| Chain sequence(s) |
A: DGVGSSSGNWHCDSQWLGDRVITTSTRTWALPTYNNHLYKQISNSTSGGSSNDNAYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTDNNGVKTIANNLTSTVQVFTDSDYQLPYVLGSAHEGCLPPFPADVFMIPQYGYLTLNDGSQAVGRSSFYCLEYFPSQMLRTGNNFQFSYEFENVPFHSSYAHSQSLDRLMNPLIDQYLYYLSKTINGSGQNQQTLKFSVAGPSNMAVQGRNYIPGPSYRQQRVSTTVTQNNNSEFAWPGASSWALNGRNSLMNPGPAMASHKEGEDRFFPLSGSLIFGKQGTGRDNVDADKVMITNEEEIKTTNPVATESYGQVATNHQSAQAQAQTGWVQNQGILPGMVWQDRDVYLQGPIWAKIPHTDGNFHPSPLMGGFGMKHPPPQILIKNTPVPADPPTAFNKDKLNSFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYYKSNNVEFAVNTEGVYSEPRPIGTRYLTRNL
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7f2c79d27628c0d/tmp/folded.pdb (00:09:38)
[INFO] Main: Simulation completed successfully. (00:17:29)
|
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 |
|---|---|---|---|---|
| 219 | D | A | -1.8508 | |
| 220 | G | A | -0.7540 | |
| 221 | V | A | 0.7759 | |
| 222 | G | A | -0.0620 | |
| 223 | S | A | -0.5627 | |
| 224 | S | A | -0.9157 | |
| 225 | S | A | -1.1201 | |
| 226 | G | A | -1.1115 | |
| 227 | N | A | -1.2323 | |
| 228 | W | A | -0.3650 | |
| 229 | H | A | -1.2668 | |
| 230 | C | A | -1.1177 | |
| 231 | D | A | -2.1441 | |
| 232 | S | A | -1.4846 | |
| 233 | Q | A | -1.4029 | |
| 234 | W | A | -0.7453 | |
| 235 | L | A | -0.3025 | |
| 236 | G | A | -1.5634 | |
| 237 | D | A | -2.7138 | |
| 238 | R | A | -2.1164 | |
| 239 | V | A | 0.0000 | |
| 240 | I | A | -1.0316 | |
| 241 | T | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | R | A | 0.0000 | |
| 246 | T | A | 0.3709 | |
| 247 | W | A | 0.0000 | |
| 248 | A | A | 0.6725 | |
| 249 | L | A | 0.0000 | |
| 250 | P | A | 0.0677 | |
| 251 | T | A | -0.3187 | |
| 252 | Y | A | -0.3931 | |
| 253 | N | A | -1.0998 | |
| 254 | N | A | -1.6223 | |
| 255 | H | A | -0.9148 | |
| 256 | L | A | -0.7503 | |
| 257 | Y | A | -0.7037 | |
| 258 | K | A | -1.9090 | |
| 259 | Q | A | -1.1726 | |
| 260 | I | A | -0.3918 | |
| 261 | S | A | 0.0000 | |
| 262 | N | A | 0.0000 | |
| 263 | S | A | -0.7421 | |
| 264 | T | A | -0.5343 | |
| 265 | S | A | -0.5512 | |
| 266 | G | A | -0.8811 | |
| 267 | G | A | -1.2315 | |
| 268 | S | A | -1.3995 | |
| 269 | S | A | -1.6967 | |
| 270 | N | A | -2.7278 | |
| 271 | D | A | -2.2387 | |
| 272 | N | A | -2.3226 | |
| 273 | A | A | -1.9750 | |
| 274 | Y | A | -0.5150 | |
| 275 | F | A | 0.0000 | |
| 276 | G | A | 0.0000 | |
| 277 | Y | A | 0.1155 | |
| 278 | S | A | -0.4787 | |
| 279 | T | A | 0.0000 | |
| 280 | P | A | 0.0000 | |
| 281 | W | A | 0.0000 | |
| 282 | G | A | 0.0000 | |
| 283 | Y | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | D | A | 0.0000 | |
