| Chain sequence(s) |
A: NSMSLRKVLANPRFNAKDFVHDKLSNASAITIDKFTSNLTDLSIQVQEEVKLNINKSYNEIMTVNNDLNVAMLELKRVRGNINDLNETLDQFTKIAAKRLQLQNQINKERQDNARSSVFILEKLWDTELDQLFKNVEGAQKFINSTKGRHILMNSANWMELNITTGKLLQMVQIFILNDLVLIADKSRDKQNDFAVSQCYPLKDVTVTREEFSSKRLLFKFSNSNSSLYECREADECAKMLDVIRKAKDDLCDIFHVEEENSKRIRESFRYLQSTQQTPGRENNRSPKKSQRRSMGGSITPGRNISAHRLRFLDEGVEEIDIELARLRFETAVDVLLDIESQLQDLAEKLHNLISLKIEQRREAIASKLSQSILSSNEVMRLKSGTENMIKLGLPEQALDLFLQNRSNLIQDLILQIVDNPTNYLTQLAVIRFQTIKKTVEDFQDIFKKLSGKISSILVDWCSDEVDKHFKLIDKQLLNDSPSSIKSSRKQIDGLKAVGLDFVYKLDEFIKKNSDKIR
input PDB |
| Selected Chain(s) | A |
| 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 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 partially or entirely disordered. Average 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 (00:12:16)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2222160f10a115f/tmp/folded.pdb (00:12:16)
[INFO] Main: Simulation completed successfully. (00:16:10)
|
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 |
|---|---|---|---|---|
| 169 | N | A | -1.3598 | |
| 170 | S | A | -0.6477 | |
| 171 | M | A | 0.4447 | |
| 172 | S | A | 0.1724 | |
| 173 | L | A | -0.0794 | |
| 174 | R | A | -0.7067 | |
| 175 | K | A | -1.1441 | |
| 176 | V | A | 0.9000 | |
| 177 | L | A | -0.0022 | |
| 178 | A | A | -1.5592 | |
| 179 | N | A | -1.9776 | |
| 180 | P | A | -1.4294 | |
| 181 | R | A | -2.3471 | |
| 182 | F | A | 0.1879 | |
| 183 | N | A | -1.0395 | |
| 184 | A | A | -1.7067 | |
| 185 | K | A | -3.1709 | |
| 186 | D | A | -3.3782 | |
| 187 | F | A | -1.7838 | |
| 188 | V | A | 0.0000 | |
| 189 | H | A | -2.8113 | |
| 190 | D | A | -3.3299 | |
| 191 | K | A | -2.6117 | |
| 192 | L | A | -1.1824 | |
| 193 | S | A | -1.8319 | |
| 194 | N | A | -1.8487 | |
| 195 | A | A | -0.1248 | |
| 196 | S | A | -0.0000 | |
| 197 | A | A | 0.4660 | |
| 198 | I | A | 1.2104 | |
| 199 | T | A | 0.0952 | |
| 200 | I | A | 0.0551 | |
| 201 | D | A | -1.4621 | |
| 202 | K | A | -1.8922 | |
| 203 | F | A | -0.9468 | |
| 204 | T | A | -0.9284 | |
| 205 | S | A | -1.5017 | |
| 206 | N | A | -1.1131 | |
| 207 | L | A | -0.0649 | |
| 208 | T | A | -0.6160 | |
| 209 | D | A | -1.3063 | |
| 210 | L | A | -0.9699 | |
| 211 | S | A | -0.3936 | |
| 212 | I | A | -0.5807 | |
| 213 | Q | A | -1.2793 | |
| 214 | V | A | -0.5427 | |
| 215 | Q | A | -1.7100 | |
| 216 | E | A | -2.4217 | |
| 217 | E | A | -2.0617 | |
| 218 | V | A | -0.9384 | |
| 219 | K | A | -2.1551 | |
| 220 | L | A | -1.5181 | |
| 221 | N | A | -1.6023 | |
| 222 | I | A | -0.6625 | |
| 223 | N | A | -1.6484 | |
| 224 | K | A | -2.1364 | |
| 225 | S | A | -0.2944 | |
| 226 | Y | A | 0.1731 | |
