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LongText Report for: 7dwc-pdb

Name Class
7dwc-pdb
HEADER    HYDROLASE                               17-JAN-21   7DWC              
TITLE     BACTEROIDES THETAIOTAOMICRON VPI5482 BTAXE1                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: XYLANASE;                                                  
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON (STRAIN ATCC 29148 
SOURCE   3 / DSM 2079 / NCTC 10582 / E50 / VPI-5482);                           
SOURCE   4 ORGANISM_TAXID: 226186;                                              
SOURCE   5 GENE: BT_1008;                                                       
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008                                      
KEYWDS    BACTEROIDES THETAIOTAOMICRON VPI5482, ACETYL XYLAN ESTERASE, GUT      
KEYWDS   2 BACTERIA-DERIVED, HYDROLASE                                          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    L.Y.WANG,Y.L.WANG,F.J.XIN,L.C.SUN                                     
REVDAT   1   19-JAN-22 7DWC    0                                                
JRNL        AUTH   L.Y.WANG,Y.L.WANG,F.J.XIN,L.C.SUN                            
JRNL        TITL   RATIONAL DESIGN OF A NOVEL ACETYL XYLAN ESTERASE FROM        
JRNL        TITL 2 BACTEROIDES THETAIOTAOMICRON VPI5482 FOR EXPANDED SUBSTRATE  
JRNL        TITL 3 SPECIFICITY WITH ENHANCED ACTIVITY                           
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.12_2829                                     
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 28.07                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.380                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 83576                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.176                           
REMARK   3   R VALUE            (WORKING SET) : 0.175                           
REMARK   3   FREE R VALUE                     : 0.208                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.760                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3976                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 28.0670 -  5.4637    0.99     2921   144  0.1627 0.1887        
REMARK   3     2  5.4637 -  4.3419    0.99     2898   132  0.1307 0.1834        
REMARK   3     3  4.3419 -  3.7946    1.00     2899   163  0.1298 0.1443        
REMARK   3     4  3.7946 -  3.4483    1.00     2861   161  0.1472 0.1555        
REMARK   3     5  3.4483 -  3.2015    1.00     2890   132  0.1556 0.1806        
REMARK   3     6  3.2015 -  3.0130    1.00     2917   115  0.1719 0.2380        
REMARK   3     7  3.0130 -  2.8623    1.00     2865   149  0.1794 0.2082        
REMARK   3     8  2.8623 -  2.7378    1.00     2877   134  0.1840 0.2030        
REMARK   3     9  2.7378 -  2.6325    1.00     2857   147  0.1845 0.2280        
REMARK   3    10  2.6325 -  2.5417    1.00     2877   160  0.1860 0.2415        
REMARK   3    11  2.5417 -  2.4623    1.00     2850   136  0.1792 0.2196        
REMARK   3    12  2.4623 -  2.3919    1.00     2894   127  0.1840 0.2056        
REMARK   3    13  2.3919 -  2.3290    1.00     2845   151  0.1740 0.2290        
REMARK   3    14  2.3290 -  2.2722    0.99     2857   158  0.1724 0.2217        
REMARK   3    15  2.2722 -  2.2205    1.00     2854   143  0.1787 0.2119        
REMARK   3    16  2.2205 -  2.1733    0.99     2803   158  0.1886 0.2196        
REMARK   3    17  2.1733 -  2.1299    1.00     2847   153  0.1951 0.2439        
REMARK   3    18  2.1299 -  2.0897    1.00     2856   160  0.1990 0.2471        
REMARK   3    19  2.0897 -  2.0524    1.00     2860   141  0.2154 0.2831        
REMARK   3    20  2.0524 -  2.0176    1.00     2871   145  0.2246 0.2624        
REMARK   3    21  2.0176 -  1.9850    1.00     2846   138  0.2291 0.2414        
REMARK   3    22  1.9850 -  1.9545    1.00     2882   135  0.2335 0.3089        
REMARK   3    23  1.9545 -  1.9258    1.00     2855   148  0.2461 0.2718        
REMARK   3    24  1.9258 -  1.8987    0.99     2823   109  0.2643 0.3070        
REMARK   3    25  1.8987 -  1.8730    0.99     2896   131  0.2727 0.3222        
REMARK   3    26  1.8730 -  1.8487    0.99     2816   129  0.2905 0.2832        
REMARK   3    27  1.8487 -  1.8256    0.98     2835   152  0.3011 0.3362        
REMARK   3    28  1.8256 -  1.8040    0.80     2248   125  0.3018 0.3286        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.220            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.790           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 38.76                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.007           8373                                  
REMARK   3   ANGLE     :  0.891          11380                                  
REMARK   3   CHIRALITY :  0.062           1250                                  
REMARK   3   PLANARITY :  0.007           1467                                  
REMARK   3   DIHEDRAL  : 16.459           4942                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 31                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID -1 THROUGH 24 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   5.7675  10.8907  37.6821              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3878 T22:   0.6241                                     
REMARK   3      T33:   0.4738 T12:   0.0109                                     
REMARK   3      T13:  -0.1578 T23:   0.0508                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4457 L22:   2.5017                                     
REMARK   3      L33:   1.2017 L12:  -1.2504                                     
REMARK   3      L13:  -0.9276 L23:  -0.1151                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1581 S12:  -0.4630 S13:  -0.2507                       
REMARK   3      S21:   0.1473 S22:   0.1938 S23:  -0.4412                       
REMARK   3      S31:   0.0986 S32:   0.2079 S33:   0.0319                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 25 THROUGH 97 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.5171  14.8605  32.7938              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2733 T22:   0.3539                                     
REMARK   3      T33:   0.2582 T12:  -0.0099                                     
REMARK   3      T13:  -0.0609 T23:   0.0235                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0566 L22:   1.8667                                     
REMARK   3      L33:   2.3486 L12:   0.0572                                     
REMARK   3      L13:   0.9681 L23:  -0.9028                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0894 S12:  -0.2671 S13:  -0.2422                       
REMARK   3      S21:   0.2661 S22:  -0.0324 S23:  -0.2253                       
REMARK   3      S31:   0.1022 S32:   0.0086 S33:  -0.0868                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 98 THROUGH 119 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):   5.8765  23.7730  28.5381              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2504 T22:   0.5834                                     
REMARK   3      T33:   0.3183 T12:  -0.0966                                     
REMARK   3      T13:  -0.0620 T23:   0.0189                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8438 L22:   3.3997                                     
REMARK   3      L33:   3.3508 L12:  -1.6317                                     
REMARK   3      L13:  -0.7225 L23:   0.0584                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0545 S12:  -0.1552 S13:   0.0541                       
REMARK   3      S21:   0.2839 S22:   0.0140 S23:  -0.6564                       
REMARK   3      S31:  -0.3703 S32:   0.8120 S33:   0.0835                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 120 THROUGH 138 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.9339  23.9880  24.1743              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2043 T22:   0.2397                                     
REMARK   3      T33:   0.2246 T12:  -0.0003                                     
REMARK   3      T13:   0.0169 T23:  -0.0135                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1476 L22:   1.9144                                     
REMARK   3      L33:   2.5686 L12:   0.3139                                     
REMARK   3      L13:   0.3600 L23:  -0.5027                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0202 S12:  -0.0470 S13:   0.0760                       
REMARK   3      S21:   0.0865 S22:  -0.0096 S23:  -0.2296                       
REMARK   3      S31:  -0.2046 S32:   0.2357 S33:  -0.0053                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 139 THROUGH 164 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.1809  27.1146  21.9675              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2572 T22:   0.2829                                     
