HEADER IMMUNE SYSTEM/VIRAL PROTEIN 18-DEC-23 8VEE TITLE CRYO-EM STRUCTURE OF ANTIBODY T5-1E08 IN COMPLEX WITH H7N9 INFLUENZA TITLE 2 HEMAGGLUTININ TRIMER (A/SHANGHAI/2/13) COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEMAGGLUTININ; COMPND 3 CHAIN: A, C, E; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: T5-1E08 FAB HEAVY CHAIN; COMPND 7 CHAIN: H, G, J; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: T5-1E08 FAB LIGHT CHAIN; COMPND 11 CHAIN: L, I, K; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; SOURCE 3 ORGANISM_TAXID: 11320; SOURCE 4 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 8 ORGANISM_TAXID: 9606; SOURCE 9 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 10 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 11 MOL_ID: 3; SOURCE 12 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 13 ORGANISM_TAXID: 9606; SOURCE 14 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 15 EXPRESSION_SYSTEM_TAXID: 9606 KEYWDS GROUP 2, INFLUENZA, ANTIBODY MATURATION, CRYO-EM, FAB, TRIMER, SPIKE, KEYWDS 2 HEMAGGLUTININ, IMMUNE SYSTEM, VIRAL PROTEIN, IMMUNE SYSTEM-VIRAL KEYWDS 3 PROTEIN COMPLEX EXPDTA ELECTRON MICROSCOPY AUTHOR G.CERUTTI,R.G.CASNER,L.SHAPIRO REVDAT 1 19-MAR-25 8VEE 0 JRNL AUTH G.CERUTTI,R.G.CASNER,L.SHAPIRO JRNL TITL CRYO-EM STRUCTURE OF ANTIBODY T5-1E08 IN COMPLEX WITH H7N9 JRNL TITL 2 INFLUENZA HEMAGGLUTININ TRIMER (A/SHANGHAI/2/13) JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 3.18 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : NULL REMARK 3 RECONSTRUCTION SCHEMA : NULL REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : NULL REMARK 3 REFINEMENT SPACE : NULL REMARK 3 REFINEMENT PROTOCOL : NULL REMARK 3 REFINEMENT TARGET : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL REMARK 3 REMARK 3 FITTING PROCEDURE : NULL REMARK 3 REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 3.180 REMARK 3 NUMBER OF PARTICLES : 69542 REMARK 3 CTF CORRECTION METHOD : PHASE FLIPPING AND AMPLITUDE REMARK 3 CORRECTION REMARK 3 REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL REMARK 3 REMARK 3 OTHER DETAILS: NULL REMARK 4 REMARK 4 8VEE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-DEC-23. REMARK 100 THE DEPOSITION ID IS D_1000276635. REMARK 245 REMARK 245 EXPERIMENTAL DETAILS REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE REMARK 245 SPECIMEN TYPE : NULL REMARK 245 REMARK 245 ELECTRON MICROSCOPE SAMPLE REMARK 245 SAMPLE TYPE : PARTICLE REMARK 245 PARTICLE TYPE : POINT REMARK 245 NAME OF SAMPLE : ANTIBODY T5-1E08 FAB IN COMPLEX REMARK 245 WITH INFLUENZA HEMAGGLUTININ REMARK 245 TRIMER REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 7.20 REMARK 245 SAMPLE DETAILS : NULL REMARK 245 REMARK 245 DATA ACQUISITION REMARK 245 DATE OF EXPERIMENT : NULL REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : NULL REMARK 245 TEMPERATURE (KELVIN) : NULL REMARK 245 MICROSCOPE MODEL : FEI TITAN KRIOS REMARK 245 DETECTOR TYPE : GATAN K3 BIOQUANTUM (6K X REMARK 245 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 800.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 2000.00 REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 NOMINAL CS : NULL REMARK 245 IMAGING MODE : BRIGHT FIELD REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 4192.00 REMARK 245 ILLUMINATION MODE : OTHER REMARK 245 NOMINAL MAGNIFICATION : NULL REMARK 245 CALIBRATED MAGNIFICATION : NULL REMARK 245 SOURCE : FIELD EMISSION GUN REMARK 245 ACCELERATION VOLTAGE (KV) : 300 REMARK 245 IMAGING DETAILS : NULL REMARK 247 REMARK 247 ELECTRON MICROSCOPY REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION REMARK 247 OF THE STRUCTURE FACTORS. 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: NONAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, H, L, C, G, I, E, J, K, M, REMARK 350 AND CHAINS: N, O, P, Q, R, S, T, U 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 MET A -7 REMARK 465 ASN A -6 REMARK 465 THR A -5 REMARK 465 GLN A -4 REMARK 465 ILE A -3 REMARK 465 LEU A -2 REMARK 465 VAL A -1 REMARK 465 PHE A 0 REMARK 465 ALA A 1 REMARK 465 LEU A 2 REMARK 465 ILE A 3 REMARK 465 ALA A 4 REMARK 465 ILE A 5 REMARK 465 ILE A 6 REMARK 465 PRO A 7 REMARK 465 THR A 8 REMARK 465 ASN A 9 REMARK 465 ALA A 10 REMARK 465 PRO A 328 REMARK 465 LYS A 329 REMARK 465 GLY A 330 REMARK 465 ARG A 331 REMARK 465 GLY A 1001 REMARK 465 LEU A 1002 REMARK 465 PHE A 1003 REMARK 465 GLY A 1004 REMARK 465 ILE A 1173 REMARK 465 ASP A 1174 REMARK 465 PRO A 1175 REMARK 465 VAL A 1176 REMARK 465 LYS A 1177 REMARK 465 LEU A 1178 REMARK 465 SER A 1179 REMARK 465 SER A 1180 REMARK 465 GLY A 1181 REMARK 465 TYR A 1182 REMARK 465 LYS A 1183 REMARK 465 ASP A 1184 REMARK 465 VAL A 1185 REMARK 465 ILE A 1186 REMARK 465 LEU A 1187 REMARK 465 TRP A 1188 REMARK 465 PHE A 1189 REMARK 465 SER A 1190 REMARK 465 PHE A 1191 REMARK 465 GLY A 1192 REMARK 465 ALA A 1193 REMARK 465 SER A 1194 REMARK 465 CYS A 1195 REMARK 465 PHE A 1196 REMARK 465 ILE A 1197 REMARK 465 LEU A 1198 REMARK 465 LEU A 1199 REMARK 465 ALA A 1200 REMARK 465 ILE A 1201 REMARK 465 ALA A 1202 REMARK 465 MET A 1203 REMARK 465 GLY A 1204 REMARK 465 LEU A 1205 REMARK 465 VAL A 1206 REMARK 465 PHE A 1207 REMARK 465 ILE A 1208 REMARK 465 CYS A 1209 REMARK 465 VAL A 1210 REMARK 465 LYS A 1211 REMARK 465 ASN A 1212 REMARK 465 GLY A 1213 REMARK 465 ASN A 1214 REMARK 465 MET A 1215 REMARK 465 ARG A 1216 REMARK 465 CYS A 1217 REMARK 465 THR A 1218 REMARK 465 ILE A 1219 REMARK 465 CYS A 1220 REMARK 465 ILE A 1221 REMARK 465 VAL H 111 REMARK 465 SER H 112 REMARK 465 SER H 113 REMARK 465 ALA H 114 REMARK 465 SER H 115 REMARK 465 THR H 116 REMARK 465 LYS H 117 REMARK 465 GLY H 118 REMARK 465 PRO H 119 REMARK 465 SER H 120 REMARK 465 VAL H 121 REMARK 465 PHE H 122 REMARK 465 PRO H 123 REMARK 465 LEU H 124 REMARK 465 ALA H 125 REMARK 465 PRO H 126 REMARK 465 SER H 127 REMARK 465 SER H 128 REMARK 465 LYS H 129 REMARK 465 SER H 130 REMARK 465 THR H 131 REMARK 465 SER H 132 REMARK 465 GLY H 133 REMARK 465 GLY H 134 REMARK 465 THR H 135 REMARK 465 ALA H 136 REMARK 465 ALA H 137 REMARK 465 LEU H 138 REMARK 465 GLY H 139 REMARK 465 CYS H 140 REMARK 465 LEU H 141 REMARK 465 VAL H 142 REMARK 465 LYS H 143 REMARK 465 ASP H 144 REMARK 465 TYR H 145 REMARK 465 PHE H 146 REMARK 465 PRO H 147 REMARK 465 GLU H 148 REMARK 465 PRO H 149 REMARK 465 VAL H 150 REMARK 465 THR H 151 REMARK 465 VAL H 152 REMARK 465 SER H 153 REMARK 465 TRP H 154 REMARK 465 ASN H 155 REMARK 465 SER H 156 REMARK 465 GLY H 157 REMARK 465 ALA H 158 REMARK 465 LEU H 159 REMARK 465 THR H 160 REMARK 465 SER H 161 REMARK 465 GLY H 162 REMARK 465 VAL H 163 