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HEADER CELL ADHESION 22-OCT-07 3B3Q
TITLE CRYSTAL STRUCTURE OF A SYNAPTIC ADHESION COMPLEX
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: NLGN1 PROTEIN;
COMPND 3 CHAIN: A, B;
COMPND 4 FRAGMENT: LNS DOMAIN OR LG DOMAIN;
COMPND 5 ENGINEERED: YES;
COMPND 6 MOL_ID: 2;
COMPND 7 MOLECULE: NRXN1 PROTEIN;
COMPND 8 CHAIN: E, F;
COMPND 9 FRAGMENT: CHOLINESTERASE-LIKE DOMAIN;
COMPND 10 ENGINEERED: YES;
COMPND 11 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: MOUSE;
SOURCE 4 GENE: NLGN1;
SOURCE 5 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;
SOURCE 6 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PACGP67A;
SOURCE 9 MOL_ID: 2;
SOURCE 10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 11 ORGANISM_COMMON: HUMAN;
SOURCE 12 GENE: NRXN1;
SOURCE 13 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;
SOURCE 14 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 15 EXPRESSION_SYSTEM_PLASMID: PACGP67A
KEYWDS SYNAPTIC FORMATION, ADHESION, HETEROPHILIC, PROTEIN-PROTEIN
KEYWDS 2 COMPLEX, ALTERNATIVE SPLICING, CALCIUM BINDING, MEMBRANE,
KEYWDS 3 TRANSMEMBRANE, CELL ADHESION
EXPDTA X-RAY DIFFRACTION
AUTHOR X.CHEN,H.LIU,A.SHIM,P.FOCIA,X.HE
REVDAT 1 15-JAN-08 3B3Q 0
JRNL AUTH X.CHEN,H.LIU,A.H.SHIM,P.J.FOCIA,X.HE
JRNL TITL STRUCTURAL BASIS FOR SYNAPTIC ADHESION MEDIATED BY
JRNL TITL 2 NEUROLIGIN-NEUREXIN INTERACTIONS.
JRNL REF NAT.STRUCT.MOL.BIOL. V. 15 50 2008
JRNL REFN US ISSN 1545-9993
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. 2.40 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-
REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,
REMARK 3 : READ,RICE,SIMONSON,WARREN
REMARK 3
REMARK 3 REFINEMENT TARGET : ENGH & HUBER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 24.64
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.5
REMARK 3 NUMBER OF REFLECTIONS : 74475
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.242
REMARK 3 FREE R VALUE : 0.261
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : 3783
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : NULL
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.40
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.55
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.00
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL
REMARK 3 BIN R VALUE (WORKING SET) : 0.3640
REMARK 3 BIN FREE R VALUE : 0.3820
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 618
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.015
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 11300
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 100
REMARK 3 SOLVENT ATOMS : 1552
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 27.50
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 62.90
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -1.56000
REMARK 3 B22 (A**2) : 0.00000
REMARK 3 B33 (A**2) : 0.00000
REMARK 3 B12 (A**2) : -1.34000
REMARK 3 B13 (A**2) : 2.90000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.36
REMARK 3 ESD FROM SIGMAA (A) : 0.54
REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.40
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.60
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.008
REMARK 3 BOND ANGLES (DEGREES) : 1.10
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.50
REMARK 3 IMPROPER ANGLES (DEGREES) : 1.20
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : ISOTROPIC
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : NULL
REMARK 3 KSOL : NULL
REMARK 3 BSOL : NULL
REMARK 3
REMARK 3 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : NULL
REMARK 3 TOPOLOGY FILE 1 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 3B3Q COMPLIES WITH FORMAT V. 3.1, 01-AUG-2007
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB.
REMARK 100 THE RCSB ID CODE IS RCSB045040.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 20-FEB-2007
REMARK 200 TEMPERATURE (KELVIN) : 100.0
REMARK 200 PH : 6.50
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : APS
REMARK 200 BEAMLINE : 21-ID-D
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.9787
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : MAR CCD 165 MM
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000
REMARK 200 DATA SCALING SOFTWARE : HKL-2000
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 76375
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400
REMARK 200 RESOLUTION RANGE LOW (A) : 50.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 97.9
REMARK 200 DATA REDUNDANCY : 4.500
REMARK 200 R MERGE (I) : 0.06200
REMARK 200 R SYM (I) : NULL
REMARK 200 FOR THE DATA SET : 19.3000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.50
REMARK 200 COMPLETENESS FOR SHELL (%) : 96.9
REMARK 200 DATA REDUNDANCY IN SHELL : 4.00
REMARK 200 R MERGE FOR SHELL (I) : 0.46300
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 FOR SHELL : 3.200
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: PHASER
REMARK 200 STARTING MODEL: PDB ENTRIES 1N5M AND 1C4R
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 56.06
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.80
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 1M SODIUM CITRATE, 0.1M SODIUM
REMARK 280 CACODYLATE, 0.2M SODIUM CHLORIDE, 0.01M CALCIUM CHLORIDE, PH
REMARK 280 6.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 295K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 1/2-X,-Y,1/2+Z
REMARK 290 3555 -X,1/2+Y,1/2-Z
REMARK 290 4555 1/2+X,1/2-Y,-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 58.29500
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 65.93000
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 62.70000
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 65.93000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 58.29500
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 62.70000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
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: TETRAMER
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, E, F
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; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSEQI
REMARK 465 ALA A 30
REMARK 465 ASP A 31
REMARK 465 PRO A 32
REMARK 465 HIS A 33
REMARK 465 HIS A 34
REMARK 465 HIS A 35
REMARK 465 HIS A 36
REMARK 465 HIS A 37
REMARK 465 HIS A 38
REMARK 465 GLU A 39
REMARK 465 ASN A 40
REMARK 465 LEU A 41
REMARK 465 TYR A 42
REMARK 465 PHE A 43
REMARK 465 GLN A 44
REMARK 465 GLY A 45
REMARK 465 GLN A 46
REMARK 465 LYS A 47
REMARK 465 LEU A 48
REMARK 465 ASP A 49
REMARK 465 ASP A 50
REMARK 465 VAL A 51
REMARK 465 ASP A 185
REMARK 465 ILE A 186
REMARK 465 ARG A 187
REMARK 465 ASP A 188
REMARK 465 SER A 189
REMARK 465 PRO A 446
REMARK 465 GLU A 447
REMARK 465 GLY A 448
REMARK 465 LYS A 449
REMARK 465 THR A 580
REMARK 465 LYS A 581
REMARK 465 PHE A 582
REMARK 465 ILE A 583
REMARK 465 HIS A 584
REMARK 465 THR A 585
REMARK 465 LYS A 586
REMARK 465 PRO A 587
REMARK 465 ASN A 588
REMARK 465 ARG A 589
REMARK 465 ALA B 30
REMARK 465 ASP B 31