REMARK   3      T33:   0.2369 T12:  -0.0231                                     
REMARK   3      T13:   0.0198 T23:   0.0164                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9703 L22:   2.4067                                     
REMARK   3      L33:   2.0827 L12:  -0.4905                                     
REMARK   3      L13:   0.0939 L23:   0.5019                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0327 S12:   0.2074 S13:   0.2430                       
REMARK   3      S21:   0.0019 S22:  -0.0153 S23:  -0.1589                       
REMARK   3      S31:  -0.4047 S32:   0.0929 S33:   0.0077                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 165 THROUGH 247 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -15.2737  24.6850  21.1523              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2312 T22:   0.2625                                     
REMARK   3      T33:   0.1987 T12:   0.0149                                     
REMARK   3      T13:  -0.0057 T23:   0.0095                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2089 L22:   1.8580                                     
REMARK   3      L33:   2.8510 L12:   0.2071                                     
REMARK   3      L13:   0.5029 L23:   0.6490                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0050 S12:  -0.0184 S13:   0.1245                       
REMARK   3      S21:   0.0362 S22:  -0.0110 S23:  -0.0341                       
REMARK   3      S31:  -0.2838 S32:  -0.1761 S33:   0.0069                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 248 THROUGH 262 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.9958   8.5858  15.2253              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3490 T22:   0.2915                                     
REMARK   3      T33:   0.3278 T12:   0.0807                                     
REMARK   3      T13:  -0.0475 T23:  -0.0517                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.8582 L22:   3.5956                                     
REMARK   3      L33:   6.7150 L12:   1.0872                                     
REMARK   3      L13:  -0.8631 L23:   0.0019                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0063 S12:   0.4429 S13:  -0.5527                       
REMARK   3      S21:  -0.4678 S22:   0.1446 S23:  -0.3697                       
REMARK   3      S31:   0.8434 S32:   0.3376 S33:  -0.0842                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID -1 THROUGH 24 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  18.3878   9.9764   0.7755              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2672 T22:   0.5939                                     
REMARK   3      T33:   0.3382 T12:   0.0005                                     
REMARK   3      T13:  -0.0699 T23:   0.0682                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4882 L22:   2.0721                                     
REMARK   3      L33:   2.1604 L12:  -1.2272                                     
REMARK   3      L13:  -0.5745 L23:  -0.6206                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0613 S12:  -0.4523 S13:  -0.2444                       
REMARK   3      S21:   0.3311 S22:  -0.1027 S23:  -0.1815                       
REMARK   3      S31:   0.1607 S32:  -0.1125 S33:   0.1593                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 25 THROUGH 43 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  11.0373  12.6527   2.7121              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3288 T22:   0.7492                                     
REMARK   3      T33:   0.2924 T12:  -0.0673                                     
REMARK   3      T13:  -0.0378 T23:   0.0717                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2060 L22:   2.9658                                     
REMARK   3      L33:   3.4864 L12:   0.6429                                     
REMARK   3      L13:  -0.1368 L23:   0.2882                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2926 S12:  -0.7823 S13:  -0.1843                       
REMARK   3      S21:   0.5305 S22:  -0.2921 S23:   0.0371                       
REMARK   3      S31:   0.3082 S32:  -0.3966 S33:  -0.0194                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 44 THROUGH 56 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  16.8286  10.0383 -12.2364              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2758 T22:   0.4408                                     
REMARK   3      T33:   0.3013 T12:   0.0160                                     
REMARK   3      T13:  -0.0381 T23:   0.0193                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5718 L22:   1.5105                                     
REMARK   3      L33:   3.7502 L12:  -0.3141                                     
REMARK   3      L13:  -0.8454 L23:   0.7202                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1523 S12:  -0.2269 S13:  -0.3717                       
REMARK   3      S21:  -0.0187 S22:   0.0597 S23:  -0.0790                       
REMARK   3      S31:   0.5797 S32:   0.1173 S33:  -0.0459                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 57 THROUGH 97 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   7.1724  16.6962  -5.6097              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2093 T22:   0.4881                                     
REMARK   3      T33:   0.2362 T12:  -0.0012                                     
REMARK   3      T13:  -0.0163 T23:  -0.0094                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3577 L22:   1.9509                                     
REMARK   3      L33:   1.2805 L12:   0.1094                                     
REMARK   3      L13:   0.3272 L23:  -0.0819                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0378 S12:  -0.5113 S13:   0.0345                       
REMARK   3      S21:   0.2498 S22:   0.0084 S23:  -0.0166                       
REMARK   3      S31:   0.0691 S32:  -0.3156 S33:   0.0246                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 98 THROUGH 119 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  19.9885  22.3031  -9.1769              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1793 T22:   0.4530                                     
REMARK   3      T33:   0.2269 T12:  -0.0211                                     
REMARK   3      T13:  -0.0162 T23:   0.0001                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5742 L22:   2.5224                                     
REMARK   3      L33:   1.8245 L12:  -1.3358                                     
REMARK   3      L13:  -0.5528 L23:   0.4642                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0296 S12:  -0.0295 S13:   0.0110                       
REMARK   3      S21:  -0.0700 S22:  -0.0141 S23:  -0.2070                       
REMARK   3      S31:  -0.0765 S32:   0.3840 S33:   0.0447                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 120 THROUGH 138 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   8.4044  23.3037 -13.8393              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2019 T22:   0.3802                                     
REMARK   3      T33:   0.2278 T12:   0.0024                                     
REMARK   3      T13:  -0.0243 T23:  -0.0145                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9421 L22:   1.2054                                     
REMARK   3      L33:   1.7538 L12:  -0.1540                                     
REMARK   3      L13:  -0.6324 L23:  -0.4212                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0527 S12:  -0.2603 S13:  -0.0433                       
REMARK   3      S21:   0.0217 S22:  -0.0770 S23:   0.0620                       
REMARK   3      S31:  -0.1561 S32:   0.2904 S33:   0.0875                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 139 THROUGH 164 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   5.2822  26.6492 -16.2859              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2521 T22:   0.3933                                     
REMARK   3      T33:   0.2434 T12:   0.0184                                     
REMARK   3      T13:  -0.0348 T23:  -0.0106                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3402 L22:   1.8906                                     
REMARK   3      L33:   1.4078 L12:   0.1339                                     
REMARK   3      L13:  -0.2730 L23:  -0.0185                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0237 S12:   0.0486 S13:   0.2077                       
REMARK   3      S21:  -0.0573 S22:  -0.1265 S23:  -0.0941                       