REMARK 465 HIS H 164 REMARK 465 THR H 165 REMARK 465 PHE H 166 REMARK 465 PRO H 167 REMARK 465 ALA H 168 REMARK 465 VAL H 169 REMARK 465 LEU H 170 REMARK 465 GLN H 171 REMARK 465 SER H 172 REMARK 465 SER H 173 REMARK 465 GLY H 174 REMARK 465 LEU H 175 REMARK 465 TYR H 176 REMARK 465 SER H 177 REMARK 465 LEU H 178 REMARK 465 SER H 179 REMARK 465 SER H 180 REMARK 465 VAL H 181 REMARK 465 VAL H 182 REMARK 465 THR H 183 REMARK 465 VAL H 184 REMARK 465 PRO H 185 REMARK 465 SER H 186 REMARK 465 SER H 187 REMARK 465 SER H 188 REMARK 465 LEU H 189 REMARK 465 GLY H 190 REMARK 465 THR H 191 REMARK 465 GLN H 192 REMARK 465 THR H 193 REMARK 465 TYR H 194 REMARK 465 ILE H 195 REMARK 465 CYS H 196 REMARK 465 ASN H 197 REMARK 465 VAL H 198 REMARK 465 ASN H 199 REMARK 465 HIS H 200 REMARK 465 LYS H 201 REMARK 465 PRO H 202 REMARK 465 SER H 203 REMARK 465 ASN H 204 REMARK 465 THR H 205 REMARK 465 LYS H 206 REMARK 465 VAL H 207 REMARK 465 ASP H 208 REMARK 465 LYS H 209 REMARK 465 LYS H 210 REMARK 465 VAL H 211 REMARK 465 GLU H 212 REMARK 465 PRO H 213 REMARK 465 LYS H 214 REMARK 465 SER H 215 REMARK 465 CYS H 216 REMARK 465 ASP H 217 REMARK 465 LYS H 218 REMARK 465 THR H 219 REMARK 465 HIS H 220 REMARK 465 ILE L 106 REMARK 465 LYS L 107 REMARK 465 ARG L 108 REMARK 465 THR L 109 REMARK 465 VAL L 110 REMARK 465 ALA L 111 REMARK 465 ALA L 112 REMARK 465 PRO L 113 REMARK 465 SER L 114 REMARK 465 VAL L 115 REMARK 465 PHE 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 ASP L 122 REMARK 465 GLU L 123 REMARK 465 GLN L 124 REMARK 465 LEU L 125 REMARK 465 LYS L 126 REMARK 465 SER L 127 REMARK 465 GLY L 128 REMARK 465 THR 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 LEU 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 ARG L 142 REMARK 465 GLU L 143 REMARK 465 ALA L 144 REMARK 465 LYS L 145 REMARK 465 VAL L 146 REMARK 465 GLN L 147 REMARK 465 TRP L 148 REMARK 465 LYS L 149 REMARK 465 VAL L 150 REMARK 465 ASP L 151 REMARK 465 ASN L 152 REMARK 465 ALA L 153 REMARK 465 LEU L 154 REMARK 465 GLN L 155 REMARK 465 SER L 156 REMARK 465 GLY L 157 REMARK 465 ASN L 158 REMARK 465 SER L 159 REMARK 465 GLN L 160 REMARK 465 GLU L 161 REMARK 465 SER L 162 REMARK 465 VAL L 163 REMARK 465 THR L 164 REMARK 465 GLU 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 LEU 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 SER L 182 REMARK 465 LYS L 183 REMARK 465 ALA L 184 REMARK 465 ASP L 185 REMARK 465 TYR L 186 REMARK 465 GLU L 187 REMARK 465 LYS L 188 REMARK 465 HIS L 189 REMARK 465 LYS L 190 REMARK 465 VAL L 191 REMARK 465 TYR L 192 REMARK 465 ALA L 193 REMARK 465 CYS L 194 REMARK 465 GLU L 195 REMARK 465 VAL L 196 REMARK 465 THR L 197 REMARK 465 HIS L 198 REMARK 465 GLN L 199 REMARK 465 GLY L 200 REMARK 465 LEU L 201 REMARK 465 SER L 202 REMARK 465 SER L 203 REMARK 465 PRO L 204 REMARK 465 VAL L 205 REMARK 465 THR 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 GLY L 212 REMARK 465 GLU L 213 REMARK 465 CYS L 214 REMARK 465 MET C -7 REMARK 465 ASN C -6 REMARK 465 THR C -5 REMARK 465 GLN C -4 REMARK 465 ILE C -3 REMARK 465 LEU C -2 REMARK 465 VAL C -1 REMARK 465 PHE C 0 REMARK 465 ALA C 1 REMARK 465 LEU C 2 REMARK 465 ILE C 3 REMARK 465 ALA C 4 REMARK 465 ILE C 5 REMARK 465 ILE C 6 REMARK 465 PRO C 7 REMARK 465 THR C 8 REMARK 465 ASN C 9 REMARK 465 ALA C 10 REMARK 465 PRO C 328 REMARK 465 LYS C 329 REMARK 465 GLY C 330 REMARK 465 ARG C 331 REMARK 465 GLY C 1001 REMARK 465 LEU C 1002 REMARK 465 PHE C 1003 REMARK 465 GLY C 1004 REMARK 465 ILE C 1173 REMARK 465 ASP C 1174 REMARK 465 PRO C 1175 REMARK 465 VAL C 1176 REMARK 465 LYS C 1177 REMARK 465 LEU C 1178 REMARK 465 SER C 1179 REMARK 465 SER C 1180 REMARK 465 GLY C 1181 REMARK 465 TYR C 1182 REMARK 465 LYS C 1183 REMARK 465 ASP C 1184 REMARK 465 VAL C 1185 REMARK 465 ILE C 1186 REMARK 465 LEU C 1187 REMARK 465 TRP C 1188 REMARK 465 PHE C 1189 REMARK 465 SER C 1190 REMARK 465 PHE C 1191 REMARK 465 GLY C 1192 REMARK 465 ALA C 1193 REMARK 465 SER C 1194 REMARK 465 CYS C 1195 REMARK 465 PHE C 1196 REMARK 465 ILE C 1197 REMARK 465 LEU C 1198 REMARK 465 LEU C 1199 REMARK 465 ALA C 1200 REMARK 465 ILE C 1201 REMARK 465 ALA C 1202 REMARK 465 MET C 1203 REMARK 465 GLY C 1204 REMARK 465 LEU C 1205 REMARK 465 VAL C 1206 REMARK 465 PHE C 1207 REMARK 465 ILE C 1208 REMARK 465 CYS C 1209 REMARK 465 VAL C 1210 REMARK 465 LYS C 1211 REMARK 465 ASN C 1212 REMARK 465 GLY C 1213 REMARK 465 ASN C 1214 REMARK 465 MET C 1215 REMARK 465 ARG C 1216 REMARK 465 CYS C 1217 REMARK 465 THR C 1218 REMARK 465 ILE C 1219 REMARK 465 CYS C 1220 REMARK 465 ILE C 1221 REMARK 465 VAL G 111 REMARK 465 SER G 112 REMARK 465 SER G 113 REMARK 465 ALA G 114 REMARK 465 SER G 115 REMARK 465 THR G 116 REMARK 465 LYS G 117 REMARK 465 GLY G 118 REMARK 465 PRO G 119 REMARK 465 SER G 120 REMARK 465 VAL G 121 REMARK 465 PHE G 122 REMARK 465 PRO G 123 REMARK 465 LEU G 124 REMARK 465 ALA G 125 REMARK 465 PRO G 126 REMARK 465 SER G 127 REMARK 465 SER G 128 REMARK 465 LYS G 129 REMARK 465 SER G 130 REMARK 465 THR G 131 REMARK 465 SER G 132 REMARK 465 GLY G 133 REMARK 465 GLY G 134 REMARK 465 THR G 135 REMARK 465 ALA G 136 REMARK 465 ALA G 137 REMARK 465 LEU G 138 REMARK 465 GLY G 139 REMARK 465 CYS G 140 REMARK 465 LEU G 141 REMARK 465 VAL G 142 REMARK 465 LYS G 143 REMARK 465 ASP G 144 REMARK 465 TYR G 145 REMARK 465 PHE G 146 REMARK 465 PRO G 147 REMARK 465 GLU G 148 REMARK 465 PRO G 149 REMARK 465 VAL G 150 REMARK 465 THR G 151 REMARK 465 VAL G 152 REMARK 465 SER G 153 REMARK 465 TRP G 154 REMARK 465 ASN G 155 REMARK 465 SER G 156 REMARK 465 GLY G 157 REMARK 465 ALA G 158 REMARK 465 LEU G 159 REMARK 465 THR G 160 REMARK 465 SER G 161 REMARK 465 GLY G 162 REMARK 465 VAL G 163 REMARK 465 HIS G 164 REMARK 465 THR G 165 REMARK 465 PHE G 166 REMARK 465 PRO G 167 REMARK 465 ALA G 168 REMARK 465 VAL G 169 REMARK 465 LEU G 170 REMARK 465 GLN G 171 REMARK 465 SER G 172 REMARK 465 SER G 173 REMARK 465 GLY G 174 REMARK 465 LEU G 175 REMARK 465 TYR G 176 REMARK 465 SER G 177 REMARK 465 LEU G 178 REMARK 465 SER G 179 REMARK 465 SER G 180 REMARK 465 VAL G 181 REMARK 465 VAL G 182 REMARK 465 THR G 183 REMARK 465 VAL G 184 REMARK 465 PRO G 185 REMARK 465 SER G 186 REMARK 465 SER G 187 REMARK 465 SER G 188 REMARK 465 LEU G 189 REMARK 465 GLY G 190 REMARK 465 THR G 191 REMARK 465 GLN G 192 REMARK 465 THR G 193 REMARK 465 TYR G 194 REMARK 465 ILE G 195 REMARK 465 CYS G 196 REMARK 465 ASN G 197 REMARK 465 VAL G 198 REMARK 465 ASN G 199 REMARK 465 HIS G 200 REMARK 465 LYS G 201 REMARK 465 PRO G 202 REMARK 465 SER G 203 REMARK 465 ASN G 204 REMARK 465 THR G 205 REMARK 465 LYS G 206 REMARK 465 VAL G 207 REMARK 465 ASP