| 286 | F | A | 0.0000 | |
| 287 | N | A | 0.0000 | |
| 288 | R | A | -0.7849 | |
| 289 | F | A | 0.0000 | |
| 290 | H | A | 0.0000 | |
| 291 | C | A | 0.0000 | |
| 292 | H | A | 0.0000 | |
| 293 | F | A | 0.0000 | |
| 294 | S | A | -1.1724 | |
| 295 | P | A | -1.3119 | |
| 296 | R | A | -2.4326 | |
| 297 | D | A | -2.1118 | |
| 298 | W | A | 0.0000 | |
| 299 | Q | A | -1.9441 | |
| 300 | R | A | -2.5386 | |
| 301 | L | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | N | A | -1.1409 | |
| 304 | N | A | -2.4921 | |
| 305 | N | A | 0.0000 | |
| 306 | W | A | -1.3990 | |
| 307 | G | A | 0.0000 | |
| 308 | F | A | 0.0000 | |
| 309 | R | A | -0.9730 | |
| 310 | P | A | 0.0000 | |
| 311 | K | A | -2.6650 | |
| 312 | R | A | -3.2501 | |
| 313 | L | A | 0.0000 | |
| 314 | N | A | -1.5015 | |
| 315 | F | A | 0.0000 | |
| 316 | K | A | -1.4062 | |
| 317 | L | A | 0.0000 | |
| 318 | F | A | 0.0000 | |
| 319 | N | A | -1.0105 | |
| 320 | I | A | 0.0000 | |
| 321 | Q | A | -1.0904 | |
| 322 | V | A | 0.0000 | |
| 323 | K | A | -0.5737 | |
| 324 | E | A | -0.1865 | |
| 325 | V | A | -0.5081 | |
| 326 | T | A | -1.2557 | |
| 327 | D | A | -2.8490 | |
| 328 | N | A | -2.7448 | |
| 329 | N | A | -2.2643 | |
| 330 | G | A | -1.6521 | |
| 331 | V | A | -0.6989 | |
| 332 | K | A | -1.9585 | |
| 333 | T | A | -0.4931 | |
| 334 | I | A | 0.3669 | |
| 335 | A | A | -0.0227 | |
| 336 | N | A | -1.0548 | |
| 337 | N | A | -0.6337 | |
| 338 | L | A | 0.2452 | |
| 339 | T | A | -0.0808 | |
| 340 | S | A | 0.0000 | |
| 341 | T | A | -0.6031 | |
| 342 | V | A | 0.0000 | |
| 343 | Q | A | -0.3379 | |
| 344 | V | A | 0.0000 | |
| 345 | F | A | 0.0000 | |
| 346 | T | A | -0.3521 | |
| 347 | D | A | 0.0000 | |
| 348 | S | A | -1.3500 | |
| 349 | D | A | -2.3202 | |
| 350 | Y | A | -1.6925 | |
| 351 | Q | A | -1.5998 | |
| 352 | L | A | 0.0000 | |
| 353 | P | A | 0.1857 | |
| 354 | Y | A | 0.0229 | |
| 355 | V | A | 0.3428 | |
| 356 | L | A | 0.0000 | |
| 357 | G | A | -0.3792 | |
| 358 | S | A | -0.5443 | |
| 359 | A | A | -0.7550 | |
| 360 | H | A | -1.4746 | |
| 361 | E | A | -2.1749 | |
| 362 | G | A | -0.9683 | |
| 363 | C | A | -0.5846 | |
| 364 | L | A | 0.0000 | |
| 365 | P | A | -0.1786 | |
| 366 | P | A | -0.2402 | |
| 367 | F | A | 0.3980 | |
| 368 | P | A | -0.0566 | |
| 369 | A | A | -0.2546 | |
| 370 | D | A | -0.5790 | |
| 371 | V | A | 1.1615 | |
| 372 | F | A | 0.0000 | |
| 373 | M | A | 1.1578 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.3603 | |
| 376 | Q | A | -0.3709 | |
| 377 | Y | A | 0.0000 | |
| 378 | G | A | -0.0567 | |
| 379 | Y | A | 0.0000 | |