REMARK 465 PRO B 32
REMARK 465 HIS B 33
REMARK 465 HIS B 34
REMARK 465 HIS B 35
REMARK 465 HIS B 36
REMARK 465 HIS B 37
REMARK 465 HIS B 38
REMARK 465 GLU B 39
REMARK 465 ASN B 40
REMARK 465 LEU B 41
REMARK 465 TYR B 42
REMARK 465 PHE B 43
REMARK 465 GLN B 44
REMARK 465 GLY B 45
REMARK 465 GLN B 46
REMARK 465 LYS B 47
REMARK 465 LEU B 48
REMARK 465 ASP B 49
REMARK 465 ASP B 50
REMARK 465 VAL B 51
REMARK 465 ASP B 185
REMARK 465 ILE B 186
REMARK 465 ARG B 187
REMARK 465 ASP B 188
REMARK 465 SER B 189
REMARK 465 PRO B 446
REMARK 465 GLU B 447
REMARK 465 GLY B 448
REMARK 465 LYS B 449
REMARK 465 THR B 580
REMARK 465 LYS B 581
REMARK 465 PHE B 582
REMARK 465 ILE B 583
REMARK 465 HIS B 584
REMARK 465 THR B 585
REMARK 465 LYS B 586
REMARK 465 PRO B 587
REMARK 465 ASN B 588
REMARK 465 ARG B 589
REMARK 465 ALA E 83
REMARK 465 GLY E 84
REMARK 465 PRO E 292
REMARK 465 HIS E 293
REMARK 465 HIS E 294
REMARK 465 HIS E 295
REMARK 465 HIS E 296
REMARK 465 HIS E 297
REMARK 465 HIS E 298
REMARK 465 HIS E 299
REMARK 465 ALA F 83
REMARK 465 GLY F 84
REMARK 465 PRO F 292
REMARK 465 HIS F 293
REMARK 465 HIS F 294
REMARK 465 HIS F 295
REMARK 465 HIS F 296
REMARK 465 HIS F 297
REMARK 465 HIS F 298
REMARK 465 HIS F 299
REMARK 480
REMARK 480 ZERO OCCUPANCY ATOM
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 480 M RES C SSEQI ATOMS
REMARK 480 LYS E 91 CG CD CE NZ
REMARK 480 ARG E 109 CG CD NE CZ NH1 NH2
REMARK 480 LYS E 122 CG CD CE NZ
REMARK 480 LYS F 91 CG CD CE NZ
REMARK 480 ARG F 109 CG CD NE CZ NH1 NH2
REMARK 480 LYS F 122 CG CD CE NZ
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI
REMARK 500 NE2 GLN A 112 O HOH A 876 2.06
REMARK 500 O LEU B 139 OG SER B 143 2.07
REMARK 500 OD1 ASN B 565 O HOH B 669 2.08
REMARK 500 N ASP A 52 O HOH A 1055 2.10
REMARK 500 O HOH A 690 O HOH A 773 2.13
REMARK 500 O ASP A 421 N ASP A 423 2.15
REMARK 500 O ASP B 421 N ASP B 423 2.16
REMARK 500 ND2 ASN E 238 O HOH E 311 2.19
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 OE1 GLN B 343 O HOH F 749 4455 1.64
REMARK 500 O HOH A 912 O HOH F 764 4445 1.77
REMARK 500 O HOH B 1124 O HOH E 499 4545 1.84
REMARK 500 NZ LYS F 172 O HOH E 335 2555 2.10
REMARK 500 CE LYS F 172 O HOH E 335 2555 2.16
REMARK 500
REMARK 500 REMARK: NULL
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 ASN A 58 -2.95 -54.36
REMARK 500 ASN A 70 32.96 -71.85
REMARK 500 GLU A 72 45.41 -92.27
REMARK 500 PRO A 89 49.90 -75.91
REMARK 500 ALA A 110 66.78 -116.91
REMARK 500 ILE A 122 -79.34 -92.47
REMARK 500 LEU A 126 83.20 68.81
REMARK 500 PRO A 127 75.11 -66.49
REMARK 500 CYS A 153 17.60 -141.47
REMARK 500 PRO A 161 -177.85 -65.70
REMARK 500 TYR A 204 -2.51 76.31
REMARK 500 ASP A 242 -165.66 -120.49
REMARK 500 SER A 345 -98.40 -57.93
REMARK 500 PRO A 378 152.82 -45.35
REMARK 500 ASP A 383 -94.16 -129.72
REMARK 500 SER A 422 -17.70 48.33
REMARK 500 ALA A 464 -47.63 -149.80
REMARK 500 TRP A 485 -58.78 -130.14
REMARK 500 SER A 549 -167.12 -68.95
REMARK 500 GLN A 574 179.77 -57.31
REMARK 500 PRO A 575 -119.95 11.57
REMARK 500 VAL A 576 117.48 -38.33
REMARK 500 GLU A 591 -79.17 -69.33
REMARK 500 TRP A 595 95.75 -63.01
REMARK 500 HIS A 632 4.83 -67.66
REMARK 500 ASN B 58 -0.23 -57.69
REMARK 500 ASN B 70 33.59 -71.72
REMARK 500 GLU B 72 41.54 -90.79
REMARK 500 ALA B 110 64.27 -116.66
REMARK 500 ILE B 122 -77.94 -91.94
REMARK 500 LEU B 126 82.87 66.76
REMARK 500 PRO B 127 78.89 -65.98
REMARK 500 CYS B 153 16.34 -142.16
REMARK 500 PRO B 161 -176.93 -64.15
REMARK 500 TYR B 204 -6.62 83.82
REMARK 500 ASP B 242 -164.16 -123.30
REMARK 500 SER B 345 -99.33 -55.18
REMARK 500 PRO B 378 151.27 -49.01
REMARK 500 ASP B 383 -85.92 -131.29
REMARK 500 SER B 422 -16.93 47.61
REMARK 500 ALA B 464 -44.74 -149.63
REMARK 500 TRP B 485 -59.99 -131.06
REMARK 500 SER B 549 -165.99 -69.86
REMARK 500 GLN B 574 178.78 -57.54
REMARK 500 PRO B 575 -118.50 10.33
REMARK 500 GLU B 591 -78.70 -69.82
REMARK 500 TRP B 595 93.27 -59.16
REMARK 500 HIS B 617 72.70 37.83
REMARK 500 ARG B 619 47.53 36.92
REMARK 500 ASP E 104 40.86 -150.10
REMARK 500 SER E 132 176.09 -50.54
REMARK 500 THR E 156 -87.44 -56.36
REMARK 500 ASN E 169 38.28 -93.36
REMARK 500 ASP E 190 -81.61 -160.05
REMARK 500 TRP E 192 172.48 -56.78
REMARK 500 SER E 239 96.01 21.85
REMARK 500 GLN E 252 49.74 -143.63
REMARK 500 PRO F 102 -16.80 -48.43
REMARK 500 ASP F 104 38.65 -150.55
REMARK 500 SER F 132 175.67 -53.50
REMARK 500 THR F 156 -86.54 -56.28
REMARK 500 ALA F 166 -159.77 -154.85
REMARK 500 ASN F 169 38.34 -89.60
REMARK 500 ASP F 190 -82.76 -162.05
REMARK 500 TRP F 192 171.27 -53.45
REMARK 500 SER F 239 92.06 29.06
REMARK 500 GLN F 252 52.99 -146.35
REMARK 500 ASN F 275 29.66 46.24
REMARK 500 LEU F 287 58.39 -90.88
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 GLN A 574 PRO A 575 -136.02
REMARK 500 GLN B 574 PRO B 575 -133.15
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY
REMARK 500
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY
REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 500 I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI ANGLE
REMARK 500 ARG F 109 12.94
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 B 652 DISTANCE = 7.97 ANGSTROMS
REMARK 525 HOH F 708 DISTANCE = 7.23 ANGSTROMS
REMARK 525 HOH A 644 DISTANCE = 6.60 ANGSTROMS
REMARK 525 HOH A 649 DISTANCE = 5.29 ANGSTROMS
REMARK 525 HOH F 728 DISTANCE = 7.87 ANGSTROMS
REMARK 525 HOH F 733 DISTANCE = 5.82 ANGSTROMS
REMARK 525 HOH B 681 DISTANCE = 6.91 ANGSTROMS
REMARK 525 HOH A 668 DISTANCE = 5.02 ANGSTROMS
REMARK 525 HOH F 737 DISTANCE = 5.19 ANGSTROMS
REMARK 525 HOH A 672 DISTANCE = 6.36 ANGSTROMS
REMARK 525 HOH F 741 DISTANCE = 6.18 ANGSTROMS
REMARK 525 HOH E 338 DISTANCE = 6.42 ANGSTROMS
REMARK 525 HOH F 745 DISTANCE = 6.15 ANGSTROMS
REMARK 525 HOH E 340 DISTANCE = 6.95 ANGSTROMS
REMARK 525 HOH B 695 DISTANCE = 6.96 ANGSTROMS
REMARK 525 HOH E 345 DISTANCE = 5.86 ANGSTROMS
REMARK 525 HOH F 752 DISTANCE = 5.58 ANGSTROMS
REMARK 525 HOH A 684 DISTANCE = 6.42 ANGSTROMS
REMARK 525 HOH A 685 DISTANCE = 5.32 ANGSTROMS
REMARK 525 HOH F 755 DISTANCE = 6.29 ANGSTROMS
REMARK 525 HOH F 756 DISTANCE = 6.44 ANGSTROMS
REMARK 525 HOH A 688 DISTANCE = 5.53 ANGSTROMS
REMARK 525 HOH F 758 DISTANCE = 6.38 ANGSTROMS
REMARK 525 HOH A 690 DISTANCE = 7.05 ANGSTROMS
REMARK 525 HOH E 353 DISTANCE = 6.04 ANGSTROMS
REMARK 525 HOH E 355 DISTANCE = 5.12 ANGSTROMS
REMARK 525 HOH F 763 DISTANCE = 6.26 ANGSTROMS
REMARK 525 HOH E 357 DISTANCE = 5.29 ANGSTROMS
REMARK 525 HOH A 697 DISTANCE = 7.83 ANGSTROMS
REMARK 525 HOH A 698 DISTANCE = 6.90 ANGSTROMS
REMARK 525 HOH B 712 DISTANCE = 5.98 ANGSTROMS
REMARK 525 HOH E 361 DISTANCE = 7.50 ANGSTROMS
REMARK 525 HOH F 768 DISTANCE = 5.71 ANGSTROMS
REMARK 525 HOH F 769 DISTANCE = 6.08 ANGSTROMS
REMARK 525 HOH B 715 DISTANCE = 5.88 ANGSTROMS
REMARK 525 HOH F 770 DISTANCE = 6.87 ANGSTROMS
REMARK 525 HOH F 771 DISTANCE = 5.05 ANGSTROMS
REMARK 525 HOH A 703 DISTANCE = 9.40 ANGSTROMS
REMARK 525 HOH F 772 DISTANCE = 5.11 ANGSTROMS
REMARK 525 HOH A 704 DISTANCE = 5.34 ANGSTROMS
REMARK 525 HOH B 719 DISTANCE = 5.49 ANGSTROMS