G 208 REMARK 465 LYS G 209 REMARK 465 LYS G 210 REMARK 465 VAL G 211 REMARK 465 GLU G 212 REMARK 465 PRO G 213 REMARK 465 LYS G 214 REMARK 465 SER G 215 REMARK 465 CYS G 216 REMARK 465 ASP G 217 REMARK 465 LYS G 218 REMARK 465 THR G 219 REMARK 465 HIS G 220 REMARK 465 ILE I 106 REMARK 465 LYS I 107 REMARK 465 ARG I 108 REMARK 465 THR I 109 REMARK 465 VAL I 110 REMARK 465 ALA I 111 REMARK 465 ALA I 112 REMARK 465 PRO I 113 REMARK 465 SER I 114 REMARK 465 VAL I 115 REMARK 465 PHE I 116 REMARK 465 ILE I 117 REMARK 465 PHE I 118 REMARK 465 PRO I 119 REMARK 465 PRO I 120 REMARK 465 SER I 121 REMARK 465 ASP I 122 REMARK 465 GLU I 123 REMARK 465 GLN I 124 REMARK 465 LEU I 125 REMARK 465 LYS I 126 REMARK 465 SER I 127 REMARK 465 GLY I 128 REMARK 465 THR I 129 REMARK 465 ALA I 130 REMARK 465 SER I 131 REMARK 465 VAL I 132 REMARK 465 VAL I 133 REMARK 465 CYS I 134 REMARK 465 LEU I 135 REMARK 465 LEU I 136 REMARK 465 ASN I 137 REMARK 465 ASN I 138 REMARK 465 PHE I 139 REMARK 465 TYR I 140 REMARK 465 PRO I 141 REMARK 465 ARG I 142 REMARK 465 GLU I 143 REMARK 465 ALA I 144 REMARK 465 LYS I 145 REMARK 465 VAL I 146 REMARK 465 GLN I 147 REMARK 465 TRP I 148 REMARK 465 LYS I 149 REMARK 465 VAL I 150 REMARK 465 ASP I 151 REMARK 465 ASN I 152 REMARK 465 ALA I 153 REMARK 465 LEU I 154 REMARK 465 GLN I 155 REMARK 465 SER I 156 REMARK 465 GLY I 157 REMARK 465 ASN I 158 REMARK 465 SER I 159 REMARK 465 GLN I 160 REMARK 465 GLU I 161 REMARK 465 SER I 162 REMARK 465 VAL I 163 REMARK 465 THR I 164 REMARK 465 GLU I 165 REMARK 465 GLN I 166 REMARK 465 ASP I 167 REMARK 465 SER I 168 REMARK 465 LYS I 169 REMARK 465 ASP I 170 REMARK 465 SER I 171 REMARK 465 THR I 172 REMARK 465 TYR I 173 REMARK 465 SER I 174 REMARK 465 LEU I 175 REMARK 465 SER I 176 REMARK 465 SER I 177 REMARK 465 THR I 178 REMARK 465 LEU I 179 REMARK 465 THR I 180 REMARK 465 LEU I 181 REMARK 465 SER I 182 REMARK 465 LYS I 183 REMARK 465 ALA I 184 REMARK 465 ASP I 185 REMARK 465 TYR I 186 REMARK 465 GLU I 187 REMARK 465 LYS I 188 REMARK 465 HIS I 189 REMARK 465 LYS I 190 REMARK 465 VAL I 191 REMARK 465 TYR I 192 REMARK 465 ALA I 193 REMARK 465 CYS I 194 REMARK 465 GLU I 195 REMARK 465 VAL I 196 REMARK 465 THR I 197 REMARK 465 HIS I 198 REMARK 465 GLN I 199 REMARK 465 GLY I 200 REMARK 465 LEU I 201 REMARK 465 SER I 202 REMARK 465 SER I 203 REMARK 465 PRO I 204 REMARK 465 VAL I 205 REMARK 465 THR I 206 REMARK 465 LYS I 207 REMARK 465 SER I 208 REMARK 465 PHE I 209 REMARK 465 ASN I 210 REMARK 465 ARG I 211 REMARK 465 GLY I 212 REMARK 465 GLU I 213 REMARK 465 CYS I 214 REMARK 465 MET E -7 REMARK 465 ASN E -6 REMARK 465 THR E -5 REMARK 465 GLN E -4 REMARK 465 ILE E -3 REMARK 465 LEU E -2 REMARK 465 VAL E -1 REMARK 465 PHE E 0 REMARK 465 ALA E 1 REMARK 465 LEU E 2 REMARK 465 ILE E 3 REMARK 465 ALA E 4 REMARK 465 ILE E 5 REMARK 465 ILE E 6 REMARK 465 PRO E 7 REMARK 465 THR E 8 REMARK 465 ASN E 9 REMARK 465 ALA E 10 REMARK 465 PRO E 328 REMARK 465 LYS E 329 REMARK 465 GLY E 330 REMARK 465 ARG E 331 REMARK 465 GLY E 1001 REMARK 465 LEU E 1002 REMARK 465 PHE E 1003 REMARK 465 GLY E 1004 REMARK 465 ILE E 1173 REMARK 465 ASP E 1174 REMARK 465 PRO E 1175 REMARK 465 VAL E 1176 REMARK 465 LYS E 1177 REMARK 465 LEU E 1178 REMARK 465 SER E 1179 REMARK 465 SER E 1180 REMARK 465 GLY E 1181 REMARK 465 TYR E 1182 REMARK 465 LYS E 1183 REMARK 465 ASP E 1184 REMARK 465 VAL E 1185 REMARK 465 ILE E 1186 REMARK 465 LEU E 1187 REMARK 465 TRP E 1188 REMARK 465 PHE E 1189 REMARK 465 SER E 1190 REMARK 465 PHE E 1191 REMARK 465 GLY E 1192 REMARK 465 ALA E 1193 REMARK 465 SER E 1194 REMARK 465 CYS E 1195 REMARK 465 PHE E 1196 REMARK 465 ILE E 1197 REMARK 465 LEU E 1198 REMARK 465 LEU E 1199 REMARK 465 ALA E 1200 REMARK 465 ILE E 1201 REMARK 465 ALA E 1202 REMARK 465 MET E 1203 REMARK 465 GLY E 1204 REMARK 465 LEU E 1205 REMARK 465 VAL E 1206 REMARK 465 PHE E 1207 REMARK 465 ILE E 1208 REMARK 465 CYS E 1209 REMARK 465 VAL E 1210 REMARK 465 LYS E 1211 REMARK 465 ASN E 1212 REMARK 465 GLY E 1213 REMARK 465 ASN E 1214 REMARK 465 MET E 1215 REMARK 465 ARG E 1216 REMARK 465 CYS E 1217 REMARK 465 THR E 1218 REMARK 465 ILE E 1219 REMARK 465 CYS E 1220 REMARK 465 ILE E 1221 REMARK 465 VAL J 111 REMARK 465 SER J 112 REMARK 465 SER J 113 REMARK 465 ALA J 114 REMARK 465 SER J 115 REMARK 465 THR J 116 REMARK 465 LYS J 117 REMARK 465 GLY J 118 REMARK 465 PRO J 119 REMARK 465 SER J 120 REMARK 465 VAL J 121 REMARK 465 PHE J 122 REMARK 465 PRO J 123 REMARK 465 LEU J 124 REMARK 465 ALA J 125 REMARK 465 PRO J 126 REMARK 465 SER J 127 REMARK 465 SER J 128 REMARK 465 LYS J 129 REMARK 465 SER J 130 REMARK 465 THR J 131 REMARK 465 SER J 132 REMARK 465 GLY J 133 REMARK 465 GLY J 134 REMARK 465 THR J 135 REMARK 465 ALA J 136 REMARK 465 ALA J 137 REMARK 465 LEU J 138 REMARK 465 GLY J 139 REMARK 465 CYS J 140 REMARK 465 LEU J 141 REMARK 465 VAL J 142 REMARK 465 LYS J 143 REMARK 465 ASP J 144 REMARK 465 TYR J 145 REMARK 465 PHE J 146 REMARK 465 PRO J 147 REMARK 465 GLU J 148 REMARK 465 PRO J 149 REMARK 465 VAL J 150 REMARK 465 THR J 151 REMARK 465 VAL J 152 REMARK 465 SER J 153 REMARK 465 TRP J 154 REMARK 465 ASN J 155 REMARK 465 SER J 156 REMARK 465 GLY J 157 REMARK 465 ALA J 158 REMARK 465 LEU J 159 REMARK 465 THR J 160 REMARK 465 SER J 161 REMARK 465 GLY J 162 REMARK 465 VAL J 163 REMARK 465 HIS J 164 REMARK 465 THR J 165 REMARK 465 PHE J 166 REMARK 465 PRO J 167 REMARK 465 ALA J 168 REMARK 465 VAL J 169 REMARK 465 LEU J 170 REMARK 465 GLN J 171 REMARK 465 SER J 172 REMARK 465 SER J 173 REMARK 465 GLY J 174 REMARK 465 LEU J 175 REMARK 465 TYR J 176 REMARK 465 SER J 177 REMARK 465 LEU J 178 REMARK 465 SER J 179 REMARK 465 SER J 180 REMARK 465 VAL J 181 REMARK 465 VAL J 182 REMARK 465 THR J 183 REMARK 465 VAL J 184 REMARK 465 PRO J 185 REMARK 465 SER J 186 REMARK 465 SER J 187 REMARK 465 SER J 188 REMARK 465 LEU J 189 REMARK 465 GLY J 190 REMARK 465 THR J 191 REMARK 465 GLN J 192 REMARK 465 THR J 193 REMARK 465 TYR J 194 REMARK 465 ILE J 195 REMARK 465 CYS J 196 REMARK 465 ASN J 197 REMARK 465 VAL J 198 REMARK 465 ASN J 199 REMARK 465 HIS J 200 REMARK 465 LYS J 201 REMARK 465 PRO J 202 REMARK 465 SER J 203 REMARK 465 ASN J 204 REMARK 465 THR J 205 REMARK 465 LYS J 206 REMARK 465 VAL J 207 REMARK 465 ASP J 208 REMARK 465 LYS J 209 REMARK 465 LYS J 210 REMARK 465 VAL J 211 REMARK 465 GLU J 212 REMARK 465 PRO J 213 REMARK 465 LYS J 214 REMARK 465 SER J 215 REMARK 465 CYS J 216 REMARK 465 ASP J 217 REMARK 465 LYS J 218 REMARK 465 THR J 219 REMARK 465 HIS J 220 REMARK 465 ILE K 106 REMARK 465 LYS K 107 REMARK 465 ARG K 108 REMARK 465 THR K 109 REMARK 465 VAL K 110 REMARK 465 ALA K 111 REMARK 465 ALA K 112 