| Chain sequence(s) | GADGVGNSSGNWHCDSTWMGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLSRTNTPSGTTTQSRLQFSQAGASDIRDQSRNWLPGPCYRQQRVSKTSADNNNSEYSWTGATKYHLNGRDSLVNPGPAMASHKDDEEKFFPQSGVLIFGKQGSEKTNVDIEKVMITDEEEIRTTNPVATEQYGSVSTNLQRGNRQAATADVNTQGVLPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPSTTFSAAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNL input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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 A 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:02)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5add818cfbc8ac/tmp/folded.pdb (00:02:02)
[INFO] Main: Simulation completed successfully. (00:04:02)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 15 | G | A | -0.9611 | |
| 16 | A | A | -0.7968 | |
| 17 | D | A | -1.6531 | |
| 18 | G | A | -0.7586 | |
| 19 | V | A | 0.8144 | |
| 20 | G | A | -0.6100 | |
| 21 | N | A | -1.5849 | |
| 22 | S | A | -1.3703 | |
| 23 | S | A | -1.3615 | |
| 24 | G | A | -1.2773 | |
| 25 | N | A | -1.2115 | |
| 26 | W | A | -0.3390 | |
| 27 | H | A | -1.2710 | |
| 28 | C | A | -1.0311 | |
| 29 | D | A | -1.8987 | |
| 30 | S | A | -0.9124 | |
| 31 | T | A | -0.1839 | |
| 32 | W | A | -0.2390 | |
| 33 | M | A | 0.0665 | |
| 34 | G | A | -1.1285 | |
| 35 | D | A | -2.2335 | |
| 36 | R | A | -1.2363 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.3047 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.4778 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.7648 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0929 | |
| 49 | T | A | -0.3002 | |
| 50 | Y | A | -0.3524 | |
| 51 | N | A | -0.9775 | |
| 52 | N | A | -1.2074 | |
| 53 | H | A | -0.5296 | |
| 54 | L | A | -0.3254 | |
| 55 | Y | A | -0.5449 | |
| 56 | K | A | -1.6088 | |
| 57 | Q | A | -1.0751 | |
| 58 | I | A | -0.3025 | |
| 59 | S | A | -0.4469 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5493 | |
| 62 | S | A | -1.1089 | |
| 63 | G | A | -1.2708 | |
| 64 | A | A | -1.5608 | |
| 65 | S | A | -1.8948 | |
| 66 | N | A | -2.6888 | |
| 67 | D | A | -2.5786 | |
| 68 | N | A | -2.4701 | |
| 69 | H | A | -2.0728 | |
| 70 | Y | A | -0.3783 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | 0.1663 | |
| 74 | S | A | -0.4044 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | W | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | N | A | 0.0000 | |
| 84 | R | A | -0.7759 | |
| 85 | F | A | 0.0000 | |
| 86 | H | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | H | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | S | A | -1.1539 | |
| 91 | P | A | -1.3762 | |
| 92 | R | A | -2.5446 | |
| 93 | D | A | -2.0579 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -2.0917 | |
| 96 | R | A | -2.5204 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | -1.1371 | |
| 100 | N | A | -2.1844 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | -1.1104 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.9616 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -2.0633 | |
| 108 | R | A | -2.4741 | |