| 380 | L | A | 1.8042 | |
| 381 | T | A | 1.1738 | |
| 382 | L | A | -0.0044 | |
| 383 | N | A | -0.9440 | |
| 384 | D | A | -2.3355 | |
| 385 | G | A | -2.0634 | |
| 386 | S | A | -1.5601 | |
| 387 | Q | A | -1.6257 | |
| 388 | A | A | -0.9818 | |
| 389 | V | A | -0.6021 | |
| 390 | G | A | -0.9118 | |
| 391 | R | A | -1.5296 | |
| 392 | S | A | -0.3430 | |
| 393 | S | A | 0.8363 | |
| 394 | F | A | 1.9967 | |
| 395 | Y | A | 1.4408 | |
| 396 | C | A | 1.0117 | |
| 397 | L | A | 0.0000 | |
| 398 | E | A | -0.0814 | |
| 399 | Y | A | 1.0923 | |
| 400 | F | A | 0.4024 | |
| 401 | P | A | -0.0436 | |
| 402 | S | A | -0.1990 | |
| 403 | Q | A | -0.3734 | |
| 404 | M | A | -0.0464 | |
| 405 | L | A | 0.0000 | |
| 406 | R | A | -1.6280 | |
| 407 | T | A | -1.2368 | |
| 408 | G | A | -1.1477 | |
| 409 | N | A | -1.4626 | |
| 410 | N | A | -1.7655 | |
| 411 | F | A | 0.0000 | |
| 412 | Q | A | -1.5519 | |
| 413 | F | A | -0.5856 | |
| 414 | S | A | -1.2433 | |
| 415 | Y | A | -1.5604 | |
| 416 | E | A | -3.1729 | |
| 417 | F | A | 0.0000 | |
| 418 | E | A | -2.5385 | |
| 419 | N | A | -1.9405 | |
| 420 | V | A | 0.0000 | |
| 421 | P | A | -0.4354 | |
| 422 | F | A | -0.0370 | |
| 423 | H | A | 0.0000 | |
| 424 | S | A | -0.1060 | |
| 425 | S | A | 0.0000 | |
| 426 | Y | A | 0.0000 | |
| 427 | A | A | 0.0000 | |
| 428 | H | A | -1.1986 | |
| 429 | S | A | -1.1819 | |
| 430 | Q | A | -1.1330 | |
| 431 | S | A | -1.0847 | |
| 432 | L | A | 0.0000 | |
| 433 | D | A | -1.1769 | |
| 434 | R | A | -1.4500 | |
| 435 | L | A | -0.2115 | |
| 436 | M | A | -0.0970 | |
| 437 | N | A | 0.0547 | |
| 438 | P | A | 0.3565 | |
| 439 | L | A | 1.7898 | |
| 440 | I | A | 1.7185 | |
| 441 | D | A | -0.0671 | |
| 442 | Q | A | 0.5071 | |
| 443 | Y | A | 1.7587 | |
| 444 | L | A | 2.0231 | |
| 445 | Y | A | 2.7735 | |
| 446 | Y | A | 2.0557 | |
| 447 | L | A | 1.9833 | |
| 448 | S | A | 0.9258 | |
| 449 | K | A | -0.6890 | |
| 450 | T | A | -0.1014 | |
| 451 | I | A | -0.6751 | |
| 452 | N | A | -1.6749 | |
| 453 | G | A | -1.3677 | |
| 454 | S | A | -1.1943 | |
| 455 | G | A | -1.7502 | |
| 456 | Q | A | -2.2650 | |
| 457 | N | A | -2.5191 | |
| 458 | Q | A | -2.1778 | |
| 459 | Q | A | -1.8324 | |
| 460 | T | A | -0.5941 | |
| 461 | L | A | 1.0602 | |
| 462 | K | A | 0.3581 | |
| 463 | F | A | 2.4394 | |
| 464 | S | A | 1.6052 | |
| 465 | V | A | 1.8362 | |
| 466 | A | A | 0.0000 | |
| 467 | G | A | 0.0000 | |
| 468 | P | A | 0.0828 | |
| 469 | S | A | -0.1837 | |
| 470 | N | A | -0.4915 | |
| 471 | M | A | -0.4337 | |
| 472 | A | A | -0.1748 | |
| 473 | V | A | 0.6913 | |
| 474 | Q | A | 0.0000 | |