REMARK 465 PRO K 113 REMARK 465 SER K 114 REMARK 465 VAL K 115 REMARK 465 PHE K 116 REMARK 465 ILE K 117 REMARK 465 PHE K 118 REMARK 465 PRO K 119 REMARK 465 PRO K 120 REMARK 465 SER K 121 REMARK 465 ASP K 122 REMARK 465 GLU K 123 REMARK 465 GLN K 124 REMARK 465 LEU K 125 REMARK 465 LYS K 126 REMARK 465 SER K 127 REMARK 465 GLY K 128 REMARK 465 THR K 129 REMARK 465 ALA K 130 REMARK 465 SER K 131 REMARK 465 VAL K 132 REMARK 465 VAL K 133 REMARK 465 CYS K 134 REMARK 465 LEU K 135 REMARK 465 LEU K 136 REMARK 465 ASN K 137 REMARK 465 ASN K 138 REMARK 465 PHE K 139 REMARK 465 TYR K 140 REMARK 465 PRO K 141 REMARK 465 ARG K 142 REMARK 465 GLU K 143 REMARK 465 ALA K 144 REMARK 465 LYS K 145 REMARK 465 VAL K 146 REMARK 465 GLN K 147 REMARK 465 TRP K 148 REMARK 465 LYS K 149 REMARK 465 VAL K 150 REMARK 465 ASP K 151 REMARK 465 ASN K 152 REMARK 465 ALA K 153 REMARK 465 LEU K 154 REMARK 465 GLN K 155 REMARK 465 SER K 156 REMARK 465 GLY K 157 REMARK 465 ASN K 158 REMARK 465 SER K 159 REMARK 465 GLN K 160 REMARK 465 GLU K 161 REMARK 465 SER K 162 REMARK 465 VAL K 163 REMARK 465 THR K 164 REMARK 465 GLU K 165 REMARK 465 GLN K 166 REMARK 465 ASP K 167 REMARK 465 SER K 168 REMARK 465 LYS K 169 REMARK 465 ASP K 170 REMARK 465 SER K 171 REMARK 465 THR K 172 REMARK 465 TYR K 173 REMARK 465 SER K 174 REMARK 465 LEU K 175 REMARK 465 SER K 176 REMARK 465 SER K 177 REMARK 465 THR K 178 REMARK 465 LEU K 179 REMARK 465 THR K 180 REMARK 465 LEU K 181 REMARK 465 SER K 182 REMARK 465 LYS K 183 REMARK 465 ALA K 184 REMARK 465 ASP K 185 REMARK 465 TYR K 186 REMARK 465 GLU K 187 REMARK 465 LYS K 188 REMARK 465 HIS K 189 REMARK 465 LYS K 190 REMARK 465 VAL K 191 REMARK 465 TYR K 192 REMARK 465 ALA K 193 REMARK 465 CYS K 194 REMARK 465 GLU K 195 REMARK 465 VAL K 196 REMARK 465 THR K 197 REMARK 465 HIS K 198 REMARK 465 GLN K 199 REMARK 465 GLY K 200 REMARK 465 LEU K 201 REMARK 465 SER K 202 REMARK 465 SER K 203 REMARK 465 PRO K 204 REMARK 465 VAL K 205 REMARK 465 THR K 206 REMARK 465 LYS K 207 REMARK 465 SER K 208 REMARK 465 PHE K 209 REMARK 465 ASN K 210 REMARK 465 ARG K 211 REMARK 465 GLY K 212 REMARK 465 GLU K 213 REMARK 465 CYS K 214 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (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,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TYR H 99 CB - CA - C ANGL. DEV. = -14.6 DEGREES REMARK 500 CYS C 139 CB - CA - C ANGL. DEV. = 11.9 DEGREES REMARK 500 CYS C 139 N - CA - CB ANGL. DEV. = -11.0 DEGREES REMARK 500 SER C 144 CA - CB - OG ANGL. DEV. = 23.2 DEGREES 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 GLU A 114 30.96 -95.34 REMARK 500 SER A 142 14.18 81.87 REMARK 500 SER A 265 -168.57 -177.24 REMARK 500 ASN A1012 -172.51 -175.11 REMARK 500 GLU A1074 153.79 -45.37 REMARK 500 ASP A1133 65.50 -100.18 REMARK 500 ASN A1155 56.35 -96.03 REMARK 500 LYS H 43 -162.69 -123.37 REMARK 500 ILE H 48 -64.40 -104.83 REMARK 500 LEU H 63 68.04 -153.30 REMARK 500 ALA H 100I -2.83 88.34 REMARK 500 SER L 52 -2.44 -140.56 REMARK 500 HIS L 91 25.70 -140.41 REMARK 500 PRO C 49 -6.98 -54.75 REMARK 500 GLN C 63 -0.94 67.91 REMARK 500 GLU C 114 30.96 -95.43 REMARK 500 ASN C 133 -72.17 -82.30 REMARK 500 SER C 142 -126.96 58.94 REMARK 500 ASN C1012 -175.27 -175.12 REMARK 500 ARG C1127 -78.96 -67.42 REMARK 500 ASP C1133 65.55 -100.23 REMARK 500 ASN C1155 56.29 -96.00 REMARK 500 LYS G 43 -162.72 -121.41 REMARK 500 ILE G 48 -64.38 -104.85 REMARK 500 LEU I 33 101.89 -160.08 REMARK 500 SER I 52 -4.32 -140.51 REMARK 500 HIS I 91 24.44 -140.39 REMARK 500 GLU E 114 30.93 -95.34 REMARK 500 SER E 265 -168.55 -177.21 REMARK 500 ARG E1127 -75.52 -70.17 REMARK 500 ASP E1133 65.52 -100.24 REMARK 500 ASN E1155 56.33 -96.07 REMARK 500 LYS J 43 -164.43 -120.32 REMARK 500 ILE J 48 -64.41 -104.83 REMARK 500 LEU J 63 70.72 -159.10 REMARK 500 SER K 50 -5.33 82.46 REMARK 500 ALA K 51 -2.69 80.59 REMARK 500 SER K 52 21.14 -140.61 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 8VEB RELATED DB: PDB REMARK 900 1E08 WITH GROUP 1 INFLUENZA TRIMER REMARK 900 RELATED ID: 8VEF RELATED DB: PDB REMARK 900 1E08 UCA WITH GROUP 1 INFLUENZA TRIMER REMARK 900 RELATED ID: 8VED RELATED DB: PDB REMARK 900 1E11 WITH GROUP 1 INFLUENZA TRIMER REMARK 900 RELATED ID: 8T1G RELATED DB: PDB REMARK 900 1E11 WITH GROUP 2 INFLUENZA TRIMER REMARK 900 RELATED ID: EMD-43171 RELATED DB: EMDB REMARK 900 CRYO-EM STRUCTURE OF ANTIBODY T5-1E08 IN COMPLEX WITH H7N9 REMARK 900 INFLUENZA HEMAGGLUTININ TRIMER (A/SHANGHAI/2/13) DBREF 8VEE A -7 1221 PDB 8VEE 8VEE -7 1221 DBREF 8VEE H 1 220 PDB 8VEE 8VEE 1 220 DBREF 8VEE L 1 214 PDB 8VEE 8VEE 1 214 DBREF 8VEE C -7 1221 PDB 8VEE 8VEE -7 1221 DBREF 8VEE G 1 220 PDB 8VEE 8VEE 1 220 DBREF 8VEE I 1 214 PDB 8VEE 8VEE 1 214 DBREF 8VEE E -7 1221 PDB 8VEE 8VEE -7 1221 DBREF 8VEE J 1 220 PDB 8VEE 8VEE 1 220 DBREF 8VEE K 1 214 PDB 8VEE 8VEE 1 214 SEQRES 1 A 560 MET ASN THR GLN ILE LEU VAL PHE ALA LEU ILE ALA ILE SEQRES 2 A 560 ILE PRO THR ASN ALA ASP LYS ILE CYS LEU GLY HIS HIS SEQRES 3 A 560 ALA VAL SER ASN GLY THR LYS VAL ASN THR LEU THR GLU SEQRES 4 A 560 ARG GLY VAL GLU VAL VAL ASN ALA THR GLU THR VAL GLU SEQRES 5 A 560 ARG THR ASN ILE PRO ARG ILE CYS SER LYS GLY LYS ARG SEQRES 6 A 560 THR VAL ASP LEU GLY GLN CYS GLY LEU LEU GLY THR ILE SEQRES 7 A 560 THR GLY PRO PRO GLN CYS ASP GLN PHE LEU GLU PHE SER SEQRES 8 A 560 ALA ASP LEU ILE ILE GLU ARG ARG GLU GLY SER ASP VAL SEQRES 9 A 560 CYS TYR PRO GLY LYS PHE VAL ASN GLU GLU ALA LEU ARG SEQRES 10 A 560 GLN ILE LEU ARG GLU SER GLY GLY ILE ASP LYS GLU ALA SEQRES 11 A 560 MET GLY PHE THR TYR SER GLY ILE ARG THR ASN GLY ALA SEQRES 12 A 560 THR SER SER CYS ARG ARG SER GLY SER SER PHE TYR ALA SEQRES 13 A 560 GLU MET LYS TRP LEU LEU SER ASN THR ASP ASN ALA ALA SEQRES 14 A 560 PHE PRO GLN MET THR LYS SER TYR LYS ASN THR ARG LYS SEQRES 15 A 560 ASN PRO ALA LEU ILE VAL TRP GLY ILE HIS HIS SER GLY SEQRES 16 A 560 SER THR ALA GLU GLN THR LYS LEU TYR GLY SER GLY ASN SEQRES 17 A 560 LYS LEU VAL THR VAL GLY SER SER ASN TYR GLN GLN SER SEQRES 18 A 560 PHE VAL PRO SER PRO GLY ALA ARG THR GLN VAL ASN GLY SEQRES 19 A 560 GLN SER GLY ARG ILE ASP PHE HIS TRP LEU MET LEU ASN SEQRES 20 A 560 PRO ASN ASP THR VAL THR PHE SER PHE ASN GLY ALA PHE SEQRES 21 A 560 ILE ALA PRO ASP ARG ALA SER PHE LEU ARG GLY LYS SER SEQRES 22 A 560 MET GLY ILE GLN SER GLY VAL GLN VAL ASP ALA ASP CYS SEQRES 23 A 560 GLU GLY ASP CYS TYR TYR SER GLY GLY THR ILE ILE SER SEQRES 24 A 560 ASN LEU PRO PHE GLN ASN ILE ASP SER ARG ALA VAL GLY SEQRES 25 A 560 LYS CYS PRO ARG TYR VAL LYS GLN ARG SER LEU LEU LEU SEQRES 26 A 560 ALA THR GLY MET LYS ASN VAL PRO GLU ILE PRO LYS GLY SEQRES 27 A 560 ARG