| 109 | L | A | 0.0000 | |
| 110 | N | A | -1.3563 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.1578 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.3167 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.0773 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.4829 | |
| 120 | E | A | -0.1250 | |
| 121 | V | A | 0.0306 | |
| 122 | T | A | -0.6108 | |
| 123 | Q | A | -2.2162 | |
| 124 | N | A | -2.9042 | |
| 125 | D | A | -2.9268 | |
| 126 | G | A | -2.0747 | |
| 127 | T | A | -1.6928 | |
| 128 | T | A | -0.9383 | |
| 129 | T | A | -0.0852 | |
| 130 | I | A | 0.6836 | |
| 131 | A | A | -0.1094 | |
| 132 | N | A | -1.1446 | |
| 133 | N | A | -0.7469 | |
| 134 | L | A | 0.2466 | |
| 135 | T | A | -0.2774 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.4351 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.4075 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.2820 | |
| 145 | E | A | -2.2096 | |
| 146 | Y | A | -1.2758 | |
| 147 | Q | A | -1.3150 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.4330 | |
| 150 | Y | A | 0.0866 | |
| 151 | V | A | 0.3305 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.3881 | |
| 154 | S | A | -0.5323 | |
| 155 | A | A | -0.7333 | |
| 156 | H | A | -1.3546 | |
| 157 | Q | A | -1.6622 | |
| 158 | G | A | -0.6697 | |
| 159 | C | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | -0.0809 | |
| 162 | P | A | -0.2626 | |
| 163 | F | A | 0.3427 | |
| 164 | P | A | -0.0644 | |
| 165 | A | A | -0.2200 | |
| 166 | D | A | -0.5201 | |
| 167 | V | A | 1.3302 | |
| 168 | F | A | 1.1304 | |
| 169 | M | A | 1.4213 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.2373 | |
| 172 | Q | A | -0.3486 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | -0.0324 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 1.8936 | |
| 177 | T | A | 1.0868 | |
| 178 | L | A | 0.0075 | |
| 179 | N | A | -0.8102 | |
| 180 | N | A | -1.8746 | |
| 181 | G | A | -1.8643 | |
| 182 | S | A | -1.5407 | |
| 183 | Q | A | -1.4723 | |
| 184 | A | A | -1.1498 | |
| 185 | V | A | -0.9194 | |
| 186 | G | A | -1.1189 | |
| 187 | R | A | -1.6956 | |
| 188 | S | A | -0.3732 | |
| 189 | S | A | 0.6303 | |
| 190 | F | A | 1.7332 | |
| 191 | Y | A | 1.2299 | |
| 192 | C | A | 0.9418 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.1422 | |
| 195 | Y | A | 1.0502 | |
| 196 | F | A | 0.3993 | |
| 197 | P | A | -0.2080 | |
| 198 | S | A | -0.4859 | |
| 199 | Q | A | -1.1184 | |
| 200 | M | A | -0.1367 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.5769 | |
| 203 | T | A | -1.2505 | |
| 204 | G | A | -1.4535 | |
| 205 | N | A | -1.9523 | |
| 206 | N | A | -1.5275 | |
| 207 | F | A | 0.0000 | |
| 208 | T | A | -0.5705 | |
| 209 | F | A | -0.1631 | |
| 210 | S | A | -0.7912 | |
| 211 | Y | A | -0.8126 | |
| 212 | T | A | -1.5646 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.1654 | |
| 215 | D | A | -2.1830 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.5061 | |
| 218 | F | A | -0.1553 | |
| 219 | H | A | -0.1751 | |
