| Chain sequence(s) |
A: QVQLQESGPGLVKPSETLSLTCAVSGHSISHDHAWSWVRQPPGEGLEWIGFISYSGITNYNPSLQGRVTISRDNSKNTLYLQMNSLRAEDTAVYYCARSLARTTAMDYWGEGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERKSCVECPPCPAPPVAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVVHQDWLNGKEYKCKVSNKGLPAPIEKTISKTKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQEGNVFSCSVMHEALHAHYTQKSLSLSP
C: DIQMTQSPSSLSASVGDSVTITCQASTDISSHLNWYQQKPGKAPELLIYYGSHLLSGVPSRFSGSGSGTDFTFTISSLEAEDAATYYCGQGNRLPYTFGQGTKVEIERTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC B: QVQLQESGPGLVKPSETLSLTCAVSGHSISHDHAWSWVRQPPGEGLEWIGFISYSGITNYNPSLQGRVTISRDNSKNTLYLQMNSLRAEDTAVYYCARSLARTTAMDYWGEGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERKSCVECPPCPAPPVAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVVHQDWLNGKEYKCKVSNKGLPAPIEKTISKTKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQEGNVFSCSVMHEALHAHYTQKSLSLSP D: DIQMTQSPSSLSASVGDSVTITCQASTDISSHLNWYQQKPGKAPELLIYYGSHLLSGVPSRFSGSGSGTDFTFTISSLEAEDAATYYCGQGNRLPYTFGQGTKVEIERTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b1be17dc21e8d6a/tmp/folded.pdb (00:13:40)
[INFO] Main: Simulation completed successfully. (00:20:13)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | Q | A | -1.6990 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -2.0949 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -1.9595 | |
| 6 | E | A | -1.1726 | |
| 7 | S | A | -0.8276 | |
| 8 | G | A | -0.3963 | |
| 9 | P | A | -0.4529 | |
| 10 | G | A | -0.3941 | |
| 11 | L | A | -0.2273 | |
| 12 | V | A | 0.0000 | |
| 13 | K | A | -2.1078 | |
| 14 | P | A | -2.1541 | |
| 15 | S | A | -1.9316 | |
| 16 | E | A | -2.5103 | |
| 17 | T | A | -1.5237 | |
| 18 | L | A | 0.0000 | |
| 19 | S | A | -0.7114 | |
| 20 | L | A | 0.0000 | |
| 21 | T | A | -0.4112 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | -1.0261 | |
| 24 | V | A | 0.0000 | |
| 25 | S | A | -1.5222 | |
| 26 | G | A | -1.4281 | |
| 27 | H | A | -1.2677 | |
| 28 | S | A | -1.2299 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -1.0579 | |
| 31 | H | A | -1.3553 | |
| 32 | D | A | -0.8989 | |
| 33 | H | A | -0.5999 | |
| 34 | A | A | 0.2679 | |
| 35 | W | A | 0.0000 | |
| 36 | S | A | 0.0000 | |
| 37 | W | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | R | A | 0.0000 | |
| 40 | Q | A | -0.7729 | |
| 41 | P | A | -1.2305 | |
| 42 | P | A | -1.0146 | |
| 43 | G | A | -1.5208 | |
| 44 | E | A | -2.4880 | |
| 45 | G | A | -1.6302 | |
| 46 | L | A | 0.0000 | |
| 47 | E | A | -0.8097 | |
| 48 | W | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | F | A | 0.4451 | |
| 52 | I | A | 0.0000 | |
| 53 | S | A | 0.5808 | |
| 54 | Y | A | 0.2968 | |
| 55 | S | A | 0.3815 | |
| 56 | G | A | 0.6322 | |
| 57 | I | A | 1.8935 | |
| 58 | T | A | 0.7875 | |
| 59 | N | A | -0.0153 | |
| 60 | Y | A | -0.3753 | |
| 61 | N | A | 0.0000 | |
| 62 | P | A | -0.9689 | |
| 63 | S | A | -0.9239 | |
| 64 | L | A | 0.0000 | |
| 65 | Q | A | -1.6309 | |
| 66 | G | A | -1.2781 | |
| 67 | R | A | -1.1771 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -0.6192 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.2875 | |
| 72 | R | A | -1.1869 | |
| 73 | D | A | -1.8194 | |
| 74 | N | A | -2.3827 | |
| 75 | S | A | -1.9114 | |
| 76 | K | A | -2.5158 | |
| 77 | N | A | -1.9500 | |
| 78 | T | A | -1.3754 | |
| 79 | L | A | 0.0000 | |
| 80 | Y | A | -0.0928 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -0.7704 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | -1.6031 | |
| 85 | S | A | -1.6674 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.8098 | |
| 88 | A | A | -1.8501 | |
| 89 | E | A | -2.3626 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.8185 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.0979 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | S | A | 0.0000 | |
| 100 | L | A | -0.4084 | |
| 101 | A | A | -0.7980 | |
| 102 | R | A | -1.7241 | |
| 103 | T | A | -0.7137 | |
| 104 | T | A | -0.5968 | |
| 105 | A | A | 0.0000 | |
| 106 | M | A | 0.0000 | |
| 107 | D | A | 0.0000 | |
| 108 | Y | A | -0.3722 | |
| 109 | W | A | -0.7843 | |
| 110 | G | A | 0.0000 | |
| 111 | E | A | -2.6444 | |
| 112 | G | A | -1.4194 | |
| 113 | T | A | -0.5616 | |
| 114 | L | A | -0.0472 | |
| 115 | V | A | 0.0000 | |
| 116 | T | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | S | A | -0.8370 | |
| 119 | S | A | -0.7054 | |
| 120 | A | A | -0.5115 | |
| 121 | S | A | -0.6406 | |
| 122 | T | A | -0.8134 | |
| 123 | K | A | -1.3389 | |
| 124 | G | A | -1.4185 | |
| 125 | P | A | 0.0000 | |
| 126 | S | A | -0.4197 | |
| 127 | V | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | P | A | -0.7490 | |