GLY LEU PHE GLY ALA ILE ALA GLY PHE ILE GLU ASN SEQRES 28 A 560 GLY TRP GLU GLY LEU ILE ASP GLY TRP TYR GLY PHE ARG SEQRES 29 A 560 HIS GLN ASN ALA GLN GLY GLU GLY THR ALA ALA ASP TYR SEQRES 30 A 560 LYS SER THR GLN SER ALA ILE ASP GLN ILE THR GLY LYS SEQRES 31 A 560 LEU ASN ARG LEU ILE GLU LYS THR ASN GLN GLN PHE GLU SEQRES 32 A 560 LEU ILE ASP ASN GLU PHE THR GLU VAL GLU LYS GLN ILE SEQRES 33 A 560 GLY ASN VAL ILE ASN TRP THR ARG ASP SER ILE THR GLU SEQRES 34 A 560 VAL TRP SER TYR ASN ALA GLU LEU LEU VAL ALA MET GLU SEQRES 35 A 560 ASN GLN HIS THR ILE ASP LEU ALA ASP SER GLU MET ASP SEQRES 36 A 560 LYS LEU TYR GLU ARG VAL LYS ARG GLN LEU ARG GLU ASN SEQRES 37 A 560 ALA GLU GLU ASP GLY THR GLY CYS PHE GLU ILE PHE HIS SEQRES 38 A 560 LYS CYS ASP ASP ASP CYS MET ALA SER ILE ARG ASN ASN SEQRES 39 A 560 THR TYR ASP HIS SER LYS TYR ARG GLU GLU ALA MET GLN SEQRES 40 A 560 ASN ARG ILE GLN ILE ASP PRO VAL LYS LEU SER SER GLY SEQRES 41 A 560 TYR LYS ASP VAL ILE LEU TRP PHE SER PHE GLY ALA SER SEQRES 42 A 560 CYS PHE ILE LEU LEU ALA ILE ALA MET GLY LEU VAL PHE SEQRES 43 A 560 ILE CYS VAL LYS ASN GLY ASN MET ARG CYS THR ILE CYS SEQRES 44 A 560 ILE SEQRES 1 H 238 GLN VAL GLN LEU LEU GLU SER GLY PRO GLY LEU VAL LYS SEQRES 2 H 238 PRO SER GLN THR LEU SER LEU THR CYS THR VAL SER GLY SEQRES 3 H 238 GLY SER VAL SER ARG GLY GLY TYR TYR TRP THR TRP ILE SEQRES 4 H 238 ARG GLN HIS PRO GLY LYS GLY LEU GLU TRP ILE ALA TYR SEQRES 5 H 238 VAL THR TYR SER GLY ASP THR SER TYR ASN PRO SER LEU SEQRES 6 H 238 ARG GLY ARG VAL THR ILE SER LEU GLU THR SER MET ASN SEQRES 7 H 238 GLN PHE SER LEU LYS VAL THR SER VAL THR VAL ALA ASP SEQRES 8 H 238 THR ALA LEU TYR PHE CYS ALA ARG VAL PRO PHE TYR TYR SEQRES 9 H 238 ASP THR ARG GLY VAL PHE TYR GLY ASN ALA GLU GLY GLY SEQRES 10 H 238 PHE GLU ILE TRP GLY GLN GLY THR MET ALA THR VAL SER SEQRES 11 H 238 SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA SEQRES 12 H 238 PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU SEQRES 13 H 238 GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR SEQRES 14 H 238 VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS SEQRES 15 H 238 THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER SEQRES 16 H 238 LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY SEQRES 17 H 238 THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER SEQRES 18 H 238 ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER CYS SEQRES 19 H 238 ASP LYS THR HIS SEQRES 1 L 214 ASP ILE GLN MET THR GLN SER PRO SER SER LEU SER ALA SEQRES 2 L 214 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 L 214 GLN GLY ILE THR ASN ASP LEU ARG TRP TYR GLN GLN LYS SEQRES 4 L 214 PRO GLY LYS ALA PRO GLN CYS LEU ILE SER SER ALA SER SEQRES 5 L 214 ARG LEU GLN SER GLY VAL SER SER ARG PHE SER GLY SER SEQRES 6 L 214 GLY SER GLY THR GLU PHE THR LEU THR ILE SER SER LEU SEQRES 7 L 214 GLN PRO GLU ASP PHE ALA THR TYR TYR CYS LEU GLN HIS SEQRES 8 L 214 ASN SER TYR GLN TRP THR PHE GLY GLN GLY THR LYS VAL SEQRES 9 L 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE SEQRES 10 L 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SEQRES 11 L 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU SEQRES 12 L 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER SEQRES 13 L 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS SEQRES 14 L 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER SEQRES 15 L 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU SEQRES 16 L 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER SEQRES 17 L 214 PHE ASN ARG GLY GLU CYS SEQRES 1 C 560 MET ASN THR GLN ILE LEU VAL PHE ALA LEU ILE ALA ILE SEQRES 2 C 560 ILE PRO THR ASN ALA ASP LYS ILE CYS LEU GLY HIS HIS SEQRES 3 C 560 ALA VAL SER ASN GLY THR LYS VAL ASN THR LEU THR GLU SEQRES 4 C 560 ARG GLY VAL GLU VAL VAL ASN ALA THR GLU THR VAL GLU SEQRES 5 C 560 ARG THR ASN ILE PRO ARG ILE CYS SER LYS GLY LYS ARG SEQRES 6 C 560 THR VAL ASP LEU GLY GLN CYS GLY LEU LEU GLY THR ILE SEQRES 7 C 560 THR GLY PRO PRO GLN CYS ASP GLN PHE LEU GLU PHE SER SEQRES 8 C 560 ALA ASP LEU ILE ILE GLU ARG ARG GLU GLY SER ASP VAL SEQRES 9 C 560 CYS TYR PRO GLY LYS PHE VAL ASN GLU GLU ALA LEU ARG SEQRES 10 C 560 GLN ILE LEU ARG GLU SER GLY GLY ILE ASP LYS GLU ALA SEQRES 11 C 560 MET GLY PHE THR TYR SER GLY ILE ARG THR ASN GLY ALA SEQRES 12 C 560 THR SER SER CYS ARG ARG SER GLY SER SER PHE TYR ALA SEQRES 13 C 560 GLU MET LYS TRP LEU LEU SER ASN THR ASP ASN ALA ALA SEQRES 14 C 560 PHE PRO GLN MET THR LYS SER TYR LYS ASN THR ARG LYS SEQRES 15 C 560 ASN PRO ALA LEU ILE VAL TRP GLY ILE HIS HIS SER GLY SEQRES 16 C 560 SER THR ALA GLU GLN THR LYS LEU TYR GLY SER GLY ASN SEQRES 17 C 560 LYS LEU VAL THR VAL GLY SER SER ASN TYR GLN GLN SER SEQRES 18 C 560 PHE VAL PRO SER PRO GLY ALA ARG THR GLN VAL ASN GLY SEQRES 19 C 560 GLN SER GLY ARG ILE ASP PHE HIS TRP LEU MET LEU ASN SEQRES 20 C 560 PRO ASN ASP THR VAL THR PHE SER PHE ASN GLY ALA PHE SEQRES 21 C 560 ILE ALA PRO ASP ARG ALA SER PHE LEU ARG GLY LYS SER SEQRES 22 C 560 MET GLY ILE GLN SER GLY VAL GLN VAL ASP ALA ASP CYS SEQRES 23 C 560 GLU GLY ASP CYS TYR TYR SER GLY GLY THR ILE ILE SER SEQRES 24 C 560 ASN LEU PRO PHE GLN ASN ILE ASP SER ARG ALA VAL GLY SEQRES 25 C 560 LYS CYS PRO ARG TYR VAL LYS GLN ARG SER LEU LEU LEU SEQRES 26 C 560 ALA THR GLY MET LYS ASN VAL PRO GLU ILE PRO LYS GLY SEQRES 27 C 560 ARG GLY LEU PHE GLY ALA ILE ALA GLY PHE ILE GLU ASN SEQRES 28 C 560 GLY TRP GLU GLY LEU ILE ASP GLY TRP TYR GLY PHE ARG SEQRES 29 C 560 HIS GLN ASN ALA GLN GLY GLU GLY THR ALA ALA ASP TYR SEQRES 30 C 560 LYS SER THR GLN SER ALA ILE ASP GLN ILE THR GLY LYS SEQRES 31 C 560 LEU ASN ARG LEU ILE GLU LYS THR ASN GLN GLN PHE GLU SEQRES 32 C 560 LEU ILE ASP ASN GLU PHE THR GLU VAL GLU LYS GLN ILE SEQRES 33 C 560 GLY ASN VAL ILE ASN TRP THR ARG ASP SER ILE THR GLU SEQRES 34 C 560 VAL TRP SER TYR ASN ALA GLU LEU LEU VAL ALA MET GLU SEQRES 35 C 560 ASN GLN HIS THR ILE ASP LEU ALA ASP SER GLU MET ASP SEQRES 36 C 560 LYS LEU TYR GLU ARG VAL LYS ARG GLN LEU ARG GLU ASN SEQRES 37 C 560 ALA GLU GLU ASP GLY THR GLY CYS PHE GLU ILE PHE HIS SEQRES 38 C 560 LYS CYS ASP ASP ASP CYS MET ALA SER ILE ARG ASN ASN SEQRES 39 C 560 THR TYR ASP HIS SER LYS TYR ARG GLU GLU ALA MET GLN SEQRES 40 C 560 ASN ARG ILE GLN ILE ASP PRO VAL LYS LEU SER SER GLY SEQRES 41 C 560 TYR LYS ASP VAL ILE LEU TRP PHE SER PHE GLY ALA SER SEQRES 42 C 560 CYS PHE ILE LEU LEU ALA ILE ALA MET GLY LEU VAL PHE SEQRES 43 C 560 ILE CYS VAL LYS ASN GLY ASN MET ARG CYS THR ILE CYS SEQRES 44 C 560 ILE SEQRES 1 G 238 GLN VAL GLN LEU LEU GLU SER GLY PRO GLY LEU VAL LYS SEQRES 2 G 238 PRO SER GLN THR LEU SER LEU THR CYS THR