| 220 | S | A | -0.1422 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | -0.4105 | |
| 223 | A | A | -0.4482 | |
| 224 | H | A | -0.8928 | |
| 225 | S | A | -0.9878 | |
| 226 | Q | A | -1.3335 | |
| 227 | S | A | -1.4621 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -2.9387 | |
| 230 | R | A | -2.8426 | |
| 231 | L | A | -1.3096 | |
| 232 | M | A | -0.7946 | |
| 233 | N | A | -0.5722 | |
| 234 | P | A | 0.1467 | |
| 235 | L | A | 1.6902 | |
| 236 | I | A | 1.6517 | |
| 237 | D | A | -0.5396 | |
| 238 | Q | A | 0.3428 | |
| 239 | Y | A | 1.4441 | |
| 240 | L | A | 1.6357 | |
| 241 | Y | A | 2.2904 | |
| 242 | Y | A | 1.3531 | |
| 243 | L | A | 1.4123 | |
| 244 | S | A | 0.1172 | |
| 245 | R | A | -1.7149 | |
| 246 | T | A | -1.3756 | |
| 247 | N | A | -2.3908 | |
| 248 | T | A | -1.6710 | |
| 249 | P | A | -1.0466 | |
| 250 | S | A | -0.7854 | |
| 251 | G | A | -0.6946 | |
| 252 | T | A | -0.4111 | |
| 253 | T | A | -0.4889 | |
| 254 | T | A | -1.1305 | |
| 255 | Q | A | -1.4475 | |
| 256 | S | A | -1.8974 | |
| 257 | R | A | -2.3671 | |
| 258 | L | A | -0.1127 | |
| 259 | Q | A | -0.1945 | |
| 260 | F | A | 2.0733 | |
| 261 | S | A | 0.7824 | |
| 262 | Q | A | 0.3467 | |
| 263 | A | A | 0.0000 | |
| 264 | G | A | -0.5853 | |
| 265 | A | A | -0.2526 | |
| 266 | S | A | -0.7953 | |
| 267 | D | A | -1.2587 | |
| 268 | I | A | -1.7242 | |
| 269 | R | A | -2.6724 | |
| 270 | D | A | -1.2201 | |
| 271 | Q | A | 0.0000 | |
| 272 | S | A | -0.6673 | |
| 273 | R | A | -1.5690 | |
| 274 | N | A | -1.3041 | |
| 275 | W | A | -0.0612 | |
| 276 | L | A | 0.6344 | |
| 277 | P | A | 0.4662 | |
| 278 | G | A | 0.0000 | |
| 279 | P | A | 0.3748 | |
| 280 | C | A | 0.0000 | |
| 281 | Y | A | -0.5599 | |
| 282 | R | A | -1.3127 | |
| 283 | Q | A | 0.0000 | |
| 284 | Q | A | -1.4839 | |
| 285 | R | A | -1.7567 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | K | A | -1.8168 | |
| 289 | T | A | -1.1515 | |
| 290 | S | A | -1.2249 | |
| 291 | A | A | -1.3746 | |
| 292 | D | A | -2.2989 | |
| 293 | N | A | -2.3983 | |
| 294 | N | A | -2.7160 | |
| 295 | N | A | -2.6167 | |
| 296 | S | A | -2.1103 | |
| 297 | E | A | -2.2526 | |
| 298 | Y | A | -1.1405 | |
| 299 | S | A | -0.5393 | |
| 300 | W | A | 0.1891 | |
| 301 | T | A | -0.2151 | |
| 302 | G | A | -0.5956 | |
| 303 | A | A | -0.1923 | |
| 304 | T | A | -0.1503 | |
| 305 | K | A | 0.1772 | |
| 306 | Y | A | 0.7940 | |
| 307 | H | A | -0.7983 | |
| 308 | L | A | -0.4995 | |
| 309 | N | A | -1.7402 | |
| 310 | G | A | -1.7398 | |
| 311 | R | A | -2.1005 | |
| 312 | D | A | -1.4420 | |
| 313 | S | A | -0.3057 | |
| 314 | L | A | 0.4052 | |
| 315 | V | A | 0.0000 | |
| 316 | N | A | -0.6930 | |
| 317 | P | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | P | A | -0.0243 | |
| 320 | A | A | 0.0553 | |
| 321 | M | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | H | A | 0.0000 | |
| 325 | K | A | -2.8217 | |
| 326 | D | A | -3.6902 | |
| 327 | D | A | -3.7077 | |
| 328 | E | A | -3.3317 | |
| 329 | E | A | -3.8070 | |
| 330 | K | A | -2.6637 | |
