| Chain sequence(s) |
A: NECQIQKLNALKPDNRIESEGGLIETWNPNNKPFQCAGVALSRCTLNRNALRRPSYTNGPQEIYIQQGKGIFGMIYPGCPSTRHQKIYNFREGDLIAVPTGVAWWMYNNEDTPVVAVSIIDTNSLENQLDQMPRRFYLAGNQEQEFLKYQQGGSILSGFTLEFLEHAFSVDKQIAKNLQGEKGAIVTVKGGLSVEKPEETMRLRHNIGQTSSPDIYNPQAGSVTTATSLDFPALSWLRLSAEFGSLRKNAMFVPHYNLNANSIIYALNGRALIQVVNCNGERVFDGELQEGRVLIVPQNFVVAARSQSDNFEYVSFKTNDTPMIGTLAGANSLLNALPEEVIQHTFNLKSQQARQIKNNNPFKFLVPPQES
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 | LE152A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.394787 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[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] FoldX: Building mutant model (00:03:52)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:15)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b2603ca237fde72/tmp/folded.pdb (00:04:15)
[INFO] Main: Simulation completed successfully. (00:09:26)
|
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 | -2.5556 | |
| 11 | E | A | -3.1616 | |
| 12 | C | A | -2.1447 | |
| 13 | Q | A | -2.6433 | |
| 14 | I | A | 0.0000 | |
| 15 | Q | A | -2.8295 | |
| 16 | K | A | -3.4731 | |
| 17 | L | A | 0.0000 | |
| 18 | N | A | -2.2941 | |
| 19 | A | A | -1.4907 | |
| 20 | L | A | -1.5471 | |
| 21 | K | A | -2.5556 | |
| 22 | P | A | -1.8990 | |
| 23 | D | A | -1.8589 | |
| 24 | N | A | -2.0023 | |
| 25 | R | A | -2.3684 | |
| 26 | I | A | -1.5595 | |
| 27 | E | A | -2.4892 | |
| 28 | S | A | -1.9834 | |
| 29 | E | A | -2.0828 | |
| 30 | G | A | 0.0000 | |
| 31 | G | A | -1.3773 | |
| 32 | L | A | -1.1560 | |
| 33 | I | A | 0.0000 | |
| 34 | E | A | 0.0000 | |
| 35 | T | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | N | A | -1.7376 | |
| 38 | P | A | 0.0000 | |
| 39 | N | A | -2.3409 | |
| 40 | N | A | -2.2864 | |
| 41 | K | A | -2.9859 | |
| 42 | P | A | 0.0000 | |
| 43 | F | A | 0.0000 | |
| 44 | Q | A | -2.4438 | |
| 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 | -0.1910 | |
| 52 | R | A | -0.3936 | |
| 53 | C | A | -0.0948 | |
| 54 | T | A | -0.4171 | |
| 55 | L | A | 0.0000 | |
| 56 | N | A | -2.9100 | |
| 57 | R | A | -4.1701 | |
| 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 | -0.8805 | |
| 76 | Q | A | -1.0388 | |
| 77 | G | A | 0.0000 | |
| 78 | K | A | -2.6276 | |
| 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 | -0.6074 | |
| 86 | P | A | -0.4029 | |
| 87 | G | A | -0.9111 | |
| 88 | C | A | -1.2203 | |
| 89 | P | A | -1.2668 | |
| 90 | S | A | -1.4779 | |
| 91 | T | A | -1.3068 | |
| 110 | R | A | -2.0956 | |
| 111 | H | A | -1.6620 | |
| 112 | Q | A | -1.6826 | |
| 113 | K | A | -1.9867 | |
| 114 | I | A | 0.0000 | |
| 115 | Y | A | -0.9569 | |
| 116 | N | A | -1.2464 | |
| 117 | F | A | 0.0000 | |
| 118 | R | A | -1.5150 | |
| 119 | E | A | -1.3742 | |
| 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 | -3.6182 | |
| 137 | E | A | -4.3701 | |
| 138 | D | A | -3.9514 | |
| 139 | T | A | -2.5567 | |
| 140 | P | A | -2.3600 | |
| 141 | V | A | 0.0000 | |
| 142 | V | A | -0.4335 | |
| 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 | -1.2225 | |
