| Chain sequence(s) |
A: NECQIQKLNALKPDNRIESEGGLIETWNPNNKPFQCAGVALSRCTLNRNALRRPSYTNGPQEIYIQQGKGIFGMIYPGCPSTRHQKIYNFREGDLIAVPTGVAWWMYNNEDTPVVAVSIIDTNSLENQLDQMPRRFYLAGNQEQEFLKYQQGGSILSGFTLEFLEHAFSVDKQIAKNLQGEKGAIVTVKGGLSVIKPICTMRLRHNIGQTSSPDIYNPQAGSVTTATSLDFPALSWLRLSAEFGSLRKNAMFVPHYNLNANSIIYALNGRALIQVVNCNGERVFDGELQEGRVLIVPQNFVVAARSQSDNFEYVSFKTNDTPMIGTLAGANSLLNALPEEVIQHTFNLKSQQARQIKNNNPFKFLVPPQES
B: NECQIQKLNALKPDNRIESEGGLIETWNPNNKPFQCAGVALSRCTLNRNALRRPSYTNGPQEIYIQQGKGIFGMIYPGCPSTRHQKIYNFREGDLIAVPTGVAWWMYNNEDTPVVAVSIIDTNSLENQLDQMPRRFYLAGNQEQEFLKYQQGGSILSGFTLEFLEHAFSVDKQIAKNLQGEKGAIVTVKGGLSVIKPICTMRLRHNIGQTSSPDIYNPQAGSVTTATSLDFPALSWLRLSAEFGSLRKNAMFVPHYNLNANSIIYALNGRALIQVVNCNGERVFDGELQEGRVLIVPQNFVVAARSQSDNFEYVSFKTNDTPMIGTLAGANSLLNALPEEVIQHTFNLKSQQARQIKNNNPFKFLVPPQES input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | CE298A,IE297A,IE246A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 6.06037 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:03:51)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:19)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/66ee56e711d1e81/tmp/folded.pdb (00:04:19)
[INFO] Main: Simulation completed successfully. (00:08:30)
|
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 |
|---|---|---|---|---|
| 10 | N | A | -2.5566 | |
| 11 | E | A | -3.1610 | |
| 12 | C | A | -2.1463 | |
| 13 | Q | A | -2.6450 | |
| 14 | I | A | 0.0000 | |
| 15 | Q | A | -2.8348 | |
| 16 | K | A | -3.4768 | |
| 17 | L | A | 0.0000 | |
| 18 | N | A | -2.2958 | |
| 19 | A | A | -1.4955 | |
| 20 | L | A | -1.5483 | |
| 21 | K | A | -2.5561 | |
| 22 | P | A | -1.9000 | |
| 23 | D | A | -1.8629 | |
| 24 | N | A | -2.0037 | |
| 25 | R | A | -2.3659 | |
| 26 | I | A | -1.5561 | |
| 27 | E | A | -2.4803 | |
| 28 | S | A | -1.9692 | |
| 29 | E | A | -2.0572 | |
| 30 | G | A | 0.0000 | |
| 31 | G | A | -1.3565 | |
| 32 | L | A | -1.1397 | |
| 33 | I | A | 0.0000 | |
| 34 | E | A | 0.0000 | |
| 35 | T | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | N | A | -1.7424 | |
| 38 | P | A | 0.0000 | |
| 39 | N | A | -2.3365 | |
| 40 | N | A | -2.2854 | |
| 41 | K | A | -2.9841 | |
| 42 | P | A | 0.0000 | |
| 43 | F | A | 0.0000 | |
| 44 | Q | A | -2.4332 | |
| 45 | C | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | G | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | S | A | -0.1883 | |
| 52 | R | A | -0.3874 | |
| 53 | C | A | -0.0899 | |
| 54 | T | A | -0.4078 | |
| 55 | L | A | 0.0000 | |
| 56 | N | A | -2.8849 | |
| 57 | R | A | -4.1597 | |
| 58 | N | A | 0.0000 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | R | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | Y | A | 0.0000 | |
| 66 | T | A | 0.0000 | |
| 67 | N | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | P | A | 0.0000 | |