| 331 | F | A | -2.1291 | |
| 332 | F | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | Q | A | -0.8858 | |
| 335 | S | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | L | A | 0.5855 | |
| 339 | I | A | 1.3156 | |
| 340 | F | A | 0.2076 | |
| 341 | G | A | -1.6792 | |
| 342 | K | A | -2.5476 | |
| 343 | Q | A | -2.2478 | |
| 344 | G | A | -2.0947 | |
| 345 | S | A | -2.8890 | |
| 346 | E | A | -3.5627 | |
| 347 | K | A | -2.9211 | |
| 348 | T | A | -2.1072 | |
| 349 | N | A | -2.1549 | |
| 350 | V | A | -2.1975 | |
| 351 | D | A | -2.3706 | |
| 352 | I | A | -1.1143 | |
| 353 | E | A | -2.4072 | |
| 354 | K | A | -2.7687 | |
| 355 | V | A | -1.1170 | |
| 356 | M | A | 0.0000 | |
| 357 | I | A | 0.3804 | |
| 358 | T | A | 0.0000 | |
| 359 | D | A | -1.2744 | |
| 360 | E | A | 0.0000 | |
| 361 | E | A | -2.3137 | |
| 362 | E | A | -1.4199 | |
| 363 | I | A | 0.0000 | |
| 364 | R | A | -1.2611 | |
| 365 | T | A | -1.0036 | |
| 366 | T | A | 0.0000 | |
| 367 | N | A | 0.0000 | |
| 368 | P | A | -0.4214 | |
| 369 | V | A | -0.6552 | |
| 370 | A | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -1.8376 | |
| 373 | Q | A | -1.9248 | |
| 374 | Y | A | -0.8671 | |
| 375 | G | A | -0.7449 | |
| 376 | S | A | -0.3239 | |
| 377 | V | A | 1.0338 | |
| 378 | S | A | 0.2345 | |
| 379 | T | A | -0.1549 | |
| 380 | N | A | -0.8220 | |
| 381 | L | A | -0.3136 | |
| 382 | Q | A | -2.7308 | |
| 383 | R | A | -3.3176 | |
| 384 | G | A | -2.8078 | |
| 385 | N | A | -3.3018 | |
| 386 | R | A | -3.9226 | |
| 387 | Q | A | -3.0605 | |
| 388 | A | A | -1.5692 | |
| 389 | A | A | -0.5717 | |
| 390 | T | A | -0.1436 | |
| 391 | A | A | -0.6806 | |
| 392 | D | A | -1.8822 | |
| 393 | V | A | -1.0954 | |
| 394 | N | A | -1.6310 | |
| 395 | T | A | -0.9189 | |
| 396 | Q | A | -0.3156 | |
| 397 | G | A | 0.1007 | |
| 398 | V | A | 1.2911 | |
| 399 | L | A | 0.9526 | |
| 400 | P | A | 0.3528 | |
| 401 | G | A | 0.0564 | |
| 402 | M | A | 0.0000 | |
| 403 | V | A | 1.1022 | |
| 404 | W | A | 0.3791 | |
| 405 | Q | A | -0.3474 | |
| 406 | D | A | -0.5361 | |
| 407 | R | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | Y | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | Q | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | P | A | -0.3868 | |
| 415 | I | A | 0.0000 | |
| 416 | W | A | 0.0000 | |
| 417 | A | A | -0.4810 | |
| 418 | K | A | -1.2439 | |
| 419 | I | A | 0.0000 | |
| 420 | P | A | -1.4572 | |
| 421 | H | A | -1.9440 | |
| 422 | T | A | -1.7251 | |
| 423 | D | A | -2.3778 | |
| 424 | G | A | -1.3554 | |
| 425 | H | A | -0.5333 | |
| 426 | F | A | 1.3383 | |
| 427 | H | A | 0.0127 | |
| 428 | P | A | -0.1257 | |
| 429 | S | A | -0.0361 | |
| 430 | P | A | 0.2200 | |
| 431 | L | A | 0.9135 | |
| 432 | M | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | G | A | -0.0736 | |
| 435 | F | A | 0.0000 | |
| 436 | G | A | -0.7499 | |
| 437 | L | A | 0.0000 | |
| 438 | K | A | -2.2990 | |
| 439 | H | A | -2.0885 | |