REMARK 525 HOH E 367 DISTANCE = 5.86 ANGSTROMS
REMARK 525 HOH F 775 DISTANCE = 6.09 ANGSTROMS
REMARK 525 HOH E 370 DISTANCE = 7.36 ANGSTROMS
REMARK 525 HOH F 777 DISTANCE = 6.75 ANGSTROMS
REMARK 525 HOH E 371 DISTANCE = 5.50 ANGSTROMS
REMARK 525 HOH B 727 DISTANCE = 5.31 ANGSTROMS
REMARK 525 HOH E 375 DISTANCE = 7.42 ANGSTROMS
REMARK 525 HOH E 377 DISTANCE = 11.05 ANGSTROMS
REMARK 525 HOH F 785 DISTANCE = 6.30 ANGSTROMS
REMARK 525 HOH F 787 DISTANCE = 6.04 ANGSTROMS
REMARK 525 HOH E 383 DISTANCE = 6.84 ANGSTROMS
REMARK 525 HOH A 722 DISTANCE = 5.84 ANGSTROMS
REMARK 525 HOH E 388 DISTANCE = 6.17 ANGSTROMS
REMARK 525 HOH F 794 DISTANCE = 8.34 ANGSTROMS
REMARK 525 HOH A 727 DISTANCE = 5.42 ANGSTROMS
REMARK 525 HOH F 796 DISTANCE = 8.13 ANGSTROMS
REMARK 525 HOH F 798 DISTANCE = 7.51 ANGSTROMS
REMARK 525 HOH E 394 DISTANCE = 6.50 ANGSTROMS
REMARK 525 HOH F 799 DISTANCE = 5.42 ANGSTROMS
REMARK 525 HOH A 731 DISTANCE = 5.20 ANGSTROMS
REMARK 525 HOH B 745 DISTANCE = 5.26 ANGSTROMS
REMARK 525 HOH F 800 DISTANCE = 5.72 ANGSTROMS
REMARK 525 HOH E 399 DISTANCE = 7.46 ANGSTROMS
REMARK 525 HOH F 804 DISTANCE = 8.76 ANGSTROMS
REMARK 525 HOH A 736 DISTANCE = 5.08 ANGSTROMS
REMARK 525 HOH F 806 DISTANCE = 10.00 ANGSTROMS
REMARK 525 HOH E 403 DISTANCE = 6.77 ANGSTROMS
REMARK 525 HOH F 808 DISTANCE = 11.52 ANGSTROMS
REMARK 525 HOH F 809 DISTANCE = 8.13 ANGSTROMS
REMARK 525 HOH E 406 DISTANCE = 5.66 ANGSTROMS
REMARK 525 HOH F 810 DISTANCE = 6.86 ANGSTROMS
REMARK 525 HOH F 811 DISTANCE = 10.57 ANGSTROMS
REMARK 525 HOH A 743 DISTANCE = 5.95 ANGSTROMS
REMARK 525 HOH E 408 DISTANCE = 6.69 ANGSTROMS
REMARK 525 HOH F 813 DISTANCE = 11.21 ANGSTROMS
REMARK 525 HOH F 814 DISTANCE = 7.74 ANGSTROMS
REMARK 525 HOH F 816 DISTANCE = 6.71 ANGSTROMS
REMARK 525 HOH E 414 DISTANCE = 6.18 ANGSTROMS
REMARK 525 HOH F 817 DISTANCE = 9.80 ANGSTROMS
REMARK 525 HOH A 749 DISTANCE = 5.61 ANGSTROMS
REMARK 525 HOH F 819 DISTANCE = 9.71 ANGSTROMS
REMARK 525 HOH B 765 DISTANCE = 6.52 ANGSTROMS
REMARK 525 HOH E 417 DISTANCE = 5.53 ANGSTROMS
REMARK 525 HOH A 752 DISTANCE = 6.00 ANGSTROMS
REMARK 525 HOH E 418 DISTANCE = 5.89 ANGSTROMS
REMARK 525 HOH F 821 DISTANCE = 6.72 ANGSTROMS
REMARK 525 HOH E 421 DISTANCE = 6.16 ANGSTROMS
REMARK 525 HOH F 823 DISTANCE = 6.73 ANGSTROMS
REMARK 525 HOH F 824 DISTANCE = 8.50 ANGSTROMS
REMARK 525 HOH B 770 DISTANCE = 7.48 ANGSTROMS
REMARK 525 HOH F 826 DISTANCE = 9.16 ANGSTROMS
REMARK 525 HOH A 758 DISTANCE = 5.47 ANGSTROMS
REMARK 525 HOH E 425 DISTANCE = 7.23 ANGSTROMS
REMARK 525 HOH B 773 DISTANCE = 5.73 ANGSTROMS
REMARK 525 HOH B 775 DISTANCE = 6.50 ANGSTROMS
REMARK 525 HOH B 776 DISTANCE = 5.81 ANGSTROMS
REMARK 525 HOH F 831 DISTANCE = 6.53 ANGSTROMS
REMARK 525 HOH B 777 DISTANCE = 5.63 ANGSTROMS
REMARK 525 HOH E 431 DISTANCE = 8.56 ANGSTROMS
REMARK 525 HOH F 833 DISTANCE = 7.01 ANGSTROMS
REMARK 525 HOH A 766 DISTANCE = 6.54 ANGSTROMS
REMARK 525 HOH E 433 DISTANCE = 5.40 ANGSTROMS
REMARK 525 HOH F 835 DISTANCE = 5.70 ANGSTROMS
REMARK 525 HOH B 781 DISTANCE = 6.54 ANGSTROMS
REMARK 525 HOH F 836 DISTANCE = 9.23 ANGSTROMS
REMARK 525 HOH A 768 DISTANCE = 6.92 ANGSTROMS
REMARK 525 HOH E 435 DISTANCE = 8.70 ANGSTROMS
REMARK 525 HOH F 837 DISTANCE = 8.59 ANGSTROMS
REMARK 525 HOH F 838 DISTANCE = 6.44 ANGSTROMS
REMARK 525 HOH E 437 DISTANCE = 9.64 ANGSTROMS
REMARK 525 HOH F 839 DISTANCE = 8.38 ANGSTROMS
REMARK 525 HOH E 439 DISTANCE = 7.33 ANGSTROMS
REMARK 525 HOH F 841 DISTANCE = 7.17 ANGSTROMS
REMARK 525 HOH A 773 DISTANCE = 5.87 ANGSTROMS
REMARK 525 HOH E 440 DISTANCE = 6.71 ANGSTROMS
REMARK 525 HOH F 842 DISTANCE = 5.64 ANGSTROMS
REMARK 525 HOH A 774 DISTANCE = 10.26 ANGSTROMS
REMARK 525 HOH E 441 DISTANCE = 10.20 ANGSTROMS
REMARK 525 HOH F 843 DISTANCE = 6.47 ANGSTROMS
REMARK 525 HOH A 775 DISTANCE = 6.97 ANGSTROMS
REMARK 525 HOH E 442 DISTANCE = 10.38 ANGSTROMS
REMARK 525 HOH A 776 DISTANCE = 6.53 ANGSTROMS
REMARK 525 HOH E 443 DISTANCE = 9.07 ANGSTROMS
REMARK 525 HOH F 845 DISTANCE = 10.13 ANGSTROMS
REMARK 525 HOH B 791 DISTANCE = 5.46 ANGSTROMS
REMARK 525 HOH E 445 DISTANCE = 10.13 ANGSTROMS
REMARK 525 HOH E 446 DISTANCE = 7.74 ANGSTROMS
REMARK 525 HOH F 848 DISTANCE = 6.33 ANGSTROMS
REMARK 525 HOH A 780 DISTANCE = 6.82 ANGSTROMS
REMARK 525 HOH F 850 DISTANCE = 8.40 ANGSTROMS
REMARK 525 HOH E 449 DISTANCE = 8.56 ANGSTROMS
REMARK 525 HOH A 784 DISTANCE = 7.22 ANGSTROMS
REMARK 525 HOH E 451 DISTANCE = 7.65 ANGSTROMS
REMARK 525 HOH B 799 DISTANCE = 6.36 ANGSTROMS
REMARK 525 HOH E 453 DISTANCE = 8.41 ANGSTROMS
REMARK 525 HOH F 855 DISTANCE = 8.19 ANGSTROMS
REMARK 525 HOH B 801 DISTANCE = 5.73 ANGSTROMS
REMARK 525 HOH E 454 DISTANCE = 7.50 ANGSTROMS
REMARK 525 HOH F 856 DISTANCE = 7.41 ANGSTROMS
REMARK 525 HOH A 788 DISTANCE = 5.96 ANGSTROMS
REMARK 525 HOH E 455 DISTANCE = 10.54 ANGSTROMS
REMARK 525 HOH F 857 DISTANCE = 5.38 ANGSTROMS
REMARK 525 HOH E 457 DISTANCE = 5.25 ANGSTROMS
REMARK 525 HOH A 791 DISTANCE = 5.49 ANGSTROMS
REMARK 525 HOH A 792 DISTANCE = 6.72 ANGSTROMS
REMARK 525 HOH E 459 DISTANCE = 11.35 ANGSTROMS
REMARK 525 HOH F 861 DISTANCE = 9.31 ANGSTROMS
REMARK 525 HOH A 794 DISTANCE = 6.99 ANGSTROMS
REMARK 525 HOH B 811 DISTANCE = 6.79 ANGSTROMS
REMARK 525 HOH A 798 DISTANCE = 5.18 ANGSTROMS
REMARK 525 HOH B 812 DISTANCE = 5.25 ANGSTROMS
REMARK 525 HOH A 799 DISTANCE = 7.14 ANGSTROMS
REMARK 525 HOH F 868 DISTANCE = 5.40 ANGSTROMS
REMARK 525 HOH B 814 DISTANCE = 7.26 ANGSTROMS
REMARK 525 HOH E 467 DISTANCE = 9.18 ANGSTROMS
REMARK 525 HOH F 869 DISTANCE = 9.29 ANGSTROMS
REMARK 525 HOH E 468 DISTANCE = 11.01 ANGSTROMS
REMARK 525 HOH F 870 DISTANCE = 6.87 ANGSTROMS
REMARK 525 HOH E 470 DISTANCE = 5.78 ANGSTROMS
REMARK 525 HOH F 872 DISTANCE = 11.13 ANGSTROMS
REMARK 525 HOH E 471 DISTANCE = 5.42 ANGSTROMS
REMARK 525 HOH E 472 DISTANCE = 7.92 ANGSTROMS
REMARK 525 HOH F 874 DISTANCE = 5.73 ANGSTROMS
REMARK 525 HOH E 474 DISTANCE = 7.71 ANGSTROMS
REMARK 525 HOH A 807 DISTANCE = 6.02 ANGSTROMS
REMARK 525 HOH F 876 DISTANCE = 10.14 ANGSTROMS
REMARK 525 HOH B 822 DISTANCE = 5.64 ANGSTROMS
REMARK 525 HOH E 476 DISTANCE = 9.46 ANGSTROMS
REMARK 525 HOH F 877 DISTANCE = 5.97 ANGSTROMS
REMARK 525 HOH A 809 DISTANCE = 6.43 ANGSTROMS
REMARK 525 HOH F 878 DISTANCE = 8.70 ANGSTROMS
REMARK 525 HOH E 478 DISTANCE = 7.44 ANGSTROMS
REMARK 525 HOH F 880 DISTANCE = 7.61 ANGSTROMS
REMARK 525 HOH E 480 DISTANCE = 5.31 ANGSTROMS
REMARK 525 HOH E 481 DISTANCE = 5.40 ANGSTROMS
REMARK 525 HOH F 882 DISTANCE = 5.41 ANGSTROMS
REMARK 525 HOH A 814 DISTANCE = 6.13 ANGSTROMS
REMARK 525 HOH F 883 DISTANCE = 8.46 ANGSTROMS
REMARK 525 HOH A 817 DISTANCE = 6.06 ANGSTROMS
REMARK 525 HOH B 832 DISTANCE = 5.67 ANGSTROMS
REMARK 525 HOH E 486 DISTANCE = 8.28 ANGSTROMS
REMARK 525 HOH F 887 DISTANCE = 6.38 ANGSTROMS
REMARK 525 HOH A 819 DISTANCE = 6.87 ANGSTROMS
REMARK 525 HOH E 487 DISTANCE = 10.36 ANGSTROMS
REMARK 525 HOH F 888 DISTANCE = 6.98 ANGSTROMS
REMARK 525 HOH A 820 DISTANCE = 5.06 ANGSTROMS
REMARK 525 HOH E 488 DISTANCE = 5.84 ANGSTROMS
REMARK 525 HOH E 489 DISTANCE = 11.78 ANGSTROMS
REMARK 525 HOH F 890 DISTANCE = 7.37 ANGSTROMS