| 70 | Q | A | 0.0000 | |
| 71 | E | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | Y | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | Q | A | -0.8913 | |
| 76 | Q | A | -1.0547 | |
| 77 | G | A | 0.0000 | |
| 78 | K | A | -2.6721 | |
| 79 | G | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | M | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | Y | A | 0.0000 | |
| 86 | P | A | -0.4586 | |
| 87 | G | A | -0.9359 | |
| 88 | C | A | -1.2361 | |
| 89 | P | A | -1.2727 | |
| 90 | S | A | -1.4794 | |
| 91 | T | A | -1.3075 | |
| 110 | R | A | -2.0960 | |
| 111 | H | A | -1.6630 | |
| 112 | Q | A | -1.6960 | |
| 113 | K | A | -1.9895 | |
| 114 | I | A | 0.0000 | |
| 115 | Y | A | -0.9517 | |
| 116 | N | A | -1.2564 | |
| 117 | F | A | 0.0000 | |
| 118 | R | A | -1.5470 | |
| 119 | E | A | -1.4020 | |
| 120 | G | A | 0.0000 | |
| 121 | D | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | I | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | P | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | G | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | W | A | 0.0000 | |
| 132 | W | A | 0.0000 | |
| 133 | M | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | N | A | 0.0000 | |
| 136 | N | A | -3.6209 | |
| 137 | E | A | -4.3735 | |
| 138 | D | A | -3.9504 | |
| 139 | T | A | -2.5581 | |
| 140 | P | A | -2.3561 | |
| 141 | V | A | 0.0000 | |
| 142 | V | A | -0.4360 | |
| 143 | A | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | I | A | 0.0000 | |
| 148 | D | A | -0.7931 | |
| 149 | T | A | 0.0000 | |
| 150 | N | A | -1.4435 | |
| 151 | S | A | -0.5471 | |
| 152 | L | A | 0.8733 | |
| 153 | E | A | -0.3202 | |
| 154 | N | A | -0.5581 | |
| 155 | Q | A | -0.5872 | |
| 156 | L | A | -1.0684 | |
| 157 | D | A | -1.7785 | |
| 158 | Q | A | -2.3247 | |
| 159 | M | A | 0.0000 | |
| 160 | P | A | 0.0000 | |
| 161 | R | A | 0.0000 | |
| 162 | R | A | 0.0000 | |
| 163 | F | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | A | A | 0.0000 | |
| 167 | G | A | -1.8513 | |
| 168 | N | A | -2.5577 | |
| 169 | Q | A | -2.1449 | |
| 170 | E | A | -2.3377 | |
| 171 | Q | A | 0.0000 | |
| 172 | E | A | 0.0000 | |
| 173 | F | A | 0.0000 | |
| 174 | L | A | -0.9299 | |
| 175 | K | A | -1.4491 | |
| 176 | Y | A | 0.0000 | |
| 177 | Q | A | -1.1800 | |
| 178 | Q | A | -1.4975 | |
| 198 | G | A | -1.8908 | |
| 199 | G | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | S | A | -1.2891 | |
| 204 | G | A | 0.0000 | |
| 205 | F | A | 0.0000 | |
| 206 | T | A | -0.9619 | |
| 207 | L | A | -1.5559 | |
| 208 | E | A | -2.3720 | |
| 209 | F | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | E | A | -2.1522 | |