REMARK   3      S31:  -0.2844 S32:  -0.1864 S33:   0.1292                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 165 THROUGH 184 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.8072  37.3233  -8.0562              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4443 T22:   0.6260                                     
REMARK   3      T33:   0.4655 T12:   0.1539                                     
REMARK   3      T13:  -0.1048 T23:  -0.1825                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3007 L22:   1.2648                                     
REMARK   3      L33:   3.3576 L12:   0.1125                                     
REMARK   3      L13:   0.4123 L23:   1.2342                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3240 S12:  -0.7192 S13:   0.9064                       
REMARK   3      S21:  -0.0913 S22:  -0.1409 S23:   0.3384                       
REMARK   3      S31:  -0.8671 S32:  -0.5499 S33:   0.2070                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 185 THROUGH 247 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.5942  20.2171 -20.5614              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1581 T22:   0.3308                                     
REMARK   3      T33:   0.1684 T12:   0.0244                                     
REMARK   3      T13:   0.0032 T23:  -0.0167                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3551 L22:   1.5606                                     
REMARK   3      L33:   1.7750 L12:   0.3995                                     
REMARK   3      L13:   1.1776 L23:   0.5080                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0730 S12:  -0.1046 S13:  -0.0650                       
REMARK   3      S21:  -0.0722 S22:   0.0521 S23:   0.0723                       
REMARK   3      S31:  -0.0861 S32:  -0.1650 S33:   0.0535                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 248 THROUGH 262 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   4.9727   7.6248 -21.7865              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2875 T22:   0.3435                                     
REMARK   3      T33:   0.2802 T12:   0.0700                                     
REMARK   3      T13:  -0.0096 T23:  -0.0166                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.1488 L22:   2.8699                                     
REMARK   3      L33:   6.6246 L12:   0.3856                                     
REMARK   3      L13:  -0.3346 L23:   0.3770                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1739 S12:   0.1081 S13:  -0.4559                       
REMARK   3      S21:  -0.2545 S22:   0.0618 S23:  -0.2617                       
REMARK   3      S31:   0.7016 S32:   0.4031 S33:  -0.1759                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID -1 THROUGH 24 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -31.4501  -3.7562 -14.1878              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6073 T22:   0.5320                                     
REMARK   3      T33:   0.5684 T12:   0.0836                                     
REMARK   3      T13:  -0.2172 T23:  -0.1758                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3439 L22:   4.4844                                     
REMARK   3      L33:   1.8205 L12:   0.2834                                     
REMARK   3      L13:  -1.5564 L23:  -0.4516                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3145 S12:   0.5361 S13:  -0.5692                       
REMARK   3      S21:  -0.3151 S22:   0.0811 S23:   0.0092                       
REMARK   3      S31:   0.7879 S32:   0.0960 S33:  -0.2900                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 25 THROUGH 43 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -26.1059   1.8496 -16.4223              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3315 T22:   0.6072                                     
REMARK   3      T33:   0.3687 T12:   0.0763                                     
REMARK   3      T13:  -0.0942 T23:  -0.1805                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6450 L22:   2.4024                                     
REMARK   3      L33:   3.3753 L12:  -0.8082                                     
REMARK   3      L13:   0.6297 L23:   0.6220                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3405 S12:   0.6297 S13:  -0.3524                       
REMARK   3      S21:  -0.3204 S22:   0.2464 S23:  -0.3340                       
REMARK   3      S31:   0.3324 S32:   0.6921 S33:  -0.3416                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 44 THROUGH 56 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -30.8524  -1.7914  -0.9345              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5166 T22:   0.2969                                     
REMARK   3      T33:   0.4454 T12:  -0.0264                                     
REMARK   3      T13:  -0.2080 T23:  -0.0015                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5983 L22:   3.1429                                     
REMARK   3      L33:   2.6534 L12:   1.0999                                     
REMARK   3      L13:  -0.7201 L23:  -0.7511                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4068 S12:   0.0344 S13:  -0.7785                       
REMARK   3      S21:   0.4918 S22:   0.0216 S23:  -0.1610                       
REMARK   3      S31:   0.9486 S32:   0.3308 S33:  -0.2662                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 57 THROUGH 97 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -25.1672   8.3441  -9.2490              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2313 T22:   0.4250                                     
REMARK   3      T33:   0.2455 T12:   0.0163                                     
REMARK   3      T13:  -0.0206 T23:  -0.0747                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7823 L22:   2.3966                                     
REMARK   3      L33:   1.9149 L12:   0.0876                                     
REMARK   3      L13:   1.0684 L23:   0.6593                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1837 S12:   0.3356 S13:  -0.2710                       
REMARK   3      S21:  -0.0764 S22:   0.0202 S23:  -0.1813                       
REMARK   3      S31:   0.1265 S32:   0.4907 S33:  -0.2295                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 98 THROUGH 119 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -39.0220   7.8504  -6.3140              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2653 T22:   0.4480                                     
REMARK   3      T33:   0.2968 T12:  -0.0249                                     
REMARK   3      T13:  -0.0556 T23:  -0.0303                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7801 L22:   5.0858                                     
REMARK   3      L33:   2.2724 L12:   1.7422                                     
REMARK   3      L13:  -0.9090 L23:  -2.0292                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0558 S12:   0.1848 S13:  -0.1742                       
REMARK   3      S21:  -0.1682 S22:  -0.0386 S23:   0.2165                       
REMARK   3      S31:   0.1680 S32:  -0.3409 S33:  -0.2213                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 120 THROUGH 164 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -29.4130  17.8593  -1.1496              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1776 T22:   0.3314                                     
REMARK   3      T33:   0.1652 T12:   0.0022                                     
REMARK   3      T13:  -0.0204 T23:  -0.0009                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1730 L22:   1.8123                                     
REMARK   3      L33:   2.1780 L12:  -0.2006                                     
REMARK   3      L13:   0.1362 L23:   0.2129                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0651 S12:  -0.0564 S13:  -0.0998                       
REMARK   3      S21:   0.0113 S22:   0.0164 S23:   0.0475                       
REMARK   3      S31:  -0.2322 S32:   0.0035 S33:   0.0353                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 165 THROUGH 184 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -28.3300  30.2659 -10.2825              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5306 T22:   0.3995                                     
REMARK   3      T33:   0.2469 T12:  -0.0570                                     
REMARK   3      T13:  -0.0546 T23:   0.0722                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4492 L22:   2.8863                                     
REMARK   3      L33:   4.1373 L12:   0.5826                                     
REMARK   3      L13:   0.1127 L23:   0.4658                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2850 S12:   0.3017 S13:   0.3581                       