| 130 | L | A | 0.0000 | |
| 131 | A | A | -0.6334 | |
| 132 | P | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | S | A | -0.3458 | |
| 135 | K | A | -0.4956 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | -0.4284 | |
| 138 | S | A | -0.5636 | |
| 139 | G | A | -0.7783 | |
| 140 | G | A | -0.8383 | |
| 141 | T | A | -0.6081 | |
| 142 | A | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | C | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | K | A | 0.0000 | |
| 150 | D | A | -0.3678 | |
| 151 | Y | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | E | A | -0.3786 | |
| 155 | P | A | -0.6767 | |
| 156 | V | A | 0.0000 | |
| 157 | T | A | -0.7065 | |
| 158 | V | A | -0.2841 | |
| 159 | S | A | -0.5033 | |
| 160 | W | A | 0.0000 | |
| 161 | N | A | -0.8002 | |
| 162 | S | A | -0.7627 | |
| 163 | G | A | -0.5592 | |
| 164 | A | A | -0.2379 | |
| 165 | L | A | -0.0761 | |
| 166 | T | A | -0.1847 | |
| 167 | S | A | -0.1990 | |
| 168 | G | A | -0.2457 | |
| 169 | V | A | 0.1455 | |
| 170 | H | A | -0.3131 | |
| 171 | T | A | 0.0045 | |
| 172 | F | A | 0.0000 | |
| 173 | P | A | -0.3084 | |
| 174 | A | A | 0.2543 | |
| 175 | V | A | 0.5392 | |
| 176 | L | A | 1.1624 | |
| 177 | Q | A | 0.2758 | |
| 178 | S | A | -0.0801 | |
| 179 | S | A | -0.2232 | |
| 180 | G | A | 0.0024 | |
| 181 | L | A | 0.1341 | |
| 182 | Y | A | 0.4426 | |
| 183 | S | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | T | A | -0.1210 | |
| 190 | V | A | 0.0000 | |
| 191 | P | A | -0.6211 | |
| 192 | S | A | -0.6612 | |
| 193 | S | A | -0.8345 | |
| 194 | N | A | -0.9164 | |
| 195 | F | A | 0.0000 | |
| 196 | G | A | -1.2571 | |
| 197 | T | A | -0.8094 | |
| 198 | Q | A | -0.9582 | |
| 199 | T | A | -0.9346 | |
| 200 | Y | A | 0.0000 | |
| 201 | T | A | -1.0932 | |
| 202 | C | A | 0.0000 | |
| 203 | N | A | -1.5229 | |
| 204 | V | A | 0.0000 | |
| 205 | D | A | -2.0959 | |
| 206 | H | A | 0.0000 | |
| 207 | K | A | -2.7733 | |
| 208 | P | A | -1.6197 | |
| 209 | S | A | -1.8511 | |
| 210 | N | A | -2.5995 | |
| 211 | T | A | -2.1114 | |
| 212 | K | A | -2.7775 | |
| 213 | V | A | -1.5396 | |
| 214 | D | A | -2.3536 | |
| 215 | K | A | -1.6337 | |
| 216 | T | A | -1.1926 | |
| 217 | V | A | 0.0000 | |
| 218 | E | A | -2.1393 | |
| 219 | R | A | -1.4793 | |
| 220 | K | A | -0.9191 | |
| 221 | S | A | -0.7349 | |
| 222 | C | A | -0.3783 | |
| 223 | V | A | -0.2355 | |
| 224 | E | A | -1.3393 | |
| 225 | C | A | -0.5290 | |
| 226 | P | A | -0.6539 | |
| 227 | P | A | -0.3988 | |
| 228 | C | A | -0.0917 | |
| 229 | P | A | -0.1508 | |
| 230 | A | A | 0.1321 | |
| 231 | P | A | 0.0094 | |
| 232 | P | A | 0.2994 | |
| 233 | V | A | 1.3940 | |
| 234 | A | A | 0.6003 | |
| 235 | G | A | 0.0594 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | 0.1228 | |
| 238 | V | A | 0.0000 | |
| 239 | F | A | 1.2149 | |
| 240 | L | A | 0.8603 | |
| 241 | F | A | 1.0942 | |
| 242 | P | A | -0.1263 | |
| 243 | P | A | 0.0000 | |
| 244 | K | A | -2.0483 | |
| 245 | P | A | -1.3976 | |
| 246 | K | A | -1.2171 | |
| 247 | D | A | -1.2219 | |
| 248 | T | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | M | A | 0.4229 | |
| 251 | I | A | 1.4479 | |
| 252 | S | A | 0.0594 | |
| 253 | R | A | -1.2140 | |
| 254 | T | A | -0.6715 | |
| 255 | P | A | 0.0000 | |
| 256 | E | A | -1.2198 | |
| 257 | V | A | 0.0000 | |
| 258 | T | A | 0.1105 | |
| 259 | C | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | V | A | -0.7799 | |
| 263 | D | A | -0.8317 | |
| 264 | V | A | 0.0000 | |
| 265 | S | A | -2.1134 | |
| 266 | Q | A | -2.8286 | |
| 267 | E | A | -3.1168 | |
| 268 | D | A | -2.7404 | |
| 269 | P | A | -2.8258 | |
| 270 | E | A | -3.1277 | |
| 271 | V | A | -1.8886 | |
| 272 | Q | A | -1.7500 | |
| 273 | F | A | -0.9944 | |
| 274 | N | A | -1.0880 | |
| 275 | W | A | 0.0000 | |
| 276 | Y | A | -0.7086 | |
| 277 | V | A | -1.0082 | |
| 278 | D | A | -2.2673 | |
| 279 | G | A | -0.9495 | |
| 280 | V | A | 0.5464 | |
| 281 | E | A | -0.6810 | |
| 282 | V | A | -0.5632 | |
| 283 | H | A | -1.8966 | |
| 284 | N | A | -2.1829 | |
| 285 | A | A | -1.9132 | |
| 286 | K | A | -2.4207 | |
| 287 | T | A | -1.9079 | |
| 288 | K | A | -2.3600 | |
| 289 | P | A | -2.5508 | |
| 290 | R | A | -3.9511 | |
| 291 | E | A | -3.8991 | |
| 292 | E | A | -3.3807 | |
| 293 | Q | A | -1.3627 | |
| 294 | F | A | 0.8068 | |
| 295 | N | A | -0.3706 | |
| 296 | S | A | -1.0860 | |
| 297 | T | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | R | A | -2.5747 | |
| 300 | V | A | 0.0000 | |
| 301 | V | A | 0.0000 | |
| 302 | S | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | T | A | -0.6845 | |
| 306 | V | A | 0.0000 | |