| 212 | H | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | F | A | 0.0000 | |
| 215 | S | A | -1.4233 | |
| 216 | V | A | 0.0000 | |
| 217 | D | A | -3.2275 | |
| 218 | K | A | -3.3653 | |
| 219 | Q | A | -2.7808 | |
| 220 | I | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | K | A | -2.8752 | |
| 223 | N | A | -2.1911 | |
| 224 | L | A | 0.0000 | |
| 225 | Q | A | -1.6335 | |
| 226 | G | A | -2.0009 | |
| 227 | E | A | -2.6820 | |
| 233 | K | A | -2.5124 | |
| 234 | G | A | -1.9530 | |
| 235 | A | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | T | A | -1.6300 | |
| 239 | V | A | 0.0000 | |
| 240 | K | A | -2.1847 | |
| 241 | G | A | -1.3615 | |
| 242 | G | A | -1.4322 | |
| 243 | L | A | 0.0000 | |
| 244 | S | A | -0.9946 | |
| 245 | V | A | -1.2921 | |
| 246 | E | A | -2.6816 | mutated: IE246A |
| 247 | K | A | -2.7772 | |
| 248 | P | A | -1.5791 | |
| 297 | E | A | -2.2575 | mutated: IE297A |
| 298 | E | A | -2.4501 | mutated: CE298A |
| 299 | T | A | -1.6057 | |
| 300 | M | A | -1.5585 | |
| 301 | R | A | -1.7765 | |
| 302 | L | A | 0.0000 | |
| 303 | R | A | -0.9501 | |
| 304 | H | A | -0.9150 | |
| 305 | N | A | -0.7757 | |
| 306 | I | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | Q | A | -1.4477 | |
| 309 | T | A | -0.9531 | |
| 310 | S | A | -0.9694 | |
| 311 | S | A | -0.7696 | |
| 312 | P | A | -0.9067 | |
| 313 | D | A | -1.4819 | |
| 314 | I | A | -0.2679 | |
| 315 | Y | A | 0.5398 | |
| 316 | N | A | 0.0000 | |
| 317 | P | A | -0.5391 | |
| 318 | Q | A | -1.3297 | |
| 319 | A | A | 0.0000 | |
| 320 | G | A | -0.7984 | |
| 321 | S | A | -0.2672 | |
| 322 | V | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | -0.6279 | |
| 325 | A | A | 0.0000 | |
| 326 | T | A | -0.2312 | |
| 327 | S | A | -0.1012 | |
| 328 | L | A | 0.7314 | |
| 329 | D | A | -0.7712 | |
| 330 | F | A | 0.0000 | |
| 331 | P | A | -0.3969 | |
| 332 | A | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | S | A | -0.2924 | |
| 335 | W | A | -0.2289 | |
| 336 | L | A | 0.0000 | |
| 337 | R | A | -1.3824 | |
| 338 | L | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | E | A | 0.0000 | |
| 342 | F | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | S | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | R | A | -3.2154 | |
| 347 | K | A | -3.7921 | |
| 348 | N | A | -2.8808 | |
| 349 | A | A | 0.0000 | |
| 350 | M | A | -0.6475 | |
| 351 | F | A | 0.0000 | |
| 352 | V | A | 0.0000 | |
| 353 | P | A | 0.1553 | |
| 354 | H | A | 0.0000 | |
| 355 | Y | A | 0.4267 | |
| 356 | N | A | 0.0000 | |
| 357 | L | A | 0.5277 | |
| 358 | N | A | -0.1530 | |
| 359 | A | A | 0.0000 | |
| 360 | N | A | -0.6523 | |
| 361 | S | A | 0.0000 | |
| 362 | I | A | 0.0000 | |
| 363 | I | A | 0.0000 | |
