REMARK 2 REMARK 2 RESOLUTION. 2.05 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : BUSTER 2.11.2 REMARK 3 AUTHORS : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER, REMARK 3 : PACIOREK,ROVERSI,SHARFF,SMART,VONRHEIN, REMARK 3 : WOMACK,MATTHEWS,TEN EYCK,TRONRUD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.05 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 48.35 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.7 REMARK 3 NUMBER OF REFLECTIONS : 104881 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 + TEST SET) : 0.200 REMARK 3 R VALUE (WORKING SET) : 0.198 REMARK 3 FREE R VALUE : 0.235 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.990 REMARK 3 FREE R VALUE TEST SET COUNT : 5235 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 : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (ANGSTROMS) : 2.05 REMARK 3 BIN RESOLUTION RANGE LOW (ANGSTROMS) : 2.10 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.72 REMARK 3 REFLECTIONS IN BIN (WORKING + TEST SET) : 6983 REMARK 3 BIN R VALUE (WORKING + TEST SET) : 0.2303 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 6646 REMARK 3 BIN R VALUE (WORKING SET) : 0.2293 REMARK 3 BIN FREE R VALUE : 0.2494 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.83 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 337 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 9642 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 5 REMARK 3 SOLVENT ATOMS : 557 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 41.34 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 50.89 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 10.31360 REMARK 3 B22 (A**2) : 7.01120 REMARK 3 B33 (A**2) : -17.32480 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.28 REMARK 3 DPI (BLOW EQ-10) BASED ON R VALUE (A) : NULL REMARK 3 DPI (BLOW EQ-9) BASED ON FREE R VALUE (A) : NULL REMARK 3 DPI (CRUICKSHANK) BASED ON R VALUE (A) : 0.16 REMARK 3 DPI (CRUICKSHANK) BASED ON FREE R VALUE (A) : NULL REMARK 3 REMARK 3 REFERENCES: BLOW, D. (2002) ACTA CRYST D58, 792-797 REMARK 3 CRUICKSHANK, D.W.J. (1999) ACTA CRYST D55, 583-601 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.925 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.908 REMARK 3 REMARK 3 NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15 REMARK 3 TERM COUNT WEIGHT FUNCTION. REMARK 3 BOND LENGTHS : 9905 ; 2.000 ; HARMONIC REMARK 3 BOND ANGLES : 13506 ; 2.000 ; HARMONIC REMARK 3 TORSION ANGLES : 3239 ; 2.000 ; SINUSOIDAL REMARK 3 TRIGONAL CARBON PLANES : 206 ; 2.000 ; HARMONIC REMARK 3 GENERAL PLANES : 1454 ; 5.000 ; HARMONIC REMARK 3 ISOTROPIC THERMAL FACTORS : 9905 ; 20.000 ; HARMONIC REMARK 3 BAD NON-BONDED CONTACTS : NULL ; NULL ; NULL REMARK 3 IMPROPER TORSIONS : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES : NULL ; NULL ; NULL REMARK 3 CHIRAL IMPROPER TORSION : 1306 ; 5.000 ; SEMIHARMONIC REMARK 3 SUM OF OCCUPANCIES : NULL ; NULL ; NULL REMARK 3 UTILITY DISTANCES : NULL ; NULL ; NULL REMARK 3 UTILITY ANGLES : NULL ; NULL ; NULL REMARK 3 UTILITY TORSION : NULL ; NULL ; NULL REMARK 3 IDEAL-DIST CONTACT TERM : 10961 ; 4.000 ; SEMIHARMONIC REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 1.15 REMARK 3 PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 3.76 REMARK 3 OTHER TORSION ANGLES (DEGREES) : 17.94 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4JZN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-APR-13. REMARK 100 THE RCSB ID CODE IS RCSB078705. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 04-JUN-12 REMARK 200 TEMPERATURE (KELVIN) : 110 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SLS REMARK 200 BEAMLINE : X06SA REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000 REMARK 200 MONOCHROMATOR : LN2 COOLED FIXED-EXIT SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 104942 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.050 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 200 DATA REDUNDANCY : 4.800 REMARK 200 R MERGE (I) : 0.04500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 16.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.05 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.16 REMARK 200 COMPLETENESS FOR SHELL (%) : 89.8 REMARK 200 DATA REDUNDANCY IN SHELL : 3.20 REMARK 200 R MERGE FOR SHELL (I) : 0.42200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.000 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: 2XZA AND 3QOT REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.65 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.77 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 100MM TRIS PH 8.0 19% PEG4000 170MM REMARK 280 LITHIUM SULFATE 15% GLYCEROL, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-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 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 134.66150 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 134.66150 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 38.26050 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 82.78400 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 38.26050 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 82.78400 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 134.66150 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 38.26050 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 82.78400 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 134.66150 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 38.26050 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 82.78400 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3370 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19410 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3370 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19310 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -22.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, 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 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4670 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19640 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -47.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: K, I, P 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 LEU A 29 REMARK 465 SER A 30 REMARK 465 ASN A 31 REMARK 465 SER A 133 REMARK 465 SER A 134 REMARK 465 LYS A 135 REMARK 465 SER A 136 REMARK 465 THR A 137 REMARK 465 SER A 138 REMARK 465 CYS A 222 REMARK 465 ASP A 223 REMARK 465 LYS A 224 REMARK 465 LEU A 225 REMARK 465 GLU A 226 REMARK 465 ASP A 227 REMARK 465 ASP A 228 REMARK 465 ASP A 229 REMARK 465 ASP A 230 REMARK 465 LYS A 231 REMARK 465 ALA A 232 REMARK 465 GLY A 233 REMARK 465 TRP A 234 REMARK 465 SER A 235 REMARK 465 HIS A 236 REMARK 465 PRO A 237 REMARK 465 GLN A 238 REMARK 465 PHE A 239 REMARK 465 GLU A 240 REMARK 465 LYS A 241 REMARK 465 GLY A 242 REMARK 465 GLY A 243 REMARK 465 GLY A 244 REMARK 465 SER A 245 REMARK 465 GLY A 246 REMARK 465 GLY A 247 REMARK 465 GLY A 248 REMARK 465 SER A 249 REMARK 465 