REMARK 2 REMARK 2 RESOLUTION. 3.00 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) : 3.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.82 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 118997.500 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 84.6 REMARK 3 NUMBER OF REFLECTIONS : 23223 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) : 0.267 REMARK 3 FREE R VALUE : 0.312 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2313 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 3.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.19 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 79.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3203 REMARK 3 BIN R VALUE (WORKING SET) : 0.3360 REMARK 3 BIN FREE R VALUE : 0.3530 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.70 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 343 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.019 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 4758 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 142 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -2.71000 REMARK 3 B22 (A**2) : -2.71000 REMARK 3 B33 (A**2) : 5.43000 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) : 0.41 REMARK 3 ESD FROM SIGMAA (A) : 0.48 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) : 0.49 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.52 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.009 REMARK 3 BOND ANGLES (DEGREES) : 1.60 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.90 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.94 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED 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 : FLAT MODEL REMARK 3 KSOL : 0.28 REMARK 3 BSOL : 10.00 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 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : ION.PARAM REMARK 3 PARAMETER FILE 5 : CARBOHYDRATE.PARAM REMARK 3 PARAMETER FILE 6 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : CARBOHYDRATE.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 TOPOLOGY FILE 6 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2AEQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-AUG-05. REMARK 100 THE RCSB ID CODE IS RCSB033805. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 03-OCT-03 REMARK 200 TEMPERATURE (KELVIN) : 295 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : OSMIC REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23223 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.000 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.7 REMARK 200 DATA REDUNDANCY : 2.960 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.11400 REMARK 200 FOR THE DATA SET : 10.0400 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.62 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.7 REMARK 200 DATA REDUNDANCY IN SHELL : 2.73 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.33900 REMARK 200 FOR SHELL : 3.280 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: 1NN2, 1NCA REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 64.20 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.50 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.5 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 4 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y+1/2,X+1/2,Z REMARK 290 4555 Y+1/2,-X+1/2,Z REMARK 290 5555 -X+1/2,Y+1/2,-Z REMARK 290 6555 X+1/2,-Y+1/2,-Z REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-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 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 79.87650 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 79.87650 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 79.87650 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 79.87650 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 79.87650 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 79.87650 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 79.87650 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 