| 364 | Y | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | L | A | -1.4146 | |
| 367 | N | A | -2.1444 | |
| 368 | G | A | -2.2560 | |
| 369 | R | A | -2.4812 | |
| 370 | A | A | 0.0000 | |
| 371 | L | A | -0.8674 | |
| 372 | I | A | 0.0000 | |
| 373 | Q | A | -1.8352 | |
| 374 | V | A | 0.0000 | |
| 375 | V | A | -1.7336 | |
| 376 | N | A | -1.4479 | |
| 377 | C | A | -0.5750 | |
| 378 | N | A | -1.7589 | |
| 379 | G | A | -1.7617 | |
| 380 | E | A | -2.9810 | |
| 381 | R | A | -3.5512 | |
| 382 | V | A | 0.0000 | |
| 383 | F | A | 0.0000 | |
| 384 | D | A | -2.9543 | |
| 385 | G | A | -1.6981 | |
| 386 | E | A | -1.9408 | |
| 387 | L | A | 0.0000 | |
| 388 | Q | A | -2.4049 | |
| 389 | E | A | -2.8791 | |
| 390 | G | A | -2.0248 | |
| 391 | R | A | -2.4969 | |
| 392 | V | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | I | A | 0.0000 | |
| 395 | V | A | 0.0000 | |
| 396 | P | A | 0.0000 | |
| 397 | Q | A | -1.1698 | |
| 398 | N | A | -1.0496 | |
| 399 | F | A | -0.2081 | |
| 400 | V | A | -0.1152 | |
| 401 | V | A | 0.0000 | |
| 402 | A | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | R | A | -1.2251 | |
| 405 | S | A | 0.0000 | |
| 406 | Q | A | -2.1038 | |
| 407 | S | A | -2.8080 | |
| 408 | D | A | -3.5087 | |
| 409 | N | A | -2.8809 | |
| 410 | F | A | 0.0000 | |
| 411 | E | A | -1.5596 | |
| 412 | Y | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | S | A | 0.0000 | |
| 415 | F | A | 0.0000 | |
| 416 | K | A | 0.0000 | |
| 417 | T | A | -0.8720 | |
| 418 | N | A | -0.8865 | |
| 419 | D | A | -0.6196 | |
| 420 | T | A | 0.0494 | |
| 421 | P | A | 0.2884 | |
| 422 | M | A | 1.2877 | |
| 423 | I | A | 1.3400 | |
| 424 | G | A | 0.0000 | |
| 425 | T | A | 0.3159 | |
| 426 | L | A | 0.6137 | |
| 427 | A | A | -0.2373 | |
| 428 | G | A | 0.0000 | |
| 429 | A | A | -1.3521 | |
| 430 | N | A | -1.4152 | |
| 431 | S | A | 0.0000 | |
| 432 | L | A | 0.7125 | |
| 433 | L | A | 0.7094 | |
| 434 | N | A | -0.4274 | |
| 435 | A | A | 0.1497 | |
| 436 | L | A | 0.4160 | |
| 437 | P | A | -0.4287 | |
| 438 | E | A | -1.8268 | |
| 439 | E | A | -2.2725 | |
| 440 | V | A | -0.4545 | |
| 441 | I | A | 0.0000 | |
| 442 | Q | A | -2.0808 | |
| 443 | H | A | -1.6298 | |
| 444 | T | A | -0.5041 | |
| 445 | F | A | -0.1128 | |
| 446 | N | A | -1.4089 | |
| 447 | L | A | -1.6965 | |
| 448 | K | A | -3.0937 | |
| 449 | S | A | -2.8447 | |
| 450 | Q | A | -2.7378 | |
| 451 | Q | A | -2.7146 | |
| 452 | A | A | 0.0000 | |
| 453 | R | A | -3.7281 | |
| 454 | Q | A | -2.9280 | |
| 455 | I | A | -1.2794 | |
| 456 | K | A | -1.8830 | |
| 457 | N | A | -2.6902 | |
| 458 | N | A | -2.4487 | |
| 459 | N | A | -1.4703 | |
| 460 | P | A | -1.1497 | |
| 461 | F | A | -0.5417 | |
| 462 | K | A | -1.2399 | |