| 440 | P | A | 0.0000 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | Q | A | 0.0000 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | K | A | 0.0000 | |
| 448 | N | A | 0.0000 | |
| 449 | T | A | 0.1612 | |
| 450 | P | A | 0.1689 | |
| 451 | V | A | 0.4659 | |
| 452 | P | A | 0.2655 | |
| 453 | A | A | -0.1560 | |
| 454 | N | A | -1.3134 | |
| 455 | P | A | -0.5503 | |
| 456 | S | A | -0.2885 | |
| 457 | T | A | 0.0085 | |
| 458 | T | A | 0.6768 | |
| 459 | F | A | 1.7300 | |
| 460 | S | A | 0.5864 | |
| 461 | A | A | 0.1866 | |
| 462 | A | A | -0.2001 | |
| 463 | K | A | -1.0233 | |
| 464 | F | A | 0.5524 | |
| 465 | A | A | 0.1544 | |
| 466 | S | A | -0.0577 | |
| 467 | F | A | 0.4732 | |
| 468 | I | A | 0.6836 | |
| 469 | T | A | 0.1878 | |
| 470 | Q | A | 0.0000 | |
| 471 | Y | A | 0.4015 | |
| 472 | S | A | 0.0000 | |
| 473 | T | A | 0.1342 | |
| 474 | G | A | 0.0000 | |
| 475 | Q | A | -0.3178 | |
| 476 | V | A | 0.0000 | |
| 477 | S | A | -0.7304 | |
| 478 | V | A | 0.0000 | |
| 479 | E | A | -1.3877 | |
| 480 | I | A | 0.0000 | |
| 481 | E | A | 0.0000 | |
| 482 | W | A | 0.0000 | |
| 483 | E | A | -1.3761 | |
| 484 | L | A | 0.0000 | |
| 485 | Q | A | -2.1646 | |
| 486 | K | A | -3.0349 | |
| 487 | E | A | -2.6296 | |
| 488 | N | A | -2.7593 | |
| 489 | S | A | -2.2997 | |
| 490 | K | A | -2.4812 | |
| 491 | R | A | -1.9926 | |
| 492 | W | A | -0.3791 | |
| 493 | N | A | -1.3624 | |
| 494 | P | A | -0.5802 | |
| 495 | E | A | 0.0860 | |
| 496 | I | A | 1.5944 | |
| 497 | Q | A | 0.2129 | |
| 498 | Y | A | -0.1617 | |
| 499 | T | A | -0.3933 | |
| 500 | S | A | -0.8334 | |
| 501 | N | A | -1.3077 | |
| 502 | Y | A | -0.3821 | |
| 503 | N | A | -1.9302 | |
| 504 | K | A | -1.8770 | |
| 505 | S | A | -0.5431 | |
| 506 | V | A | 0.9500 | |
| 507 | N | A | -0.0162 | |
| 508 | V | A | 0.8085 | |
| 509 | D | A | -0.1741 | |
| 510 | F | A | -0.1114 | |
| 511 | T | A | 0.5140 | |
| 512 | V | A | 0.5252 | |
| 513 | D | A | -0.3949 | |
| 514 | T | A | -0.9435 | |
| 515 | N | A | -1.2959 | |
| 516 | G | A | -0.7371 | |
| 517 | V | A | 0.0011 | |
| 518 | Y | A | 0.0649 | |
| 519 | S | A | -0.3570 | |
| 520 | E | A | -0.8554 | |
| 521 | P | A | -0.8370 | |
| 522 | R | A | -0.8375 | |
| 523 | P | A | -0.3597 | |
| 524 | I | A | 0.0000 | |
| 525 | G | A | -0.2132 | |
| 526 | T | A | 0.0000 | |
| 527 | R | A | 0.0000 | |
| 528 | Y | A | 0.4577 | |
| 529 | L | A | 0.0000 | |
| 530 | T | A | -0.5891 | |
| 531 | R | A | -1.8553 | |
| 532 | N | A | -1.3870 | |
| 533 | L | A | 0.0257 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.3468 | 4.1779 | View | CSV | PDB |
| 4.5 | -0.3943 | 4.0186 | View | CSV | PDB |
| 5.0 | -0.4493 | 4.0186 | View | CSV | PDB |
| 5.5 | -0.5038 | 4.0186 | View | CSV | PDB |
| 6.0 | -0.5497 | 4.0186 | View | CSV | PDB |
| 6.5 | -0.5821 | 4.0186 | View | CSV | PDB |
| 7.0 | -0.6016 | 4.0186 | View | CSV | PDB |
| 7.5 | -0.6131 | 4.0186 | View | CSV | PDB |
| 8.0 | -0.6196 | 4.0186 | View | CSV | PDB |
| 8.5 | -0.6199 | 4.0186 | View | CSV | PDB |
| 9.0 | -0.6116 | 4.0186 | 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