| 227 | N | A | -1.5738 | |
| 228 | E | A | -1.3448 | |
| 229 | I | A | 1.0774 | |
| 230 | M | A | 0.1403 | |
| 231 | T | A | -0.6749 | |
| 232 | V | A | 0.7333 | |
| 233 | N | A | -0.7896 | |
| 234 | N | A | -1.5335 | |
| 235 | D | A | -1.1774 | |
| 236 | L | A | -0.0709 | |
| 237 | N | A | -1.0031 | |
| 238 | V | A | -0.0188 | |
| 239 | A | A | -0.3419 | |
| 240 | M | A | -0.1419 | |
| 241 | L | A | -0.3189 | |
| 242 | E | A | -1.5089 | |
| 243 | L | A | -1.0212 | |
| 244 | K | A | -2.7099 | |
| 245 | R | A | -2.9554 | |
| 246 | V | A | -1.4264 | |
| 247 | R | A | -2.8269 | |
| 248 | G | A | -3.0908 | |
| 249 | N | A | -2.8328 | |
| 250 | I | A | -1.6947 | |
| 251 | N | A | -3.3829 | |
| 252 | D | A | -3.4550 | |
| 253 | L | A | -1.6443 | |
| 254 | N | A | -2.9704 | |
| 255 | E | A | -3.2250 | |
| 256 | T | A | -1.3286 | |
| 257 | L | A | -0.6123 | |
| 258 | D | A | -2.4098 | |
| 259 | Q | A | -2.1862 | |
| 260 | F | A | 0.0260 | |
| 261 | T | A | -0.7329 | |
| 262 | K | A | -2.1414 | |
| 263 | I | A | -0.3352 | |
| 264 | A | A | -0.1673 | |
| 265 | A | A | -1.0469 | |
| 266 | K | A | -2.0025 | |
| 267 | R | A | -1.0747 | |
| 268 | L | A | -0.1539 | |
| 269 | Q | A | -1.8363 | |
| 270 | L | A | -0.8935 | |
| 271 | Q | A | -1.6933 | |
| 272 | N | A | -2.3819 | |
| 273 | Q | A | -2.1456 | |
| 274 | I | A | -1.5578 | |
| 275 | N | A | -3.1002 | |
| 276 | K | A | -4.4566 | |
| 277 | E | A | -4.8564 | |
| 278 | R | A | -4.6764 | |
| 279 | Q | A | -4.4642 | |
| 280 | D | A | -4.5426 | |
| 281 | N | A | -3.1124 | |
| 282 | A | A | -1.7106 | |
| 309 | R | A | -1.5082 | |
| 310 | S | A | -0.6489 | |
| 311 | S | A | 0.2202 | |
| 312 | V | A | 0.3849 | |
| 313 | F | A | 0.6512 | |
| 314 | I | A | 1.1554 | |
| 315 | L | A | 0.0810 | |
| 316 | E | A | -1.3160 | |
| 317 | K | A | -0.9766 | |
| 318 | L | A | 0.2714 | |
| 319 | W | A | -0.0853 | |
| 320 | D | A | -1.2866 | |
| 321 | T | A | -0.7775 | |
| 322 | E | A | -0.4219 | |
| 323 | L | A | -0.0598 | |
| 324 | D | A | -1.1759 | |
| 325 | Q | A | -0.4563 | |
| 326 | L | A | 0.3369 | |
| 327 | F | A | 0.3035 | |
| 328 | K | A | -1.4805 | |
| 329 | N | A | 0.0000 | |
| 330 | V | A | 0.4569 | |
| 331 | E | A | -1.8013 | |
| 332 | G | A | -1.0348 | |
| 333 | A | A | 0.0000 | |
| 334 | Q | A | 0.0000 | |
| 335 | K | A | 0.0000 | |
| 336 | F | A | 1.5965 | |
| 337 | I | A | 1.2310 | |
| 338 | N | A | -0.3429 | |
| 339 | S | A | -0.4785 | |
| 340 | T | A | -0.3719 | |
| 341 | K | A | -1.7170 | |
| 342 | G | A | -0.6903 | |
| 343 | R | A | 0.0000 | |
| 344 | H | A | 0.1346 | |
| 345 | I | A | 1.2358 | |
| 346 | L | A | 0.2336 | |
| 347 | M | A | 0.0977 | |
| 348 | N | A | -0.2896 | |