| 149 | T | A | 0.0000 | |
| 150 | N | A | -2.2139 | |
| 151 | S | A | -2.2587 | |
| 152 | E | A | -2.5159 | mutated: LE152A |
| 153 | E | A | -1.9296 | |
| 154 | N | A | -1.5764 | |
| 155 | Q | A | -1.2837 | |
| 156 | L | A | -1.0687 | |
| 157 | D | A | -1.7927 | |
| 158 | Q | A | -2.3553 | |
| 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 | -1.8509 | |
| 168 | N | A | -2.5572 | |
| 169 | Q | A | -2.1449 | |
| 170 | E | A | -2.3396 | |
| 171 | Q | A | 0.0000 | |
| 172 | E | A | 0.0000 | |
| 173 | F | A | 0.0000 | |
| 174 | L | A | -0.9380 | |
| 175 | K | A | -1.4460 | |
| 176 | Y | A | 0.0000 | |
| 177 | Q | A | -1.1807 | |
| 178 | Q | A | -1.4972 | |
| 198 | G | A | -1.8893 | |
| 199 | G | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | S | A | -1.2805 | |
| 204 | G | A | 0.0000 | |
| 205 | F | A | 0.0000 | |
| 206 | T | A | -0.9571 | |
| 207 | L | A | -1.5388 | |
| 208 | E | A | -2.3601 | |
| 209 | F | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | E | A | -2.1500 | |
| 212 | H | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | F | A | 0.0000 | |
| 215 | S | A | -1.4305 | |
| 216 | V | A | 0.0000 | |
| 217 | D | A | -3.1917 | |
| 218 | K | A | -3.3206 | |
| 219 | Q | A | -2.7505 | |
| 220 | I | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | K | A | -2.8305 | |
| 223 | N | A | -2.1721 | |
| 224 | L | A | 0.0000 | |
| 225 | Q | A | -1.6144 | |
| 226 | G | A | -1.9918 | |
| 227 | E | A | -2.6715 | |
| 233 | K | A | -2.5197 | |
| 234 | G | A | -1.9593 | |
| 235 | A | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | T | A | -1.6391 | |
| 239 | V | A | 0.0000 | |
| 240 | K | A | -2.1846 | |
| 241 | G | A | -1.3613 | |
| 242 | G | A | -1.4322 | |
| 243 | L | A | 0.0000 | |
| 244 | S | A | -0.9951 | |
| 245 | V | A | -1.2927 | |
| 246 | E | A | -2.6816 | |
| 247 | K | A | -2.7773 | |
| 248 | P | A | -1.5796 | |
| 297 | E | A | -2.2902 | |
| 298 | E | A | -2.5034 | |
| 299 | T | A | -1.6433 | |
| 300 | M | A | -1.5805 | |
| 301 | R | A | -1.7837 | |
| 302 | L | A | 0.0000 | |
| 303 | R | A | -0.9514 | |
| 304 | H | A | -0.9178 | |
| 305 | N | A | -0.7777 | |
| 306 | I | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | Q | A | -1.4462 | |
| 309 | T | A | -0.9500 | |
| 310 | S | A | -0.9685 | |
| 311 | S | A | -0.7693 | |
| 312 | P | A | -0.9069 | |
| 313 | D | A | -1.4822 | |
| 314 | I | A | -0.2762 | |
| 315 | Y | A | 0.5379 | |
| 316 | N | A | 0.0000 | |
| 317 | P | A | -0.5258 | |
| 318 | Q | A | -1.3074 | |
| 319 | A | A | 0.0000 | |
| 320 | G | A | -0.7934 | |
| 321 | S | A | -0.2653 | |
| 322 | V | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | -0.6286 | |
| 325 | A | A | 0.0000 | |
| 326 | T | A | -0.3040 | |
| 327 | S | A | -0.2017 | |
| 328 | L | A | 0.7279 | |
| 329 | D | A | -0.7641 | |
| 330 | F | A | 0.0000 | |
| 331 | P | A | -0.4135 | |
| 332 | A | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | S | A | -0.5217 | |
| 335 | W | A | -0.4285 | |
| 336 | L | A | 0.0000 | |
| 337 | R | A | -2.2605 | |