| 307 | V | A | 0.8759 | |
| 308 | H | A | -0.1154 | |
| 309 | Q | A | -1.1413 | |
| 310 | D | A | -1.4953 | |
| 311 | W | A | 0.0000 | |
| 312 | L | A | -1.1348 | |
| 313 | N | A | -2.0903 | |
| 314 | G | A | 0.0000 | |
| 315 | K | A | -2.3279 | |
| 316 | E | A | -2.5166 | |
| 317 | Y | A | 0.0000 | |
| 318 | K | A | -1.7892 | |
| 319 | C | A | 0.0000 | |
| 320 | K | A | -1.5513 | |
| 321 | V | A | 0.0000 | |
| 322 | S | A | -1.3701 | |
| 323 | N | A | 0.0000 | |
| 324 | K | A | -2.6931 | |
| 325 | G | A | -1.8195 | |
| 326 | L | A | -0.7708 | |
| 327 | P | A | -0.5916 | |
| 328 | A | A | -0.5059 | |
| 329 | P | A | -0.9057 | |
| 330 | I | A | -0.6830 | |
| 331 | E | A | -2.1092 | |
| 332 | K | A | -1.2956 | |
| 333 | T | A | -1.1390 | |
| 334 | I | A | -0.3247 | |
| 335 | S | A | -1.2670 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | -1.1966 | |
| 338 | K | A | -2.3108 | |
| 339 | G | A | -1.9652 | |
| 340 | Q | A | -1.9570 | |
| 341 | P | A | -1.7802 | |
| 342 | R | A | -2.0685 | |
| 343 | E | A | -2.4866 | |
| 344 | P | A | 0.0000 | |
| 345 | Q | A | -1.3018 | |
| 346 | V | A | 0.0000 | |
| 347 | Y | A | 0.0000 | |
| 348 | T | A | -0.7792 | |
| 349 | L | A | 0.0000 | |
| 350 | P | A | -0.3199 | |
| 351 | P | A | -0.7332 | |
| 352 | S | A | -1.2541 | |
| 353 | Q | A | -2.0862 | |
| 354 | E | A | -2.5742 | |
| 355 | E | A | 0.0000 | |
| 356 | M | A | -1.7363 | |
| 357 | T | A | -1.5675 | |
| 358 | K | A | -2.2225 | |
| 359 | N | A | -2.5004 | |
| 360 | Q | A | -2.2556 | |
| 361 | V | A | 0.0000 | |
| 362 | S | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | C | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | K | A | -0.4814 | |
| 369 | G | A | 0.0000 | |
| 370 | F | A | 0.0000 | |
| 371 | Y | A | -1.1371 | |
| 372 | P | A | 0.0000 | |
| 373 | S | A | -0.3326 | |
| 374 | D | A | -1.3090 | |
| 375 | I | A | 0.0000 | |
| 376 | A | A | -0.6512 | |
| 377 | V | A | 0.0000 | |
| 378 | E | A | -1.2117 | |
| 379 | W | A | 0.0000 | |
| 380 | E | A | -1.9349 | |
| 381 | S | A | 0.0000 | |
| 382 | N | A | -1.8512 | |
| 383 | G | A | -1.7869 | |
| 384 | Q | A | -2.3224 | |
| 385 | P | A | -1.9740 | |
| 386 | E | A | -1.8293 | |
| 387 | N | A | -1.9513 | |
| 388 | N | A | -1.1740 | |
| 389 | Y | A | -0.7925 | |
| 390 | K | A | -0.6302 | |
| 391 | T | A | -0.3324 | |
| 392 | T | A | 0.0000 | |
| 393 | P | A | -0.1216 | |
| 394 | P | A | 0.1088 | |
| 395 | M | A | 0.5294 | |
| 396 | L | A | 0.7429 | |
| 397 | D | A | -0.4792 | |
| 398 | S | A | -1.1436 | |
| 399 | D | A | -1.9440 | |
| 400 | G | A | -1.0090 | |
| 401 | S | A | 0.0000 | |
| 402 | F | A | 0.1180 | |
| 403 | F | A | 0.0000 | |
| 404 | L | A | 0.0000 | |
| 405 | Y | A | 0.0000 | |
| 406 | S | A | 0.0000 | |
| 407 | K | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | T | A | -0.8315 | |
| 410 | V | A | 0.0000 | |
| 411 | D | A | -2.5288 | |
| 412 | K | A | -2.7226 | |
| 413 | S | A | -2.3353 | |
| 414 | R | A | -2.1214 | |
| 415 | W | A | 0.0000 | |
| 416 | Q | A | -2.3910 | |
| 417 | E | A | -2.5677 | |
| 418 | G | A | -1.3264 | |
| 419 | N | A | -0.8667 | |
| 420 | V | A | 0.1694 | |
| 421 | F | A | 0.0000 | |
| 422 | S | A | 0.0000 | |
| 423 | C | A | 0.0000 | |
| 424 | S | A | 0.0000 | |
| 425 | V | A | 0.0000 | |
| 426 | M | A | 0.0000 | |
| 427 | H | A | 0.0000 | |
| 428 | E | A | -0.9064 | |
| 429 | A | A | -1.2979 | |
| 430 | L | A | -1.0193 | |
| 431 | H | A | -1.0836 | |
| 432 | A | A | -0.0937 | |
| 433 | H | A | -0.2674 | |
| 434 | Y | A | 0.0471 | |
| 435 | T | A | -0.6650 | |
| 436 | Q | A | -1.5587 | |
| 437 | K | A | -1.3570 | |
| 438 | S | A | -0.6513 | |
| 439 | L | A | 0.0000 | |
| 440 | S | A | -0.1138 | |
| 441 | L | A | -0.2258 | |
| 442 | S | A | -0.2614 | |
| 443 | P | A | -0.3658 | |
| 1 | Q | B | -1.7024 | |
| 2 | V | B | 0.0000 | |
| 3 | Q | B | -2.1206 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -2.0736 | |
| 6 | E | B | -1.2825 | |
| 7 | S | B | -0.9569 | |
| 8 | G | B | -0.6269 | |
| 9 | P | B | -0.5468 | |
| 10 | G | B | -0.4508 | |
| 11 | L | B | -0.2565 | |
| 12 | V | B | 0.0000 | |
| 13 | K | B | -2.0459 | |
| 14 | P | B | -1.9763 | |
| 15 | S | B | -1.7955 | |
| 16 | E | B | -2.3542 | |
| 17 | T | B | -1.4968 | |
| 18 | L | B | 0.0000 | |
| 19 | S | B | -0.7449 | |
| 20 | L | B | 0.0000 | |
| 21 | T | B | -0.4733 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -1.0575 | |
| 24 | V | B | 0.0000 | |
| 25 | S | B | -1.5338 | |
| 26 | G | B | -1.4271 | |
| 27 | H | B | -1.2595 | |
| 28 | S | B | -1.2206 | |
| 29 | I | B | 0.0000 | |
| 30 | S | B | -1.0559 | |
| 31 | H | B | -1.3412 | |
| 32 | D | B | -0.8622 | |
| 33 | H | B | -0.5858 | |
| 34 | A | B | 0.2684 | |