REMARK   3      S21:  -0.2659 S22:   0.0439 S23:   0.1279                       
REMARK   3      S31:  -0.9352 S32:   0.1715 S33:   0.1163                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 185 THROUGH 232 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -24.0262  20.1706   6.3128              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2440 T22:   0.3288                                     
REMARK   3      T33:   0.1772 T12:  -0.0089                                     
REMARK   3      T13:   0.0060 T23:   0.0011                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9175 L22:   1.4918                                     
REMARK   3      L33:   2.3190 L12:   0.0004                                     
REMARK   3      L13:   1.2218 L23:   0.1295                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0832 S12:   0.0067 S13:   0.0406                       
REMARK   3      S21:  -0.0361 S22:   0.0747 S23:  -0.0031                       
REMARK   3      S31:  -0.3432 S32:  -0.0147 S33:  -0.0283                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 233 THROUGH 262 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -15.6957   6.9923   4.0227              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2877 T22:   0.4380                                     
REMARK   3      T33:   0.3246 T12:   0.0529                                     
REMARK   3      T13:  -0.0697 T23:  -0.0808                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2594 L22:   2.2764                                     
REMARK   3      L33:   3.1606 L12:   0.8093                                     
REMARK   3      L13:   0.3427 L23:   0.5635                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2113 S12:   0.1898 S13:  -0.2784                       
REMARK   3      S21:   0.1313 S22:   0.1711 S23:  -0.2651                       
REMARK   3      S31:   0.3730 S32:   0.5938 S33:  -0.3025                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 1 THROUGH 24 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -48.0653  -2.4876  24.4126              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6694 T22:   0.4643                                     
REMARK   3      T33:   0.4836 T12:  -0.1291                                     
REMARK   3      T13:  -0.1017 T23:  -0.1206                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8259 L22:   4.6329                                     
REMARK   3      L33:   2.6695 L12:  -0.1315                                     
REMARK   3      L13:  -0.6657 L23:  -0.4314                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0438 S12:   0.6143 S13:  -0.4915                       
REMARK   3      S21:  -0.7874 S22:   0.0058 S23:   0.5217                       
REMARK   3      S31:   0.9833 S32:  -0.3861 S33:  -0.1129                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 25 THROUGH 97 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -41.2302   5.0484  29.2318              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3733 T22:   0.4209                                     
REMARK   3      T33:   0.2896 T12:  -0.0751                                     
REMARK   3      T13:  -0.0539 T23:   0.0074                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8621 L22:   2.1337                                     
REMARK   3      L33:   2.6005 L12:  -0.2094                                     
REMARK   3      L13:   0.6214 L23:   1.1045                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0175 S12:   0.0206 S13:  -0.2560                       
REMARK   3      S21:  -0.3211 S22:   0.1736 S23:   0.1218                       
REMARK   3      S31:   0.4040 S32:  -0.1173 S33:  -0.1715                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 98 THROUGH 119 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -53.7595   9.2365  32.3736              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3953 T22:   0.6280                                     
REMARK   3      T33:   0.3925 T12:  -0.0370                                     
REMARK   3      T13:  -0.0866 T23:  -0.0100                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2839 L22:   3.9553                                     
REMARK   3      L33:   2.9256 L12:   1.8852                                     
REMARK   3      L13:  -1.7594 L23:  -1.2464                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2565 S12:   0.0090 S13:  -0.2343                       
REMARK   3      S21:  -0.0403 S22:  -0.0606 S23:   0.1850                       
REMARK   3      S31:   0.0059 S32:  -0.6193 S33:   0.3342                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 120 THROUGH 247 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -38.2016  19.8333  38.0423              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2185 T22:   0.3566                                     
REMARK   3      T33:   0.1729 T12:  -0.0047                                     
REMARK   3      T13:  -0.0212 T23:   0.0129                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8169 L22:   1.9498                                     
REMARK   3      L33:   2.3565 L12:   0.1763                                     
REMARK   3      L13:   0.5116 L23:   0.3761                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0978 S12:  -0.0693 S13:   0.1539                       
REMARK   3      S21:  -0.2020 S22:   0.0760 S23:   0.1168                       
REMARK   3      S31:  -0.1868 S32:  -0.1612 S33:   0.0743                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 248 THROUGH 262 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -35.2366   4.3832  47.6059              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3837 T22:   0.3941                                     
REMARK   3      T33:   0.2444 T12:  -0.0165                                     
REMARK   3      T13:  -0.0475 T23:   0.0617                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4684 L22:   3.2344                                     
REMARK   3      L33:   4.9564 L12:   0.7186                                     
REMARK   3      L13:  -1.5339 L23:  -0.0186                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2433 S12:  -0.6385 S13:  -0.3943                       
REMARK   3      S21:   0.0599 S22:   0.2723 S23:   0.0277                       
REMARK   3      S31:   1.0500 S32:  -0.2360 S33:  -0.0572                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : 1                                           
REMARK   3   NCS GROUP : 1                                                      
REMARK   3    NCS OPERATOR : 1                                                  
REMARK   3     REFERENCE SELECTION: (CHAIN A AND (RESID 1 OR (RESID 2 THROUGH   
REMARK   3                          3 AND (NAME N OR NAME CA OR NAME C OR       
REMARK   3                          NAME O OR NAME CB )) OR RESID 4 THROUGH     
REMARK   3                          11 OR (RESID 12 AND (NAME N OR NAME CA OR   
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          13 THROUGH 18 OR (RESID 19 AND (NAME N OR   
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 20 THROUGH 21 OR (RESID 22 AND     
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 23 THROUGH 26 OR        
REMARK   3                          (RESID 27 AND (NAME N OR NAME CA OR NAME    
REMARK   3                          C OR NAME O OR NAME CB )) OR RESID 28       
REMARK   3                          THROUGH 45 OR (RESID 46 THROUGH 47 AND      
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 48 THROUGH 78 OR        
REMARK   3                          (RESID 79 AND (NAME N OR NAME CA OR NAME    
REMARK   3                          C OR NAME O OR NAME CB )) OR RESID 80       
REMARK   3                          THROUGH 111 OR (RESID 112 AND (NAME N OR    
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 113 THROUGH 142 OR (RESID 143      
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 144 THROUGH 168    
REMARK   3                          OR (RESID 169 AND (NAME N OR NAME CA OR     
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          170 THROUGH 173 OR (RESID 174 AND (NAME N   
REMARK   3                          OR NAME CA OR NAME C OR NAME O OR NAME CB   
REMARK   3                          )) OR RESID 175 THROUGH 181 OR (RESID 182   
REMARK   3                          THROUGH 183 AND (NAME N OR NAME CA OR       
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          184 THROUGH 221 OR (RESID 222 THROUGH 223   
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 224 THROUGH 248    
REMARK   3                          OR (RESID 249 AND (NAME N OR NAME CA OR     
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          250 THROUGH 262))                           