| 349 | S | A | -0.6369 | |
| 350 | A | A | 0.0000 | |
| 351 | N | A | -1.6753 | |
| 352 | W | A | 0.0000 | |
| 353 | M | A | -0.2974 | |
| 354 | E | A | -0.3168 | |
| 355 | L | A | 0.1160 | |
| 356 | N | A | -0.2479 | |
| 357 | I | A | 0.3744 | |
| 358 | T | A | -0.2576 | |
| 359 | T | A | -0.5395 | |
| 360 | G | A | -0.8041 | |
| 361 | K | A | -1.0347 | |
| 362 | L | A | 0.6760 | |
| 363 | L | A | 0.4025 | |
| 364 | Q | A | -0.6927 | |
| 365 | M | A | -0.5053 | |
| 366 | V | A | 0.0000 | |
| 367 | Q | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | N | A | -0.2660 | |
| 373 | D | A | -0.6612 | |
| 374 | L | A | -0.5419 | |
| 375 | V | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | I | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | D | A | 0.0000 | |
| 380 | K | A | -1.5942 | |
| 381 | S | A | -2.0261 | |
| 382 | R | A | -2.8217 | |
| 383 | D | A | -2.2252 | |
| 384 | K | A | -3.1393 | |
| 385 | Q | A | -2.7315 | |
| 386 | N | A | -1.5392 | |
| 387 | D | A | -0.7884 | |
| 388 | F | A | 1.3290 | |
| 389 | A | A | 0.0000 | |
| 390 | V | A | 1.5911 | |
| 391 | S | A | 1.1483 | |
| 392 | Q | A | 0.3670 | |
| 393 | C | A | 0.6780 | |
| 394 | Y | A | -0.0810 | |
| 395 | P | A | -0.6616 | |
| 396 | L | A | 0.0000 | |
| 397 | K | A | -2.0434 | |
| 398 | D | A | -1.8945 | |
| 399 | V | A | 0.0000 | |
| 400 | T | A | -0.3342 | |
| 401 | V | A | 0.0000 | |
| 402 | T | A | -0.6576 | |
| 403 | R | A | -2.3637 | |
| 404 | E | A | -1.2578 | |
| 405 | E | A | -1.0845 | |
| 406 | F | A | 0.6937 | |
| 407 | S | A | -0.1665 | |
| 408 | S | A | -0.7594 | |
| 409 | K | A | -2.3332 | |
| 410 | R | A | -3.0244 | |
| 411 | L | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | F | A | 0.2293 | |
| 414 | K | A | 0.0000 | |
| 415 | F | A | 1.3349 | |
| 416 | S | A | 0.0000 | |
| 417 | N | A | -1.1771 | |
| 418 | S | A | -0.6960 | |
| 419 | N | A | -0.4153 | |
| 420 | S | A | 0.4197 | |
| 421 | S | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | Y | A | 0.0000 | |
| 424 | E | A | -1.3560 | |
| 425 | C | A | 0.0000 | |
| 426 | R | A | -3.5082 | |
| 427 | E | A | -3.8083 | |
| 428 | A | A | -3.1598 | |
| 429 | D | A | -3.6112 | |
| 430 | E | A | -3.1911 | |
| 431 | C | A | 0.0000 | |
| 432 | A | A | -3.0412 | |
| 433 | K | A | -3.5098 | |
| 434 | M | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | D | A | -4.1372 | |
| 437 | V | A | -2.8400 | |
| 438 | I | A | 0.0000 | |
| 439 | R | A | -4.2050 | |
| 440 | K | A | -4.0336 | |
| 441 | A | A | 0.0000 | |
| 442 | K | A | -2.7669 | |
| 443 | D | A | -3.3859 | |
| 444 | D | A | -1.6892 | |
| 445 | L | A | -1.3614 | |
| 446 | C | A | -1.5252 | |