| 35 | W | B | 0.0000 | |
| 36 | S | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | R | B | 0.0000 | |
| 40 | Q | B | 0.0000 | |
| 41 | P | B | -1.1707 | |
| 42 | P | B | -0.9837 | |
| 43 | G | B | -1.5012 | |
| 44 | E | B | -2.4601 | |
| 45 | G | B | -1.5987 | |
| 46 | L | B | 0.0000 | |
| 47 | E | B | -0.7896 | |
| 48 | W | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | F | B | 0.4433 | |
| 52 | I | B | 0.0000 | |
| 53 | S | B | 0.5933 | |
| 54 | Y | B | 0.3030 | |
| 55 | S | B | 0.3813 | |
| 56 | G | B | 0.6409 | |
| 57 | I | B | 1.9054 | |
| 58 | T | B | 0.8186 | |
| 59 | N | B | 0.0175 | |
| 60 | Y | B | -0.4180 | |
| 61 | N | B | -0.7426 | |
| 62 | P | B | -0.9923 | |
| 63 | S | B | -0.7962 | |
| 64 | L | B | 0.0000 | |
| 65 | Q | B | -1.6961 | |
| 66 | G | B | -1.3694 | |
| 67 | R | B | -1.3329 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -0.6524 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.2683 | |
| 72 | R | B | -1.1413 | |
| 73 | D | B | -1.8043 | |
| 74 | N | B | -2.3767 | |
| 75 | S | B | -1.9070 | |
| 76 | K | B | -2.5100 | |
| 77 | N | B | -1.9450 | |
| 78 | T | B | -1.3722 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | -0.0547 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -0.8141 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.6263 | |
| 85 | S | B | -1.6291 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.5141 | |
| 88 | A | B | -1.7082 | |
| 89 | E | B | -2.2629 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.7538 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1388 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | S | B | 0.0000 | |
| 100 | L | B | -0.4403 | |
| 101 | A | B | -0.7923 | |
| 102 | R | B | -1.7329 | |
| 103 | T | B | -0.7498 | |
| 104 | T | B | -0.6314 | |
| 105 | A | B | 0.0000 | |
| 106 | M | B | 0.0000 | |
| 107 | D | B | -0.1496 | |
| 108 | Y | B | -0.5192 | |
| 109 | W | B | -0.8987 | |
| 110 | G | B | 0.0000 | |
| 111 | E | B | -2.6759 | |
| 112 | G | B | -1.4374 | |
| 113 | T | B | -0.6196 | |
| 114 | L | B | -0.0542 | |
| 115 | V | B | 0.0000 | |
| 116 | T | B | -0.5082 | |
| 117 | V | B | 0.0000 | |
| 118 | S | B | -0.7849 | |
| 119 | S | B | -0.7006 | |
| 120 | A | B | -0.5093 | |
| 121 | S | B | -0.6491 | |
| 122 | T | B | -0.8209 | |
| 123 | K | B | -1.3395 | |
| 124 | G | B | -1.4126 | |
| 125 | P | B | 0.0000 | |
| 126 | S | B | -0.4705 | |
| 127 | V | B | 0.0000 | |
| 128 | F | B | 0.0000 | |
| 129 | P | B | -0.8017 | |
| 130 | L | B | 0.0000 | |
| 131 | A | B | -0.6655 | |
| 132 | P | B | 0.0000 | |
| 133 | S | B | -0.5104 | |
| 134 | S | B | -0.3843 | |
| 135 | K | B | -0.5701 | |
| 136 | S | B | 0.0000 | |
| 137 | T | B | -0.4684 | |
| 138 | S | B | -0.5836 | |
| 139 | G | B | -0.7829 | |
| 140 | G | B | -0.8502 | |
| 141 | T | B | -0.6193 | |
| 142 | A | B | 0.0000 | |
| 143 | A | B | 0.0000 | |
| 144 | L | B | 0.0000 | |
| 145 | G | B | 0.0000 | |
| 146 | C | B | 0.0000 | |
| 147 | L | B | 0.0000 | |
| 148 | V | B | 0.0000 | |
| 149 | K | B | 0.0000 | |
| 150 | D | B | -0.3641 | |
| 151 | Y | B | 0.0000 | |
| 152 | F | B | 0.0000 | |
| 153 | P | B | 0.0000 | |
| 154 | E | B | -0.3687 | |
| 155 | P | B | -0.6448 | |
| 156 | V | B | 0.0000 | |
| 157 | T | B | -0.6323 | |
| 158 | V | B | -0.1972 | |
| 159 | S | B | -0.4179 | |
| 160 | W | B | 0.0000 | |
| 161 | N | B | -0.6993 | |
| 162 | S | B | -0.7076 | |
| 163 | G | B | -0.5532 | |
| 164 | A | B | -0.2400 | |
| 165 | L | B | -0.0767 | |
| 166 | T | B | -0.1859 | |
| 167 | S | B | -0.1990 | |
| 168 | G | B | -0.2420 | |
| 169 | V | B | 0.1415 | |
| 170 | H | B | -0.3166 | |
| 171 | T | B | 0.0098 | |
| 172 | F | B | 0.0000 | |
| 173 | P | B | -0.3682 | |
| 174 | A | B | 0.2106 | |
| 175 | V | B | 0.4445 | |
| 176 | L | B | 1.1431 | |
| 177 | Q | B | 0.2665 | |
| 178 | S | B | -0.0849 | |
| 179 | S | B | -0.2258 | |
| 180 | G | B | -0.0008 | |
| 181 | L | B | 0.1417 | |
| 182 | Y | B | 0.4656 | |
| 183 | S | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | S | B | 0.0000 | |
| 187 | V | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | T | B | -0.1259 | |
| 190 | V | B | 0.0000 | |
| 191 | P | B | -0.6307 | |
| 192 | S | B | -0.6708 | |
| 193 | S | B | -0.6743 | |
| 194 | N | B | -0.8629 | |
| 195 | F | B | 0.0000 | |
| 196 | G | B | -1.0685 | |
| 197 | T | B | -0.7180 | |
| 198 | Q | B | -0.8659 | |
| 199 | T | B | -0.8588 | |
| 200 | Y | B | 0.0000 | |
| 201 | T | B | -1.0284 | |
| 202 | C | B | 0.0000 | |
| 203 | N | B | -1.3330 | |
| 204 | V | B | 0.0000 | |
| 205 | D | B | -1.8862 | |
| 206 | H | B | 0.0000 | |
| 207 | K | B | -2.7243 | |
| 208 | P | B | -1.6192 | |
| 209 | S | B | -1.8320 | |