REMARK 525 HOH A 822 DISTANCE = 6.88 ANGSTROMS
REMARK 525 HOH A 823 DISTANCE = 5.07 ANGSTROMS
REMARK 525 HOH E 491 DISTANCE = 7.21 ANGSTROMS
REMARK 525 HOH F 892 DISTANCE = 7.66 ANGSTROMS
REMARK 525 HOH B 838 DISTANCE = 5.74 ANGSTROMS
REMARK 525 HOH F 893 DISTANCE = 7.45 ANGSTROMS
REMARK 525 HOH E 493 DISTANCE = 10.16 ANGSTROMS
REMARK 525 HOH F 894 DISTANCE = 5.43 ANGSTROMS
REMARK 525 HOH E 494 DISTANCE = 11.47 ANGSTROMS
REMARK 525 HOH A 828 DISTANCE = 5.18 ANGSTROMS
REMARK 525 HOH E 498 DISTANCE = 6.09 ANGSTROMS
REMARK 525 HOH B 845 DISTANCE = 7.12 ANGSTROMS
REMARK 525 HOH E 501 DISTANCE = 10.70 ANGSTROMS
REMARK 525 HOH B 849 DISTANCE = 8.79 ANGSTROMS
REMARK 525 HOH E 507 DISTANCE = 8.43 ANGSTROMS
REMARK 525 HOH E 508 DISTANCE = 5.51 ANGSTROMS
REMARK 525 HOH B 855 DISTANCE = 5.85 ANGSTROMS
REMARK 525 HOH E 513 DISTANCE = 8.86 ANGSTROMS
REMARK 525 HOH A 844 DISTANCE = 6.38 ANGSTROMS
REMARK 525 HOH B 858 DISTANCE = 7.44 ANGSTROMS
REMARK 525 HOH A 845 DISTANCE = 6.41 ANGSTROMS
REMARK 525 HOH E 515 DISTANCE = 8.89 ANGSTROMS
REMARK 525 HOH E 516 DISTANCE = 5.97 ANGSTROMS
REMARK 525 HOH A 847 DISTANCE = 7.56 ANGSTROMS
REMARK 525 HOH B 861 DISTANCE = 6.19 ANGSTROMS
REMARK 525 HOH E 517 DISTANCE = 7.10 ANGSTROMS
REMARK 525 HOH B 863 DISTANCE = 6.69 ANGSTROMS
REMARK 525 HOH E 519 DISTANCE = 9.16 ANGSTROMS
REMARK 525 HOH A 851 DISTANCE = 5.12 ANGSTROMS
REMARK 525 HOH B 866 DISTANCE = 6.63 ANGSTROMS
REMARK 525 HOH E 522 DISTANCE = 5.65 ANGSTROMS
REMARK 525 HOH A 853 DISTANCE = 6.45 ANGSTROMS
REMARK 525 HOH E 524 DISTANCE = 5.04 ANGSTROMS
REMARK 525 HOH E 526 DISTANCE = 5.10 ANGSTROMS
REMARK 525 HOH B 870 DISTANCE = 6.36 ANGSTROMS
REMARK 525 HOH E 527 DISTANCE = 6.70 ANGSTROMS
REMARK 525 HOH E 528 DISTANCE = 6.71 ANGSTROMS
REMARK 525 HOH E 708 DISTANCE = 8.37 ANGSTROMS
REMARK 525 HOH B 876 DISTANCE = 5.82 ANGSTROMS
REMARK 525 HOH B 878 DISTANCE = 5.95 ANGSTROMS
REMARK 525 HOH A 868 DISTANCE = 5.13 ANGSTROMS
REMARK 525 HOH B 883 DISTANCE = 6.20 ANGSTROMS
REMARK 525 HOH B 886 DISTANCE = 5.06 ANGSTROMS
REMARK 525 HOH B 890 DISTANCE = 6.67 ANGSTROMS
REMARK 525 HOH B 892 DISTANCE = 6.80 ANGSTROMS
REMARK 525 HOH A 880 DISTANCE = 7.64 ANGSTROMS
REMARK 525 HOH A 883 DISTANCE = 5.77 ANGSTROMS
REMARK 525 HOH B 899 DISTANCE = 5.96 ANGSTROMS
REMARK 525 HOH A 886 DISTANCE = 5.88 ANGSTROMS
REMARK 525 HOH B 900 DISTANCE = 7.77 ANGSTROMS
REMARK 525 HOH A 887 DISTANCE = 6.17 ANGSTROMS
REMARK 525 HOH B 901 DISTANCE = 5.29 ANGSTROMS
REMARK 525 HOH A 891 DISTANCE = 6.40 ANGSTROMS
REMARK 525 HOH B 906 DISTANCE = 6.62 ANGSTROMS
REMARK 525 HOH A 893 DISTANCE = 5.78 ANGSTROMS
REMARK 525 HOH B 907 DISTANCE = 5.04 ANGSTROMS
REMARK 525 HOH A 894 DISTANCE = 5.99 ANGSTROMS
REMARK 525 HOH A 898 DISTANCE = 6.79 ANGSTROMS
REMARK 525 HOH A 899 DISTANCE = 5.38 ANGSTROMS
REMARK 525 HOH B 915 DISTANCE = 5.89 ANGSTROMS
REMARK 525 HOH B 918 DISTANCE = 7.58 ANGSTROMS
REMARK 525 HOH A 907 DISTANCE = 6.79 ANGSTROMS
REMARK 525 HOH B 921 DISTANCE = 5.69 ANGSTROMS
REMARK 525 HOH B 923 DISTANCE = 5.27 ANGSTROMS
REMARK 525 HOH A 912 DISTANCE = 7.29 ANGSTROMS
REMARK 525 HOH B 927 DISTANCE = 5.35 ANGSTROMS
REMARK 525 HOH B 928 DISTANCE = 5.13 ANGSTROMS
REMARK 525 HOH A 916 DISTANCE = 6.28 ANGSTROMS
REMARK 525 HOH B 930 DISTANCE = 8.77 ANGSTROMS
REMARK 525 HOH A 917 DISTANCE = 6.17 ANGSTROMS
REMARK 525 HOH A 919 DISTANCE = 7.13 ANGSTROMS
REMARK 525 HOH A 926 DISTANCE = 5.20 ANGSTROMS
REMARK 525 HOH A 929 DISTANCE = 7.07 ANGSTROMS
REMARK 525 HOH A 931 DISTANCE = 5.56 ANGSTROMS
REMARK 525 HOH B 945 DISTANCE = 6.55 ANGSTROMS
REMARK 525 HOH A 933 DISTANCE = 10.49 ANGSTROMS
REMARK 525 HOH A 934 DISTANCE = 10.15 ANGSTROMS
REMARK 525 HOH A 936 DISTANCE = 11.38 ANGSTROMS
REMARK 525 HOH A 937 DISTANCE = 10.32 ANGSTROMS
REMARK 525 HOH A 939 DISTANCE = 9.05 ANGSTROMS
REMARK 525 HOH A 940 DISTANCE = 8.57 ANGSTROMS
REMARK 525 HOH A 942 DISTANCE = 9.88 ANGSTROMS
REMARK 525 HOH A 943 DISTANCE = 7.19 ANGSTROMS
REMARK 525 HOH A 944 DISTANCE = 5.19 ANGSTROMS
REMARK 525 HOH B 958 DISTANCE = 5.11 ANGSTROMS
REMARK 525 HOH A 945 DISTANCE = 10.04 ANGSTROMS
REMARK 525 HOH B 959 DISTANCE = 6.44 ANGSTROMS
REMARK 525 HOH A 947 DISTANCE = 7.01 ANGSTROMS
REMARK 525 HOH A 948 DISTANCE = 5.90 ANGSTROMS
REMARK 525 HOH A 950 DISTANCE = 6.28 ANGSTROMS
REMARK 525 HOH A 951 DISTANCE = 12.83 ANGSTROMS
REMARK 525 HOH A 952 DISTANCE = 6.17 ANGSTROMS
REMARK 525 HOH A 955 DISTANCE = 11.45 ANGSTROMS
REMARK 525 HOH B 971 DISTANCE = 6.64 ANGSTROMS
REMARK 525 HOH A 958 DISTANCE = 8.20 ANGSTROMS
REMARK 525 HOH A 962 DISTANCE = 12.10 ANGSTROMS
REMARK 525 HOH A 963 DISTANCE = 7.36 ANGSTROMS
REMARK 525 HOH A 964 DISTANCE = 13.20 ANGSTROMS
REMARK 525 HOH B 979 DISTANCE = 6.47 ANGSTROMS
REMARK 525 HOH B 982 DISTANCE = 5.62 ANGSTROMS
REMARK 525 HOH A 969 DISTANCE = 10.83 ANGSTROMS
REMARK 525 HOH B 983 DISTANCE = 6.00 ANGSTROMS
REMARK 525 HOH A 970 DISTANCE = 6.19 ANGSTROMS
REMARK 525 HOH A 971 DISTANCE = 10.57 ANGSTROMS
REMARK 525 HOH A 973 DISTANCE = 6.45 ANGSTROMS
REMARK 525 HOH B 987 DISTANCE = 5.67 ANGSTROMS
REMARK 525 HOH A 975 DISTANCE = 11.95 ANGSTROMS
REMARK 525 HOH B 989 DISTANCE = 5.88 ANGSTROMS
REMARK 525 HOH B 990 DISTANCE = 5.39 ANGSTROMS
REMARK 525 HOH A 977 DISTANCE = 7.54 ANGSTROMS
REMARK 525 HOH A 981 DISTANCE = 7.22 ANGSTROMS
REMARK 525 HOH B 996 DISTANCE = 6.87 ANGSTROMS
REMARK 525 HOH A 983 DISTANCE = 7.76 ANGSTROMS
REMARK 525 HOH B 997 DISTANCE = 6.05 ANGSTROMS
REMARK 525 HOH A 984 DISTANCE = 10.55 ANGSTROMS
REMARK 525 HOH B 999 DISTANCE = 5.64 ANGSTROMS
REMARK 525 HOH A 987 DISTANCE = 13.68 ANGSTROMS
REMARK 525 HOH A 989 DISTANCE = 6.98 ANGSTROMS
REMARK 525 HOH A 990 DISTANCE = 8.93 ANGSTROMS
REMARK 525 HOH A 992 DISTANCE = 6.86 ANGSTROMS
REMARK 525 HOH A 996 DISTANCE = 7.90 ANGSTROMS
REMARK 525 HOH A 998 DISTANCE = 9.48 ANGSTROMS
REMARK 525 HOH A 999 DISTANCE = 9.80 ANGSTROMS
REMARK 525 HOH B1014 DISTANCE = 10.42 ANGSTROMS
REMARK 525 HOH B1016 DISTANCE = 10.71 ANGSTROMS
REMARK 525 HOH B1017 DISTANCE = 13.55 ANGSTROMS
REMARK 525 HOH A1004 DISTANCE = 8.64 ANGSTROMS
REMARK 525 HOH B1018 DISTANCE = 9.97 ANGSTROMS
REMARK 525 HOH A1005 DISTANCE = 9.79 ANGSTROMS
REMARK 525 HOH B1019 DISTANCE = 9.38 ANGSTROMS
REMARK 525 HOH A1006 DISTANCE = 9.54 ANGSTROMS
REMARK 525 HOH B1020 DISTANCE = 11.98 ANGSTROMS
REMARK 525 HOH A1007 DISTANCE = 8.29 ANGSTROMS
REMARK 525 HOH A1008 DISTANCE = 5.17 ANGSTROMS
REMARK 525 HOH B1022 DISTANCE = 7.85 ANGSTROMS
REMARK 525 HOH A1010 DISTANCE = 7.17 ANGSTROMS
REMARK 525 HOH B1024 DISTANCE = 9.62 ANGSTROMS
REMARK 525 HOH B1025 DISTANCE = 8.78 ANGSTROMS
REMARK 525 HOH B1026 DISTANCE = 7.95 ANGSTROMS
REMARK 525 HOH A1013 DISTANCE = 9.99 ANGSTROMS
REMARK 525 HOH B1027 DISTANCE = 9.52 ANGSTROMS
REMARK 525 HOH B1029 DISTANCE = 13.34 ANGSTROMS
REMARK 525 HOH A1016 DISTANCE = 9.48 ANGSTROMS
REMARK 525 HOH B1030 DISTANCE = 9.53 ANGSTROMS
REMARK 525 HOH B1031 DISTANCE = 8.00 ANGSTROMS
REMARK 525 HOH A1021 DISTANCE = 7.73 ANGSTROMS
REMARK 525 HOH A1022 DISTANCE = 6.05 ANGSTROMS
REMARK 525 HOH B1036 DISTANCE = 8.90 ANGSTROMS
REMARK 525 HOH A1023 DISTANCE = 9.49 ANGSTROMS