| 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 | -3.2150 | |
| 347 | K | A | -3.7897 | |
| 348 | N | A | -2.8784 | |
| 349 | A | A | 0.0000 | |
| 350 | M | A | -0.6545 | |
| 351 | F | A | 0.0000 | |
| 352 | V | A | 0.0000 | |
| 353 | P | A | 0.1541 | |
| 354 | H | A | 0.0000 | |
| 355 | Y | A | 0.4332 | |
| 356 | N | A | 0.0000 | |
| 357 | L | A | 0.5393 | |
| 358 | N | A | -0.1650 | |
| 359 | A | A | 0.0000 | |
| 360 | N | A | -0.6634 | |
| 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 | -1.4147 | |
| 367 | N | A | -2.1441 | |
| 368 | G | A | -2.2523 | |
| 369 | R | A | -2.4673 | |
| 370 | A | A | 0.0000 | |
| 371 | L | A | -0.8477 | |
| 372 | I | A | 0.0000 | |
| 373 | Q | A | -1.8288 | |
| 374 | V | A | 0.0000 | |
| 375 | V | A | -1.7255 | |
| 376 | N | A | -1.4393 | |
| 377 | C | A | -0.5701 | |
| 378 | N | A | -1.7508 | |
| 379 | G | A | -1.7513 | |
| 380 | E | A | -2.9506 | |
| 381 | R | A | -3.5361 | |
| 382 | V | A | 0.0000 | |
| 383 | F | A | 0.0000 | |
| 384 | D | A | -2.9492 | |
| 385 | G | A | -1.6874 | |
| 386 | E | A | -1.9141 | |
| 387 | L | A | 0.0000 | |
| 388 | Q | A | -2.3904 | |
| 389 | E | A | -2.8812 | |
| 390 | G | A | -2.0247 | |
| 391 | R | A | -2.4930 | |
| 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 | -1.1673 | |
| 398 | N | A | -1.0454 | |
| 399 | F | A | -0.2080 | |
| 400 | V | A | -0.1158 | |
| 401 | V | A | 0.0000 | |
| 402 | A | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | R | A | -1.2284 | |
| 405 | S | A | 0.0000 | |
| 406 | Q | A | -2.0941 | |
| 407 | S | A | -2.8043 | |
| 408 | D | A | -3.5061 | |
| 409 | N | A | -2.8772 | |
| 410 | F | A | 0.0000 | |
| 411 | E | A | -1.5626 | |
| 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 | -1.0145 | |
| 418 | N | A | -1.1365 | |
| 419 | D | A | -0.8858 | |
| 420 | T | A | -0.0654 | |
| 421 | P | A | 0.2156 | |
| 422 | M | A | 1.2828 | |
| 423 | I | A | 1.3582 | |
| 424 | G | A | 0.0000 | |
| 425 | T | A | 0.3134 | |
| 426 | L | A | 0.6150 | |
| 427 | A | A | -0.2452 | |
| 428 | G | A | 0.0000 | |
| 429 | A | A | -1.3681 | |
| 430 | N | A | -1.4273 | |
| 431 | S | A | 0.0000 | |
| 432 | L | A | 0.7126 | |
| 433 | L | A | 0.7083 | |
| 434 | N | A | -0.4296 | |
| 435 | A | A | 0.1502 | |
| 436 | L | A | 0.4185 | |
| 437 | P | A | -0.4268 | |
| 438 | E | A | -1.8285 | |
| 439 | E | A | -2.2725 | |
| 440 | V | A | -0.4540 | |
| 441 | I | A | 0.0000 | |
| 442 | Q | A | -2.0815 | |
| 443 | H | A | -1.6301 | |
| 444 | T | A | -0.5041 | |
| 445 | F | A | -0.1128 | |
| 446 | N | A | -1.4094 | |
| 447 | L | A | -1.6987 | |
| 448 | K | A | -3.0967 | |
| 449 | S | A | -2.8482 | |
| 450 | Q | A | -2.7441 | |
| 451 | Q | A | -2.7253 | |
| 452 | A | A | 0.0000 | |
| 453 | R | A | -3.7377 | |
| 454 | Q | A | -2.9451 | |
| 455 | I | A | -1.2938 | |
| 456 | K | A | -1.8888 | |
| 457 | N | A | -2.6960 | |
| 458 | N | A | -2.4548 | |
| 459 | N | A | -1.4788 | |
| 460 | P | A | -1.1584 | |
| 461 | F | A | -0.5627 | |
| 462 | K | A | -1.2848 | |
| 463 | F | A | 0.0000 | |
| 464 | L | A | 0.0000 | |