| 447 | D | A | -1.7567 | |
| 448 | I | A | 0.7660 | |
| 449 | F | A | 0.1916 | |
| 450 | H | A | -1.5969 | |
| 451 | V | A | -2.0823 | |
| 452 | E | A | -2.9803 | |
| 453 | E | A | -3.9098 | |
| 454 | E | A | -3.6890 | |
| 455 | N | A | -3.2704 | |
| 456 | S | A | -3.4761 | |
| 457 | K | A | -4.5627 | |
| 458 | R | A | -4.2907 | |
| 459 | I | A | -2.4247 | |
| 460 | R | A | -3.4021 | |
| 461 | E | A | -3.5990 | |
| 462 | S | A | -2.0838 | |
| 463 | F | A | -1.0773 | |
| 464 | R | A | -2.1740 | |
| 465 | Y | A | -0.6473 | |
| 466 | L | A | -0.7068 | |
| 467 | Q | A | -1.0572 | |
| 468 | S | A | -0.9291 | |
| 469 | T | A | -1.2584 | |
| 470 | Q | A | -1.5283 | |
| 471 | Q | A | -1.4866 | |
| 472 | T | A | -1.4278 | |
| 473 | P | A | -2.1565 | |
| 474 | G | A | -2.9477 | |
| 475 | R | A | -3.5052 | |
| 476 | E | A | -3.6519 | |
| 477 | N | A | -3.4790 | |
| 478 | N | A | -3.0221 | |
| 479 | R | A | -2.1340 | |
| 480 | S | A | -1.6139 | |
| 481 | P | A | -1.6596 | |
| 482 | K | A | -2.7547 | |
| 483 | K | A | -3.3460 | |
| 484 | S | A | -2.5839 | |
| 485 | Q | A | -2.7841 | |
| 486 | R | A | -3.0170 | |
| 487 | R | A | -2.7450 | |
| 488 | S | A | -1.3116 | |
| 489 | M | A | -0.7380 | |
| 490 | G | A | -1.0806 | |
| 491 | G | A | -0.9119 | |
| 492 | S | A | -0.4517 | |
| 493 | I | A | -0.2976 | |
| 494 | T | A | -0.8099 | |
| 495 | P | A | -0.9156 | |
| 496 | G | A | -1.2591 | |
| 497 | R | A | -2.0874 | |
| 498 | N | A | -1.3272 | |
| 499 | I | A | 0.7319 | |
| 527 | S | A | -1.3158 | |
| 528 | A | A | -0.6851 | |
| 529 | H | A | -1.6581 | |
| 530 | R | A | -2.0229 | |
| 531 | L | A | 0.0000 | |
| 532 | R | A | -0.9745 | |
| 533 | F | A | 0.0500 | |
| 534 | L | A | -0.7403 | |
| 535 | D | A | 0.0000 | |
| 536 | E | A | -2.0105 | |
| 537 | G | A | 0.0000 | |
| 538 | V | A | 0.0000 | |
| 539 | E | A | -1.5358 | |
| 540 | E | A | -1.6589 | |
| 541 | I | A | 0.0000 | |
| 542 | D | A | -0.7632 | |
| 543 | I | A | 0.4400 | |
| 544 | E | A | -0.8818 | |
| 545 | L | A | 0.0000 | |
| 546 | A | A | -0.3227 | |
| 547 | R | A | -1.1789 | |
| 548 | L | A | -0.1092 | |
| 549 | R | A | -1.5668 | |
| 550 | F | A | 0.0000 | |
| 551 | E | A | -2.0878 | |
| 552 | T | A | -1.3986 | |
| 553 | A | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | D | A | -2.1760 | |
| 556 | V | A | -1.2428 | |
| 557 | L | A | 0.0000 | |
| 558 | L | A | -1.2963 | |
| 559 | D | A | -2.1019 | |
| 560 | I | A | 0.0000 | |
| 561 | E | A | -1.9876 | |
| 562 | S | A | -1.6806 | |
| 563 | Q | A | -1.6582 | |
| 564 | L | A | -1.6034 | |
| 565 | Q | A | -2.5130 | |
| 566 | D | A | -2.8004 | |
| 567 | L | A | -1.5590 | |
| 568 | A | A | -2.0703 | |