REMARK 525 HOH B1038 DISTANCE = 8.59 ANGSTROMS
REMARK 525 HOH A1025 DISTANCE = 7.43 ANGSTROMS
REMARK 525 HOH A1026 DISTANCE = 9.30 ANGSTROMS
REMARK 525 HOH A1027 DISTANCE = 9.92 ANGSTROMS
REMARK 525 HOH B1041 DISTANCE = 7.82 ANGSTROMS
REMARK 525 HOH A1028 DISTANCE = 8.01 ANGSTROMS
REMARK 525 HOH B1042 DISTANCE = 10.00 ANGSTROMS
REMARK 525 HOH A1029 DISTANCE = 9.80 ANGSTROMS
REMARK 525 HOH B1043 DISTANCE = 8.77 ANGSTROMS
REMARK 525 HOH A1030 DISTANCE = 7.22 ANGSTROMS
REMARK 525 HOH A1031 DISTANCE = 7.78 ANGSTROMS
REMARK 525 HOH B1045 DISTANCE = 7.16 ANGSTROMS
REMARK 525 HOH A1032 DISTANCE = 10.02 ANGSTROMS
REMARK 525 HOH B1047 DISTANCE = 7.57 ANGSTROMS
REMARK 525 HOH B1048 DISTANCE = 7.56 ANGSTROMS
REMARK 525 HOH A1035 DISTANCE = 7.57 ANGSTROMS
REMARK 525 HOH B1049 DISTANCE = 9.84 ANGSTROMS
REMARK 525 HOH A1036 DISTANCE = 8.73 ANGSTROMS
REMARK 525 HOH B1051 DISTANCE = 6.72 ANGSTROMS
REMARK 525 HOH A1039 DISTANCE = 6.11 ANGSTROMS
REMARK 525 HOH B1054 DISTANCE = 8.83 ANGSTROMS
REMARK 525 HOH A1042 DISTANCE = 7.00 ANGSTROMS
REMARK 525 HOH B1056 DISTANCE = 9.98 ANGSTROMS
REMARK 525 HOH A1045 DISTANCE = 7.78 ANGSTROMS
REMARK 525 HOH A1046 DISTANCE = 6.91 ANGSTROMS
REMARK 525 HOH B1060 DISTANCE = 8.36 ANGSTROMS
REMARK 525 HOH A1047 DISTANCE = 6.60 ANGSTROMS
REMARK 525 HOH A1048 DISTANCE = 7.30 ANGSTROMS
REMARK 525 HOH B1062 DISTANCE = 7.08 ANGSTROMS
REMARK 525 HOH A1049 DISTANCE = 6.88 ANGSTROMS
REMARK 525 HOH B1065 DISTANCE = 9.71 ANGSTROMS
REMARK 525 HOH B1066 DISTANCE = 10.07 ANGSTROMS
REMARK 525 HOH B1067 DISTANCE = 6.01 ANGSTROMS
REMARK 525 HOH A1054 DISTANCE = 6.77 ANGSTROMS
REMARK 525 HOH B1069 DISTANCE = 5.17 ANGSTROMS
REMARK 525 HOH A1057 DISTANCE = 11.65 ANGSTROMS
REMARK 525 HOH B1072 DISTANCE = 6.80 ANGSTROMS
REMARK 525 HOH A1059 DISTANCE = 6.87 ANGSTROMS
REMARK 525 HOH B1074 DISTANCE = 9.79 ANGSTROMS
REMARK 525 HOH B1075 DISTANCE = 8.33 ANGSTROMS
REMARK 525 HOH A1062 DISTANCE = 7.01 ANGSTROMS
REMARK 525 HOH B1076 DISTANCE = 8.36 ANGSTROMS
REMARK 525 HOH A1063 DISTANCE = 7.26 ANGSTROMS
REMARK 525 HOH B1078 DISTANCE = 11.75 ANGSTROMS
REMARK 525 HOH A1065 DISTANCE = 6.02 ANGSTROMS
REMARK 525 HOH B1079 DISTANCE = 6.85 ANGSTROMS
REMARK 525 HOH A1066 DISTANCE = 8.31 ANGSTROMS
REMARK 525 HOH B1080 DISTANCE = 9.81 ANGSTROMS
REMARK 525 HOH B1081 DISTANCE = 8.45 ANGSTROMS
REMARK 525 HOH B1086 DISTANCE = 5.54 ANGSTROMS
REMARK 525 HOH A1073 DISTANCE = 7.79 ANGSTROMS
REMARK 525 HOH A1074 DISTANCE = 5.17 ANGSTROMS
REMARK 525 HOH B1088 DISTANCE = 6.42 ANGSTROMS
REMARK 525 HOH A1076 DISTANCE = 7.22 ANGSTROMS
REMARK 525 HOH A1078 DISTANCE = 9.77 ANGSTROMS
REMARK 525 HOH B1094 DISTANCE = 9.47 ANGSTROMS
REMARK 525 HOH B1096 DISTANCE = 12.42 ANGSTROMS
REMARK 525 HOH A1084 DISTANCE = 5.34 ANGSTROMS
REMARK 525 HOH A1085 DISTANCE = 10.01 ANGSTROMS
REMARK 525 HOH B1099 DISTANCE = 9.05 ANGSTROMS
REMARK 525 HOH A1086 DISTANCE = 5.18 ANGSTROMS
REMARK 525 HOH B1101 DISTANCE = 11.05 ANGSTROMS
REMARK 525 HOH A1088 DISTANCE = 6.26 ANGSTROMS
REMARK 525 HOH A1089 DISTANCE = 5.43 ANGSTROMS
REMARK 525 HOH B1103 DISTANCE = 8.05 ANGSTROMS
REMARK 525 HOH B1104 DISTANCE = 8.77 ANGSTROMS
REMARK 525 HOH A1092 DISTANCE = 7.22 ANGSTROMS
REMARK 525 HOH B1106 DISTANCE = 8.16 ANGSTROMS
REMARK 525 HOH A1093 DISTANCE = 6.26 ANGSTROMS
REMARK 525 HOH A1094 DISTANCE = 5.09 ANGSTROMS
REMARK 525 HOH B1108 DISTANCE = 7.70 ANGSTROMS
REMARK 525 HOH B1109 DISTANCE = 9.37 ANGSTROMS
REMARK 525 HOH A1096 DISTANCE = 5.39 ANGSTROMS
REMARK 525 HOH B1111 DISTANCE = 9.16 ANGSTROMS
REMARK 525 HOH A1098 DISTANCE = 5.09 ANGSTROMS
REMARK 525 HOH B1113 DISTANCE = 5.49 ANGSTROMS
REMARK 525 HOH A1101 DISTANCE = 6.80 ANGSTROMS
REMARK 525 HOH B1115 DISTANCE = 5.92 ANGSTROMS
REMARK 525 HOH A1102 DISTANCE = 5.08 ANGSTROMS
REMARK 525 HOH B1118 DISTANCE = 10.46 ANGSTROMS
REMARK 525 HOH A1105 DISTANCE = 11.27 ANGSTROMS
REMARK 525 HOH B1119 DISTANCE = 7.00 ANGSTROMS
REMARK 525 HOH A1106 DISTANCE = 8.09 ANGSTROMS
REMARK 525 HOH B1122 DISTANCE = 5.34 ANGSTROMS
REMARK 525 HOH B1123 DISTANCE = 12.78 ANGSTROMS
REMARK 525 HOH B1125 DISTANCE = 7.63 ANGSTROMS
REMARK 525 HOH A1112 DISTANCE = 8.67 ANGSTROMS
REMARK 525 HOH B1126 DISTANCE = 8.03 ANGSTROMS
REMARK 525 HOH A1113 DISTANCE = 8.06 ANGSTROMS
REMARK 525 HOH B1127 DISTANCE = 7.78 ANGSTROMS
REMARK 525 HOH A1114 DISTANCE = 5.74 ANGSTROMS
REMARK 525 HOH B1129 DISTANCE = 11.24 ANGSTROMS
REMARK 525 HOH A1116 DISTANCE = 9.28 ANGSTROMS
REMARK 525 HOH B1130 DISTANCE = 7.13 ANGSTROMS
REMARK 525 HOH A1117 DISTANCE = 5.30 ANGSTROMS
REMARK 525 HOH B1131 DISTANCE = 10.70 ANGSTROMS
REMARK 525 HOH A1119 DISTANCE = 8.30 ANGSTROMS
REMARK 525 HOH B1133 DISTANCE = 6.50 ANGSTROMS
REMARK 525 HOH B1134 DISTANCE = 10.69 ANGSTROMS
REMARK 525 HOH B1137 DISTANCE = 5.94 ANGSTROMS
REMARK 525 HOH B1139 DISTANCE = 9.07 ANGSTROMS
REMARK 525 HOH A1127 DISTANCE = 7.09 ANGSTROMS
REMARK 525 HOH A1128 DISTANCE = 5.48 ANGSTROMS
REMARK 525 HOH B1142 DISTANCE = 6.77 ANGSTROMS
REMARK 525 HOH B1143 DISTANCE = 5.89 ANGSTROMS
REMARK 525 HOH A1131 DISTANCE = 5.30 ANGSTROMS
REMARK 525 HOH B1145 DISTANCE = 9.90 ANGSTROMS
REMARK 525 HOH A1132 DISTANCE = 8.99 ANGSTROMS
REMARK 525 HOH A1133 DISTANCE = 6.76 ANGSTROMS
REMARK 525 HOH B1147 DISTANCE = 9.39 ANGSTROMS
REMARK 525 HOH B1148 DISTANCE = 5.49 ANGSTROMS
REMARK 525 HOH B1150 DISTANCE = 14.61 ANGSTROMS
REMARK 525 HOH A1137 DISTANCE = 5.95 ANGSTROMS
REMARK 525 HOH B1152 DISTANCE = 8.01 ANGSTROMS
REMARK 525 HOH A1139 DISTANCE = 6.09 ANGSTROMS
REMARK 525 HOH A1140 DISTANCE = 8.93 ANGSTROMS
REMARK 525 HOH A1141 DISTANCE = 6.04 ANGSTROMS
REMARK 525 HOH B1157 DISTANCE = 10.27 ANGSTROMS
REMARK 525 HOH B1158 DISTANCE = 9.84 ANGSTROMS
REMARK 525 HOH A1147 DISTANCE = 5.86 ANGSTROMS
REMARK 525 HOH A1148 DISTANCE = 8.61 ANGSTROMS
REMARK 525 HOH A1149 DISTANCE = 7.19 ANGSTROMS
REMARK 525 HOH B1163 DISTANCE = 8.90 ANGSTROMS
REMARK 525 HOH A1150 DISTANCE = 5.33 ANGSTROMS
REMARK 525 HOH B1165 DISTANCE = 6.25 ANGSTROMS
REMARK 525 HOH B1166 DISTANCE = 7.07 ANGSTROMS
REMARK 525 HOH A1153 DISTANCE = 9.20 ANGSTROMS
REMARK 525 HOH B1167 DISTANCE = 10.58 ANGSTROMS
REMARK 525 HOH A1155 DISTANCE = 8.69 ANGSTROMS
REMARK 525 HOH A1157 DISTANCE = 10.12 ANGSTROMS
REMARK 525 HOH B1171 DISTANCE = 6.68 ANGSTROMS
REMARK 525 HOH B1172 DISTANCE = 10.44 ANGSTROMS
REMARK 525 HOH A1159 DISTANCE = 9.10 ANGSTROMS
REMARK 525 HOH B1173 DISTANCE = 11.44 ANGSTROMS
REMARK 525 HOH A1161 DISTANCE = 7.80 ANGSTROMS
REMARK 525 HOH A1162 DISTANCE = 6.53 ANGSTROMS
REMARK 525 HOH B1177 DISTANCE = 8.52 ANGSTROMS
REMARK 525 HOH A1167 DISTANCE = 7.92 ANGSTROMS
REMARK 525 HOH B1182 DISTANCE = 6.48 ANGSTROMS
REMARK 525 HOH B1183 DISTANCE = 6.04 ANGSTROMS
REMARK 525 HOH B1184 DISTANCE = 10.23 ANGSTROMS
REMARK 525 HOH B1185 DISTANCE = 5.69 ANGSTROMS
REMARK 525 HOH B1186 DISTANCE = 10.69 ANGSTROMS
REMARK 525 HOH B1188 DISTANCE = 6.37 ANGSTROMS
REMARK 525 HOH B1192 DISTANCE = 7.20 ANGSTROMS
REMARK 525 HOH B1193 DISTANCE = 5.53 ANGSTROMS
REMARK 525 HOH B1195 DISTANCE = 6.92 ANGSTROMS
REMARK 525 HOH B1196 DISTANCE = 10.39 ANGSTROMS
REMARK 525 HOH B1199 DISTANCE = 8.07 ANGSTROMS