REMARK   3     SELECTION          : (CHAIN B AND (RESID 1 OR (RESID 2 THROUGH   
REMARK   3                          3 AND (NAME N OR NAME CA OR NAME C OR       
REMARK   3                          NAME O OR NAME CB )) OR RESID 4 THROUGH     
REMARK   3                          18 OR (RESID 19 AND (NAME N OR NAME CA OR   
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          20 THROUGH 21 OR (RESID 22 AND (NAME N OR   
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 23 THROUGH 26 OR (RESID 27 AND     
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 28 THROUGH 45 OR        
REMARK   3                          (RESID 46 THROUGH 47 AND (NAME N OR NAME    
REMARK   3                          CA OR NAME C OR NAME O OR NAME CB )) OR     
REMARK   3                          RESID 48 THROUGH 74 OR (RESID 75 AND        
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 76 THROUGH 78 OR        
REMARK   3                          (RESID 79 AND (NAME N OR NAME CA OR NAME    
REMARK   3                          C OR NAME O OR NAME CB )) OR RESID 80       
REMARK   3                          THROUGH 111 OR (RESID 112 AND (NAME N OR    
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 113 THROUGH 168 OR (RESID 169      
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 170 THROUGH 173    
REMARK   3                          OR (RESID 174 AND (NAME N OR NAME CA OR     
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          175 THROUGH 181 OR (RESID 182 THROUGH 183   
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 184 THROUGH 221    
REMARK   3                          OR (RESID 222 THROUGH 223 AND (NAME N OR    
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 224 THROUGH 248 OR (RESID 249      
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 250 THROUGH 262))  
REMARK   3     ATOM PAIRS NUMBER  : 4868                                        
REMARK   3     RMSD               : NULL                                        
REMARK   3    NCS OPERATOR : 2                                                  
REMARK   3     REFERENCE SELECTION: (CHAIN A AND (RESID 1 OR (RESID 2 THROUGH   
REMARK   3                          3 AND (NAME N OR NAME CA OR NAME C OR       
REMARK   3                          NAME O OR NAME CB )) OR RESID 4 THROUGH     
REMARK   3                          11 OR (RESID 12 AND (NAME N OR NAME CA OR   
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          13 THROUGH 18 OR (RESID 19 AND (NAME N OR   
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 20 THROUGH 21 OR (RESID 22 AND     
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 23 THROUGH 26 OR        
REMARK   3                          (RESID 27 AND (NAME N OR NAME CA OR NAME    
REMARK   3                          C OR NAME O OR NAME CB )) OR RESID 28       
REMARK   3                          THROUGH 45 OR (RESID 46 THROUGH 47 AND      
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 48 THROUGH 78 OR        
REMARK   3                          (RESID 79 AND (NAME N OR NAME CA OR NAME    
REMARK   3                          C OR NAME O OR NAME CB )) OR RESID 80       
REMARK   3                          THROUGH 111 OR (RESID 112 AND (NAME N OR    
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 113 THROUGH 142 OR (RESID 143      
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 144 THROUGH 168    
REMARK   3                          OR (RESID 169 AND (NAME N OR NAME CA OR     
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          170 THROUGH 173 OR (RESID 174 AND (NAME N   
REMARK   3                          OR NAME CA OR NAME C OR NAME O OR NAME CB   
REMARK   3                          )) OR RESID 175 THROUGH 181 OR (RESID 182   
REMARK   3                          THROUGH 183 AND (NAME N OR NAME CA OR       
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          184 THROUGH 221 OR (RESID 222 THROUGH 223   
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 224 THROUGH 248    
REMARK   3                          OR (RESID 249 AND (NAME N OR NAME CA OR     
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          250 THROUGH 262))                           
REMARK   3     SELECTION          : (CHAIN C AND (RESID 1 THROUGH 2 OR (RESID   
REMARK   3                          3 AND (NAME N OR NAME CA OR NAME C OR       
REMARK   3                          NAME O OR NAME CB )) OR RESID 4 THROUGH     
REMARK   3                          18 OR (RESID 19 AND (NAME N OR NAME CA OR   
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          20 THROUGH 21 OR (RESID 22 AND (NAME N OR   
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 23 THROUGH 45 OR (RESID 46         
REMARK   3                          THROUGH 47 AND (NAME N OR NAME CA OR NAME   
REMARK   3                          C OR NAME O OR NAME CB )) OR RESID 48       
REMARK   3                          THROUGH 74 OR (RESID 75 AND (NAME N OR      
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 76 THROUGH 78 OR (RESID 79 AND     
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 80 THROUGH 142 OR       
REMARK   3                          (RESID 143 AND (NAME N OR NAME CA OR NAME   
REMARK   3                          C OR NAME O OR NAME CB )) OR RESID 144      
REMARK   3                          THROUGH 181 OR (RESID 182 THROUGH 183 AND   
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 184 THROUGH 221 OR      
REMARK   3                          (RESID 222 THROUGH 223 AND (NAME N OR       
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 224 THROUGH 262))                  
REMARK   3     ATOM PAIRS NUMBER  : 4868                                        
REMARK   3     RMSD               : NULL                                        
REMARK   3    NCS OPERATOR : 3                                                  
REMARK   3     REFERENCE SELECTION: (CHAIN A AND (RESID 1 OR (RESID 2 THROUGH   
REMARK   3                          3 AND (NAME N OR NAME CA OR NAME C OR       
REMARK   3                          NAME O OR NAME CB )) OR RESID 4 THROUGH     
REMARK   3                          11 OR (RESID 12 AND (NAME N OR NAME CA OR   
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          13 THROUGH 18 OR (RESID 19 AND (NAME N OR   
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 20 THROUGH 21 OR (RESID 22 AND     
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 23 THROUGH 26 OR        
REMARK   3                          (RESID 27 AND (NAME N OR NAME CA OR NAME    
REMARK   3                          C OR NAME O OR NAME CB )) OR RESID 28       
REMARK   3                          THROUGH 45 OR (RESID 46 THROUGH 47 AND      
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 48 THROUGH 78 OR        
REMARK   3                          (RESID 79 AND (NAME N OR NAME CA OR NAME    
REMARK   3                          C OR NAME O OR NAME CB )) OR RESID 80       
REMARK   3                          THROUGH 111 OR (RESID 112 AND (NAME N OR    
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 113 THROUGH 142 OR (RESID 143      
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 144 THROUGH 168    
REMARK   3                          OR (RESID 169 AND (NAME N OR NAME CA OR     
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          170 THROUGH 173 OR (RESID 174 AND (NAME N   
REMARK   3                          OR NAME CA OR NAME C OR NAME O OR NAME CB   
REMARK   3                          )) OR RESID 175 THROUGH 181 OR (RESID 182   
REMARK   3                          THROUGH 183 AND (NAME N OR NAME CA OR       
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          184 THROUGH 221 OR (RESID 222 THROUGH 223   
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 224 THROUGH 248    
REMARK   3                          OR (RESID 249 AND (NAME N OR NAME CA OR     
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          250 THROUGH 262))                           
REMARK   3     SELECTION          : (CHAIN D AND (RESID 1 THROUGH 26 OR         
REMARK   3                          (RESID 27 AND (NAME N OR NAME CA OR NAME    
REMARK   3                          C OR NAME O OR NAME CB )) OR RESID 28       
REMARK   3                          THROUGH 111 OR (RESID 112 AND (NAME N OR    
REMARK   3                          NAME CA OR NAME C OR NAME O OR NAME CB ))   
REMARK   3                          OR RESID 113 THROUGH 173 OR (RESID 174      
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 175 THROUGH 248    
REMARK   3                          OR (RESID 249 AND (NAME N OR NAME CA OR     
REMARK   3                          NAME C OR NAME O OR NAME CB )) OR RESID     
REMARK   3                          250 THROUGH 262))                           
REMARK   3     ATOM PAIRS NUMBER  : 4868                                        
REMARK   3     RMSD               : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 7DWC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 26-JAN-21.                  