| 465 | V | A | -0.2944 | |
| 466 | P | A | -1.3086 | |
| 467 | P | A | -2.2316 | |
| 468 | Q | A | -2.2783 | |
| 469 | E | A | -2.6465 | |
| 470 | S | A | -1.4688 | |
| 10 | N | B | -2.5103 | |
| 11 | E | B | -2.8689 | |
| 12 | C | B | 0.0000 | |
| 13 | Q | B | -1.8604 | |
| 14 | I | B | 0.0000 | |
| 15 | Q | B | -2.5049 | |
| 16 | K | B | -3.1514 | |
| 17 | L | B | 0.0000 | |
| 18 | N | B | -2.2103 | |
| 19 | A | B | -1.5755 | |
| 20 | L | B | -1.5772 | |
| 21 | K | B | -2.6448 | |
| 22 | P | B | 0.0000 | |
| 23 | D | B | -2.3137 | |
| 24 | N | B | -1.9645 | |
| 25 | R | B | -2.3434 | |
| 26 | I | B | -1.4270 | |
| 27 | E | B | -2.2686 | |
| 28 | S | B | -1.7421 | |
| 29 | E | B | -1.8170 | |
| 30 | G | B | 0.0000 | |
| 31 | G | B | -1.1082 | |
| 32 | L | B | -0.9362 | |
| 33 | I | B | 0.0000 | |
| 34 | E | B | -1.5714 | |
| 35 | T | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | N | B | -1.8689 | |
| 38 | P | B | 0.0000 | |
| 39 | N | B | -2.3039 | |
| 40 | N | B | -1.9756 | |
| 41 | K | B | -2.5057 | |
| 42 | P | B | 0.0000 | |
| 43 | F | B | 0.0000 | |
| 44 | Q | B | -2.2742 | |
| 45 | C | B | 0.0000 | |
| 46 | A | B | 0.0000 | |
| 47 | G | B | -1.3920 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | L | B | 0.0000 | |
| 51 | S | B | 0.0000 | |
| 52 | R | B | -0.4337 | |
| 53 | C | B | -0.0843 | |
| 54 | T | B | -0.3961 | |
| 55 | L | B | 0.0000 | |
| 56 | N | B | -2.3866 | |
| 57 | R | B | -3.2836 | |
| 58 | N | B | 0.0000 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | -0.4233 | |
| 61 | R | B | 0.0000 | |
| 62 | R | B | -0.7104 | |
| 63 | P | B | -0.0044 | |
| 64 | S | B | 0.0000 | |
| 65 | Y | B | 0.1986 | |
| 66 | T | B | 0.0000 | |
| 67 | N | B | -1.0673 | |
| 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 | -1.1635 | |
| 76 | Q | B | -1.4464 | |
| 77 | G | B | 0.0000 | |
| 78 | K | B | -3.1179 | |
| 79 | G | B | -2.1975 | |
| 80 | I | B | 0.0000 | |
| 81 | F | B | 0.0000 | |
| 82 | G | B | 0.0000 | |
| 83 | M | B | 0.0000 | |
| 84 | I | B | 0.8942 | |
| 85 | Y | B | 0.5467 | |
| 86 | P | B | -0.0598 | |
| 87 | G | B | -0.2587 | |
| 88 | C | B | -0.1753 | |
| 89 | P | B | -0.8547 | |
| 90 | S | B | -1.4171 | |
| 91 | T | B | -1.4097 | |
| 110 | R | B | -2.3572 | |
| 111 | H | B | -1.7239 | |
| 112 | Q | B | -1.3511 | |
| 113 | K | B | -1.7927 | |
| 114 | I | B | 0.0000 | |
| 115 | Y | B | -0.8060 | |
| 116 | N | B | -0.9414 | |
| 117 | F | B | 0.0000 | |
| 118 | R | B | -2.2096 | |
| 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 | -0.0301 | |
| 127 | T | B | -0.4151 | |
| 128 | G | B | -0.4420 | |
| 129 | V | B | 0.0000 | |
| 130 | A | B | 0.4747 | |
| 131 | W | B | 0.0000 | |
| 132 | W | B | 0.1133 | |
| 133 | M | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | N | B | 0.0000 | |
| 136 | N | B | -3.1150 | |
| 137 | E | B | -3.5995 | |
| 138 | D | B | -3.5879 | |
| 139 | T | B | -2.4200 | |
| 140 | P | B | -2.0382 | |
| 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 | -0.8744 | |
| 149 | T | B | -1.5911 | |