| 210 | N | B | -2.5667 | |
| 211 | T | B | -2.0932 | |
| 212 | K | B | -2.6905 | |
| 213 | V | B | -1.4657 | |
| 214 | D | B | -2.0747 | |
| 215 | K | B | -1.5642 | |
| 216 | T | B | -1.1547 | |
| 217 | V | B | 0.0000 | |
| 218 | E | B | -2.1547 | |
| 219 | R | B | -1.5446 | |
| 220 | K | B | -1.0233 | |
| 221 | S | B | -0.8774 | |
| 222 | C | B | 0.0000 | |
| 223 | V | B | -0.4682 | |
| 224 | E | B | -1.3897 | |
| 225 | C | B | -0.5572 | |
| 226 | P | B | -0.5124 | |
| 227 | P | B | -0.3769 | |
| 228 | C | B | -0.0619 | |
| 229 | P | B | -0.1459 | |
| 230 | A | B | 0.1360 | |
| 231 | P | B | 0.0215 | |
| 232 | P | B | 0.3584 | |
| 233 | V | B | 1.4254 | |
| 234 | A | B | 0.5766 | |
| 235 | G | B | 0.0336 | |
| 236 | P | B | 0.0000 | |
| 237 | S | B | 0.0993 | |
| 238 | V | B | 0.0000 | |
| 239 | F | B | 1.2627 | |
| 240 | L | B | 0.9243 | |
| 241 | F | B | 1.1557 | |
| 242 | P | B | -0.1231 | |
| 243 | P | B | 0.0000 | |
| 244 | K | B | -2.3031 | |
| 245 | P | B | -1.5181 | |
| 246 | K | B | -1.4347 | |
| 247 | D | B | -1.4369 | |
| 248 | T | B | 0.0000 | |
| 249 | L | B | 0.0000 | |
| 250 | M | B | 0.3111 | |
| 251 | I | B | 1.3572 | |
| 252 | S | B | -0.0849 | |
| 253 | R | B | -1.5180 | |
| 254 | T | B | -0.7824 | |
| 255 | P | B | 0.0000 | |
| 256 | E | B | -1.0940 | |
| 257 | V | B | 0.0000 | |
| 258 | T | B | 0.1903 | |
| 259 | C | B | 0.0000 | |
| 260 | V | B | 0.0000 | |
| 261 | V | B | 0.0000 | |
| 262 | V | B | -0.7935 | |
| 263 | D | B | -0.9530 | |
| 264 | V | B | 0.0000 | |
| 265 | S | B | -2.2182 | |
| 266 | Q | B | -2.8679 | |
| 267 | E | B | -3.1595 | |
| 268 | D | B | -2.8215 | |
| 269 | P | B | -2.8113 | |
| 270 | E | B | -3.1099 | |
| 271 | V | B | -1.8613 | |
| 272 | Q | B | -1.7531 | |
| 273 | F | B | -0.9531 | |
| 274 | N | B | -1.0215 | |
| 275 | W | B | 0.0000 | |
| 276 | Y | B | -0.5766 | |
| 277 | V | B | -0.7908 | |
| 278 | D | B | -2.0038 | |
| 279 | G | B | -0.8044 | |
| 280 | V | B | 0.6402 | |
| 281 | E | B | -0.6383 | |
| 282 | V | B | -0.5372 | |
| 283 | H | B | -1.8847 | |
| 284 | N | B | -2.1753 | |
| 285 | A | B | -1.9128 | |
| 286 | K | B | -2.4780 | |
| 287 | T | B | -1.9877 | |
| 288 | K | B | -2.5273 | |
| 289 | P | B | -2.5450 | |
| 290 | R | B | -3.7644 | |
| 291 | E | B | -4.0074 | |
| 292 | E | B | -3.3392 | |
| 293 | Q | B | -1.3538 | |
| 294 | F | B | 0.9789 | |
| 295 | N | B | -0.4083 | |
| 296 | S | B | -1.1113 | |
| 297 | T | B | -1.8745 | |
| 298 | F | B | 0.0000 | |
| 299 | R | B | -2.5380 | |
| 300 | V | B | 0.0000 | |
| 301 | V | B | 0.0000 | |
| 302 | S | B | 0.0000 | |
| 303 | V | B | 0.0000 | |
| 304 | L | B | 0.0000 | |
| 305 | T | B | -0.5899 | |
| 306 | V | B | 0.0000 | |
| 307 | V | B | 1.0912 | |
| 308 | H | B | -0.1118 | |
| 309 | Q | B | -1.1492 | |
| 310 | D | B | -1.4480 | |
| 311 | W | B | 0.0000 | |
| 312 | L | B | -1.2560 | |
| 313 | N | B | -2.2811 | |
| 314 | G | B | -2.1313 | |
| 315 | K | B | -2.1158 | |
| 316 | E | B | -2.0156 | |
| 317 | Y | B | 0.0000 | |
| 318 | K | B | -1.5438 | |
| 319 | C | B | 0.0000 | |
| 320 | K | B | -1.3919 | |
| 321 | V | B | 0.0000 | |
| 322 | S | B | -1.3347 | |
| 323 | N | B | 0.0000 | |
| 324 | K | B | -2.7220 | |
| 325 | G | B | -2.0068 | |
| 326 | L | B | -0.7973 | |
| 327 | P | B | -0.6037 | |
| 328 | A | B | -0.4793 | |
| 329 | P | B | -0.8447 | |
| 330 | I | B | -0.5164 | |
| 331 | E | B | -1.7295 | |
| 332 | K | B | -1.1879 | |
| 333 | T | B | -0.9604 | |
| 334 | I | B | -0.2277 | |
| 335 | S | B | -1.1653 | |
| 336 | K | B | -1.3618 | |
| 337 | T | B | -1.2851 | |
| 338 | K | B | -2.3825 | |
| 339 | G | B | -1.9845 | |
| 340 | Q | B | -1.9333 | |
| 341 | P | B | -1.7453 | |
| 342 | R | B | -1.9772 | |
| 343 | E | B | -2.4384 | |
| 344 | P | B | 0.0000 | |
| 345 | Q | B | -1.2396 | |
| 346 | V | B | 0.0000 | |
| 347 | Y | B | 0.0000 | |
| 348 | T | B | -0.7367 | |
| 349 | L | B | 0.0000 | |
| 350 | P | B | -0.3314 | |
| 351 | P | B | -0.7352 | |
| 352 | S | B | -1.2553 | |
| 353 | Q | B | -2.0856 | |
| 354 | E | B | -2.5840 | |
| 355 | E | B | 0.0000 | |
| 356 | M | B | -1.7580 | |
| 357 | T | B | -1.5766 | |
| 358 | K | B | -2.2328 | |
| 359 | N | B | -2.4844 | |
| 360 | Q | B | -2.2185 | |
| 361 | V | B | 0.0000 | |
| 362 | S | B | 0.0000 | |
| 363 | L | B | 0.0000 | |
| 364 | T | B | 0.0000 | |
| 365 | C | B | 0.0000 | |
| 366 | L | B | 0.0000 | |
| 367 | V | B | 0.0000 | |
| 368 | K | B | -0.4408 | |
| 369 | G | B | 0.0000 | |
| 370 | F | B | 0.0000 | |
| 371 | Y | B | -1.0616 | |
| 372 | P | B | 0.0000 | |
| 373 | S | B | -0.2073 | |
| 374 | D | B | -1.2377 | |
| 375 | I | B | 0.0000 | |
| 376 | A | B | -0.6849 | |
| 377 | V | B | 0.0000 | |
| 378 | E | B | -1.1827 | |