REMARK 100 THE DEPOSITION ID IS D_1300020291.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 11-SEP-20                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL19U1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97852                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 S 6M              
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 83576                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 6.300                              
REMARK 200  R MERGE                    (I) : 0.10000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : 5.6000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.93                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 5.70                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.57400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHENIX                                                
REMARK 200 STARTING MODEL: 6A6O                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 37.82                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.98                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG 3350, 0.1M NACL, 0.1M TRIS PH    
REMARK 280  7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.15K             
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       41.29000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3, 4                                              
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 4                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     SER D    -1                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     ARG A  47    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A  75    CG   CD   OE1  OE2                                  
REMARK 470     ASP B  12    CG   OD1  OD2                                       
REMARK 470     ARG B  47    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP B 143    CG   OD1  OD2                                       
REMARK 470     SER C  -1    OG                                                  
REMARK 470     LYS C   2    CG   CD   CE   NZ                                   
REMARK 470     ASP C  12    CG   OD1  OD2                                       
REMARK 470     GLU C  27    CG   CD   OE1  OE2                                  
REMARK 470     GLU C 169    CG   CD   OE1  OE2                                  
REMARK 470     GLN C 183    CG   CD   OE1  NE2                                  
REMARK 470     GLN C 249    CG   CD   OE1  NE2                                  
REMARK 470     HIS D   0    CG   ND1  CD2  CE1  NE2                             
REMARK 470     LYS D   2    CG   CD   CE   NZ                                   
REMARK 470     LYS D   3    CG   CD   CE   NZ                                   
REMARK 470     ASP D  12    CG   OD1  OD2                                       
REMARK 470     ASP D  19    CG   OD1  OD2                                       
REMARK 470     LYS D  22    CG   CD   CE   NZ                                   
REMARK 470     ASP D  46    CG   OD1  OD2                                       
REMARK 470     ARG D  47    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU D  75    CG   CD   OE1  OE2                                  
REMARK 470     LYS D  79    CG   CD   CE   NZ                                   
REMARK 470     ASP D 143    CG   OD1  OD2                                       
REMARK 470     GLU D 169    CG   CD   OE1  OE2                                  
REMARK 470     GLU D 182    CG   CD   OE1  OE2                                  
REMARK 470     GLN D 183    CG   CD   OE1  NE2                                  
REMARK 470     LYS D 222    CG   CD   CE   NZ                                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    LYS A   2      -64.95    -95.16                                   
REMARK 500    GLU A  67      -73.05    -96.32                                   
REMARK 500    SER A 127     -129.69     59.11                                   
REMARK 500    THR A 138      -50.55   -129.15                                   
REMARK 500    TYR A 153       55.89     35.38                                   
REMARK 500    LYS B   2      -65.61    -90.78                                   
REMARK 500    GLU B  67      -71.37    -96.18                                   
REMARK 500    SER B 127     -127.72     58.16                                   
REMARK 500    THR B 138      -52.16   -132.06                                   
REMARK 500    TYR B 153       56.45     33.79                                   
REMARK 500    LYS C   2      -72.79    -99.04                                   
REMARK 500    GLU C  67      -72.79    -96.21                                   
REMARK 500    SER C 127     -128.85     55.24                                   
REMARK 500    THR C 138      -54.31   -129.77                                   
REMARK 500    TYR C 153       56.38     35.03                                   
REMARK 500    LYS D   2      -66.97    -92.34                                   
REMARK 500    GLU D  67      -72.27    -97.60                                   
REMARK 500    SER D 127     -130.04     57.54                                   
REMARK 500    THR D 138      -51.67   -128.90                                   
REMARK 500    TYR D 153       56.54     34.26                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 439        DISTANCE =  5.83 ANGSTROMS                       
DBREF  7DWC A    1   262  UNP    Q8A909   Q8A909_BACTN     1    262             
DBREF  7DWC B    1   262  UNP    Q8A909   Q8A909_BACTN     1    262             
DBREF  7DWC C    1   262  UNP    Q8A909   Q8A909_BACTN     1    262             
DBREF  7DWC D    1   262  UNP    Q8A909   Q8A909_BACTN     1    262             
SEQADV 7DWC SER A   -1  UNP  Q8A909              EXPRESSION TAG                 
SEQADV 7DWC HIS A    0  UNP  Q8A909              EXPRESSION TAG                 
SEQADV 7DWC SER B   -1  UNP  Q8A909              EXPRESSION TAG                 
SEQADV 7DWC HIS B    0  UNP  Q8A909              EXPRESSION TAG                 
SEQADV 7DWC SER C   -1  UNP  Q8A909              EXPRESSION TAG                 
SEQADV 7DWC HIS C    0  UNP  Q8A909              EXPRESSION TAG                 
SEQADV 7DWC SER D   -1  UNP  Q8A909              EXPRESSION TAG                 
SEQADV 7DWC HIS D    0  UNP  Q8A909              EXPRESSION TAG                 
SEQRES   1 A  264  SER HIS MET LYS LYS LEU ILE CYS ILE SER LEU TYR GLU          
SEQRES   2 A  264  ASP LEU SER MET THR THR TYR ASP LEU SER LYS VAL ASP          
SEQRES   3 A  264  ASN ALA GLU LEU ILE GLY ILE VAL GLU ASN ALA SER GLU          
SEQRES   4 A  264  GLY THR LEU PHE VAL PHE THR CYS ASP ARG PRO ASN GLY          
SEQRES   5 A  264  SER SER VAL ILE MET CYS PRO GLY GLY GLY PHE LEU LYS          
SEQRES   6 A  264  THR ASN LEU GLU ASN GLU GLY ILE ASP PHE ALA GLU TRP          