| 475 | G | A | -0.2950 | |
| 476 | R | A | -1.0775 | |
| 477 | N | A | -1.1388 | |
| 478 | Y | A | 0.3916 | |
| 479 | I | A | 0.7807 | |
| 480 | P | A | 0.6014 | |
| 481 | G | A | 0.0000 | |
| 482 | P | A | 0.2546 | |
| 483 | S | A | 0.0000 | |
| 484 | Y | A | -0.8854 | |
| 485 | R | A | -1.6327 | |
| 486 | Q | A | 0.0000 | |
| 487 | Q | A | -1.3914 | |
| 488 | R | A | -1.6042 | |
| 489 | V | A | -0.5913 | |
| 490 | S | A | 0.0000 | |
| 491 | T | A | -0.2747 | |
| 492 | T | A | 0.3036 | |
| 493 | V | A | 0.8647 | |
| 494 | T | A | -0.2858 | |
| 495 | Q | A | -1.1678 | |
| 496 | N | A | -1.4127 | |
| 497 | N | A | -2.3513 | |
| 498 | N | A | -2.3638 | |
| 499 | S | A | -2.0603 | |
| 500 | E | A | -2.1312 | |
| 501 | F | A | -0.8961 | |
| 502 | A | A | -0.0391 | |
| 503 | W | A | 0.5741 | |
| 504 | P | A | -0.1474 | |
| 505 | G | A | -0.4718 | |
| 506 | A | A | -0.1787 | |
| 507 | S | A | -0.1955 | |
| 508 | S | A | 0.1387 | |
| 509 | W | A | 0.5623 | |
| 510 | A | A | 0.1718 | |
| 511 | L | A | 0.5220 | |
| 512 | N | A | -1.1812 | |
| 513 | G | A | -1.2502 | |
| 514 | R | A | -1.6353 | |
| 515 | N | A | -1.1616 | |
| 516 | S | A | -0.3826 | |
| 517 | L | A | 0.1278 | |
| 518 | M | A | -0.1194 | |
| 519 | N | A | -0.5989 | |
| 520 | P | A | 0.0000 | |
| 521 | G | A | 0.0000 | |
| 522 | P | A | 0.0033 | |
| 523 | A | A | 0.0374 | |
| 524 | M | A | 0.0000 | |
| 525 | A | A | 0.0000 | |
| 526 | S | A | 0.0000 | |
| 527 | H | A | 0.0000 | |
| 528 | K | A | -3.0932 | |
| 529 | E | A | -3.3781 | |
| 530 | G | A | -2.6254 | |
| 531 | E | A | -2.6474 | |
| 532 | D | A | -3.2063 | |
| 533 | R | A | -1.4198 | |
| 534 | F | A | 0.0000 | |
| 535 | F | A | -0.7053 | |
| 536 | P | A | 0.0000 | |
| 537 | L | A | -0.1892 | |
| 538 | S | A | -0.0859 | |
| 539 | G | A | 0.0000 | |
| 540 | S | A | 0.0000 | |
| 541 | L | A | 0.0000 | |
| 542 | I | A | 2.2166 | |
| 543 | F | A | 0.6839 | |
| 544 | G | A | -1.3818 | |
| 545 | K | A | -2.4373 | |
| 546 | Q | A | -2.2374 | |
| 547 | G | A | -1.8665 | |
| 548 | T | A | -2.5557 | |
| 549 | G | A | -2.7822 | |
| 550 | R | A | -3.1670 | |
| 551 | D | A | -3.4257 | |
| 552 | N | A | -2.6747 | |
| 553 | V | A | -2.5361 | |
| 554 | D | A | -3.0141 | |
| 555 | A | A | -1.9061 | |
| 556 | D | A | -3.0509 | |
| 557 | K | A | -3.4761 | |
| 558 | V | A | -1.3224 | |
| 559 | M | A | 0.0000 | |
| 560 | I | A | 1.3177 | |
| 561 | T | A | 0.0000 | |
| 562 | N | A | -1.3657 | |
| 563 | E | A | 0.0000 | |
| 564 | E | A | -2.5294 | |
| 565 | E | A | -2.2879 | |
| 566 | I | A | 0.0000 | |
| 567 | K | A | -2.2122 | |
| 568 | T | A | -1.3186 | |
| 569 | T | A | 0.0000 | |
| 570 | N | A | 0.0000 | |
| 571 | P | A | -0.4318 | |
| 572 | V | A | -0.8837 | |
| 573 | A | A | 0.0000 | |
| 574 | T | A | 0.0000 | |
| 575 | E | A | -1.4317 | |
| 576 | S | A | -0.7906 | |
| 577 | Y | A | -0.3824 | |
| 578 | G | A | -0.2845 | |
| 579 | Q | A | -0.1567 | |
| 580 | V | A | 1.0546 | |
| 581 | A | A | -0.1698 | |
| 582 | T | A | -0.6698 | |
| 583 | N | A | -1.6971 | |
| 584 | H | A | -2.3600 | |
| 585 | Q | A | -2.7169 | |
| 586 | S | A | -1.6446 | |
| 587 | A | A | -1.3960 | |
| 588 | Q | A | -1.7703 | |
| 589 | A | A | -1.9999 | |
| 590 | Q | A | -2.4367 | |
| 591 | A | A | -2.1192 | |
| 592 | Q | A | -1.9780 | |
| 593 | T | A | -0.4446 | |
| 594 | G | A | 0.1792 | |
| 595 | W | A | 0.6980 | |
| 596 | V | A | -0.1481 | |
| 597 | Q | A | -1.3047 | |
| 598 | N | A | -1.6978 | |
| 599 | Q | A | -0.7715 | |
| 600 | G | A | -0.0838 | |
| 601 | I | A | 1.3781 | |
| 602 | L | A | 0.9891 | |
| 603 | P | A | 0.5142 | |
| 604 | G | A | 0.3462 | |
| 605 | M | A | 0.0000 | |
| 606 | V | A | 1.1296 | |
| 607 | W | A | 0.2633 | |
| 608 | Q | A | -0.5108 | |
| 609 | D | A | -0.4133 | |
| 610 | R | A | 0.0000 | |
| 611 | D | A | 0.0000 | |
| 612 | V | A | 0.0000 | |
| 613 | Y | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | Q | A | 0.0000 | |
| 616 | G | A | 0.0000 | |
| 617 | P | A | -0.3154 | |
| 618 | I | A | 0.0000 | |
| 619 | W | A | 0.0000 | |
| 620 | A | A | -0.5115 | |
| 621 | K | A | -1.2993 | |
| 622 | I | A | -1.4434 | |
| 623 | P | A | -1.6786 | |
| 624 | H | A | -2.2151 | |
| 625 | T | A | -1.8826 | |
| 626 | D | A | -2.5481 | |
| 627 | G | A | -1.7699 | |
| 628 | N | A | -1.2093 | |
| 629 | F | A | 1.0390 | |
| 630 | H | A | 0.0836 | |
| 631 | P | A | -0.2466 | |
| 632 | S | A | 0.1298 | |
| 633 | P | A | 0.2734 | |
| 634 | L | A | 0.8260 | |
| 635 | M | A | 0.5469 | |
| 636 | G | A | 0.0000 | |
| 637 | G | A | 0.0131 | |
| 638 | F | A | 0.0000 | |
| 639 | G | A | -0.9279 | |
| 640 | M | A | 0.0000 | |
| 641 | K | A | -2.5909 | |
| 642 | H | A | -2.5959 | |
| 643 | P | A | 0.0000 | |
| 644 | P | A | 0.0000 | |
| 645 | P | A | 0.0000 | |
| 646 | Q | A | 0.0000 | |
| 647 | I | A | 0.0000 | |
| 648 | L | A | 0.0000 | |
| 649 | I | A | 0.0000 | |
| 650 | K | A | 0.0000 | |
| 651 | N | A | 0.0000 | |
| 652 | T | A | 0.1298 | |
| 653 | P | A | 0.0393 | |
| 654 | V | A | 0.3317 | |
| 655 | P | A | -0.2099 | |
| 656 | A | A | -0.6679 | |
| 657 | D | A | -1.7301 | |
| 658 | P | A | -1.0842 | |
| 659 | P | A | -0.5018 | |
| 660 | T | A | -0.1374 | |
| 661 | A | A | 0.5611 | |
| 662 | F | A | 0.6490 | |
| 663 | N | A | -1.9512 | |
| 664 | K | A | -3.0888 | |
| 665 | D | A | -3.6321 | |
| 666 | K | A | -3.2373 | |
| 667 | L | A | -1.9308 | |
| 668 | N | A | -1.8042 | |
| 669 | S | A | -0.9034 | |
| 670 | F | A | 0.0074 | |
| 671 | I | A | 0.5288 | |
| 672 | T | A | -0.0445 | |
| 673 | Q | A | 0.0000 | |
| 674 | Y | A | 0.1056 | |
| 675 | S | A | 0.0000 | |
| 676 | T | A | 0.0338 | |
| 677 | G | A | 0.0000 | |
| 678 | Q | A | -0.3398 | |
| 679 | V | A | 0.0000 | |
| 680 | S | A | 0.0000 | |
| 681 | V | A | 0.0000 | |
| 682 | E | A | -1.5113 | |
| 683 | I | A | 0.0000 | |
| 684 | E | A | -1.8210 | |
| 685 | W | A | 0.0000 | |
| 686 | E | A | -1.8438 | |
| 687 | L | A | 0.0000 | |
| 688 | Q | A | -2.5555 | |
| 689 | K | A | -3.5846 | |
| 690 | E | A | -3.1275 | |
| 691 | N | A | -2.9181 | |
| 692 | S | A | -2.3132 | |
| 693 | K | A | -2.2557 | |
| 694 | R | A | -1.5197 | |
| 695 | W | A | 0.1180 | |
| 696 | N | A | -0.2537 | |
| 697 | P | A | -0.1259 | |
| 698 | E | A | 0.3335 | |
| 699 | I | A | 1.5475 | |
| 700 | Q | A | 0.0594 | |
| 701 | Y | A | -0.1416 | |
| 702 | T | A | -0.3508 | |
| 703 | S | A | -0.2639 | |
| 704 | N | A | -0.5028 | |
| 705 | Y | A | 0.8351 | |
| 706 | Y | A | 0.6445 | |
| 707 | K | A | -1.2601 | |
| 708 | S | A | -1.4236 | |
| 709 | N | A | -2.0749 | |
| 710 | N | A | -1.3408 | |
| 711 | V | A | 0.3944 | |
| 712 | E | A | -0.2065 | |
| 713 | F | A | 0.1151 | |
| 714 | A | A | 0.7974 | |
| 715 | V | A | 0.7152 | |
| 716 | N | A | -0.7295 | |
| 717 | T | A | -1.2861 | |
| 718 | E | A | -1.8432 | |
| 719 | G | A | -0.8706 | |
| 720 | V | A | -0.2823 | |
| 721 | Y | A | 0.0049 | |
| 722 | S | A | -0.2659 | |
| 723 | E | A | -0.7433 | |
| 724 | P | A | -0.7381 | |
| 725 | R | A | -0.7583 | |
| 726 | P | A | -0.1911 | |
| 727 | I | A | 0.0000 | |
| 728 | G | A | -0.3966 | |
| 729 | T | A | 0.0000 | |
| 730 | R | A | 0.0000 | |
| 731 | Y | A | 0.2061 | |
| 732 | L | A | 0.0000 | |
| 733 | T | A | 0.0000 | |
| 734 | R | A | -1.8245 | |
| 735 | N | A | -1.3708 | |
| 736 | L | A | -0.0548 |
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 | -0.2034 | 4.3117 | View | CSV | PDB |
| 4.5 | -0.2491 | 4.1322 | View | CSV | PDB |
| 5.0 | -0.3044 | 3.9326 | View | CSV | PDB |
| 5.5 | -0.3594 | 3.9326 | View | CSV | PDB |
| 6.0 | -0.4042 | 3.9326 | View | CSV | PDB |
| 6.5 | -0.4319 | 3.9326 | View | CSV | PDB |
| 7.0 | -0.4437 | 4.1234 | View | CSV | PDB |
| 7.5 | -0.4459 | 4.3567 | View | CSV | PDB |
| 8.0 | -0.443 | 4.6056 | View | CSV | PDB |
| 8.5 | -0.4349 | 4.8595 | View | CSV | PDB |
| 9.0 | -0.4189 | 5.1133 | 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