REMARK 525 HOH B1200 DISTANCE = 5.38 ANGSTROMS
REMARK 525 HOH B1203 DISTANCE = 10.04 ANGSTROMS
REMARK 525 HOH B1204 DISTANCE = 8.51 ANGSTROMS
REMARK 525 HOH B1205 DISTANCE = 11.03 ANGSTROMS
REMARK 525 HOH B1206 DISTANCE = 6.02 ANGSTROMS
REMARK 525 HOH B1207 DISTANCE = 6.01 ANGSTROMS
REMARK 525 HOH B1209 DISTANCE = 11.11 ANGSTROMS
REMARK 525 HOH B1212 DISTANCE = 9.37 ANGSTROMS
REMARK 525 HOH B1214 DISTANCE = 5.98 ANGSTROMS
REMARK 525 HOH B1217 DISTANCE = 8.60 ANGSTROMS
REMARK 525 HOH B1218 DISTANCE = 5.36 ANGSTROMS
REMARK 525 HOH B1219 DISTANCE = 8.06 ANGSTROMS
REMARK 525 HOH B1221 DISTANCE = 5.48 ANGSTROMS
REMARK 525 HOH B1223 DISTANCE = 5.71 ANGSTROMS
REMARK 525 HOH B1225 DISTANCE = 5.91 ANGSTROMS
REMARK 525 HOH B1228 DISTANCE = 5.68 ANGSTROMS
REMARK 525 HOH B1229 DISTANCE = 8.54 ANGSTROMS
REMARK 525 HOH B1230 DISTANCE = 8.15 ANGSTROMS
REMARK 525 HOH B1231 DISTANCE = 5.42 ANGSTROMS
REMARK 525 HOH B1232 DISTANCE = 6.59 ANGSTROMS
REMARK 525 HOH B1234 DISTANCE = 7.66 ANGSTROMS
REMARK 525 HOH B1236 DISTANCE = 9.60 ANGSTROMS
REMARK 525 HOH B1242 DISTANCE = 8.81 ANGSTROMS
REMARK 525 HOH B1243 DISTANCE = 6.30 ANGSTROMS
REMARK 525 HOH B1244 DISTANCE = 10.24 ANGSTROMS
REMARK 525 HOH B1248 DISTANCE = 8.34 ANGSTROMS
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 CA E 1 CA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 ASP E 137 OD1
REMARK 620 2 VAL E 154 O 83.6
REMARK 620 3 ILE E 236 O 81.4 79.5
REMARK 620 4 ASN E 238 OD1 104.6 170.4 96.7
REMARK 620 5 HOH A 638 O 168.7 89.5 88.6 81.5
REMARK 620 6 HOH E 300 O 92.6 94.9 172.1 89.8 96.9
REMARK 620 N 1 2 3 4 5
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 CA F 2 CA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 ASP F 137 OD1
REMARK 620 2 VAL F 154 O 99.2
REMARK 620 3 ILE F 236 O 98.4 100.3
REMARK 620 4 ASN F 238 OD1 85.0 150.8 107.7
REMARK 620 5 HOH F 716 O 81.2 73.4 173.5 78.8
REMARK 620 6 HOH B 656 O 166.2 80.1 95.3 89.0 85.4
REMARK 620 N 1 2 3 4 5
DBREF 3B3Q A 46 635 UNP Q4KMN5 Q4KMN5_MOUSE 46 606
DBREF 3B3Q B 46 635 UNP Q4KMN5 Q4KMN5_MOUSE 46 606
DBREF 3B3Q E 81 292 UNP A4FVB9 A4FVB9_HUMAN 39 220
DBREF 3B3Q F 81 292 UNP A4FVB9 A4FVB9_HUMAN 39 220
SEQADV 3B3Q ALA A 30 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q ASP A 31 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q PRO A 32 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS A 33 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS A 34 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS A 35 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS A 36 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS A 37 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS A 38 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q GLU A 39 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q ASN A 40 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q LEU A 41 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q TYR A 42 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q PHE A 43 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q GLN A 44 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q GLY A 45 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q GLN A 343 UNP Q4KMN5 ASN 314 ENGINEERED
SEQADV 3B3Q ALA B 30 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q ASP B 31 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q PRO B 32 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS B 33 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS B 34 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS B 35 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS B 36 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS B 37 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q HIS B 38 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q GLU B 39 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q ASN B 40 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q LEU B 41 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q TYR B 42 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q PHE B 43 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q GLN B 44 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q GLY B 45 UNP Q4KMN5 EXPRESSION TAG
SEQADV 3B3Q GLN B 343 UNP Q4KMN5 ASN 314 ENGINEERED
SEQADV 3B3Q HIS E 73 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q SER E 74 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q ALA E 75 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q PHE E 76 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q ALA E 77 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q ALA E 78 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q ASP E 79 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q PRO E 80 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS E 293 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS E 294 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS E 295 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS E 296 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS E 297 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS E 298 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS E 299 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS F 73 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q SER F 74 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q ALA F 75 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q PHE F 76 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q ALA F 77 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q ALA F 78 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q ASP F 79 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q PRO F 80 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS F 293 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS F 294 UNP A4FVB9 INSERTION
SEQADV 3B3Q HIS F 295 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS F 296 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS F 297 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS F 298 UNP A4FVB9 EXPRESSION TAG
SEQADV 3B3Q HIS F 299 UNP A4FVB9 EXPRESSION TAG
SEQRES 1 A 577 ALA ASP PRO HIS HIS HIS HIS HIS HIS GLU ASN LEU TYR
SEQRES 2 A 577 PHE GLN GLY GLN LYS LEU ASP ASP VAL ASP PRO LEU VAL
SEQRES 3 A 577 THR THR ASN PHE GLY LYS ILE ARG GLY ILE LYS LYS GLU
SEQRES 4 A 577 LEU ASN ASN GLU ILE LEU GLY PRO VAL ILE GLN PHE LEU
SEQRES 5 A 577 GLY VAL PRO TYR ALA ALA PRO PRO THR GLY GLU HIS ARG
SEQRES 6 A 577 PHE GLN PRO PRO GLU PRO PRO SER PRO TRP SER ASP ILE
SEQRES 7 A 577 ARG ASN ALA THR GLN PHE ALA PRO VAL CYS PRO GLN ASN
SEQRES 8 A 577 ILE ILE ASP GLY ARG LEU PRO GLU VAL MET LEU PRO VAL
SEQRES 9 A 577 TRP PHE THR ASN ASN LEU ASP VAL VAL SER SER TYR VAL
SEQRES 10 A 577 GLN ASP GLN SER GLU ASP CYS LEU TYR LEU ASN ILE TYR
SEQRES 11 A 577 VAL PRO THR GLU ASP ASP ILE ARG ASP SER GLY GLY PRO
SEQRES 12 A 577 LYS PRO VAL MET VAL TYR ILE HIS GLY GLY SER TYR MET
SEQRES 13 A 577 GLU GLY THR GLY ASN LEU TYR ASP GLY SER VAL LEU ALA
SEQRES 14 A 577 SER TYR GLY ASN VAL ILE VAL ILE THR VAL ASN TYR ARG