| 569 | E | A | -3.0064 | |
| 570 | K | A | -2.6536 | |
| 578 | L | A | 0.4720 | |
| 579 | H | A | -0.3017 | |
| 580 | N | A | -0.9312 | |
| 581 | L | A | -0.9125 | |
| 582 | I | A | 0.0000 | |
| 583 | S | A | -1.1496 | |
| 584 | L | A | -1.4402 | |
| 585 | K | A | -1.6875 | |
| 586 | I | A | 0.0000 | |
| 587 | E | A | -3.1369 | |
| 588 | Q | A | -2.9490 | |
| 589 | R | A | -2.5088 | |
| 590 | R | A | -2.6515 | |
| 591 | E | A | -3.1583 | |
| 592 | A | A | -2.0080 | |
| 593 | I | A | 0.0000 | |
| 594 | A | A | -1.2288 | |
| 595 | S | A | -1.4939 | |
| 596 | K | A | -1.4082 | |
| 597 | L | A | 0.0000 | |
| 598 | S | A | -0.9015 | |
| 599 | Q | A | -1.3957 | |
| 600 | S | A | -0.8441 | |
| 601 | I | A | 0.0000 | |
| 602 | L | A | -0.3829 | |
| 603 | S | A | -0.8911 | |
| 604 | S | A | -0.8561 | |
| 605 | N | A | -1.4068 | |
| 606 | E | A | -0.6422 | |
| 607 | V | A | 0.7821 | |
| 608 | M | A | 0.4310 | |
| 609 | R | A | -1.5738 | |
| 610 | L | A | 0.0000 | |
| 611 | K | A | -0.7140 | |
| 612 | S | A | -0.8152 | |
| 613 | G | A | 0.0000 | |
| 614 | T | A | 0.0000 | |
| 615 | E | A | -1.3087 | |
| 616 | N | A | 0.0000 | |
| 617 | M | A | 0.0000 | |
| 618 | I | A | -0.7901 | |
| 619 | K | A | -1.7023 | |
| 620 | L | A | 0.0000 | |
| 621 | G | A | -0.8375 | |
| 622 | L | A | -0.4408 | |
| 623 | P | A | -0.9694 | |
| 624 | E | A | -1.8625 | |
| 625 | Q | A | -1.4975 | |
| 626 | A | A | 0.0000 | |
| 627 | L | A | 0.0000 | |
| 628 | D | A | -1.4508 | |
| 629 | L | A | -0.8984 | |
| 630 | F | A | 0.0000 | |
| 631 | L | A | 0.0000 | |
| 632 | Q | A | -1.0734 | |
| 633 | N | A | 0.0000 | |
| 634 | R | A | 0.0000 | |
| 635 | S | A | -1.4963 | |
| 636 | N | A | -2.2245 | |
| 637 | L | A | -1.3711 | |
| 638 | I | A | 0.0000 | |
| 639 | Q | A | -1.8956 | |
| 640 | D | A | -1.7114 | |
| 641 | L | A | -0.2952 | |
| 642 | I | A | 0.0325 | |
| 643 | L | A | 0.6617 | |
| 644 | Q | A | -0.3600 | |
| 645 | I | A | 0.5652 | |
| 648 | V | A | 0.2370 | |
| 649 | D | A | -1.6954 | |
| 650 | N | A | -1.9529 | |
| 651 | P | A | -1.3100 | |
| 652 | T | A | -1.1207 | |
| 653 | N | A | -1.7701 | |
| 654 | Y | A | -0.6384 | |
| 655 | L | A | -0.0835 | |
| 656 | T | A | -0.6271 | |
| 657 | Q | A | -0.3008 | |
| 658 | L | A | 0.0000 | |
| 659 | A | A | 0.0000 | |
| 660 | V | A | 0.0379 | |
| 661 | I | A | 0.1646 | |
| 662 | R | A | 0.0000 | |
| 663 | F | A | 0.0000 | |
| 664 | Q | A | -1.4647 | |
| 665 | T | A | -1.2127 | |
| 666 | I | A | 0.0000 | |
| 667 | K | A | -2.0945 | |
| 668 | K | A | -2.7705 | |
| 669 | T | A | 0.0000 | |
| 670 | V | A | 0.0000 | |
| 671 | E | A | -3.2971 | |
| 672 | D | A | -2.3610 | |
| 673 | F | A | 0.0000 | |