| 150 | N | B | -1.8069 | |
| 151 | S | B | -0.8227 | |
| 152 | L | B | 0.1416 | |
| 153 | E | B | -0.6995 | |
| 154 | N | B | -1.2516 | |
| 155 | Q | B | -1.2606 | |
| 156 | L | B | -0.4921 | |
| 157 | D | B | -2.2730 | |
| 158 | Q | B | -2.5645 | |
| 159 | M | B | -1.5834 | |
| 160 | P | B | 0.0000 | |
| 161 | R | B | -1.7101 | |
| 162 | R | B | 0.0000 | |
| 163 | F | B | -0.0665 | |
| 164 | Y | B | 0.0000 | |
| 165 | L | B | 0.4768 | |
| 166 | A | B | -0.2526 | |
| 167 | G | B | -1.5884 | |
| 168 | N | B | -2.0827 | |
| 169 | Q | B | -2.0571 | |
| 170 | E | B | -2.2599 | |
| 171 | Q | B | -1.4260 | |
| 172 | E | B | 0.0000 | |
| 173 | F | B | 0.0000 | |
| 174 | L | B | -1.3035 | |
| 175 | K | B | -1.5134 | |
| 176 | Y | B | -1.4688 | |
| 177 | Q | B | -2.0059 | |
| 178 | Q | B | -1.8137 | |
| 198 | G | B | -1.4347 | |
| 199 | G | B | -1.3526 | |
| 200 | S | B | -0.2298 | |
| 201 | I | B | 0.7853 | |
| 202 | L | B | 0.6387 | |
| 203 | S | B | -0.5585 | |
| 204 | G | B | 0.0876 | |
| 205 | F | B | 0.9353 | |
| 206 | T | B | 0.2160 | |
| 207 | L | B | -1.0442 | |
| 208 | E | B | -1.5435 | |
| 209 | F | B | 0.9310 | |
| 210 | L | B | 0.0000 | |
| 211 | E | B | -1.3575 | |
| 212 | H | B | -0.9219 | |
| 213 | A | B | 0.5006 | |
| 214 | F | B | 1.2807 | |
| 215 | S | B | -0.1551 | |
| 216 | V | B | -0.9288 | |
| 217 | D | B | -2.7199 | |
| 218 | K | B | -3.4850 | |
| 219 | Q | B | -2.5875 | |
| 220 | I | B | -1.2623 | |
| 221 | A | B | 0.0000 | |
| 222 | K | B | -3.2595 | |
| 223 | N | B | -2.5673 | |
| 224 | L | B | -1.0089 | |
| 225 | Q | B | -1.3657 | |
| 226 | G | B | -1.6821 | |
| 227 | E | B | -2.7312 | |
| 233 | K | B | -2.4271 | |
| 234 | G | B | -1.9780 | |
| 235 | A | B | 0.0000 | |
| 236 | I | B | 0.0000 | |
| 237 | V | B | -0.9918 | |
| 238 | T | B | -1.2872 | |
| 239 | V | B | -0.8739 | |
| 240 | K | B | -1.7188 | |
| 241 | G | B | -1.1808 | |
| 242 | G | B | -0.9303 | |
| 243 | L | B | 0.3174 | |
| 244 | S | B | 0.4577 | |
| 245 | V | B | 1.1169 | |
| 246 | I | B | 1.3477 | |
| 247 | K | B | -0.7953 | |
| 248 | P | B | -0.5084 | |
| 297 | I | B | 0.8529 | |
| 298 | C | B | 0.2969 | |
| 299 | T | B | -0.1302 | |
| 300 | M | B | -0.2009 | |
| 301 | R | B | -1.2034 | |
| 302 | L | B | 0.0000 | |
| 303 | R | B | -0.9897 | |
| 304 | H | B | -0.9679 | |
| 305 | N | B | -0.8745 | |
| 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 | -0.7172 | |
| 312 | P | B | -0.8980 | |
| 313 | D | B | -1.4684 | |
| 314 | I | B | -0.2411 | |
| 315 | Y | B | 0.5768 | |
| 316 | N | B | 0.0687 | |
| 317 | P | B | -0.4198 | |
| 318 | Q | B | -1.0415 | |
| 319 | A | B | 0.0000 | |
| 320 | G | B | 0.0000 | |
| 321 | S | B | -0.1723 | |
| 322 | V | B | 0.0000 | |
| 323 | T | B | 0.0000 | |
| 324 | T | B | -0.5938 | |
| 325 | A | B | 0.0000 | |
| 326 | T | B | -0.2024 | |
| 327 | S | B | 0.0051 | |
| 328 | L | B | 0.7430 | |
| 329 | D | B | -0.6901 | |
| 330 | F | B | 0.0000 | |
| 331 | P | B | -0.3698 | |
| 332 | A | B | 0.0000 | |
| 333 | L | B | 0.0000 | |
| 334 | S | B | -0.0636 | |
| 335 | W | B | 0.1519 | |