79.87650 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 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: DODECAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, L, H 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 BIOMT1 2 -1.000000 0.000000 0.000000 319.50600 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 159.75300 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 0.000000 -1.000000 0.000000 239.62950 REMARK 350 BIOMT2 3 1.000000 0.000000 0.000000 -79.87650 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 4 0.000000 1.000000 0.000000 79.87650 REMARK 350 BIOMT2 4 -1.000000 0.000000 0.000000 239.62950 REMARK 350 BIOMT3 4 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 LYS A 75 REMARK 465 GLU A 76 REMARK 465 ILE A 77 REMARK 465 CYS A 78 REMARK 465 PRO A 79 REMARK 465 LYS A 80 REMARK 465 LEU A 81 REMARK 465 ARG L 108 REMARK 465 ALA L 109 REMARK 465 ASP L 110 REMARK 465 ALA L 111 REMARK 465 ALA L 112 REMARK 465 PRO L 113 REMARK 465 THR L 114 REMARK 465 VAL L 115 REMARK 465 SER L 116 REMARK 465 ILE L 117 REMARK 465 PHE L 118 REMARK 465 PRO L 119 REMARK 465 PRO L 120 REMARK 465 SER L 121 REMARK 465 SER L 122 REMARK 465 GLU L 123 REMARK 465 GLN L 124 REMARK 465 LEU L 125 REMARK 465 THR L 126 REMARK 465 SER L 127 REMARK 465 GLY L 128 REMARK 465 GLY L 129 REMARK 465 ALA L 130 REMARK 465 SER L 131 REMARK 465 VAL L 132 REMARK 465 VAL L 133 REMARK 465 CYS L 134 REMARK 465 PHE L 135 REMARK 465 LEU L 136 REMARK 465 ASN L 137 REMARK 465 ASN L 138 REMARK 465 PHE L 139 REMARK 465 TYR L 140 REMARK 465 PRO L 141 REMARK 465 LYS L 142 REMARK 465 ASP L 143 REMARK 465 ILE L 144 REMARK 465 ASN L 145 REMARK 465 VAL L 146 REMARK 465 LYS L 147 REMARK 465 TRP L 148 REMARK 465 LYS L 149 REMARK 465 ILE L 150 REMARK 465 ASP L 151 REMARK 465 GLY L 152 REMARK 465 SER L 153 REMARK 465 GLU L 154 REMARK 465 ARG L 155 REMARK 465 GLN L 156 REMARK 465 ASN L 157 REMARK 465 GLY L 158 REMARK 465 VAL L 159 REMARK 465 LEU L 160 REMARK 465 ASN L 161 REMARK 465 SER L 162 REMARK 465 TRP L 163 REMARK 465 THR L 164 REMARK 465 ASP L 165 REMARK 465 GLN L 166 REMARK 465 ASP L 167 REMARK 465 SER L 168 REMARK 465 LYS L 169 REMARK 465 ASP L 170 REMARK 465 SER L 171 REMARK 465 THR L 172 REMARK 465 TYR L 173 REMARK 465 SER L 174 REMARK 465 MET L 175 REMARK 465 SER L 176 REMARK 465 SER L 177 REMARK 465 THR L 178 REMARK 465 LEU L 179 REMARK 465 THR L 180 REMARK 465 LEU L 181 REMARK 465 THR L 182 REMARK 465 LYS L 183 REMARK 465 ASP L 184 REMARK 465 GLU L 185 REMARK 465 TYR L 186 REMARK 465 GLU L 187 REMARK 465 ARG L 188 REMARK 465 HIS L 189 REMARK 465 ASN L 190 REMARK 465 SER L 191 REMARK 465 TYR L 192 REMARK 465 THR L 193 REMARK 465 CYS L 194 REMARK 465 GLU L 195 REMARK 465 ALA L 196 REMARK 465 THR L 197 REMARK 465 HIS L 198 REMARK 465 LYS L 199 REMARK 465 THR L 200 REMARK 465 SER L 201 REMARK 465 THR L 202 REMARK 465 SER L 203 REMARK 465 PRO L 204 REMARK 465 ILE L 205 REMARK 465 VAL L 206 REMARK 465 LYS L 207 REMARK 465 SER L 208 REMARK 465 PHE L 209 REMARK 465 ASN L 210 REMARK 465 ARG L 211 REMARK 465 ASN L 212 REMARK 465 GLU L 213 REMARK 465 CYS L 214 REMARK 465 THR H 117 REMARK 465 VAL H 118 REMARK 465 SER H 119 REMARK 465 SER H 120 REMARK 465 ALA H 121 REMARK 465 LYS H 122 REMARK 465 THR H 123 REMARK 465 THR H 124 REMARK 465 ALA H 125 REMARK 465 PRO H 126 REMARK 465 SER H 127 REMARK 465 VAL H 128 REMARK 465 TYR H 129 REMARK 465 PRO H 130 REMARK 465 LEU H 131 REMARK 465 ALA H 132 REMARK 465 PRO H 133 REMARK 465 VAL H 134 REMARK 465 CYS H 135 REMARK 465 GLY H 136 REMARK 465 ASP H 137 REMARK 465 THR H 138 REMARK 465 THR H 139 REMARK 465 GLY H 140 REMARK 465 SER H 141 REMARK 465 SER H 142 REMARK 465 VAL H 143 REMARK 465 THR H 144 REMARK 465 LEU H 145 REMARK 465 GLY H 146 REMARK 465 CYS H 147 REMARK 465 LEU H 148 REMARK 465 VAL H 149 REMARK 465 LYS H 150 REMARK 465 GLY H 151 REMARK 465 TYR H 152 REMARK 465 PHE H 153 REMARK 465 PRO H 154 REMARK 465 GLU H 155 REMARK 465 PRO H 156 REMARK 465 VAL H 157 REMARK 465 THR H 158 REMARK 465 LEU H 159 REMARK 465 THR H 160 REMARK 465 TRP H 161 