| 463 | F | A | 0.0000 | |
| 464 | L | A | 0.0000 | |
| 465 | V | A | -0.2911 | |
| 466 | P | A | -1.3150 | |
| 467 | P | A | -2.2348 | |
| 468 | Q | A | -2.2792 | |
| 469 | E | A | -2.6471 | |
| 470 | S | A | -1.4688 | |
| 10 | N | B | -2.5041 | |
| 11 | E | B | -2.8665 | |
| 12 | C | B | 0.0000 | |
| 13 | Q | B | -1.8563 | |
| 14 | I | B | 0.0000 | |
| 15 | Q | B | -2.5071 | |
| 16 | K | B | -3.1533 | |
| 17 | L | B | 0.0000 | |
| 18 | N | B | -2.2093 | |
| 19 | A | B | -1.5719 | |
| 20 | L | B | -1.5722 | |
| 21 | K | B | -2.6372 | |
| 22 | P | B | 0.0000 | |
| 23 | D | B | -2.3010 | |
| 24 | N | B | -1.9555 | |
| 25 | R | B | -2.3426 | |
| 26 | I | B | -1.4314 | |
| 27 | E | B | -2.2748 | |
| 28 | S | B | -1.7566 | |
| 29 | E | B | -1.8435 | |
| 30 | G | B | 0.0000 | |
| 31 | G | B | -1.1136 | |
| 32 | L | B | -0.9427 | |
| 33 | I | B | 0.0000 | |
| 34 | E | B | -1.5705 | |
| 35 | T | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | N | B | -1.8606 | |
| 38 | P | B | 0.0000 | |
| 39 | N | B | -2.3046 | |
| 40 | N | B | -1.9767 | |
| 41 | K | B | -2.5077 | |
| 42 | P | B | 0.0000 | |
| 43 | F | B | 0.0000 | |
| 44 | Q | B | -2.2804 | |
| 45 | C | B | 0.0000 | |
| 46 | A | B | 0.0000 | |
| 47 | G | B | -1.3921 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | L | B | 0.0000 | |
| 51 | S | B | 0.0000 | |
| 52 | R | B | -0.4347 | |
| 53 | C | B | -0.0861 | |
| 54 | T | B | -0.3964 | |
| 55 | L | B | 0.0000 | |
| 56 | N | B | -2.3691 | |
| 57 | R | B | -3.2457 | |
| 58 | N | B | 0.0000 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | -0.4203 | |
| 61 | R | B | 0.0000 | |
| 62 | R | B | -0.6949 | |
| 63 | P | B | 0.0181 | |
| 64 | S | B | 0.0000 | |
| 65 | Y | B | 0.1901 | |
| 66 | T | B | 0.0000 | |
| 67 | N | B | -1.0989 | |
| 68 | G | B | 0.0000 | |
| 69 | P | B | 0.0000 | |
| 70 | Q | B | 0.0000 | |
| 71 | E | B | 0.0000 | |
| 72 | I | B | 0.0000 | |
| 73 | Y | B | 0.0000 | |
| 74 | I | B | 0.0000 | |
| 75 | Q | B | -1.1631 | |
| 76 | Q | B | -1.4464 | |
| 77 | G | B | 0.0000 | |
| 78 | K | B | -3.1128 | |
| 79 | G | B | -2.1899 | |
| 80 | I | B | 0.0000 | |
| 81 | F | B | 0.0000 | |
| 82 | G | B | 0.0000 | |
| 83 | M | B | 0.5095 | |
| 84 | I | B | 0.9471 | |
| 85 | Y | B | 0.5780 | |
| 86 | P | B | -0.0472 | |
| 87 | G | B | -0.2587 | |
| 88 | C | B | -0.1635 | |
| 89 | P | B | -0.8523 | |
| 90 | S | B | -1.4132 | |
| 91 | T | B | -1.4056 | |
| 110 | R | B | -2.3542 | |
| 111 | H | B | -1.7175 | |
| 112 | Q | B | -1.3246 | |
| 113 | K | B | -1.7655 | |
| 114 | I | B | 0.0000 | |
| 115 | Y | B | -0.7908 | |
| 116 | N | B | -0.9394 | |
| 117 | F | B | 0.0000 | |
| 118 | R | B | -2.2088 | |
| 119 | E | B | -2.2313 | |
| 120 | G | B | 0.0000 | |