VAL SER GLY SEQRES 3 G 238 GLY SER VAL SER ARG GLY GLY TYR TYR TRP THR TRP ILE SEQRES 4 G 238 ARG GLN HIS PRO GLY LYS GLY LEU GLU TRP ILE ALA TYR SEQRES 5 G 238 VAL THR TYR SER GLY ASP THR SER TYR ASN PRO SER LEU SEQRES 6 G 238 ARG GLY ARG VAL THR ILE SER LEU GLU THR SER MET ASN SEQRES 7 G 238 GLN PHE SER LEU LYS VAL THR SER VAL THR VAL ALA ASP SEQRES 8 G 238 THR ALA LEU TYR PHE CYS ALA ARG VAL PRO PHE TYR TYR SEQRES 9 G 238 ASP THR ARG GLY VAL PHE TYR GLY ASN ALA GLU GLY GLY SEQRES 10 G 238 PHE GLU ILE TRP GLY GLN GLY THR MET ALA THR VAL SER SEQRES 11 G 238 SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA SEQRES 12 G 238 PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU SEQRES 13 G 238 GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR SEQRES 14 G 238 VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS SEQRES 15 G 238 THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER SEQRES 16 G 238 LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY SEQRES 17 G 238 THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER SEQRES 18 G 238 ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER CYS SEQRES 19 G 238 ASP LYS THR HIS SEQRES 1 I 214 ASP ILE GLN MET THR GLN SER PRO SER SER LEU SER ALA SEQRES 2 I 214 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 I 214 GLN GLY ILE THR ASN ASP LEU ARG TRP TYR GLN GLN LYS SEQRES 4 I 214 PRO GLY LYS ALA PRO GLN CYS LEU ILE SER SER ALA SER SEQRES 5 I 214 ARG LEU GLN SER GLY VAL SER SER ARG PHE SER GLY SER SEQRES 6 I 214 GLY SER GLY THR GLU PHE THR LEU THR ILE SER SER LEU SEQRES 7 I 214 GLN PRO GLU ASP PHE ALA THR TYR TYR CYS LEU GLN HIS SEQRES 8 I 214 ASN SER TYR GLN TRP THR PHE GLY GLN GLY THR LYS VAL SEQRES 9 I 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE SEQRES 10 I 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SEQRES 11 I 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU SEQRES 12 I 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER SEQRES 13 I 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS SEQRES 14 I 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER SEQRES 15 I 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU SEQRES 16 I 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER SEQRES 17 I 214 PHE ASN ARG GLY GLU CYS SEQRES 1 E 560 MET ASN THR GLN ILE LEU VAL PHE ALA LEU ILE ALA ILE SEQRES 2 E 560 ILE PRO THR ASN ALA ASP LYS ILE CYS LEU GLY HIS HIS SEQRES 3 E 560 ALA VAL SER ASN GLY THR LYS VAL ASN THR LEU THR GLU SEQRES 4 E 560 ARG GLY VAL GLU VAL VAL ASN ALA THR GLU THR VAL GLU SEQRES 5 E 560 ARG THR ASN ILE PRO ARG ILE CYS SER LYS GLY LYS ARG SEQRES 6 E 560 THR VAL ASP LEU GLY GLN CYS GLY LEU LEU GLY THR ILE SEQRES 7 E 560 THR GLY PRO PRO GLN CYS ASP GLN PHE LEU GLU PHE SER SEQRES 8 E 560 ALA ASP LEU ILE ILE GLU ARG ARG GLU GLY SER ASP VAL SEQRES 9 E 560 CYS TYR PRO GLY LYS PHE VAL ASN GLU GLU ALA LEU ARG SEQRES 10 E 560 GLN ILE LEU ARG GLU SER GLY GLY ILE ASP LYS GLU ALA SEQRES 11 E 560 MET GLY PHE THR TYR SER GLY ILE ARG THR ASN GLY ALA SEQRES 12 E 560 THR SER SER CYS ARG ARG SER GLY SER SER PHE TYR ALA SEQRES 13 E 560 GLU MET LYS TRP LEU LEU SER ASN THR ASP ASN ALA ALA SEQRES 14 E 560 PHE PRO GLN MET THR LYS SER TYR LYS ASN THR ARG LYS SEQRES 15 E 560 ASN PRO ALA LEU ILE VAL TRP GLY ILE HIS HIS SER GLY SEQRES 16 E 560 SER THR ALA GLU GLN THR LYS LEU TYR GLY SER GLY ASN SEQRES 17 E 560 LYS LEU VAL THR VAL GLY SER SER ASN TYR GLN GLN SER SEQRES 18 E 560 PHE VAL PRO SER PRO GLY ALA ARG THR GLN VAL ASN GLY SEQRES 19 E 560 GLN SER GLY ARG ILE ASP PHE HIS TRP LEU MET LEU ASN SEQRES 20 E 560 PRO ASN ASP THR VAL THR PHE SER PHE ASN GLY ALA PHE SEQRES 21 E 560 ILE ALA PRO ASP ARG ALA SER PHE LEU ARG GLY LYS SER SEQRES 22 E 560 MET GLY ILE GLN SER GLY VAL GLN VAL ASP ALA ASP CYS SEQRES 23 E 560 GLU GLY ASP CYS TYR TYR SER GLY GLY THR ILE ILE SER SEQRES 24 E 560 ASN LEU PRO PHE GLN ASN ILE ASP SER ARG ALA VAL GLY SEQRES 25 E 560 LYS CYS PRO ARG TYR VAL LYS GLN ARG SER LEU LEU LEU SEQRES 26 E 560 ALA THR GLY MET LYS ASN VAL PRO GLU ILE PRO LYS GLY SEQRES 27 E 560 ARG GLY LEU PHE GLY ALA ILE ALA GLY PHE ILE GLU ASN SEQRES 28 E 560 GLY TRP GLU GLY LEU ILE ASP GLY TRP TYR GLY PHE ARG SEQRES 29 E 560 HIS GLN ASN ALA GLN GLY GLU GLY THR ALA ALA ASP TYR SEQRES 30 E 560 LYS SER THR GLN SER ALA ILE ASP GLN ILE THR GLY LYS SEQRES 31 E 560 LEU ASN ARG LEU ILE GLU LYS THR ASN GLN GLN PHE GLU SEQRES 32 E 560 LEU ILE ASP ASN GLU PHE THR GLU VAL GLU LYS GLN ILE SEQRES 33 E 560 GLY ASN VAL ILE ASN TRP THR ARG ASP SER ILE THR GLU SEQRES 34 E 560 VAL TRP SER TYR ASN ALA GLU LEU LEU VAL ALA MET GLU SEQRES 35 E 560 ASN GLN HIS THR ILE ASP LEU ALA ASP SER GLU MET ASP SEQRES 36 E 560 LYS LEU TYR GLU ARG VAL LYS ARG GLN LEU ARG GLU ASN SEQRES 37 E 560 ALA GLU GLU ASP GLY THR GLY CYS PHE GLU ILE PHE HIS SEQRES 38 E 560 LYS CYS ASP ASP ASP CYS MET ALA SER ILE ARG ASN ASN SEQRES 39 E 560 THR TYR ASP HIS SER LYS TYR ARG GLU GLU ALA MET GLN SEQRES 40 E 560 ASN ARG ILE GLN ILE ASP PRO VAL LYS LEU SER SER GLY SEQRES 41 E 560 TYR LYS ASP VAL ILE LEU TRP PHE SER PHE GLY ALA SER SEQRES 42 E 560 CYS PHE ILE LEU LEU ALA ILE ALA MET GLY LEU VAL PHE SEQRES 43 E 560 ILE CYS VAL LYS ASN GLY ASN MET ARG CYS THR ILE CYS SEQRES 44 E 560 ILE SEQRES 1 J 238 GLN VAL GLN LEU LEU GLU SER GLY PRO GLY LEU VAL LYS SEQRES 2 J 238 PRO SER GLN THR LEU SER LEU THR CYS THR VAL SER GLY SEQRES 3 J 238 GLY SER VAL SER ARG GLY GLY TYR TYR TRP THR TRP ILE SEQRES 4 J 238 ARG GLN HIS PRO GLY LYS GLY LEU GLU TRP ILE ALA TYR SEQRES 5 J 238 VAL THR TYR SER GLY ASP THR SER TYR ASN PRO SER LEU SEQRES 6 J 238 ARG GLY ARG VAL THR ILE SER LEU GLU THR SER MET ASN SEQRES 7 J 238 GLN PHE SER LEU LYS VAL THR SER VAL THR VAL ALA ASP SEQRES 8 J 238 THR ALA LEU TYR PHE CYS ALA ARG VAL PRO PHE TYR TYR SEQRES 9 J 238 ASP THR ARG GLY VAL PHE TYR GLY ASN ALA GLU GLY GLY SEQRES 10 J 238 PHE GLU ILE TRP GLY GLN GLY THR MET ALA THR VAL SER SEQRES 11 J 238 SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA SEQRES 12 J 238 PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU SEQRES 13 J 238 GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR SEQRES 14 J 238 VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS SEQRES 15 J 238 THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER SEQRES 16 J 238 LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY SEQRES 17 J 238 THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER SEQRES 18 J 238 ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER CYS SEQRES 19 J 238 ASP LYS THR HIS SEQRES 1 K 214 ASP ILE GLN MET THR GLN SER PRO SER SER LEU SER ALA SEQRES 2 K 214 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 