| 674 | Q | A | -3.4100 | |
| 675 | D | A | -3.4787 | |
| 676 | I | A | 0.0000 | |
| 677 | F | A | 0.0000 | |
| 678 | K | A | -2.7897 | |
| 679 | K | A | -2.6224 | |
| 680 | L | A | -1.4939 | |
| 681 | S | A | -1.4985 | |
| 682 | G | A | -1.5037 | |
| 683 | K | A | -1.8303 | |
| 684 | I | A | -1.0706 | |
| 685 | S | A | -0.6634 | |
| 686 | S | A | -0.5405 | |
| 687 | I | A | -0.5211 | |
| 688 | L | A | 0.0000 | |
| 689 | V | A | 0.3708 | |
| 690 | D | A | -1.4231 | |
| 691 | W | A | 0.0000 | |
| 692 | C | A | 0.0000 | |
| 693 | S | A | -1.3414 | |
| 694 | D | A | -2.5062 | |
| 695 | E | A | 0.0000 | |
| 696 | V | A | 0.0000 | |
| 697 | D | A | -2.0554 | |
| 698 | K | A | -2.2861 | |
| 699 | H | A | 0.0000 | |
| 700 | F | A | 0.0000 | |
| 701 | K | A | -2.8693 | |
| 702 | L | A | -1.8406 | |
| 703 | I | A | -1.3950 | |
| 704 | D | A | -2.1427 | |
| 705 | K | A | -2.5601 | |
| 706 | Q | A | -1.8723 | |
| 707 | L | A | -1.2029 | |
| 708 | L | A | -0.3820 | |
| 709 | N | A | -1.5422 | |
| 710 | D | A | -2.1771 | |
| 714 | S | A | -1.1826 | |
| 715 | P | A | -1.1382 | |
| 716 | S | A | -1.1297 | |
| 717 | S | A | -0.8882 | |
| 718 | I | A | -0.9810 | |
| 719 | K | A | -2.4120 | |
| 720 | S | A | -1.9184 | |
| 721 | S | A | 0.0000 | |
| 722 | R | A | -2.5308 | |
| 723 | K | A | -3.2519 | |
| 724 | Q | A | -2.3216 | |
| 725 | I | A | 0.0000 | |
| 726 | D | A | -3.2380 | |
| 727 | G | A | -2.1720 | |
| 728 | L | A | 0.0000 | |
| 729 | K | A | -2.2763 | |
| 730 | A | A | -0.9957 | |
| 731 | V | A | -0.9048 | |
| 732 | G | A | -1.1178 | |
| 733 | L | A | -0.9096 | |
| 734 | D | A | -1.4260 | |
| 735 | F | A | 0.0000 | |
| 736 | V | A | -0.6753 | |
| 737 | Y | A | 0.5482 | |
| 738 | K | A | -0.6082 | |
| 739 | L | A | 0.0000 | |
| 740 | D | A | -1.3617 | |
| 741 | E | A | -2.4491 | |
| 742 | F | A | -1.7481 | |
| 743 | I | A | -1.6914 | |
| 744 | K | A | -3.3032 | |
| 745 | K | A | -3.2011 | |
| 746 | N | A | -2.4726 | |
| 747 | S | A | -2.6672 | |
| 748 | D | A | -3.1385 | |
| 749 | K | A | -2.7680 | |
| 750 | I | A | -1.6719 | |
| 751 | R | A | -2.5483 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -1.0128 | 4.5566 | View | CSV | PDB |
| 4.5 | -1.1189 | 4.5128 | View | CSV | PDB |
| 5.0 | -1.2496 | 4.4426 | View | CSV | PDB |
| 5.5 | -1.3792 | 4.3581 | View | CSV | PDB |
| 6.0 | -1.4804 | 4.2784 | View | CSV | PDB |
| 6.5 | -1.5359 | 4.2185 | View | CSV | PDB |
| 7.0 | -1.5471 | 4.1838 | View | CSV | PDB |
| 7.5 | -1.5281 | 4.1721 | View | CSV | PDB |
| 8.0 | -1.4918 | 4.1759 | View | CSV | PDB |
| 8.5 | -1.4419 | 4.1882 | View | CSV | PDB |
| 9.0 | -1.375 | 4.2071 | 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