| 121 | D | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | I | B | 0.0000 | |
| 124 | A | B | 0.0000 | |
| 125 | V | B | 0.0000 | |
| 126 | P | B | -0.0503 | |
| 127 | T | B | -0.4426 | |
| 128 | G | B | -0.4584 | |
| 129 | V | B | 0.0000 | |
| 130 | A | B | 0.5064 | |
| 131 | W | B | 0.0000 | |
| 132 | W | B | 0.1417 | |
| 133 | M | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | N | B | 0.0000 | |
| 136 | N | B | -3.0926 | |
| 137 | E | B | -3.5658 | |
| 138 | D | B | -3.5645 | |
| 139 | T | B | -2.4041 | |
| 140 | P | B | -2.0239 | |
| 141 | V | B | 0.0000 | |
| 142 | V | B | -0.5307 | |
| 143 | A | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | S | B | 0.0000 | |
| 146 | I | B | 0.0000 | |
| 147 | I | B | 0.0000 | |
| 148 | D | B | -0.9095 | |
| 149 | T | B | -1.6122 | |
| 150 | N | B | -1.8229 | |
| 151 | S | B | -0.8872 | |
| 152 | L | B | 0.4489 | |
| 153 | E | B | -0.8164 | |
| 154 | N | B | -1.3086 | |
| 155 | Q | B | -1.2927 | |
| 156 | L | B | -0.5061 | |
| 157 | D | B | -2.2769 | |
| 158 | Q | B | -2.5690 | |
| 159 | M | B | -1.5900 | |
| 160 | P | B | 0.0000 | |
| 161 | R | B | -1.7560 | |
| 162 | R | B | 0.0000 | |
| 163 | F | B | -0.0769 | |
| 164 | Y | B | 0.0000 | |
| 165 | L | B | 0.4820 | |
| 166 | A | B | -0.2455 | |
| 167 | G | B | -1.5827 | |
| 168 | N | B | -2.0763 | |
| 169 | Q | B | -2.0538 | |
| 170 | E | B | -2.2504 | |
| 171 | Q | B | -1.4267 | |
| 172 | E | B | 0.0000 | |
| 173 | F | B | 0.0000 | |
| 174 | L | B | -1.2804 | |
| 175 | K | B | -1.4759 | |
| 176 | Y | B | -1.4540 | |
| 177 | Q | B | -1.9962 | |
| 178 | Q | B | -1.7986 | |
| 198 | G | B | -1.4293 | |
| 199 | G | B | -1.3461 | |
| 200 | S | B | -0.2266 | |
| 201 | I | B | 0.7866 | |
| 202 | L | B | 0.6377 | |
| 203 | S | B | -0.5677 | |
| 204 | G | B | 0.0845 | |
| 205 | F | B | 0.9271 | |
| 206 | T | B | 0.1978 | |
| 207 | L | B | -1.0776 | |
| 208 | E | B | -1.5620 | |
| 209 | F | B | 0.9234 | |
| 210 | L | B | 0.0000 | |
| 211 | E | B | -1.3776 | |
| 212 | H | B | -0.9274 | |
| 213 | A | B | 0.4970 | |
| 214 | F | B | 1.2797 | |
| 215 | S | B | -0.1579 | |
| 216 | V | B | -0.9389 | |
| 217 | D | B | -2.7318 | |
| 218 | K | B | -3.5189 | |
| 219 | Q | B | -2.6151 | |
| 220 | I | B | -1.2860 | |
| 221 | A | B | 0.0000 | |
| 222 | K | B | -3.3288 | |
| 223 | N | B | -2.5987 | |
| 224 | L | B | -1.0314 | |
| 225 | Q | B | -1.3914 | |
| 226 | G | B | -1.6912 | |
| 227 | E | B | -2.7469 | |
| 233 | K | B | -2.4386 | |
| 234 | G | B | -1.9843 | |
| 235 | A | B | 0.0000 | |
| 236 | I | B | 0.0000 | |
| 237 | V | B | -1.0078 | |
| 238 | T | B | -1.2928 | |
| 239 | V | B | -0.8755 | |
| 240 | K | B | -1.7203 | |
| 241 | G | B | -1.1808 | |
| 242 | G | B | -0.9261 | |
| 243 | L | B | 0.3184 | |
| 244 | S | B | 0.4589 | |