| 379 | W | B | 0.0000 | |
| 380 | E | B | -1.9096 | |
| 381 | S | B | 0.0000 | |
| 382 | N | B | -1.9089 | |
| 383 | G | B | -1.7990 | |
| 384 | Q | B | -2.2865 | |
| 385 | P | B | -1.9188 | |
| 386 | E | B | -1.8144 | |
| 387 | N | B | -1.9967 | |
| 388 | N | B | -1.3037 | |
| 389 | Y | B | -0.8714 | |
| 390 | K | B | -0.7251 | |
| 391 | T | B | -0.3496 | |
| 392 | T | B | 0.0000 | |
| 393 | P | B | -0.0737 | |
| 394 | P | B | 0.1961 | |
| 395 | M | B | 0.6558 | |
| 396 | L | B | 0.9378 | |
| 397 | D | B | -0.3761 | |
| 398 | S | B | -1.0729 | |
| 399 | D | B | -1.9114 | |
| 400 | G | B | -0.9401 | |
| 401 | S | B | 0.0000 | |
| 402 | F | B | 0.2098 | |
| 403 | F | B | 0.0000 | |
| 404 | L | B | 0.0000 | |
| 405 | Y | B | 0.0000 | |
| 406 | S | B | 0.0000 | |
| 407 | K | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | T | B | -0.8558 | |
| 410 | V | B | 0.0000 | |
| 411 | D | B | -2.4930 | |
| 412 | K | B | -2.7267 | |
| 413 | S | B | -2.3885 | |
| 414 | R | B | -2.2264 | |
| 415 | W | B | 0.0000 | |
| 416 | Q | B | -2.6049 | |
| 417 | E | B | -2.7382 | |
| 418 | G | B | -1.5601 | |
| 419 | N | B | -1.1109 | |
| 420 | V | B | -0.1491 | |
| 421 | F | B | 0.0000 | |
| 422 | S | B | 0.0000 | |
| 423 | C | B | 0.0000 | |
| 424 | S | B | 0.0000 | |
| 425 | V | B | 0.0000 | |
| 426 | M | B | 0.0000 | |
| 427 | H | B | 0.0000 | |
| 428 | E | B | -0.9519 | |
| 429 | A | B | -1.2996 | |
| 430 | L | B | -1.0164 | |
| 431 | H | B | -1.0911 | |
| 432 | A | B | -0.1084 | |
| 433 | H | B | -0.3015 | |
| 434 | Y | B | 0.0868 | |
| 435 | T | B | -0.5527 | |
| 436 | Q | B | -1.3413 | |
| 437 | K | B | -1.1714 | |
| 438 | S | B | -0.6165 | |
| 439 | L | B | 0.0000 | |
| 440 | S | B | -0.3169 | |
| 441 | L | B | -0.4110 | |
| 442 | S | B | -0.3267 | |
| 443 | P | B | -0.4128 | |
| 1 | D | C | -2.2562 | |
| 2 | I | C | 0.0000 | |
| 3 | Q | C | -2.0241 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -1.2215 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.5991 | |
| 8 | P | C | -0.6947 | |
| 9 | S | C | -1.0172 | |
| 10 | S | C | -1.0962 | |
| 11 | L | C | -0.7744 | |
| 12 | S | C | -1.1349 | |
| 13 | A | C | -0.9347 | |
| 14 | S | C | -0.9314 | |
| 15 | V | C | -0.2881 | |
| 16 | G | C | -0.7988 | |
| 17 | D | C | -1.4475 | |
| 18 | S | C | -0.8713 | |
| 19 | V | C | 0.0000 | |
| 20 | T | C | -0.1862 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.7418 | |
| 23 | C | C | 0.0000 | |
| 24 | Q | C | -2.1917 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -1.6929 | |
| 27 | T | C | -1.7482 | |
| 28 | D | C | -2.3674 | |
| 29 | I | C | 0.0000 | |
| 30 | S | C | -1.0287 | |
| 31 | S | C | -0.6547 | |
| 32 | H | C | -0.7148 | |
| 33 | L | C | 0.0000 | |
| 34 | N | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Q | C | 0.0000 | |
| 38 | Q | C | -1.5177 | |
| 39 | K | C | -2.3567 | |
| 40 | P | C | -1.8155 | |
| 41 | G | C | -2.0220 | |
| 42 | K | C | -2.8207 | |
| 43 | A | C | -1.8881 | |
| 44 | P | C | 0.0000 | |
| 45 | E | C | -1.3374 | |
| 46 | L | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | Y | C | 0.4775 | |
| 50 | Y | C | 0.1644 | |
| 51 | G | C | 0.0000 | |
| 52 | S | C | -0.3103 | |
| 53 | H | C | -0.1670 | |
| 54 | L | C | 0.3479 | |
| 55 | L | C | 0.2357 | |
| 56 | S | C | -0.2155 | |
| 57 | G | C | -0.3780 | |
| 58 | V | C | -0.1559 | |
| 59 | P | C | -0.2624 | |
| 60 | S | C | -0.3876 | |
| 61 | R | C | -0.6621 | |
| 62 | F | C | 0.0000 | |
| 63 | S | C | -0.4041 | |
| 64 | G | C | -0.2926 | |
| 65 | S | C | -0.7572 | |
| 66 | G | C | -1.0697 | |
| 67 | S | C | -1.2700 | |
| 68 | G | C | -1.6363 | |
| 69 | T | C | -1.9499 | |
| 70 | D | C | -2.3811 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.7697 | |
| 73 | F | C | 0.0000 | |
| 74 | T | C | -0.3250 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -0.9769 | |
| 77 | S | C | -1.0013 | |
| 78 | L | C | 0.0000 | |
| 79 | E | C | -1.8801 | |
| 80 | A | C | -2.1801 | |
| 81 | E | C | -2.7565 | |
| 82 | D | C | 0.0000 | |
| 83 | A | C | 0.0000 | |
| 84 | A | C | 0.0000 | |
| 85 | T | C | -1.2516 | |
| 86 | Y | C | 0.0000 | |
| 87 | Y | C | 0.0000 | |
| 88 | C | C | 0.0000 | |
| 89 | G | C | 0.0000 | |
| 90 | Q | C | 0.0000 | |
| 91 | G | C | 0.0000 | |
| 92 | N | C | -1.2021 | |
| 93 | R | C | -1.5132 | |
| 94 | L | C | -0.4020 | |
| 95 | P | C | 0.0000 | |
| 96 | Y | C | 0.0000 | |
| 97 | T | C | -0.8424 | |
| 98 | F | C | -0.4284 | |
| 99 | G | C | 0.0000 | |
| 100 | Q | C | -1.9094 | |
| 101 | G | C | 0.0000 | |
| 102 | T | C | 0.0000 | |
| 103 | K | C | -2.1684 | |
| 104 | V | C | 0.0000 | |
| 105 | E | C | -1.5606 | |
| 106 | I | C | 0.0000 | |
| 107 | E | C | -1.4426 | |