K 214 GLN GLY ILE THR ASN ASP LEU ARG TRP TYR GLN GLN LYS SEQRES 4 K 214 PRO GLY LYS ALA PRO GLN CYS LEU ILE SER SER ALA SER SEQRES 5 K 214 ARG LEU GLN SER GLY VAL SER SER ARG PHE SER GLY SER SEQRES 6 K 214 GLY SER GLY THR GLU PHE THR LEU THR ILE SER SER LEU SEQRES 7 K 214 GLN PRO GLU ASP PHE ALA THR TYR TYR CYS LEU GLN HIS SEQRES 8 K 214 ASN SER TYR GLN TRP THR PHE GLY GLN GLY THR LYS VAL SEQRES 9 K 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE SEQRES 10 K 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SEQRES 11 K 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU SEQRES 12 K 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER SEQRES 13 K 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS SEQRES 14 K 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER SEQRES 15 K 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU SEQRES 16 K 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER SEQRES 17 K 214 PHE ASN ARG GLY GLU CYS HET NAG M 1 14 HET NAG M 2 14 HET NAG N 1 14 HET NAG N 2 14 HET NAG O 1 14 HET NAG O 2 14 HET NAG P 1 14 HET NAG P 2 14 HET NAG Q 1 14 HET NAG Q 2 14 HET NAG R 1 14 HET NAG R 2 14 HET NAG S 1 14 HET NAG S 2 14 HET NAG T 1 14 HET NAG T 2 14 HET NAG U 1 14 HET NAG U 2 14 HET NAG A2001 14 HET NAG C2001 14 HET NAG E2001 14 HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE HETSYN NAG N-ACETYL-BETA-D-GLUCOSAMINE; 2-ACETAMIDO-2-DEOXY-BETA- HETSYN 2 NAG D-GLUCOSE; 2-ACETAMIDO-2-DEOXY-D-GLUCOSE; 2-ACETAMIDO- HETSYN 3 NAG 2-DEOXY-GLUCOSE; N-ACETYL-D-GLUCOSAMINE FORMUL 10 NAG 21(C8 H15 N O6) HELIX 1 AA1 LEU A 67 GLY A 72 1 6 HELIX 2 AA2 PRO A 73 ASP A 77 5 5 HELIX 3 AA3 ASN A 104 GLU A 114 1 11 HELIX 4 AA4 SER A 188 TYR A 196 1 9 HELIX 5 AA5 ASP A 1037 ILE A 1056 1 20 HELIX 6 AA6 GLU A 1074 LEU A 1126 1 53 HELIX 7 AA7 ASP A 1145 ASN A 1154 1 10 HELIX 8 AA8 TYR A 1162 GLN A 1172 1 11 HELIX 9 AA9 GLN L 79 PHE L 83 5 5 HELIX 10 AB1 LEU C 67 GLY C 72 1 6 HELIX 11 AB2 PRO C 73 ASP C 77 5 5 HELIX 12 AB3 ASN C 104 GLU C 114 1 11 HELIX 13 AB4 SER C 188 TYR C 196 1 9 HELIX 14 AB5 ASP C 1037 GLU C 1057 1 21 HELIX 15 AB6 GLU C 1074 LEU C 1126 1 53 HELIX 16 AB7 ASP C 1145 ASN C 1154 1 10 HELIX 17 AB8 TYR C 1162 GLN C 1172 1 11 HELIX 18 AB9 PRO G 61 ARG G 64 5 4 HELIX 19 AC1 GLN I 79 PHE I 83 5 5 HELIX 20 AC2 LEU E 67 GLY E 72 1 6 HELIX 21 AC3 PRO E 73 ASP E 77 5 5 HELIX 22 AC4 ASN E 104 GLU E 114 1 11 HELIX 23 AC5 SER E 188 TYR E 196 1 9 HELIX 24 AC6 ASP E 1037 GLU E 1057 1 21 HELIX 25 AC7 GLU E 1074 LEU E 1126 1 53 HELIX 26 AC8 ASP E 1145 ASN E 1154 1 10 HELIX 27 AC9 TYR E 1162 GLN E 1172 1 11 HELIX 28 AD1 GLN K 79 PHE K 83 5 5 SHEET 1 AA1 5 GLU A1032 ALA A1036 0 SHEET 2 AA1 5 TYR A1022 GLN A1027 -1 N HIS A1026 O GLY A1033 SHEET 3 AA1 5 LYS A 12 HIS A 17 -1 N CYS A 14 O ARG A1025 SHEET 4 AA1 5 CYS A1137 ILE A1140 -1 O PHE A1138 N ILE A 13 SHEET 5 AA1 5 ALA A1130 ASP A1133 -1 N ASP A1133 O CYS A1137 SHEET 1 AA2 2 THR A 24 ASN A 27 0 SHEET 2 AA2 2 ARG A 32 VAL A 36 -1 O VAL A 34 N VAL A 26 SHEET 1 AA3 2 ALA A 39 GLU A 41 0 SHEET 2 AA3 2 LEU A 316 ALA A 318 -1 O LEU A 317 N THR A 40 SHEET 1 AA4 2 ILE A 51 CYS A 52 0 SHEET 2 AA4 2 VAL A 274 ASP A 275 1 O ASP A 275 N ILE A 51 SHEET 1 AA5 3 THR A 58 LEU A 61 0 SHEET 2 AA5 3 LEU A 86 GLU A 89 1 O ILE A 88 N VAL A 59 SHEET 3 AA5 3 MET A 266 GLN A 269 1 O ILE A 268 N ILE A 87 SHEET 1 AA6 5 GLY A 100 PHE A 102 0 SHEET 2 AA6 5 ARG A 230 LEU A 238 1 O PHE A 233 N LYS A 101 SHEET 3 AA6 5 ALA A 177 HIS A 185 -1 N HIS A 185 O ARG A 230 SHEET 4 AA6 5 ARG A 257 LEU A 261 -1 O SER A 259 N LEU A 178 SHEET 5 AA6 5 ILE A 118 ALA A 122 -1 N ASP A 119 O PHE A 260 SHEET 1 AA7 5 GLY A 100 PHE A 102 0 SHEET 2 AA7 5 ARG A 230 LEU A 238 1 O PHE A 233 N LYS A 101 SHEET 3 AA7 5 ALA A 177 HIS A 185 -1 N HIS A 185 O ARG A 230 SHEET 4 AA7 5 PHE A 252 PRO A 255 -1 O ILE A 253 N GLY A 182 SHEET 5 AA7 5 MET A 150 TRP A 152 -1 N LYS A 151 O ALA A 254 SHEET 1 AA8 2 THR A 136 ARG A 140 0 SHEET 2 AA8 2 SER A 144 SER A 145 -1 O SER A 145 N THR A 136 SHEET 1 AA9 4 MET A 165 LYS A 170 0 SHEET 2 AA9 4 THR A 243 PHE A 248 -1 O VAL A 244 N TYR A 169 SHEET 3 AA9 4 VAL A 203 GLY A 206 -1 N THR A 204 O SER A 247 SHEET 4 AA9 4 GLN A 211 PHE A 214 -1 O PHE A 214 N VAL A 203 SHEET 1 AB1 2 CYS A 282 TYR A 284 0 SHEET 2 AB1 2 GLY A 287 ILE A 289 -1 O GLY A 287 N TYR A 284 SHEET 1 AB2 2 PHE A 295 GLN A 296 0 SHEET 2 AB2 2 ARG A 308 TYR A 309 1 O ARG A 308 N GLN A 296 SHEET 1 AB3 4 GLN H 3 SER H 7 0 SHEET 2 AB3 4 LEU H 18 SER H 25 -1 O THR H 21 N SER H 7 SHEET 3 AB3 4 GLN H 77 VAL H 82 -1 O LEU H 80 N LEU H 20 SHEET 4 AB3 4 VAL H 67 GLU H 72 -1 N THR H 68 O LYS H 81 SHEET 1 AB4 5 THR H 57 TYR H 59 0 SHEET 2 AB4 5 LEU H 45 VAL H 51 -1 N TYR H 50 O SER H 58 SHEET 3 AB4 5 TYR H 34 GLN H 39 -1 N ARG H 38 O GLU H 46 SHEET 4 AB4 5 LEU H 89 PRO H 96 -1 O VAL H 95 N TYR H 35 SHEET 5 AB4 5 THR H 107 MET H 108 -1 O THR H 107 N TYR H 90 SHEET 1 AB5 4 MET L 4 SER L 7 0 SHEET 2 AB5 4 VAL L 19 ALA L 25 -1 O ARG L 24 N THR L 5 SHEET 3 AB5 4 GLU L 70 ILE L 75 -1 O PHE L 71 N CYS L 23 SHEET 4 AB5 4 PHE L 62 SER L 67 -1 N SER L 63 O THR L 74 SHEET 1 AB6 5 ARG L 53 LEU L 54 0 SHEET 2 AB6 5 GLN L 45 SER L 49 -1 N SER L 49 O ARG L 53 SHEET 3 AB6 5 ARG L 34 GLN L 38 -1 N TRP L 35 O LEU L 47 SHEET 4 AB6 5 THR L 85 LEU L 89 -1 O TYR L 87 N TYR L 36 SHEET 5 AB6 5 THR L 102 LYS L 103 -1 O THR L 102 N TYR L 86 SHEET 1 AB7 5 GLU C1032 ALA C1036 0 SHEET 2 AB7 5 TYR C1022 GLN C1027 -1 N HIS C1026 O GLY C1033 SHEET 3 AB7 5 LYS C 12 HIS C 17 -1 N CYS C 14 O ARG C1025 SHEET 4 AB7 5 CYS C1137 ILE C1140 -1 O PHE C1138 N ILE C 13 SHEET 5 AB7 5 ALA C1130 ASP C1133 -1 N GLU C1131 O GLU C1139 SHEET 1 AB8 2 THR C 24 ASN C 27 0 SHEET 2 AB8 2 ARG C 32 VAL C 36 -1 O VAL C 34 N VAL C 26 SHEET 1 AB9 2 ALA C 39 GLU C 41 0 SHEET 2 AB9 2 LEU C 316 ALA C 318 -1 O LEU C 317 N THR C 40 SHEET 1 AC1 3 VAL C 43 GLU C 44 0 SHEET 2 AC1 3 PHE C 295 GLN C 296 1 O PHE C 295 N GLU C 44 SHEET 3 AC1 3 ARG C 308 TYR C 309 1 O ARG C 308 N GLN C 296 SHEET 1 AC2 2 ILE C 51 CYS C 52 0 SHEET 2 AC2 2 VAL C 274 ASP C 275 1 O ASP C 275 N ILE C 51 SHEET 1 AC3 3 THR C 58 LEU C 61 0 SHEET 2 AC3 3 LEU C 86 GLU C 89 1 O ILE C 88 N VAL C 59 SHEET 3 AC3 3 MET C 266 GLN C 269 1 O ILE C 268 N ILE C 87 SHEET 1 AC4 5 GLY C 100 PHE C 102 0 SHEET 2 AC4 5 ARG C 230 LEU C 238 1 O ILE C 231 N LYS C 101 SHEET 3 AC4 5 ALA C 177 HIS C 185 -1 N HIS C 185 O ARG C 230 SHEET 4 AC4 5 ARG C 257 LEU C 261 -1 O SER C 259 N LEU C 178 SHEET 5 AC4 5 ILE C 118 ALA C 122 -1 N ASP C 119 O PHE C 260 SHEET 1 AC5 5 GLY C 100 PHE C 102 0 SHEET 2 AC5 5 ARG C 230 LEU C 238 1 O ILE C 231 N LYS C 101 SHEET 3 AC5 5 ALA C 177 HIS C 185 -1 