| 245 | V | B | 1.1196 | |
| 246 | I | B | 1.3491 | |
| 247 | K | B | -0.7945 | |
| 248 | P | B | -0.5078 | |
| 297 | I | B | 0.8463 | |
| 298 | C | B | 0.3050 | |
| 299 | T | B | -0.1342 | |
| 300 | M | B | -0.2079 | |
| 301 | R | B | -1.2155 | |
| 302 | L | B | 0.0000 | |
| 303 | R | B | -0.9887 | |
| 304 | H | B | -0.9650 | |
| 305 | N | B | -0.8734 | |
| 306 | I | B | 0.0000 | |
| 307 | G | B | 0.0000 | |
| 308 | Q | B | -1.4441 | |
| 309 | T | B | -0.8851 | |
| 310 | S | B | -0.8661 | |
| 311 | S | B | -0.7170 | |
| 312 | P | B | -0.8973 | |
| 313 | D | B | -1.4676 | |
| 314 | I | B | -0.2360 | |
| 315 | Y | B | 0.5794 | |
| 316 | N | B | 0.0729 | |
| 317 | P | B | -0.4193 | |
| 318 | Q | B | -1.0419 | |
| 319 | A | B | 0.0000 | |
| 320 | G | B | 0.0000 | |
| 321 | S | B | -0.1716 | |
| 322 | V | B | 0.0000 | |
| 323 | T | B | 0.0000 | |
| 324 | T | B | -0.5902 | |
| 325 | A | B | 0.0000 | |
| 326 | T | B | -0.2216 | |
| 327 | S | B | -0.0179 | |
| 328 | L | B | 0.7543 | |
| 329 | D | B | -0.6682 | |
| 330 | F | B | 0.0000 | |
| 331 | P | B | -0.3817 | |
| 332 | A | B | 0.0000 | |
| 333 | L | B | 0.0000 | |
| 334 | S | B | -0.1311 | |
| 335 | W | B | 0.0876 | |
| 336 | L | B | 0.0000 | |
| 337 | R | B | -0.9158 | |
| 338 | L | B | 0.0000 | |
| 339 | S | B | 0.0000 | |
| 340 | A | B | 0.0000 | |
| 341 | E | B | 0.0000 | |
| 342 | F | B | 0.0000 | |
| 343 | G | B | 0.0000 | |
| 344 | S | B | 0.0000 | |
| 345 | L | B | 0.0000 | |
| 346 | R | B | -2.4523 | |
| 347 | K | B | -2.9441 | |
| 348 | N | B | -2.0895 | |
| 349 | A | B | 0.0000 | |
| 350 | M | B | 0.0000 | |
| 351 | F | B | 0.0000 | |
| 352 | V | B | 0.0000 | |
| 353 | P | B | 0.0000 | |
| 354 | H | B | 0.0000 | |
| 355 | Y | B | 0.0000 | |
| 356 | N | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | N | B | -0.2717 | |
| 359 | A | B | 0.0000 | |
| 360 | N | B | 0.0000 | |
| 361 | S | B | 0.0000 | |
| 362 | I | B | 0.0000 | |
| 363 | I | B | 0.0000 | |
| 364 | Y | B | 0.0000 | |
| 365 | A | B | 0.0000 | |
| 366 | L | B | 0.0000 | |
| 367 | N | B | -2.1423 | |
| 368 | G | B | -2.4199 | |
| 369 | R | B | -2.9753 | |
| 370 | A | B | 0.0000 | |
| 371 | L | B | -0.9965 | |
| 372 | I | B | 0.0000 | |
| 373 | Q | B | 0.0000 | |
| 374 | V | B | 0.0000 | |
| 375 | V | B | 0.0000 | |
| 376 | N | B | 0.0000 | |
| 377 | C | B | 0.0000 | |
| 378 | N | B | 0.0000 | |
| 379 | G | B | -1.7335 | |
| 380 | E | B | -2.6170 | |
| 381 | R | B | -2.4952 | |
| 382 | V | B | 0.0000 | |
| 383 | F | B | -2.1377 | |
| 384 | D | B | -2.2251 | |
| 385 | G | B | -1.4752 | |
| 386 | E | B | -2.1616 | |
| 387 | L | B | 0.0000 | |
| 388 | Q | B | -2.6118 | |
| 389 | E | B | -3.0591 | |
| 390 | G | B | -1.9704 | |
| 391 | R | B | -2.3166 | |