SEQRES   7 A  264  PHE THR LYS LEU GLY ILE THR TYR ILE VAL PHE LYS TYR          
SEQRES   8 A  264  ARG MET PRO HIS GLY ASN PRO ASP VAL PRO GLU GLN ASP          
SEQRES   9 A  264  THR ARG LEU ALA LEU LYS VAL VAL ARG GLU LYS PHE PRO          
SEQRES  10 A  264  GLU PHE CYS ASP LYS LEU GLY VAL MET GLY ALA SER ILE          
SEQRES  11 A  264  GLY GLY TYR LEU ALA THR PHE SER ALA THR LEU LEU PRO          
SEQRES  12 A  264  ASP ASP GLU LYS PRO ASP PHE GLN ILE LEU MET TYR PRO          
SEQRES  13 A  264  VAL VAL SER VAL ASP ASP ARG LEU THR HIS PHE PRO CYS          
SEQRES  14 A  264  ARG GLU ARG MET PHE GLY HIS SER TYR SER PRO ASP LYS          
SEQRES  15 A  264  MET GLU GLN TYR SER PRO ILE GLU HIS ILE THR SER GLY          
SEQRES  16 A  264  THR PRO ALA ALA PHE ILE VAL ALA ALA ALA ASP ASP ALA          
SEQRES  17 A  264  VAL VAL SER PRO LEU ASN GLY ILE MET TYR ALA ALA ARG          
SEQRES  18 A  264  LEU GLN LYS ALA ASP ILE PRO ILE SER LEU HIS ILE TYR          
SEQRES  19 A  264  PRO ALA GLY GLY HIS GLY PHE GLY TYR ASN ASP SER PHE          
SEQRES  20 A  264  VAL TYR LYS GLN GLU TRP LEU GLN GLU LEU GLY GLU TRP          
SEQRES  21 A  264  LEU ALA LYS LEU                                              
SEQRES   1 B  264  SER HIS MET LYS LYS LEU ILE CYS ILE SER LEU TYR GLU          
SEQRES   2 B  264  ASP LEU SER MET THR THR TYR ASP LEU SER LYS VAL ASP          
SEQRES   3 B  264  ASN ALA GLU LEU ILE GLY ILE VAL GLU ASN ALA SER GLU          
SEQRES   4 B  264  GLY THR LEU PHE VAL PHE THR CYS ASP ARG PRO ASN GLY          
SEQRES   5 B  264  SER SER VAL ILE MET CYS PRO GLY GLY GLY PHE LEU LYS          
SEQRES   6 B  264  THR ASN LEU GLU ASN GLU GLY ILE ASP PHE ALA GLU TRP          
SEQRES   7 B  264  PHE THR LYS LEU GLY ILE THR TYR ILE VAL PHE LYS TYR          
SEQRES   8 B  264  ARG MET PRO HIS GLY ASN PRO ASP VAL PRO GLU GLN ASP          
SEQRES   9 B  264  THR ARG LEU ALA LEU LYS VAL VAL ARG GLU LYS PHE PRO          
SEQRES  10 B  264  GLU PHE CYS ASP LYS LEU GLY VAL MET GLY ALA SER ILE          
SEQRES  11 B  264  GLY GLY TYR LEU ALA THR PHE SER ALA THR LEU LEU PRO          
SEQRES  12 B  264  ASP ASP GLU LYS PRO ASP PHE GLN ILE LEU MET TYR PRO          
SEQRES  13 B  264  VAL VAL SER VAL ASP ASP ARG LEU THR HIS PHE PRO CYS          
SEQRES  14 B  264  ARG GLU ARG MET PHE GLY HIS SER TYR SER PRO ASP LYS          
SEQRES  15 B  264  MET GLU GLN TYR SER PRO ILE GLU HIS ILE THR SER GLY          
SEQRES  16 B  264  THR PRO ALA ALA PHE ILE VAL ALA ALA ALA ASP ASP ALA          
SEQRES  17 B  264  VAL VAL SER PRO LEU ASN GLY ILE MET TYR ALA ALA ARG          
SEQRES  18 B  264  LEU GLN LYS ALA ASP ILE PRO ILE SER LEU HIS ILE TYR          
SEQRES  19 B  264  PRO ALA GLY GLY HIS GLY PHE GLY TYR ASN ASP SER PHE          
SEQRES  20 B  264  VAL TYR LYS GLN GLU TRP LEU GLN GLU LEU GLY GLU TRP          
SEQRES  21 B  264  LEU ALA LYS LEU                                              
SEQRES   1 C  264  SER HIS MET LYS LYS LEU ILE CYS ILE SER LEU TYR GLU          
SEQRES   2 C  264  ASP LEU SER MET THR THR TYR ASP LEU SER LYS VAL ASP          
SEQRES   3 C  264  ASN ALA GLU LEU ILE GLY ILE VAL GLU ASN ALA SER GLU          
SEQRES   4 C  264  GLY THR LEU PHE VAL PHE THR CYS ASP ARG PRO ASN GLY          
SEQRES   5 C  264  SER SER VAL ILE MET CYS PRO GLY GLY GLY PHE LEU LYS          
SEQRES   6 C  264  THR ASN LEU GLU ASN GLU GLY ILE ASP PHE ALA GLU TRP          
SEQRES   7 C  264  PHE THR LYS LEU GLY ILE THR TYR ILE VAL PHE LYS TYR          
SEQRES   8 C  264  ARG MET PRO HIS GLY ASN PRO ASP VAL PRO GLU GLN ASP          
SEQRES   9 C  264  THR ARG LEU ALA LEU LYS VAL VAL ARG GLU LYS PHE PRO          
SEQRES  10 C  264  GLU PHE CYS ASP LYS LEU GLY VAL MET GLY ALA SER ILE          
SEQRES  11 C  264  GLY GLY TYR LEU ALA THR PHE SER ALA THR LEU LEU PRO          
SEQRES  12 C  264  ASP ASP GLU LYS PRO ASP PHE GLN ILE LEU MET TYR PRO          
SEQRES  13 C  264  VAL VAL SER VAL ASP ASP ARG LEU THR HIS PHE PRO CYS          
SEQRES  14 C  264  ARG GLU ARG MET PHE GLY HIS SER TYR SER PRO ASP LYS          
SEQRES  15 C  264  MET GLU GLN TYR SER PRO ILE GLU HIS ILE THR SER GLY          
SEQRES  16 C  264  THR PRO ALA ALA PHE ILE VAL ALA ALA ALA ASP ASP ALA          
SEQRES  17 C  264  VAL VAL SER PRO LEU ASN GLY ILE MET TYR ALA ALA ARG          
SEQRES  18 C  264  LEU GLN LYS ALA ASP ILE PRO ILE SER LEU HIS ILE TYR          
SEQRES  19 C  264  PRO ALA GLY GLY HIS GLY PHE GLY TYR ASN ASP SER PHE          
SEQRES  20 C  264  VAL TYR LYS GLN GLU TRP LEU GLN GLU LEU GLY GLU TRP          
SEQRES  21 C  264  LEU ALA LYS LEU                                              
SEQRES   1 D  264  SER HIS MET LYS LYS LEU ILE CYS ILE SER LEU TYR GLU          
SEQRES   2 D  264  ASP LEU SER MET THR THR TYR ASP LEU SER LYS VAL ASP          
SEQRES   3 D  264  ASN ALA GLU LEU ILE GLY ILE VAL GLU ASN ALA SER GLU          
SEQRES   4 D  264  GLY THR LEU PHE VAL PHE THR CYS ASP ARG PRO ASN GLY          
SEQRES   5 D  264  SER SER VAL ILE MET CYS PRO GLY GLY GLY PHE LEU LYS          
SEQRES   6 D  264  THR ASN LEU GLU ASN GLU GLY ILE ASP PHE ALA GLU TRP          
SEQRES   7 D  264  PHE THR LYS LEU GLY ILE THR TYR ILE VAL PHE LYS TYR          
SEQRES   8 D  264  ARG MET PRO HIS GLY ASN PRO ASP VAL PRO GLU GLN ASP          
SEQRES   9 D  264  THR ARG LEU ALA LEU LYS VAL VAL ARG GLU LYS PHE PRO          
SEQRES  10 D  264  GLU PHE CYS ASP LYS LEU GLY VAL MET GLY ALA SER ILE          
SEQRES  11 D  264  GLY GLY TYR LEU ALA THR PHE SER ALA THR LEU LEU PRO          
SEQRES  12 D  264  ASP ASP GLU LYS PRO ASP PHE GLN ILE LEU MET TYR PRO          
SEQRES  13 D  264  VAL VAL SER VAL ASP ASP ARG LEU THR HIS PHE PRO CYS          
SEQRES  14 D  264  ARG GLU ARG MET PHE GLY HIS SER TYR SER PRO ASP LYS          
SEQRES  15 D  264  MET GLU GLN TYR SER PRO ILE GLU HIS ILE THR SER GLY          
SEQRES  16 D  264  THR PRO ALA ALA PHE ILE VAL ALA ALA ALA ASP ASP ALA          
SEQRES  17 D  264  VAL VAL SER PRO LEU ASN GLY ILE MET TYR ALA ALA ARG          
SEQRES  18 D  264  LEU GLN LYS ALA ASP ILE PRO ILE SER LEU HIS ILE TYR          
SEQRES  19 D  264  PRO ALA GLY GLY HIS GLY PHE GLY TYR ASN ASP SER PHE          
SEQRES  20 D  264  VAL TYR LYS GLN GLU TRP LEU GLN GLU LEU GLY GLU TRP          
SEQRES  21 D  264  LEU ALA LYS LEU                                              
FORMUL   5  HOH   *572(H2 O)                                                    
HELIX    1 AA1 SER A   21  VAL A   23  5                                   3    
HELIX    2 AA2 ASP A   24  ALA A   35  1                                  12    
HELIX    3 AA3 GLY A   70  ASP A   72  5                                   3    
HELIX    4 AA4 PHE A   73  LEU A   80  1                                   8    
HELIX    5 AA5 ASP A   97  PHE A  114  1                                  18    
HELIX    6 AA6 PRO A  115  CYS A  118  5                                   4    
HELIX    7 AA7 ILE A  128  LEU A  139  1                                  12    