GLY A 250 REMARK 465 GLY A 251 REMARK 465 GLY A 252 REMARK 465 SER A 253 REMARK 465 TRP A 254 REMARK 465 SER A 255 REMARK 465 HIS A 256 REMARK 465 PRO A 257 REMARK 465 GLN A 258 REMARK 465 PHE A 259 REMARK 465 GLU A 260 REMARK 465 LYS A 261 REMARK 465 ARG B -1 REMARK 465 SER B 0 REMARK 465 GLN C 1 REMARK 465 ALA C 24 REMARK 465 SER C 25 REMARK 465 GLY C 26 REMARK 465 GLY C 27 REMARK 465 THR C 28 REMARK 465 LEU C 29 REMARK 465 SER C 30 REMARK 465 ASN C 31 REMARK 465 ALA C 72 REMARK 465 ASP C 73 REMARK 465 GLU C 74 REMARK 465 SER C 75 REMARK 465 THR C 76 REMARK 465 SER C 77 REMARK 465 ILE C 78 REMARK 465 SER C 136 REMARK 465 THR C 137 REMARK 465 SER C 138 REMARK 465 ASP C 223 REMARK 465 LYS C 224 REMARK 465 LEU C 225 REMARK 465 GLU C 226 REMARK 465 ASP C 227 REMARK 465 ASP C 228 REMARK 465 ASP C 229 REMARK 465 ASP C 230 REMARK 465 LYS C 231 REMARK 465 ALA C 232 REMARK 465 GLY C 233 REMARK 465 TRP C 234 REMARK 465 SER C 235 REMARK 465 HIS C 236 REMARK 465 PRO C 237 REMARK 465 GLN C 238 REMARK 465 PHE C 239 REMARK 465 GLU C 240 REMARK 465 LYS C 241 REMARK 465 GLY C 242 REMARK 465 GLY C 243 REMARK 465 GLY C 244 REMARK 465 SER C 245 REMARK 465 GLY C 246 REMARK 465 GLY C 247 REMARK 465 GLY C 248 REMARK 465 SER C 249 REMARK 465 GLY C 250 REMARK 465 GLY C 251 REMARK 465 GLY C 252 REMARK 465 SER C 253 REMARK 465 TRP C 254 REMARK 465 SER C 255 REMARK 465 HIS C 256 REMARK 465 PRO C 257 REMARK 465 GLN C 258 REMARK 465 PHE C 259 REMARK 465 GLU C 260 REMARK 465 LYS C 261 REMARK 465 ARG D -1 REMARK 465 SER D 0 REMARK 465 CYS D 213 REMARK 465 SER I 133 REMARK 465 SER I 134 REMARK 465 LYS I 135 REMARK 465 SER I 136 REMARK 465 THR I 137 REMARK 465 SER I 138 REMARK 465 CYS I 222 REMARK 465 ASP I 223 REMARK 465 LYS I 224 REMARK 465 LEU I 225 REMARK 465 GLU I 226 REMARK 465 ASP I 227 REMARK 465 ASP I 228 REMARK 465 ASP I 229 REMARK 465 ASP I 230 REMARK 465 LYS I 231 REMARK 465 ALA I 232 REMARK 465 GLY I 233 REMARK 465 TRP I 234 REMARK 465 SER I 235 REMARK 465 HIS I 236 REMARK 465 PRO I 237 REMARK 465 GLN I 238 REMARK 465 PHE I 239 REMARK 465 GLU I 240 REMARK 465 LYS I 241 REMARK 465 GLY I 242 REMARK 465 GLY I 243 REMARK 465 GLY I 244 REMARK 465 SER I 245 REMARK 465 GLY I 246 REMARK 465 GLY I 247 REMARK 465 GLY I 248 REMARK 465 SER I 249 REMARK 465 GLY I 250 REMARK 465 GLY I 251 REMARK 465 GLY I 252 REMARK 465 SER I 253 REMARK 465 TRP I 254 REMARK 465 SER I 255 REMARK 465 HIS I 256 REMARK 465 PRO I 257 REMARK 465 GLN I 258 REMARK 465 PHE I 259 REMARK 465 GLU I 260 REMARK 465 LYS I 261 REMARK 465 ASN K 434 REMARK 465 ARG P -1 REMARK 465 CYS P 213 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 SER A 16 -169.43 -111.34 REMARK 500 SER A 25 -80.23 -30.56 REMARK 500 SER A 102 9.23 58.45 REMARK 500 ASP A 150 66.77 60.38 REMARK 500 THR A 197 -64.08 -109.73 REMARK 500 ASN B 25 104.08 -59.11 REMARK 500 ASP B 50 -56.11 72.03 REMARK 500 ASN B 151 -3.48 71.74 REMARK 500 ARG C 56 33.41 38.48 REMARK 500 ASN D 25 104.26 -59.27 REMARK 500 ASP D 50 -41.49 62.97 REMARK 500 PRO D 140 -179.60 -68.71 REMARK 500 ASN D 151 -3.82 72.84 REMARK 500 ARG I 56 24.74 48.54 REMARK 500 ASP I 150 66.27 60.02 REMARK 500 ASN P 25 104.85 -58.41 REMARK 500 ASP P 50 -51.30 68.64 REMARK 500 ASN P 151 -3.74 72.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 SER A 25 24.8 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 K 501 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN K OF ENVELOPE REMARK 800 GLYCOPROTEIN E2 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4JZO RELATED DB: PDB