| 392 | V | B | 0.0000 | |
| 393 | L | B | 0.0000 | |
| 394 | I | B | 0.0000 | |
| 395 | V | B | 0.0000 | |
| 396 | P | B | 0.0000 | |
| 397 | Q | B | 0.0000 | |
| 398 | N | B | 0.0000 | |
| 399 | F | B | 0.0000 | |
| 400 | V | B | 0.0000 | |
| 401 | V | B | 0.0000 | |
| 402 | A | B | 0.0000 | |
| 403 | A | B | 0.0000 | |
| 404 | R | B | -1.0526 | |
| 405 | S | B | 0.0000 | |
| 406 | Q | B | -2.0775 | |
| 407 | S | B | -2.4949 | |
| 408 | D | B | -3.1261 | |
| 409 | N | B | -2.5133 | |
| 410 | F | B | 0.0000 | |
| 411 | E | B | 0.0000 | |
| 412 | Y | B | 0.0000 | |
| 413 | V | B | 0.0000 | |
| 414 | S | B | 0.0000 | |
| 415 | F | B | 0.0000 | |
| 416 | K | B | 0.0000 | |
| 417 | T | B | 0.0000 | |
| 418 | N | B | -0.8567 | |
| 419 | D | B | -0.5610 | |
| 420 | T | B | -0.0916 | |
| 421 | P | B | -0.1048 | |
| 422 | M | B | 0.2908 | |
| 423 | I | B | 0.6448 | |
| 424 | G | B | 0.0000 | |
| 425 | T | B | 0.0000 | |
| 426 | L | B | 0.0000 | |
| 427 | A | B | 0.0000 | |
| 428 | G | B | 0.0000 | |
| 429 | A | B | -1.2075 | |
| 430 | N | B | -1.6808 | |
| 431 | S | B | 0.0000 | |
| 432 | L | B | 0.0000 | |
| 433 | L | B | 0.0000 | |
| 434 | N | B | -1.4252 | |
| 435 | A | B | 0.0000 | |
| 436 | L | B | 0.0000 | |
| 437 | P | B | 0.0000 | |
| 438 | E | B | 0.0000 | |
| 439 | E | B | -1.0566 | |
| 440 | V | B | 0.0000 | |
| 441 | I | B | 0.0000 | |
| 442 | Q | B | -1.7966 | |
| 443 | H | B | -1.3445 | |
| 444 | T | B | 0.0000 | |
| 445 | F | B | 0.0000 | |
| 446 | N | B | -2.1752 | |
| 447 | L | B | 0.0000 | |
| 448 | K | B | -2.8842 | |
| 449 | S | B | -2.4474 | |
| 450 | Q | B | -2.7515 | |
| 451 | Q | B | -2.6237 | |
| 452 | A | B | 0.0000 | |
| 453 | R | B | -3.4774 | |
| 454 | Q | B | -2.8779 | |
| 455 | I | B | 0.0000 | |
| 456 | K | B | -2.3065 | |
| 457 | N | B | -2.3402 | |
| 458 | N | B | -1.6781 | |
| 459 | N | B | 0.0000 | |
| 460 | P | B | -0.7604 | |
| 461 | F | B | -0.2295 | |
| 462 | K | B | -1.0392 | |
| 463 | F | B | 0.0000 | |
| 464 | L | B | 0.0000 | |
| 465 | V | B | 0.0000 | |
| 466 | P | B | -1.0233 | |
| 467 | P | B | -1.6871 | |
| 468 | Q | B | -1.7559 | |
| 469 | E | B | -2.3154 | |
| 470 | S | B | -1.3428 |
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 | -0.6752 | 3.5846 | View | CSV | PDB |
| 4.5 | -0.7247 | 3.4024 | View | CSV | PDB |
| 5.0 | -0.783 | 3.1778 | View | CSV | PDB |
| 5.5 | -0.8382 | 2.9654 | View | CSV | PDB |
| 6.0 | -0.8784 | 2.8559 | View | CSV | PDB |
| 6.5 | -0.8966 | 2.8202 | View | CSV | PDB |
| 7.0 | -0.8938 | 2.787 | View | CSV | PDB |
| 7.5 | -0.8769 | 2.7469 | View | CSV | PDB |
| 8.0 | -0.852 | 2.8293 | View | CSV | PDB |
| 8.5 | -0.8213 | 3.0717 | View | CSV | PDB |
| 9.0 | -0.785 | 3.3074 | 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