| 108 | R | C | -0.9176 | |
| 109 | T | C | -0.1497 | |
| 110 | V | C | 0.3053 | |
| 111 | A | C | -0.0490 | |
| 112 | A | C | -0.1185 | |
| 113 | P | C | 0.0000 | |
| 114 | S | C | -0.2222 | |
| 115 | V | C | 0.0000 | |
| 116 | F | C | 0.0000 | |
| 117 | I | C | 0.0000 | |
| 118 | F | C | 0.0000 | |
| 119 | P | C | -0.2381 | |
| 120 | P | C | 0.0000 | |
| 121 | S | C | -1.0550 | |
| 122 | D | C | -1.7687 | |
| 123 | E | C | -2.4010 | |
| 124 | Q | C | 0.0000 | |
| 125 | L | C | -1.7641 | |
| 126 | K | C | -2.4660 | |
| 127 | S | C | -1.5571 | |
| 128 | G | C | -1.1865 | |
| 129 | T | C | -0.9399 | |
| 130 | A | C | 0.0000 | |
| 131 | S | C | 0.0000 | |
| 132 | V | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | C | C | 0.0000 | |
| 135 | L | C | 0.0000 | |
| 136 | L | C | 0.0000 | |
| 137 | N | C | 0.0000 | |
| 138 | N | C | -0.8825 | |
| 139 | F | C | 0.0000 | |
| 140 | Y | C | 0.0000 | |
| 141 | P | C | -1.6334 | |
| 142 | R | C | -2.7344 | |
| 143 | E | C | -3.0877 | |
| 144 | A | C | -2.2541 | |
| 145 | K | C | -2.4338 | |
| 146 | V | C | -1.0802 | |
| 147 | Q | C | -0.5692 | |
| 148 | W | C | 0.0000 | |
| 149 | K | C | -0.5131 | |
| 150 | V | C | 0.0000 | |
| 151 | D | C | -1.6067 | |
| 152 | N | C | -1.4112 | |
| 153 | A | C | -0.2443 | |
| 154 | L | C | 0.7295 | |
| 155 | Q | C | -0.0734 | |
| 156 | S | C | -0.4345 | |
| 157 | G | C | -0.8680 | |
| 158 | N | C | -0.7509 | |
| 159 | S | C | -0.9733 | |
| 160 | Q | C | -1.1373 | |
| 161 | E | C | -1.4118 | |
| 162 | S | C | -0.7795 | |
| 163 | V | C | -0.7185 | |
| 164 | T | C | 0.0000 | |
| 165 | E | C | -2.2915 | |
| 166 | Q | C | -2.1422 | |
| 167 | D | C | -2.0879 | |
| 168 | S | C | -2.6056 | |
| 169 | K | C | -2.7611 | |
| 170 | D | C | -1.8211 | |
| 171 | S | C | 0.0000 | |
| 172 | T | C | 0.0000 | |
| 173 | Y | C | 0.0000 | |
| 174 | S | C | 0.0000 | |
| 175 | L | C | 0.0000 | |
| 176 | S | C | 0.0000 | |
| 177 | S | C | 0.0000 | |
| 178 | T | C | -0.5186 | |
| 179 | L | C | 0.0000 | |
| 180 | T | C | -0.3880 | |
| 181 | L | C | -0.5825 | |
| 182 | S | C | -0.9617 | |
| 183 | K | C | -1.9644 | |
| 184 | A | C | -1.8032 | |
| 185 | D | C | -2.3854 | |
| 186 | Y | C | 0.0000 | |
| 187 | E | C | -3.3481 | |
| 188 | K | C | -3.4081 | |
| 189 | H | C | -2.4623 | |
| 190 | K | C | -2.0000 | |
| 191 | V | C | -0.8644 | |
| 192 | Y | C | 0.0000 | |
| 193 | A | C | 0.0000 | |
| 194 | C | C | 0.0000 | |
| 195 | E | C | -0.5378 | |
| 196 | V | C | 0.0000 | |
| 197 | T | C | -1.2219 | |
| 198 | H | C | 0.0000 | |
| 199 | Q | C | -1.7348 | |
| 200 | G | C | -0.4255 | |
| 201 | L | C | -0.2447 | |
| 202 | S | C | -0.4613 | |
| 203 | S | C | -0.4298 | |
| 204 | P | C | -0.5765 | |
| 205 | V | C | 0.1149 | |
| 206 | T | C | -0.3164 | |
| 207 | K | C | -0.4495 | |
| 208 | S | C | -0.3384 | |
| 209 | F | C | 0.0000 | |
| 210 | N | C | -0.7968 | |
| 211 | R | C | -1.3919 | |
| 212 | G | C | -0.8701 | |
| 213 | E | C | -0.7704 | |
| 214 | C | C | 0.0000 | |
| 1 | D | D | -2.2658 | |
| 2 | I | D | 0.0000 | |
| 3 | Q | D | -2.0223 | |
| 4 | M | D | 0.0000 | |
| 5 | T | D | -1.2417 | |
| 6 | Q | D | 0.0000 | |
| 7 | S | D | -0.6027 | |
| 8 | P | D | -0.6993 | |
| 9 | S | D | -1.0200 | |
| 10 | S | D | -1.0962 | |
| 11 | L | D | -0.7803 | |
| 12 | S | D | -1.1580 | |
| 13 | A | D | -0.8355 | |
| 14 | S | D | -0.7048 | |
| 15 | V | D | 0.2239 | |
| 16 | G | D | -0.5189 | |
| 17 | D | D | -1.2726 | |
| 18 | S | D | -0.8040 | |
| 19 | V | D | 0.0000 | |
| 20 | T | D | -0.1874 | |
| 21 | I | D | 0.0000 | |
| 22 | T | D | -0.7334 | |
| 23 | C | D | 0.0000 | |
| 24 | Q | D | -2.1978 | |
| 25 | A | D | 0.0000 | |
| 26 | S | D | -1.6950 | |
| 27 | T | D | -1.7490 | |
| 28 | D | D | -2.3773 | |
| 29 | I | D | 0.0000 | |
| 30 | S | D | -1.0479 | |
| 31 | S | D | -0.6893 | |
| 32 | H | D | -0.7449 | |
| 33 | L | D | 0.0000 | |
| 34 | N | D | 0.0000 | |
| 35 | W | D | 0.0000 | |
| 36 | Y | D | 0.0000 | |
| 37 | Q | D | -1.0826 | |
| 38 | Q | D | -1.3919 | |
| 39 | K | D | -1.8876 | |
| 40 | P | D | -1.5239 | |
| 41 | G | D | -1.8819 | |
| 42 | K | D | -2.6936 | |
| 43 | A | D | -1.8531 | |
| 44 | P | D | 0.0000 | |
| 45 | E | D | -1.5942 | |
| 46 | L | D | 0.0000 | |
| 47 | L | D | 0.0000 | |
| 48 | I | D | 0.0000 | |
| 49 | Y | D | 0.4403 | |
| 50 | Y | D | 0.1032 | |
| 51 | G | D | 0.0000 | |
| 52 | S | D | -0.3244 | |
| 53 | H | D | -0.1787 | |
| 54 | L | D | 0.3746 | |
| 55 | L | D | 0.2423 | |
| 56 | S | D | -0.2016 | |
| 57 | G | D | -0.3695 | |
| 58 | V | D | -0.1679 | |
| 59 | P | D | -0.2661 | |
| 60 | S | D | -0.3800 | |
| 61 | R | D | -0.6183 | |
| 62 | F | D | 0.0000 | |
| 63 | S | D | -0.3983 | |
| 64 | G | D | -0.2968 | |
| 65 | S | D | -0.7778 | |