SEQRES 15 A 577 LEU GLY VAL LEU GLY PHE LEU SER THR GLY ASP GLN ALA
SEQRES 16 A 577 ALA LYS GLY ASN TYR GLY LEU LEU ASP LEU ILE GLN ALA
SEQRES 17 A 577 LEU ARG TRP THR SER GLU ASN ILE GLY PHE PHE GLY GLY
SEQRES 18 A 577 ASP PRO LEU ARG ILE THR VAL PHE GLY SER GLY ALA GLY
SEQRES 19 A 577 GLY SER CYS VAL ASN LEU LEU THR LEU SER HIS TYR SER
SEQRES 20 A 577 GLU GLY LEU PHE GLN ARG ALA ILE ALA GLN SER GLY THR
SEQRES 21 A 577 ALA LEU SER SER TRP ALA VAL SER PHE GLN PRO ALA LYS
SEQRES 22 A 577 TYR ALA ARG ILE LEU ALA THR LYS VAL GLY CYS GLN VAL
SEQRES 23 A 577 SER ASP THR VAL GLU LEU VAL GLU CYS LEU GLN LYS LYS
SEQRES 24 A 577 PRO TYR LYS GLU LEU VAL ASP GLN ASP VAL GLN PRO ALA
SEQRES 25 A 577 ARG TYR HIS ILE ALA PHE GLY PRO VAL ILE ASP GLY ASP
SEQRES 26 A 577 VAL ILE PRO ASP ASP PRO GLN ILE LEU MET GLU GLN GLY
SEQRES 27 A 577 GLU PHE LEU ASN TYR ASP ILE MET LEU GLY VAL ASN GLN
SEQRES 28 A 577 GLY GLU GLY LEU LYS PHE VAL GLU ASN ILE VAL ASP SER
SEQRES 29 A 577 ASP ASP GLY VAL SER ALA SER ASP PHE ASP PHE ALA VAL
SEQRES 30 A 577 SER ASN PHE VAL ASP ASN LEU TYR GLY TYR PRO GLU GLY
SEQRES 31 A 577 LYS ASP VAL LEU ARG GLU THR ILE LYS PHE MET TYR THR
SEQRES 32 A 577 ASP TRP ALA ASP ARG HIS ASN PRO GLU THR ARG ARG LYS
SEQRES 33 A 577 THR LEU LEU ALA LEU PHE THR ASP HIS GLN TRP VAL ALA
SEQRES 34 A 577 PRO ALA VAL ALA THR ALA ASP LEU HIS SER ASN PHE GLY
SEQRES 35 A 577 SER PRO THR TYR PHE TYR ALA PHE TYR HIS HIS CYS GLN
SEQRES 36 A 577 THR ASP GLN VAL PRO ALA TRP ALA ASP ALA ALA HIS GLY
SEQRES 37 A 577 ASP GLU VAL PRO TYR VAL LEU GLY ILE PRO MET ILE GLY
SEQRES 38 A 577 PRO THR GLU LEU PHE PRO CYS ASN PHE SER LYS ASN ASP
SEQRES 39 A 577 VAL MET LEU SER ALA VAL VAL MET THR TYR TRP THR ASN
SEQRES 40 A 577 PHE ALA LYS THR GLY ASP PRO ASN GLN PRO VAL PRO GLN
SEQRES 41 A 577 ASP THR LYS PHE ILE HIS THR LYS PRO ASN ARG PHE GLU
SEQRES 42 A 577 GLU VAL ALA TRP THR ARG TYR SER GLN LYS ASP GLN LEU
SEQRES 43 A 577 TYR LEU HIS ILE GLY LEU LYS PRO ARG VAL LYS GLU HIS
SEQRES 44 A 577 TYR ARG ALA ASN LYS VAL ASN LEU TRP LEU GLU LEU VAL
SEQRES 45 A 577 PRO HIS LEU HIS ASN
SEQRES 1 B 577 ALA ASP PRO HIS HIS HIS HIS HIS HIS GLU ASN LEU TYR
SEQRES 2 B 577 PHE GLN GLY GLN LYS LEU ASP ASP VAL ASP PRO LEU VAL
SEQRES 3 B 577 THR THR ASN PHE GLY LYS ILE ARG GLY ILE LYS LYS GLU
SEQRES 4 B 577 LEU ASN ASN GLU ILE LEU GLY PRO VAL ILE GLN PHE LEU
SEQRES 5 B 577 GLY VAL PRO TYR ALA ALA PRO PRO THR GLY GLU HIS ARG
SEQRES 6 B 577 PHE GLN PRO PRO GLU PRO PRO SER PRO TRP SER ASP ILE
SEQRES 7 B 577 ARG ASN ALA THR GLN PHE ALA PRO VAL CYS PRO GLN ASN
SEQRES 8 B 577 ILE ILE ASP GLY ARG LEU PRO GLU VAL MET LEU PRO VAL
SEQRES 9 B 577 TRP PHE THR ASN ASN LEU ASP VAL VAL SER SER TYR VAL
SEQRES 10 B 577 GLN ASP GLN SER GLU ASP CYS LEU TYR LEU ASN ILE TYR
SEQRES 11 B 577 VAL PRO THR GLU ASP ASP ILE ARG ASP SER GLY GLY PRO
SEQRES 12 B 577 LYS PRO VAL MET VAL TYR ILE HIS GLY GLY SER TYR MET
SEQRES 13 B 577 GLU GLY THR GLY ASN LEU TYR ASP GLY SER VAL LEU ALA
SEQRES 14 B 577 SER TYR GLY ASN VAL ILE VAL ILE THR VAL ASN TYR ARG
SEQRES 15 B 577 LEU GLY VAL LEU GLY PHE LEU SER THR GLY ASP GLN ALA
SEQRES 16 B 577 ALA LYS GLY ASN TYR GLY LEU LEU ASP LEU ILE GLN ALA
SEQRES 17 B 577 LEU ARG TRP THR SER GLU ASN ILE GLY PHE PHE GLY GLY
SEQRES 18 B 577 ASP PRO LEU ARG ILE THR VAL PHE GLY SER GLY ALA GLY
SEQRES 19 B 577 GLY SER CYS VAL ASN LEU LEU THR LEU SER HIS TYR SER
SEQRES 20 B 577 GLU GLY LEU PHE GLN ARG ALA ILE ALA GLN SER GLY THR
SEQRES 21 B 577 ALA LEU SER SER TRP ALA VAL SER PHE GLN PRO ALA LYS
SEQRES 22 B 577 TYR ALA ARG ILE LEU ALA THR LYS VAL GLY CYS GLN VAL
SEQRES 23 B 577 SER ASP THR VAL GLU LEU VAL GLU CYS LEU GLN LYS LYS
SEQRES 24 B 577 PRO TYR LYS GLU LEU VAL ASP GLN ASP VAL GLN PRO ALA
SEQRES 25 B 577 ARG TYR HIS ILE ALA PHE GLY PRO VAL ILE ASP GLY ASP
SEQRES 26 B 577 VAL ILE PRO ASP ASP PRO GLN ILE LEU MET GLU GLN GLY
SEQRES 27 B 577 GLU PHE LEU ASN TYR ASP ILE MET LEU GLY VAL ASN GLN
SEQRES 28 B 577 GLY GLU GLY LEU LYS PHE VAL GLU ASN ILE VAL ASP SER
SEQRES 29 B 577 ASP ASP GLY VAL SER ALA SER ASP PHE ASP PHE ALA VAL
SEQRES 30 B 577 SER ASN PHE VAL ASP ASN LEU TYR GLY TYR PRO GLU GLY
SEQRES 31 B 577 LYS ASP VAL LEU ARG GLU THR ILE LYS PHE MET TYR THR
SEQRES 32 B 577 ASP TRP ALA ASP ARG HIS ASN PRO GLU THR ARG ARG LYS
SEQRES 33 B 577 THR LEU LEU ALA LEU PHE THR ASP HIS GLN TRP VAL ALA
SEQRES 34 B 577 PRO ALA VAL ALA THR ALA ASP LEU HIS SER ASN PHE GLY
SEQRES 35 B 577 SER PRO THR TYR PHE TYR ALA PHE TYR HIS HIS CYS GLN
SEQRES 36 B 577 THR ASP GLN VAL PRO ALA TRP ALA ASP ALA ALA HIS GLY
SEQRES 37 B 577 ASP GLU VAL PRO TYR VAL LEU GLY ILE PRO MET ILE GLY
SEQRES 38 B 577 PRO THR GLU LEU PHE PRO CYS ASN PHE SER LYS ASN ASP
SEQRES 39 B 577 VAL MET LEU SER ALA VAL VAL MET THR TYR TRP THR ASN
SEQRES 40 B 577 PHE ALA LYS THR GLY ASP PRO ASN GLN PRO VAL PRO GLN
SEQRES 41 B 577 ASP THR LYS PHE ILE HIS THR LYS PRO ASN ARG PHE GLU
SEQRES 42 B 577 GLU VAL ALA TRP THR ARG TYR SER GLN LYS ASP GLN LEU
SEQRES 43 B 577 TYR LEU HIS ILE GLY LEU LYS PRO ARG VAL LYS GLU HIS
SEQRES 44 B 577 TYR ARG ALA ASN LYS VAL ASN LEU TRP LEU GLU LEU VAL
SEQRES 45 B 577 PRO HIS LEU HIS ASN
SEQRES 1 E 197 HIS SER ALA PHE ALA ALA ASP PRO GLY HIS ALA GLY THR
SEQRES 2 E 197 THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR
SEQRES 3 E 197 LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP
SEQRES 4 E 197 ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA
SEQRES 5 E 197 VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP
SEQRES 6 E 197 TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL
SEQRES 7 E 197 LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU
SEQRES 8 E 197 SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL
SEQRES 9 E 197 ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL
SEQRES 10 E 197 ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG
SEQRES 11 E 197 GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE
SEQRES 12 E 197 GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU
SEQRES 13 E 197 SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET
SEQRES 14 E 197 ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN
SEQRES 15 E 197 VAL ARG LEU VAL GLY GLU VAL PRO HIS HIS HIS HIS HIS
SEQRES 16 E 197 HIS HIS
SEQRES 1 F 197 HIS SER ALA PHE ALA ALA ASP PRO GLY HIS ALA GLY THR
SEQRES 2 F 197 THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR
SEQRES 3 F 197 LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP
SEQRES 4 F 197 ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA
SEQRES 5 F 197 VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP
SEQRES 6 F 197 TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL
SEQRES 7 F 197 LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU
SEQRES 8 F 197 SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL
SEQRES 9 F 197 ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL
SEQRES 10 F 197 ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG
SEQRES 11 F 197 GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE
SEQRES 12 F 197 GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU
SEQRES 13 F 197 SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET
SEQRES 14 F 197 ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN
SEQRES 15 F 197 VAL ARG LEU VAL GLY GLU VAL PRO HIS HIS HIS HIS HIS
SEQRES 16 F 197 HIS HIS
MODRES 3B3Q ASN A 109 ASN GLYCOSYLATION SITE
MODRES 3B3Q ASN A 547 ASN GLYCOSYLATION SITE
MODRES 3B3Q ASN B 109 ASN GLYCOSYLATION SITE
MODRES 3B3Q ASN B 547 ASN GLYCOSYLATION SITE
HET NAG A 1 14
HET NAG A 2 14
HET NAG A 636 14
HET NAG B 1 14
HET NAG B 2 14
HET NAG B 636 14
HET NAG B 637 14
HET CA E 1 1
HET CA F 2 1
HETNAM NAG N-ACETYL-D-GLUCOSAMINE
HETNAM CA CALCIUM ION
HETSYN NAG NAG
FORMUL 5 NAG 7(C8 H15 N O6)
FORMUL 9 CA 2(CA 2+)
FORMUL 11 HOH *1552(H2 O)
HELIX 1 1 THR A 90 ARG A 94 5 5
HELIX 2 2 PRO A 132 ASN A 138 1 7
HELIX 3 3 ASN A 138 VAL A 146 1 9
HELIX 4 4 THR A 208 TYR A 212 5 5
HELIX 5 5 GLY A 214 ASN A 222 1 9
HELIX 6 6 LEU A 232 LEU A 238 1 7
HELIX 7 7 ASN A 248 ILE A 265 1 18
HELIX 8 8 GLY A 266 PHE A 268 5 3
HELIX 9 9 GLY A 281 THR A 291 1 11
HELIX 10 10 GLN A 328 VAL A 340 1 13
HELIX 11 11 ASP A 346 LYS A 357 1 12
HELIX 12 12 PRO A 358 ASP A 364 1 7
HELIX 13 13 ASP A 388 GLY A 396 1 9
HELIX 14 14 GLY A 412 GLU A 417 1 6
HELIX 15 15 ASN A 418 VAL A 420 5 3
HELIX 16 16 SER A 427 GLY A 444 1 18
HELIX 17 17 ASP A 450 TYR A 460 1 11
HELIX 18 18 ASN A 468 TRP A 485 1 18
HELIX 19 19 TRP A 485 PHE A 499 1 15
HELIX 20 20 GLU A 528 LEU A 533 1 6
HELIX 21 21 SER A 549 GLY A 570 1 22
HELIX 22 22 ARG A 619 GLU A 628 1 10
HELIX 23 23 LEU A 629 HIS A 634 5 6
HELIX 24 24 THR B 90 ARG B 94 5 5
HELIX 25 25 PRO B 132 ASN B 137 1 6
HELIX 26 26 ASN B 138 VAL B 146 1 9
HELIX 27 27 THR B 208 TYR B 212 5 5
HELIX 28 28 GLY B 214 ASN B 222 1 9
HELIX 29 29 LEU B 232 LEU B 238 1 7
HELIX 30 30 ASN B 248 ILE B 265 1 18
HELIX 31 31 GLY B 266 PHE B 268 5 3
HELIX 32 32 GLY B 281 THR B 291 1 11
HELIX 33 33 GLN B 328 VAL B 340 1 13
HELIX 34 34 ASP B 346 LYS B 357 1 12
HELIX 35 35 PRO B 358 ASP B 364 1 7
HELIX 36 36 ASP B 388 GLY B 396 1 9
HELIX 37 37 GLY B 412 GLU B 417 1 6
HELIX 38 38 ASN B 418 VAL B 420 5 3
HELIX 39 39 SER B 427 GLY B 444 1 18
HELIX 40 40 ASP B 450 TYR B 460 1 11
HELIX 41 41 ASN B 468 TRP B 485 1 18
HELIX 42 42 TRP B 485 PHE B 499 1 15
HELIX 43 43 GLU B 528 LEU B 533 1 6
HELIX 44 44 SER B 549 GLY B 570 1 22
HELIX 45 45 ARG B 619 LEU B 629 1 11
HELIX 46 46 VAL B 630 HIS B 634 5 5
HELIX 47 47 VAL E 268 ALA E 273 1 6
HELIX 48 48 VAL F 268 ALA F 273 1 6
SHEET 1 A 3 LEU A 54 THR A 57 0
SHEET 2 A 3 GLY A 60 ARG A 63 -1 O GLY A 60 N THR A 57
SHEET 3 A 3 ILE A 107 ASN A 109 1 O ARG A 108 N ARG A 63
SHEET 1 B11 ILE A 65 LYS A 67 0
SHEET 2 B11 VAL A 77 PRO A 84 -1 O GLN A 79 N ILE A 65
SHEET 3 B11 TYR A 155 VAL A 160 -1 O ILE A 158 N PHE A 80
SHEET 4 B11 ILE A 224 VAL A 228 -1 O THR A 227 N ASN A 157
SHEET 5 B11 LYS A 193 TYR A 198 1 N TYR A 198 O ILE A 226
SHEET 6 B11 GLY A 270 SER A 280 1 O PHE A 278 N VAL A 197
SHEET 7 B11 ARG A 311 GLN A 315 1 O GLN A 315 N GLY A 279
SHEET 8 B11 ASP A 402 ASN A 408 1 O ASP A 402 N ALA A 312
SHEET 9 B11 THR A 503 PHE A 508 1 O PHE A 508 N VAL A 407
SHEET 10 B11 LEU A 604 ILE A 608 1 O ILE A 608 N ALA A 507
SHEET 11 B11 ARG A 613 GLU A 616 -1 O ARG A 613 N HIS A 607
SHEET 1 C 3 LEU B 54 THR B 57 0
SHEET 2 C 3 GLY B 60 ARG B 63 -1 O GLY B 60 N THR B 57
SHEET 3 C 3 ILE B 107 ASN B 109 1 O ARG B 108 N LYS B 61
SHEET 1 D11 ILE B 65 LYS B 67 0
SHEET 2 D11 VAL B 77 PRO B 84 -1 O GLN B 79 N ILE B 65
SHEET 3 D11 TYR B 155 VAL B 160 -1 O ILE B 158 N PHE B 80
SHEET 4 D11 ILE B 224 VAL B 228 -1 O THR B 227 N ASN B 157
SHEET 5 D11 LYS B 193 TYR B 198 1 N TYR B 198 O ILE B 226
SHEET 6 D11 GLY B 270 SER B 280 1 O THR B 276 N VAL B 195
SHEET 7 D11 ARG B 311 GLN B 315 1 O GLN B 315 N GLY B 279
SHEET 8 D11 ASP B 402 ASN B 408 1 O ASP B 402 N ALA B 312
SHEET 9 D11 THR B 503 PHE B 508 1 O PHE B 508 N VAL B 407
SHEET 10 D11 LEU B 604 ILE B 608 1 O ILE B 608 N ALA B 507
SHEET 11 D11 ARG B 613 GLU B 616 -1 O ARG B 613 N HIS B 607
SHEET 1 E 8 ILE E 159 GLU E 162 0
SHEET 2 E 8 LYS E 147 ASN E 153 -1 N VAL E 150 O ILE E 161
SHEET 3 E 8 TYR E 138 HIS E 144 -1 N HIS E 142 O GLY E 149
SHEET 4 E 8 GLU E 123 SER E 131 -1 N ALA E 124 O ILE E 143
SHEET 5 E 8 GLN E 240 ILE E 245 -1 O ALA E 241 N ASP E 130
SHEET 6 E 8 TYR E 87 LYS E 99 -1 N ILE E 96 O ILE E 245
SHEET 7 E 8 GLY E 256 TYR E 263 -1 O GLY E 256 N PHE E 89
SHEET 8 E 8 LEU E 266 LYS E 267 -1 O LEU E 266 N TYR E 263
SHEET 1 F 7 ILE E 195 ARG E 197 0
SHEET 2 F 7 ASN E 184 GLN E 188 -1 N LEU E 187 O ILE E 195
SHEET 3 F 7 HIS E 174 SER E 181 -1 N ARG E 177 O GLN E 188
SHEET 4 F 7 ALA E 110 THR E 119 -1 N LEU E 113 O PHE E 178
SHEET 5 F 7 GLY E 256 TYR E 263 -1 O TYR E 262 N ALA E 114
SHEET 6 F 7 TYR E 87 LYS E 99 -1 N PHE E 89 O GLY E 256
SHEET 7 F 7 ILE E 279 ARG E 286 -1 O ASN E 284 N GLY E 93
SHEET 1 G 8 ILE F 159 GLU F 162 0
SHEET 2 G 8 LYS F 147 ASN F 153 -1 N VAL F 150 O ILE F 161
SHEET 3 G 8 TYR F 138 HIS F 144 -1 N HIS F 142 O GLY F 149
SHEET 4 G 8 GLU F 123 SER F 131 -1 N ALA F 124 O ILE F 143
SHEET 5 G 8 GLN F 240 ILE F 245 -1 O ALA F 241 N ASP F 130
SHEET 6 G 8 THR F 86 LYS F 99 -1 N TYR F 98 O ILE F 243
SHEET 7 G 8 GLY F 256 TYR F 263 -1 O GLY F 256 N PHE F 89
SHEET 8 G 8 LEU F 266 LYS F 267 -1 O LEU F 266 N TYR F 263
SHEET 1 H 7 ILE F 195 ARG F 197 0
SHEET 2 H 7 ASN F 184 GLN F 188 -1 N LEU F 187 O ILE F 195
SHEET 3 H 7 HIS F 174 SER F 181 -1 N ARG F 177 O GLN F 188
SHEET 4 H 7 ALA F 110 SER F 118 -1 N PHE F 117 O HIS F 174
SHEET 5 H 7 GLY F 256 TYR F 263 -1 O TYR F 262 N ALA F 114
SHEET 6 H 7 THR F 86 LYS F 99 -1 N PHE F 89 O GLY F 256
SHEET 7 H 7 ILE F 279 VAL F 288 -1 O ASN F 284 N GLY F 93
SSBOND 1 CYS A 117 CYS A 153 1555 1555 2.04
SSBOND 2 CYS A 342 CYS A 353 1555 1555 2.04
SSBOND 3 CYS A 512 CYS A 546 1555 1555 2.04
SSBOND 4 CYS B 117 CYS B 153 1555 1555 2.04
SSBOND 5 CYS B 342 CYS B 353 1555 1555 2.03
SSBOND 6 CYS B 512 CYS B 546 1555 1555 2.03
LINK ND2 ASN A 109 C1 NAG A 1 1555 1555 1.45
LINK ND2 ASN B 109 C1 NAG B 1 1555 1555 1.45
LINK OD1 ASP E 137 CA CA E 1 1555 1555 2.32
LINK O VAL E 154 CA CA E 1 1555 1555 2.40
LINK O ILE E 236 CA CA E 1 1555 1555 2.62
LINK OD1 ASN E 238 CA CA E 1 1555 1555 2.02
LINK OD1 ASP F 137 CA CA F 2 1555 1555 2.31
LINK O VAL F 154 CA CA F 2 1555 1555 2.14
LINK O ILE F 236 CA CA F 2 1555 1555 2.03
LINK OD1 ASN F 238 CA CA F 2 1555 1555 2.49
LINK CA CA E 1 O HOH A 638 1555 1555 2.39
LINK CA CA E 1 O HOH E 300 1555 1555 2.27
LINK CA CA F 2 O HOH F 716 1555 1555 2.34
LINK CA CA F 2 O HOH B 656 1555 1555 2.60
LINK ND2 ASN A 547 C1 NAG A 636 1555 1555 1.45
LINK ND2 ASN B 547 C1 NAG B 636 1555 1555 1.44
LINK O4 NAG A 1 C1 NAG A 2 1555 1555 1.39
LINK O4 NAG B 1 C1 NAG B 2 1555 1555 1.38
LINK O4 NAG B 636 C1 NAG B 637 1555 1555 1.39
CRYST1 116.590 125.400 131.860 90.00 90.00 90.00 P 21 21 21 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 0.008577 0.000000 0.000000 0.00000
SCALE2 0.000000 0.007974 0.000000 0.00000
SCALE3 0.000000 0.000000 0.007584 0.00000
TER 4220 ASN A 635
TER 8440 ASN B 635
TER 9872 VAL E 291
TER 11304 VAL F 291
MASTER 1037 0 9 48 58 0 0 612952 4 130 122
END |