REMARK 465 ASN H 162 REMARK 465 SER H 163 REMARK 465 GLY H 164 REMARK 465 SER H 165 REMARK 465 LEU H 166 REMARK 465 SER H 167 REMARK 465 SER H 168 REMARK 465 GLY H 169 REMARK 465 VAL H 170 REMARK 465 HIS H 171 REMARK 465 THR H 172 REMARK 465 PHE H 173 REMARK 465 PRO H 174 REMARK 465 ALA H 175 REMARK 465 VAL H 176 REMARK 465 LEU H 177 REMARK 465 GLN H 178 REMARK 465 SER H 179 REMARK 465 ASP H 180 REMARK 465 LEU H 181 REMARK 465 TYR H 182 REMARK 465 THR H 183 REMARK 465 LEU H 184 REMARK 465 SER H 185 REMARK 465 SER H 186 REMARK 465 SER H 187 REMARK 465 VAL H 188 REMARK 465 THR H 189 REMARK 465 VAL H 190 REMARK 465 THR H 191 REMARK 465 SER H 192 REMARK 465 SER H 193 REMARK 465 THR H 194 REMARK 465 TRP H 195 REMARK 465 PRO H 196 REMARK 465 SER H 197 REMARK 465 GLN H 198 REMARK 465 SER H 199 REMARK 465 ILE H 200 REMARK 465 THR H 201 REMARK 465 CYS H 202 REMARK 465 ASN H 203 REMARK 465 VAL H 204 REMARK 465 ALA H 205 REMARK 465 HIS H 206 REMARK 465 PRO H 207 REMARK 465 ALA H 208 REMARK 465 SER H 209 REMARK 465 SER H 210 REMARK 465 THR H 211 REMARK 465 LYS H 212 REMARK 465 VAL H 213 REMARK 465 ASP H 214 REMARK 465 LYS H 215 REMARK 465 LYS H 216 REMARK 465 ILE H 217 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 TRP A 87 44.53 32.11 REMARK 500 CYS A 92 155.38 -42.27 REMARK 500 SER A 101 148.83 -171.27 REMARK 500 ASN A 104 37.26 24.26 REMARK 500 ASP A 113 96.60 -66.21 REMARK 500 ARG A 118 167.15 168.05 REMARK 500 PRO A 126 2.98 -68.88 REMARK 500 SER A 181 138.50 -173.82 REMARK 500 LYS A 187 -51.23 -128.26 REMARK 500 ASN A 200 61.47 -165.97 REMARK 500 LYS A 221 53.12 -140.70 REMARK 500 ILE A 222 75.80 59.05 REMARK 500 GLU A 227 26.08 82.86 REMARK 500 TYR A 284 137.19 -29.76 REMARK 500 SER A 315 -165.00 -161.42 REMARK 500 SER A 319 127.67 -20.03 REMARK 500 VAL A 322 153.09 59.91 REMARK 500 SER A 335 -67.21 -140.81 REMARK 500 CYS A 337 -9.92 52.41 REMARK 500 ASN A 341 -8.28 -46.79 REMARK 500 ALA A 353 137.58 -175.51 REMARK 500 ARG A 364 170.02 178.65 REMARK 500 ARG A 371 67.60 -113.20 REMARK 500 PHE A 377 172.83 169.72 REMARK 500 SER A 404 -140.50 -124.88 REMARK 500 LYS A 431 -93.61 112.82 REMARK 500 PRO A 468 -176.22 -69.92 REMARK 500 GLN L 8 27.30 -175.93 REMARK 500 LYS L 9 -52.13 -16.49 REMARK 500 LEU L 11 128.13 -172.11 REMARK 500 ASP L 17 -131.85 -91.05 REMARK 500 ASN L 32 50.24 -92.93 REMARK 500 VAL L 78 160.34 -43.52 REMARK 500 ALA L 84 -175.58 168.79 REMARK 500 PHE L 91 34.14 -140.15 REMARK 500 LEU L 106 -159.69 -64.50 REMARK 500 PRO H 14 95.17 -49.61 REMARK 500 SER H 25 126.48 176.71 REMARK 500 THR H 28 90.16 -48.72 REMARK 500 ILE H 30 101.48 -59.01 REMARK 500 ASP H 31 -21.30 155.61 REMARK 500 PRO H 40 162.15 -46.08 REMARK 500 PRO H 41 -60.09 -28.48 REMARK 500 LYS H 43 -164.86 -122.88 REMARK 500 LEU H 45 154.90 -45.13 REMARK 500 ASN H 56 -40.50 57.81 REMARK 500 LEU H 66 -75.44 -95.08 REMARK 500 LYS H 67 121.08 57.57 REMARK 500 ASP H 75 79.61 -101.40 REMARK 500 THR H 87 -173.28 72.14 REMARK 500 REMARK 500 THIS ENTRY HAS 56 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 NAG A 501 REMARK 610 NAG L 215 REMARK 610 NAG L 216 REMARK 610 MAN L 217 REMARK 610 MAN H 218 REMARK 610 MAN H 219 REMARK 610 MAN L 218 REMARK 610 NAG A 1 REMARK 610 NAG A 2 REMARK 610 NAG A 502 REMARK 610 NAG A 503 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG A 501 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG L 215 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG L 216 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MAN L 217 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MAN H 218 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MAN H 219 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MAN L 218 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG A 1 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG A 2 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG A 502 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG A 503 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2AEP RELATED DB: PDB REMARK 900 SAME COMPLEX. LOW TEMPERATURE DATA.