N HIS C 185 O ARG C 230 SHEET 4 AC5 5 PHE C 252 PRO C 255 -1 O ILE C 253 N GLY C 182 SHEET 5 AC5 5 MET C 150 TRP C 152 -1 N LYS C 151 O ALA C 254 SHEET 1 AC6 4 MET C 165 LYS C 170 0 SHEET 2 AC6 4 THR C 243 PHE C 248 -1 O PHE C 246 N LYS C 167 SHEET 3 AC6 4 VAL C 203 GLY C 206 -1 N THR C 204 O SER C 247 SHEET 4 AC6 4 GLN C 211 PHE C 214 -1 O PHE C 214 N VAL C 203 SHEET 1 AC7 2 CYS C 282 TYR C 284 0 SHEET 2 AC7 2 GLY C 287 ILE C 289 -1 O GLY C 287 N TYR C 284 SHEET 1 AC8 4 GLN G 3 SER G 7 0 SHEET 2 AC8 4 LEU G 18 SER G 25 -1 O THR G 21 N SER G 7 SHEET 3 AC8 4 GLN G 77 VAL G 82 -1 O LEU G 80 N LEU G 20 SHEET 4 AC8 4 VAL G 67 GLU G 72 -1 N GLU G 72 O GLN G 77 SHEET 1 AC9 5 THR G 57 TYR G 59 0 SHEET 2 AC9 5 LEU G 45 VAL G 51 -1 N TYR G 50 O SER G 58 SHEET 3 AC9 5 TYR G 34 GLN G 39 -1 N ARG G 38 O GLU G 46 SHEET 4 AC9 5 LEU G 89 PRO G 96 -1 O VAL G 95 N TYR G 35 SHEET 5 AC9 5 ILE G 102 TRP G 103 -1 O ILE G 102 N ARG G 94 SHEET 1 AD1 5 THR G 57 TYR G 59 0 SHEET 2 AD1 5 LEU G 45 VAL G 51 -1 N TYR G 50 O SER G 58 SHEET 3 AD1 5 TYR G 34 GLN G 39 -1 N ARG G 38 O GLU G 46 SHEET 4 AD1 5 LEU G 89 PRO G 96 -1 O VAL G 95 N TYR G 35 SHEET 5 AD1 5 THR G 107 MET G 108 -1 O THR G 107 N TYR G 90 SHEET 1 AD2 4 MET I 4 SER I 7 0 SHEET 2 AD2 4 VAL I 19 ALA I 25 -1 O ARG I 24 N THR I 5 SHEET 3 AD2 4 GLU I 70 ILE I 75 -1 O PHE I 71 N CYS I 23 SHEET 4 AD2 4 PHE I 62 SER I 67 -1 N SER I 63 O THR I 74 SHEET 1 AD3 5 ARG I 53 LEU I 54 0 SHEET 2 AD3 5 GLN I 45 SER I 49 -1 N SER I 49 O ARG I 53 SHEET 3 AD3 5 ARG I 34 GLN I 38 -1 N TRP I 35 O LEU I 47 SHEET 4 AD3 5 THR I 85 LEU I 89 -1 O TYR I 87 N TYR I 36 SHEET 5 AD3 5 THR I 102 LYS I 103 -1 O THR I 102 N TYR I 86 SHEET 1 AD4 5 GLU E1032 ALA E1036 0 SHEET 2 AD4 5 TYR E1022 GLN E1027 -1 N HIS E1026 O GLY E1033 SHEET 3 AD4 5 LYS E 12 HIS E 17 -1 N CYS E 14 O ARG E1025 SHEET 4 AD4 5 CYS E1137 ILE E1140 -1 O PHE E1138 N ILE E 13 SHEET 5 AD4 5 ALA E1130 ASP E1133 -1 N GLU E1131 O GLU E1139 SHEET 1 AD5 2 THR E 24 VAL E 26 0 SHEET 2 AD5 2 VAL E 34 VAL E 36 -1 O VAL E 34 N VAL E 26 SHEET 1 AD6 2 ALA E 39 GLU E 41 0 SHEET 2 AD6 2 LEU E 316 ALA E 318 -1 O LEU E 317 N THR E 40 SHEET 1 AD7 3 VAL E 43 GLU E 44 0 SHEET 2 AD7 3 PHE E 295 GLN E 296 1 O PHE E 295 N GLU E 44 SHEET 3 AD7 3 ARG E 308 TYR E 309 1 O ARG E 308 N GLN E 296 SHEET 1 AD8 2 ILE E 51 CYS E 52 0 SHEET 2 AD8 2 VAL E 274 ASP E 275 1 O ASP E 275 N ILE E 51 SHEET 1 AD9 3 THR E 58 LEU E 61 0 SHEET 2 AD9 3 LEU E 86 GLU E 89 1 O ILE E 88 N VAL E 59 SHEET 3 AD9 3 MET E 266 GLN E 269 1 O ILE E 268 N ILE E 87 SHEET 1 AE1 5 ILE E 118 ALA E 122 0 SHEET 2 AE1 5 ARG E 257 LEU E 261 -1 O PHE E 260 N ASP E 119 SHEET 3 AE1 5 ALA E 177 HIS E 185 -1 N LEU E 178 O SER E 259 SHEET 4 AE1 5 PHE E 252 PRO E 255 -1 O ILE E 253 N GLY E 182 SHEET 5 AE1 5 MET E 150 TRP E 152 -1 N LYS E 151 O ALA E 254 SHEET 1 AE2 4 ILE E 118 ALA E 122 0 SHEET 2 AE2 4 ARG E 257 LEU E 261 -1 O PHE E 260 N ASP E 119 SHEET 3 AE2 4 ALA E 177 HIS E 185 -1 N LEU E 178 O SER E 259 SHEET 4 AE2 4 ARG E 230 LEU E 238 -1 O ARG E 230 N HIS E 185 SHEET 1 AE3 4 MET E 165 LYS E 170 0 SHEET 2 AE3 4 THR E 243 PHE E 248 -1 O PHE E 246 N LYS E 167 SHEET 3 AE3 4 VAL E 203 GLY E 206 -1 N THR E 204 O SER E 247 SHEET 4 AE3 4 GLN E 211 PHE E 214 -1 O PHE E 214 N VAL E 203 SHEET 1 AE4 2 CYS E 282 TYR E 284 0 SHEET 2 AE4 2 GLY E 287 ILE E 289 -1 O GLY E 287 N TYR E 284 SHEET 1 AE5 4 GLN J 3 SER J 7 0 SHEET 2 AE5 4 LEU J 18 SER J 25 -1 O THR J 21 N SER J 7 SHEET 3 AE5 4 GLN J 77 VAL J 82 -1 O LEU J 80 N LEU J 20 SHEET 4 AE5 4 VAL J 67 GLU J 72 -1 N THR J 68 O LYS J 81 SHEET 1 AE6 5 THR J 57 TYR J 59 0 SHEET 2 AE6 5 LEU J 45 VAL J 51 -1 N TYR J 50 O SER J 58 SHEET 3 AE6 5 TYR J 34 GLN J 39 -1 N ARG J 38 O GLU J 46 SHEET 4 AE6 5 LEU J 89 PRO J 96 -1 O VAL J 95 N TYR J 35 SHEET 5 AE6 5 ILE J 102 TRP J 103 -1 O ILE J 102 N ARG J 94 SHEET 1 AE7 5 THR J 57 TYR J 59 0 SHEET 2 AE7 5 LEU J 45 VAL J 51 -1 N TYR J 50 O SER J 58 SHEET 3 AE7 5 TYR J 34 GLN J 39 -1 N ARG J 38 O GLU J 46 SHEET 4 AE7 5 LEU J 89 PRO J 96 -1 O VAL J 95 N TYR J 35 SHEET 5 AE7 5 THR J 107 MET J 108 -1 O THR J 107 N TYR J 90 SHEET 1 AE8 4 MET K 4 SER K 7 0 SHEET 2 AE8 4 VAL K 19 ALA K 25 -1 O ARG K 24 N THR K 5 SHEET 3 AE8 4 GLU K 70 ILE K 75 -1 O PHE K 71 N CYS K 23 SHEET 4 AE8 4 PHE K 62 SER K 67 -1 N SER K 63 O THR K 74 SHEET 1 AE9 4 GLN K 45 CYS K 46 0 SHEET 2 AE9 4 LEU K 33 GLN K 38 -1 N GLN K 37 O GLN K 45 SHEET 3 AE9 4 THR K 85 GLN K 90 -1 O TYR K 87 N TYR K 36 SHEET 4 AE9 4 THR K 102 LYS K 103 -1 O THR K 102 N TYR K 86 SSBOND 1 CYS A 14 CYS A 1137 1555 1555 2.03 SSBOND 2 CYS A 52 CYS A 278 1555 1555 2.03 SSBOND 3 CYS A 64 CYS A 76 1555 1555 2.03 SSBOND 4 CYS A 97 CYS A 139 1555 1555 2.03 SSBOND 5 CYS A 282 CYS A 306 1555 1555 2.03 SSBOND 6 CYS A 1144 CYS A 1148 1555 1555 2.02 SSBOND 7 CYS H 22 CYS H 92 1555 1555 2.03 SSBOND 8 CYS L 23 CYS L 88 1555 1555 2.04 SSBOND 9 CYS C 14 CYS C 1137 1555 1555 2.03 SSBOND 10 CYS C 52 CYS C 278 1555 1555 2.03 SSBOND 11 CYS C 64 CYS C 76 1555 1555 2.03 SSBOND 12 CYS C 97 CYS C 139 1555 1555 1.98 SSBOND 13 CYS C 282 CYS C 306 1555 1555 2.03 SSBOND 14 CYS C 1144 CYS C 1148 1555 1555 2.02 SSBOND 15 CYS G 22 CYS G 92 1555 1555 2.03 SSBOND 16 CYS I 23 CYS I 88 1555 1555 2.04 SSBOND 17 CYS E 14 CYS E 1137 1555 1555 2.03 SSBOND 18 CYS E 52 CYS E 278 1555 1555 2.03 SSBOND 19 CYS E 64 CYS E 76 1555 1555 2.03 SSBOND 20 CYS E 97 CYS E 139 1555 1555 2.05 SSBOND 21 CYS E 282 CYS E 306 1555 1555 2.03 SSBOND 22 CYS E 1144 CYS E 1148 1555 1555 2.02 SSBOND 23 CYS J 22 CYS J 92 1555 1555 2.03 SSBOND 24 CYS K 23 CYS K 88 1555 1555 2.04 LINK ND2 ASN A 38 C1 NAG M 1 1555 1555 1.45 LINK ND2 ASN A 241 C1 NAG A2001 1555 1555 1.58 LINK ND2 ASN A1082 C1 NAG N 1 1555 1555 1.44 LINK ND2 ASN A1154 C1 NAG O 1 1555 1555 1.46 LINK ND2 ASN C 38 C1 NAG P 1 1555 1555 1.45 LINK ND2 ASN C 241 C1 NAG C2001 1555 1555 1.57 LINK ND2 ASN C1082 C1 NAG Q 1 1555 1555 1.44 LINK ND2 ASN C1154 C1 NAG R 1 1555 1555 1.45 LINK ND2 ASN E 38 C1 NAG S 1 1555 1555 1.45 LINK ND2 ASN E 241 C1 NAG E2001 1555 1555 1.48 LINK ND2 ASN E1082 C1 NAG T 1 1555 1555 1.44 LINK ND2 ASN E1154 C1 NAG U 1 1555 1555 1.45 LINK O4 NAG M 1 C1 NAG M 2 1555 1555 1.44 LINK O4 NAG N 1 C1 NAG N 2 1555 1555 1.44 LINK O4 NAG O 1 C1 NAG O 2 1555 1555 1.48 LINK O4 NAG P 1 C1 NAG P 2 1555 1555 1.44 LINK O4 NAG Q 1 C1 NAG Q 2 1555 1555 1.44 LINK O4 NAG R 1 C1 NAG R 2 1555 1555 1.45 LINK O4 NAG S 1 C1 NAG S 2 1555 1555 1.44 LINK O4 NAG T 1 C1 NAG T 2 1555 1555 1.44 LINK O4 NAG U 1 C1 NAG U 2 1555 1555 1.45 CISPEP 1 SER L 7 PRO L 8 0 -7.02 CISPEP 2 SER I 7 PRO I 8 0 -7.03 CISPEP 3 SER K 7 PRO K 8 0 -7.09 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000