HELIX    8 AA8 HIS A  164  GLY A  173  1                                  10    
HELIX    9 AA9 SER A  177  HIS A  189  5                                  13    
HELIX   10 AB1 PRO A  210  ALA A  223  1                                  14    
HELIX   11 AB2 TYR A  247  LYS A  261  1                                  15    
HELIX   12 AB3 SER B   21  VAL B   23  5                                   3    
HELIX   13 AB4 ASP B   24  ALA B   35  1                                  12    
HELIX   14 AB5 GLY B   70  ASP B   72  5                                   3    
HELIX   15 AB6 PHE B   73  LEU B   80  1                                   8    
HELIX   16 AB7 ASP B   97  PHE B  114  1                                  18    
HELIX   17 AB8 PRO B  115  CYS B  118  5                                   4    
HELIX   18 AB9 ILE B  128  ALA B  137  1                                  10    
HELIX   19 AC1 HIS B  164  GLY B  173  1                                  10    
HELIX   20 AC2 SER B  177  ILE B  190  5                                  14    
HELIX   21 AC3 PRO B  210  ALA B  223  1                                  14    
HELIX   22 AC4 TYR B  247  LYS B  261  1                                  15    
HELIX   23 AC5 SER C   21  VAL C   23  5                                   3    
HELIX   24 AC6 ASP C   24  ALA C   35  1                                  12    
HELIX   25 AC7 GLY C   70  ASP C   72  5                                   3    
HELIX   26 AC8 PHE C   73  LEU C   80  1                                   8    
HELIX   27 AC9 ASP C   97  PHE C  114  1                                  18    
HELIX   28 AD1 PRO C  115  CYS C  118  5                                   4    
HELIX   29 AD2 ILE C  128  LEU C  139  1                                  12    
HELIX   30 AD3 HIS C  164  GLY C  173  1                                  10    
HELIX   31 AD4 SER C  177  ILE C  190  5                                  14    
HELIX   32 AD5 PRO C  210  ALA C  223  1                                  14    
HELIX   33 AD6 TYR C  247  LYS C  261  1                                  15    
HELIX   34 AD7 SER D   21  VAL D   23  5                                   3    
HELIX   35 AD8 ASP D   24  ALA D   35  1                                  12    
HELIX   36 AD9 GLY D   70  ASP D   72  5                                   3    
HELIX   37 AE1 PHE D   73  LEU D   80  1                                   8    
HELIX   38 AE2 ASP D   97  PHE D  114  1                                  18    
HELIX   39 AE3 PRO D  115  CYS D  118  5                                   4    
HELIX   40 AE4 ILE D  128  LEU D  139  1                                  12    
HELIX   41 AE5 HIS D  164  GLY D  173  1                                  10    
HELIX   42 AE6 SER D  177  ILE D  190  5                                  14    
HELIX   43 AE7 PRO D  210  ALA D  223  1                                  14    
HELIX   44 AE8 TYR D  247  LYS D  261  1                                  15    
SHEET    1 AA118 MET A  15  ASP A  19  0                                        
SHEET    2 AA118 MET A   1  SER A   8 -1  N  CYS A   6   O  THR A  16           
SHEET    3 AA118 THR A  39  CYS A  45 -1  O  VAL A  42   N  ILE A   5           
SHEET    4 AA118 THR A  83  LYS A  88 -1  O  TYR A  84   N  PHE A  43           
SHEET    5 AA118 SER A  51  CYS A  56  1  N  MET A  55   O  ILE A  85           
SHEET    6 AA118 LYS A 120  ALA A 126  1  O  MET A 124   N  CYS A  56           
SHEET    7 AA118 PHE A 148  MET A 152  1  O  MET A 152   N  GLY A 125           
SHEET    8 AA118 ALA A 196  ALA A 202  1  O  PHE A 198   N  LEU A 151           
SHEET    9 AA118 ILE A 227  TYR A 232  1  O  HIS A 230   N  ILE A 199           
SHEET   10 AA118 ILE C 227  TYR C 232 -1  O  ILE C 231   N  LEU A 229           
SHEET   11 AA118 ALA C 196  ALA C 202  1  N  ILE C 199   O  SER C 228           
SHEET   12 AA118 PHE C 148  MET C 152  1  N  LEU C 151   O  PHE C 198           
SHEET   13 AA118 LYS C 120  ALA C 126  1  N  GLY C 125   O  MET C 152           
SHEET   14 AA118 SER C  51  CYS C  56  1  N  SER C  52   O  GLY C 122           
SHEET   15 AA118 THR C  83  LYS C  88  1  O  ILE C  85   N  MET C  55           
SHEET   16 AA118 THR C  39  CYS C  45 -1  N  PHE C  43   O  TYR C  84           
SHEET   17 AA118 MET C   1  SER C   8 -1  N  ILE C   5   O  VAL C  42           
SHEET   18 AA118 MET C  15  ASP C  19 -1  O  THR C  16   N  CYS C   6           
SHEET    1 AA2 9 MET B  15  ASP B  19  0                                        
SHEET    2 AA2 9 MET B   1  SER B   8 -1  N  CYS B   6   O  THR B  16           
SHEET    3 AA2 9 THR B  39  CYS B  45 -1  O  VAL B  42   N  ILE B   5           
SHEET    4 AA2 9 THR B  83  LYS B  88 -1  O  TYR B  84   N  PHE B  43           
SHEET    5 AA2 9 SER B  51  CYS B  56  1  N  MET B  55   O  ILE B  85           
SHEET    6 AA2 9 LYS B 120  ALA B 126  1  O  GLY B 122   N  SER B  52           
SHEET    7 AA2 9 PHE B 148  MET B 152  1  O  MET B 152   N  GLY B 125           
SHEET    8 AA2 9 ALA B 196  ALA B 202  1  O  PHE B 198   N  LEU B 151           
SHEET    9 AA2 9 ILE B 227  TYR B 232  1  O  SER B 228   N  ILE B 199           
SHEET    1 AA3 9 MET D  15  ASP D  19  0                                        
SHEET    2 AA3 9 LYS D   3  SER D   8 -1  N  CYS D   6   O  THR D  16           
SHEET    3 AA3 9 THR D  39  PHE D  43 -1  O  VAL D  42   N  ILE D   5           
SHEET    4 AA3 9 THR D  83  LYS D  88 -1  O  TYR D  84   N  PHE D  43           
SHEET    5 AA3 9 SER D  51  CYS D  56  1  N  MET D  55   O  ILE D  85           
SHEET    6 AA3 9 LYS D 120  ALA D 126  1  O  GLY D 122   N  SER D  52           
SHEET    7 AA3 9 PHE D 148  MET D 152  1  O  MET D 152   N  GLY D 125           
SHEET    8 AA3 9 ALA D 196  ALA D 202  1  O  PHE D 198   N  LEU D 151           
SHEET    9 AA3 9 ILE D 227  TYR D 232  1  O  SER D 228   N  ILE D 199           
CRYST1   73.796   82.580   81.534  90.00 110.17  90.00 P 1 21 1      8          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.013551  0.000000  0.004978        0.00000                         
SCALE2      0.000000  0.012109  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013066        0.00000                         
TER    2062      LEU A 262                                                      
TER    4122      LEU B 262                                                      
TER    6170      LEU C 262                                                      
TER    8177      LEU D 262                                                      
MASTER      964    0    0   44   36    0    0    6 8745    4    0   84          
END                                                                             

Send your questions or comments to :
Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
For technical information about these pages see:
ESTHER Home Page and ACEDB Home Page
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