| 336 | L | B | 0.0000 | |
| 337 | R | B | -0.7249 | |
| 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 | -2.4507 | |
| 347 | K | B | -2.9409 | |
| 348 | N | B | -2.1160 | |
| 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 | 0.0000 | |
| 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 | -2.1507 | |
| 368 | G | B | -2.4274 | |
| 369 | R | B | -2.9881 | |
| 370 | A | B | 0.0000 | |
| 371 | L | B | -1.0042 | |
| 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 | -1.7253 | |
| 380 | E | B | -2.5997 | |
| 381 | R | B | -2.4867 | |
| 382 | V | B | 0.0000 | |
| 383 | F | B | -2.1355 | |
| 384 | D | B | -2.2258 | |
| 385 | G | B | -1.4764 | |
| 386 | E | B | -2.1678 | |
| 387 | L | B | 0.0000 | |
| 388 | Q | B | -2.6236 | |
| 389 | E | B | -3.0741 | |
| 390 | G | B | -1.9810 | |
| 391 | R | B | -2.3306 | |
| 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 | -1.0590 | |
| 405 | S | B | 0.0000 | |
| 406 | Q | B | -2.0834 | |
| 407 | S | B | -2.4976 | |
| 408 | D | B | -3.1259 | |
| 409 | N | B | -2.5142 | |
| 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 | -0.7214 | |
| 419 | D | B | -0.4592 | |
| 420 | T | B | -0.0297 | |
| 421 | P | B | -0.0340 | |
| 422 | M | B | 0.3511 | |
| 423 | I | B | 0.6914 | |
| 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 | -1.2122 | |
| 430 | N | B | -1.6855 | |
| 431 | S | B | 0.0000 | |
| 432 | L | B | 0.0000 | |
| 433 | L | B | 0.0000 | |
| 434 | N | B | -1.4271 | |
| 435 | A | B | 0.0000 | |
| 436 | L | B | 0.0000 | |
| 437 | P | B | 0.0000 | |
| 438 | E | B | 0.0000 | |
| 439 | E | B | -1.0617 | |
| 440 | V | B | 0.0000 | |
| 441 | I | B | 0.0000 | |
| 442 | Q | B | -1.8005 | |
| 443 | H | B | -1.3449 | |
| 444 | T | B | 0.0000 | |
| 445 | F | B | 0.0000 | |
| 446 | N | B | -2.1765 | |
| 447 | L | B | 0.0000 | |
| 448 | K | B | -2.8899 | |
| 449 | S | B | -2.4559 | |
| 450 | Q | B | -2.7620 | |
| 451 | Q | B | -2.6379 | |
| 452 | A | B | 0.0000 | |
| 453 | R | B | -3.4948 | |
| 454 | Q | B | -2.8796 | |
| 455 | I | B | 0.0000 | |
| 456 | K | B | -2.3079 | |
| 457 | N | B | -2.3336 | |
| 458 | N | B | -1.6560 | |
| 459 | N | B | 0.0000 | |
| 460 | P | B | -0.7608 | |
| 461 | F | B | -0.2423 | |
| 462 | K | B | -1.0573 | |
| 463 | F | B | 0.0000 | |
| 464 | L | B | 0.0000 | |
| 465 | V | B | 0.0000 | |
| 466 | P | B | -1.0589 | |
| 467 | P | B | -1.7534 | |
| 468 | Q | B | -1.8929 | |
| 469 | E | B | -2.3824 | |
| 470 | S | B | -1.3807 |
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 | -0.6907 | 3.609 | View | CSV | PDB |
| 4.5 | -0.7415 | 3.4362 | View | CSV | PDB |
| 5.0 | -0.8016 | 3.2173 | View | CSV | PDB |
| 5.5 | -0.8588 | 3.0064 | View | CSV | PDB |
| 6.0 | -0.9011 | 2.858 | View | CSV | PDB |
| 6.5 | -0.921 | 2.8191 | View | CSV | PDB |
| 7.0 | -0.9192 | 2.782 | View | CSV | PDB |
| 7.5 | -0.903 | 2.7398 | View | CSV | PDB |
| 8.0 | -0.8784 | 2.8232 | View | CSV | PDB |
| 8.5 | -0.848 | 3.0656 | View | CSV | PDB |
| 9.0 | -0.8119 | 3.3016 | 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