| 66 | G | D | -1.0947 | |
| 67 | S | D | -1.2953 | |
| 68 | G | D | -1.6513 | |
| 69 | T | D | -1.9802 | |
| 70 | D | D | -2.4618 | |
| 71 | F | D | 0.0000 | |
| 72 | T | D | -0.7843 | |
| 73 | F | D | 0.0000 | |
| 74 | T | D | -0.3223 | |
| 75 | I | D | 0.0000 | |
| 76 | S | D | -0.9436 | |
| 77 | S | D | -0.8323 | |
| 78 | L | D | 0.0000 | |
| 79 | E | D | -1.4819 | |
| 80 | A | D | -1.9289 | |
| 81 | E | D | -2.5462 | |
| 82 | D | D | 0.0000 | |
| 83 | A | D | 0.0000 | |
| 84 | A | D | 0.0000 | |
| 85 | T | D | 0.0000 | |
| 86 | Y | D | 0.0000 | |
| 87 | Y | D | 0.0000 | |
| 88 | C | D | 0.0000 | |
| 89 | G | D | 0.0000 | |
| 90 | Q | D | 0.0000 | |
| 91 | G | D | 0.0000 | |
| 92 | N | D | -1.2420 | |
| 93 | R | D | -1.5586 | |
| 94 | L | D | -0.5045 | |
| 95 | P | D | -0.6033 | |
| 96 | Y | D | 0.0000 | |
| 97 | T | D | -0.8710 | |
| 98 | F | D | -0.4198 | |
| 99 | G | D | 0.0000 | |
| 100 | Q | D | -1.9353 | |
| 101 | G | D | 0.0000 | |
| 102 | T | D | 0.0000 | |
| 103 | K | D | -2.1323 | |
| 104 | V | D | 0.0000 | |
| 105 | E | D | -1.5749 | |
| 106 | I | D | 0.0000 | |
| 107 | E | D | -1.4354 | |
| 108 | R | D | -0.8963 | |
| 109 | T | D | -0.1646 | |
| 110 | V | D | 0.3162 | |
| 111 | A | D | -0.0382 | |
| 112 | A | D | -0.1063 | |
| 113 | P | D | 0.0000 | |
| 114 | S | D | -0.2134 | |
| 115 | V | D | 0.0000 | |
| 116 | F | D | 0.0000 | |
| 117 | I | D | 0.0000 | |
| 118 | F | D | 0.0000 | |
| 119 | P | D | -0.2733 | |
| 120 | P | D | 0.0000 | |
| 121 | S | D | 0.0000 | |
| 122 | D | D | -1.7437 | |
| 123 | E | D | -2.6591 | |
| 124 | Q | D | 0.0000 | |
| 125 | L | D | -1.8012 | |
| 126 | K | D | -2.5433 | |
| 127 | S | D | -1.6210 | |
| 128 | G | D | -1.2481 | |
| 129 | T | D | -0.9685 | |
| 130 | A | D | 0.0000 | |
| 131 | S | D | 0.0000 | |
| 132 | V | D | 0.0000 | |
| 133 | V | D | 0.0000 | |
| 134 | C | D | 0.0000 | |
| 135 | L | D | 0.0000 | |
| 136 | L | D | 0.0000 | |
| 137 | N | D | 0.0000 | |
| 138 | N | D | -0.8435 | |
| 139 | F | D | 0.0000 | |
| 140 | Y | D | 0.0000 | |
| 141 | P | D | -1.6505 | |
| 142 | R | D | -2.7578 | |
| 143 | E | D | -3.1125 | |
| 144 | A | D | -2.2533 | |
| 145 | K | D | -2.4786 | |
| 146 | V | D | -1.2317 | |
| 147 | Q | D | -0.7414 | |
| 148 | W | D | 0.0000 | |
| 149 | K | D | -0.5898 | |
| 150 | V | D | 0.0000 | |
| 151 | D | D | -1.6262 | |
| 152 | N | D | -1.4207 | |
| 153 | A | D | -0.2551 | |
| 154 | L | D | 0.6877 | |
| 155 | Q | D | -0.0975 | |
| 156 | S | D | -0.4550 | |
| 157 | G | D | -0.8690 | |
| 158 | N | D | -0.7527 | |
| 159 | S | D | -1.1074 | |
| 160 | Q | D | -1.3995 | |
| 161 | E | D | -1.8911 | |
| 162 | S | D | -0.9884 | |
| 163 | V | D | -0.7502 | |
| 164 | T | D | -1.1058 | |
| 165 | E | D | -2.2297 | |
| 166 | Q | D | 0.0000 | |
| 167 | D | D | -2.0007 | |
| 168 | S | D | -2.3731 | |
| 169 | K | D | -2.6618 | |
| 170 | D | D | -1.7691 | |
| 171 | S | D | 0.0000 | |
| 172 | T | D | 0.0000 | |
| 173 | Y | D | 0.0000 | |
| 174 | S | D | 0.0000 | |
| 175 | L | D | 0.0000 | |
| 176 | S | D | 0.0000 | |
| 177 | S | D | 0.0000 | |
| 178 | T | D | -0.6478 | |
| 179 | L | D | 0.0000 | |
| 180 | T | D | -0.3766 | |
| 181 | L | D | -0.5222 | |
| 182 | S | D | -0.8862 | |
| 183 | K | D | -1.8495 | |
| 184 | A | D | -1.6599 | |
| 185 | D | D | -2.1853 | |
| 186 | Y | D | 0.0000 | |
| 187 | E | D | -3.0407 | |
| 188 | K | D | -3.2257 | |
| 189 | H | D | -2.3164 | |
| 190 | K | D | -1.8856 | |
| 191 | V | D | -0.8510 | |
| 192 | Y | D | 0.0000 | |
| 193 | A | D | 0.0000 | |
| 194 | C | D | 0.0000 | |
| 195 | E | D | -0.6725 | |
| 196 | V | D | 0.0000 | |
| 197 | T | D | -1.2500 | |
| 198 | H | D | 0.0000 | |
| 199 | Q | D | -1.7321 | |
| 200 | G | D | -0.4155 | |
| 201 | L | D | -0.2304 | |
| 202 | S | D | -0.4518 | |
| 203 | S | D | -0.4108 | |
| 204 | P | D | -0.5621 | |
| 205 | V | D | 0.1155 | |
| 206 | T | D | -0.3100 | |
| 207 | K | D | -0.4719 | |
| 208 | S | D | -0.3980 | |
| 209 | F | D | 0.0000 | |
| 210 | N | D | 0.0000 | |
| 211 | R | D | -1.2244 | |
| 212 | G | D | -0.7192 | |
| 213 | E | D | -0.5980 | |
| 214 | C | D | -0.2548 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.5846 | 5.4168 | View | CSV | PDB |
| 4.5 | -0.6366 | 5.4168 | View | CSV | PDB |
| 5.0 | -0.7004 | 5.4168 | View | CSV | PDB |
| 5.5 | -0.7633 | 5.4168 | View | CSV | PDB |
| 6.0 | -0.8123 | 5.4168 | View | CSV | PDB |
| 6.5 | -0.8379 | 5.4168 | View | CSV | PDB |
| 7.0 | -0.839 | 5.4168 | View | CSV | PDB |
| 7.5 | -0.8229 | 5.4168 | View | CSV | PDB |
| 8.0 | -0.7974 | 5.4168 | View | CSV | PDB |
| 8.5 | -0.7659 | 5.4168 | View | CSV | PDB |
| 9.0 | -0.7288 | 5.4168 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine