| Chain sequence(s) | GADGVGSSSGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISNGTSGGSTNDNTYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTQNEGTKTIANNLTSTIQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFEFSYQFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLSRTQSTGGTQGTQQLLFSQAGPANMSAQAKNWLPGPCYRQQRVSTTLSQNNNSNFAWTGATKYHLNGRDSLVNPGVAMATHKDDEERFFPSSGVLMFGKQGAGRDNVDYSSVMLTSEEEIKTTNPVATEQYGVVADNLQQTNTGPIVGNVNSQGALPGMVWQNRDVYLQGPIWAKIPHTDGNFHPSPLMGGFGLKHPPPQILIKNTPVPADPPTTFSQAKLASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYYKSTNVDFAVNTEGTYSEPRPIGTRYLTRNL input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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 A 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. (00:00:02)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:03)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ceda113898450f/tmp/folded.pdb (00:00:03)
[INFO] Main: Simulation completed successfully. (00:02:41)
|
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 | |
| 218 | G | A | -1.0755 | |
| 219 | A | A | -1.0783 | |
| 220 | D | A | -1.7418 | |
| 221 | G | A | -0.7854 | |
| 222 | V | A | 0.7447 | |
| 223 | G | A | -0.2047 | |
| 224 | S | A | -0.5711 | |
| 225 | S | A | -1.0290 | |
| 226 | S | A | -1.3530 | |
| 227 | G | A | -1.3208 | |
| 228 | N | A | -1.1479 | |
| 229 | W | A | -0.2297 | |
| 230 | H | A | -1.1511 | |
| 231 | C | A | -0.9026 | |
| 232 | D | A | -1.7800 | |
| 233 | S | A | -0.7262 | |
| 234 | T | A | 0.0934 | |
| 235 | W | A | 0.6456 | |
| 236 | L | A | 1.0944 | |
| 237 | G | A | -0.5128 | |
| 238 | D | A | -1.4886 | |
| 239 | R | A | -0.8140 | |
| 240 | V | A | 0.0000 | |
| 241 | I | A | 0.0412 | |
| 242 | T | A | 0.0000 | |
| 243 | T | A | -0.6224 | |
| 244 | S | A | 0.0000 | |
| 245 | T | A | 0.0000 | |
| 246 | R | A | 0.0000 | |
| 247 | T | A | 0.4945 | |
| 248 | W | A | 0.0000 | |
| 249 | A | A | 0.6373 | |
| 250 | L | A | 0.0000 | |
| 251 | P | A | 0.2095 | |
| 252 | T | A | -0.3553 | |
| 253 | Y | A | -0.3676 | |
| 254 | N | A | -0.8108 | |
| 255 | N | A | -1.0059 | |
| 256 | H | A | -0.4498 | |
| 257 | L | A | -0.0765 | |
| 258 | Y | A | -0.1897 | |
| 259 | K | A | -1.0579 | |
| 260 | Q | A | -0.8117 | |
| 261 | I | A | 0.0604 | |
| 262 | S | A | -0.4799 | |
| 263 | N | A | -1.1361 | |
| 264 | G | A | -1.5010 | |
| 265 | T | A | -1.3744 | |
| 266 | S | A | -0.8590 | |
| 267 | G | A | -0.9800 | |
| 268 | G | A | -1.1038 | |
| 269 | S | A | -1.2998 | |
| 270 | T | A | -1.4867 | |
| 271 | N | A | -2.1906 | |
| 272 | D | A | -2.0386 | |
| 273 | N | A | -2.1015 | |
| 274 | T | A | 0.0000 | |
| 275 | Y | A | -0.0274 | |
| 276 | F | A | 0.0000 | |
| 277 | G | A | 0.0000 | |
| 278 | Y | A | 0.4324 | |
| 279 | S | A | -0.1156 | |
| 280 | T | A | 0.0000 | |
| 281 | P | A | 0.0000 | |
| 282 | W | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | Y | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | D | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | N | A | 0.0000 | |
| 289 | R | A | -0.6402 | |
| 290 | F | A | 0.0000 | |
| 291 | H | A | 0.0000 | |
| 292 | C | A | 0.0000 | |
| 293 | H | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | S | A | -0.7608 | |
| 296 | P | A | -0.9817 | |
| 297 | R | A | -1.8448 | |
| 298 | D | A | -1.2770 | |
| 299 | W | A | 0.0000 | |
| 300 | Q | A | -1.5100 | |
| 301 | R | A | -1.6426 | |
| 302 | L | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | N | A | -0.9504 | |
| 305 | N | A | -2.2464 | |
| 306 | N | A | 0.0000 | |
| 307 | W | A | -1.0254 | |
| 308 | G | A | 0.0000 | |
| 309 | F | A | 0.0000 | |
| 310 | R | A | -0.6762 | |
| 311 | P | A | 0.0000 | |
| 312 | K | A | -1.5344 | |
| 313 | R | A | -1.6134 | |
| 314 | L | A | 0.0000 | |
| 315 | N | A | -1.0837 | |
| 316 | F | A | 0.0000 | |
| 317 | K | A | -1.8349 | |
| 318 | L | A | 0.0000 | |
| 319 | F | A | 0.0000 | |
| 320 | N | A | -1.3288 | |
| 321 | I | A | 0.0000 | |
| 322 | Q | A | -1.0076 | |
| 323 | V | A | 0.0000 | |
| 324 | K | A | -0.5741 | |
| 325 | E | A | -0.0978 | |
| 326 | V | A | -0.1623 | |
| 327 | T | A | -1.1480 | |
| 328 | Q | A | -2.8669 | |
| 329 | N | A | -3.3102 | |
| 330 | E | A | -3.3152 | |
| 331 | G | A | -2.4573 | |
| 332 | T | A | -2.4984 | |
| 333 | K | A | -2.5201 | |
| 334 | T | A | -0.7182 | |
| 335 | I | A | 0.4804 | |
| 336 | A | A | 0.0577 | |
| 337 | N | A | -0.9410 | |
| 338 | N | A | -0.1496 | |
| 339 | L | A | 0.9382 | |
| 340 | T | A | 0.3181 | |
| 341 | S | A | 0.0000 | |
| 342 | T | A | -0.2244 | |
| 343 | I | A | 0.0000 | |
| 344 | Q | A | -0.4805 | |
| 345 | V | A | 0.0000 | |
| 346 | F | A | 0.0000 | |
| 347 | T | A | -0.5177 | |
| 348 | D | A | 0.0000 | |
| 349 | S | A | -1.3204 | |
| 350 | E | A | -2.2848 | |
| 351 | Y | A | -1.3739 | |
| 352 | Q | A | -1.4669 | |
| 353 | L | A | 0.0000 | |
| 354 | P | A | 0.2038 | |
| 355 | Y | A | 0.0551 | |
| 356 | V | A | 0.2981 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | -0.3036 | |
| 359 | S | A | -0.4882 | |
| 360 | A | A | -0.7341 | |
| 361 | H | A | -1.4555 | |
| 362 | Q | A | -1.7090 | |
| 363 | G | A | -0.8153 | |
| 364 | C | A | -0.4684 | |
| 365 | L | A | 0.0000 | |
| 366 | P | A | 0.2837 | |
| 367 | P | A | -0.0227 | |
| 368 | F | A | 0.6137 | |
| 369 | P | A | 0.2634 | |
| 370 | A | A | 0.1648 | |
| 371 | D | A | 0.2291 | |
| 372 | V | A | 1.6620 | |
| 373 | F | A | 0.0000 | |
| 374 | M | A | 1.3327 | |
| 375 | I | A | 0.0000 | |
| 376 | P | A | -0.3166 | |
| 377 | Q | A | -0.4002 | |
| 378 | Y | A | 0.0000 | |
| 379 | G | A | 0.0327 | |
| 380 | Y | A | 0.0000 | |
| 381 | L | A | 2.0365 | |
| 382 | T | A | 1.4291 | |
| 383 | L | A | 0.6933 | |
| 384 | N | A | -0.3802 | |
| 385 | N | A | -1.6102 | |
| 386 | G | A | -1.5051 | |
| 387 | S | A | -1.2984 | |
| 388 | Q | A | -1.4661 | |
| 389 | A | A | -0.8148 | |
| 390 | V | A | -0.5495 | |
| 391 | G | A | -1.0633 | |
| 392 | R | A | -1.5072 | |
| 393 | S | A | -0.0756 | |
| 394 | S | A | 0.7732 | |
| 395 | F | A | 1.8442 | |
| 396 | Y | A | 1.4427 | |
| 397 | C | A | 1.1643 | |
| 398 | L | A | 0.0000 | |
| 399 | E | A | -0.3036 | |
| 400 | Y | A | 1.0141 | |
| 401 | F | A | 0.3235 | |
| 402 | P | A | -0.2009 | |
| 403 | S | A | -0.4476 | |
| 404 | Q | A | -0.8409 | |
| 405 | M | A | -0.3803 | |
| 406 | L | A | 0.0000 | |
| 407 | R | A | -1.2331 | |
| 408 | T | A | -0.8873 | |
| 409 | G | A | -1.2511 | |
| 410 | N | A | -1.9179 | |
| 411 | N | A | -2.3703 | |
| 412 | F | A | 0.0000 | |
| 413 | E | A | -1.9640 | |
| 414 | F | A | -0.7488 | |
| 415 | S | A | -0.9252 | |
| 416 | Y | A | -0.8690 | |
| 417 | Q | A | -1.9914 | |
| 418 | F | A | 0.0000 | |
| 419 | E | A | -2.3976 | |
| 420 | D | A | -2.3086 | |
| 421 | V | A | 0.0000 | |
| 422 | P | A | -0.4775 | |
| 423 | F | A | 0.0972 | |
| 424 | H | A | 0.0000 | |
| 425 | S | A | 0.0189 | |
| 426 | S | A | 0.0000 | |
| 427 | Y | A | -0.1709 | |
| 428 | A | A | -0.6506 | |
| 429 | H | A | -0.9928 | |
| 430 | S | A | -1.0769 | |
| 431 | Q | A | -1.3078 | |
| 432 | S | A | -1.1490 | |
| 433 | L | A | 0.0000 | |
| 434 | D | A | -1.6195 | |
| 435 | R | A | -1.7062 | |
| 436 | L | A | -0.7066 | |
| 437 | M | A | -0.6094 | |
| 438 | N | A | -0.5985 | |
| 439 | P | A | 0.1475 | |
| 440 | L | A | 1.6195 | |
| 441 | I | A | 1.5591 | |
| 442 | D | A | -0.4782 | |
| 443 | Q | A | 0.3197 | |
| 444 | Y | A | 1.8489 | |
| 445 | L | A | 2.5302 | |
| 446 | Y | A | 2.9107 | |
| 447 | Y | A | 2.1412 | |
| 448 | L | A | 2.3048 | |
| 449 | S | A | 0.8414 | |
| 450 | R | A | -0.8360 | |
| 451 | T | A | -0.9432 | |
| 452 | Q | A | -2.5042 | |
| 453 | S | A | -1.9066 | |
| 454 | T | A | -1.4919 | |
| 455 | G | A | -1.0943 | |
| 456 | G | A | -1.3527 | |
| 457 | T | A | -1.0618 | |
| 458 | Q | A | -1.9249 | |
| 459 | G | A | -1.9747 | |
| 460 | T | A | -1.8551 | |
| 461 | Q | A | -2.3230 | |
| 462 | Q | A | -1.4214 | |
| 463 | L | A | 0.9867 | |
| 464 | L | A | 1.3202 | |
| 465 | F | A | 2.9129 | |
| 466 | S | A | 1.5565 | |
| 467 | Q | A | 0.4656 | |
| 468 | A | A | 0.0000 | |
| 469 | G | A | 0.0000 | |
| 470 | P | A | -0.4806 | |
| 471 | A | A | -0.9016 | |
| 472 | N | A | -1.3063 | |
| 473 | M | A | -1.1315 | |
| 474 | S | A | -0.8780 | |
| 475 | A | A | -0.1740 | |
| 476 | Q | A | 0.0000 | |
| 477 | A | A | -0.2277 | |
| 478 | K | A | -1.4060 | |
| 479 | N | A | -1.1657 | |
| 480 | W | A | 0.3983 | |
| 481 | L | A | 0.7323 | |
| 482 | P | A | 0.5167 | |
| 483 | G | A | 0.0000 | |
| 484 | P | A | 0.3291 | |
| 485 | C | A | 0.0000 | |
| 486 | Y | A | -0.3005 | |
| 487 | R | A | -1.1864 | |
| 488 | Q | A | 0.0000 | |
| 489 | Q | A | -1.2886 | |
| 490 | R | A | -1.3037 | |
| 491 | V | A | -0.4944 | |
| 492 | S | A | 0.0000 | |
| 493 | T | A | -0.0912 | |
| 494 | T | A | 0.2064 | |
| 495 | L | A | 0.6708 | |
| 496 | S | A | -0.4308 | |
| 497 | Q | A | -1.1870 | |
| 498 | N | A | -1.3311 | |
| 499 | N | A | -2.2284 | |
| 500 | N | A | -2.2377 | |
| 501 | S | A | -1.7180 | |
| 502 | N | A | -1.4977 | |
| 503 | F | A | -0.5404 | |
| 504 | A | A | 0.1136 | |
| 505 | W | A | 0.7006 | |
| 506 | T | A | 0.0991 | |
| 507 | G | A | -0.2876 | |
| 508 | A | A | 0.0672 | |
| 509 | T | A | -0.2705 | |
| 510 | K | A | -0.1586 | |
| 511 | Y | A | 0.5169 | |
| 512 | H | A | -0.6352 | |
| 513 | L | A | 0.1367 | |
| 514 | N | A | -1.3465 | |
| 515 | G | A | -1.2338 | |
| 516 | R | A | -1.7240 | |
| 517 | D | A | -1.3620 | |
| 518 | S | A | -0.4853 | |
| 519 | L | A | -0.0066 | |
| 520 | V | A | -0.0875 | |
| 521 | N | A | -0.7413 | |
| 522 | P | A | 0.0000 | |
| 523 | G | A | 0.0000 | |
| 524 | V | A | 0.8884 | |
| 525 | A | A | 0.6170 | |
| 526 | M | A | 0.0000 | |
| 527 | A | A | 0.0000 | |
| 528 | T | A | 0.0000 | |
| 529 | H | A | -1.9430 | |
| 530 | K | A | -2.6279 | |
| 531 | D | A | -3.5934 | |
| 532 | D | A | -3.4955 | |
| 533 | E | A | -2.9942 | |
| 534 | E | A | -3.1844 | |
| 535 | R | A | -1.6489 | |
| 536 | F | A | 0.0000 | |
| 537 | F | A | -0.6067 | |
| 538 | P | A | 0.0000 | |
| 539 | S | A | -0.5014 | |
| 540 | S | A | 0.0000 | |
| 541 | G | A | -0.3219 | |
| 542 | V | A | 0.0000 | |
| 543 | L | A | 0.4927 | |
| 544 | M | A | 0.8114 | |
| 545 | F | A | 0.2422 | |
| 546 | G | A | -0.9216 | |
| 547 | K | A | -1.9219 | |
| 548 | Q | A | -2.0541 | |
| 549 | G | A | -1.6768 | |
| 550 | A | A | -1.8926 | |
| 551 | G | A | -2.5670 | |
| 552 | R | A | -3.1506 | |
| 553 | D | A | -3.4544 | |
| 554 | N | A | -2.5936 | |
| 555 | V | A | -1.7082 | |
| 556 | D | A | -1.4485 | |
| 557 | Y | A | 0.4152 | |
| 558 | S | A | -0.1389 | |
| 559 | S | A | -0.6740 | |
| 560 | V | A | -0.0783 | |
| 561 | M | A | 0.0000 | |
| 562 | L | A | 0.8049 | |
| 563 | T | A | 0.0000 | |
| 564 | S | A | -0.3683 | |
| 565 | E | A | 0.0000 | |
| 566 | E | A | -1.4747 | |
| 567 | E | A | -1.0715 | |
| 568 | I | A | 0.0000 | |
| 569 | K | A | -1.4458 | |
| 570 | T | A | -0.9598 | |
| 571 | T | A | 0.0000 | |
| 572 | N | A | 0.0000 | |
| 573 | P | A | -0.2817 | |
| 574 | V | A | -0.5744 | |
| 575 | A | A | 0.0000 | |
| 576 | T | A | 0.0000 | |
| 577 | E | A | -1.4627 | |
| 578 | Q | A | -1.3849 | |
| 579 | Y | A | -0.6537 | |
| 580 | G | A | 0.1188 | |
| 581 | V | A | 1.5462 | |
| 582 | V | A | 2.2427 | |
| 583 | A | A | 1.3914 | |
| 584 | D | A | -0.2619 | |
| 585 | N | A | -0.0107 | |
| 586 | L | A | 0.4693 | |
| 587 | Q | A | -1.4840 | |
| 588 | Q | A | -2.1420 | |
| 589 | T | A | -1.7952 | |
| 590 | N | A | -2.0408 | |
| 591 | T | A | -1.3375 | |
| 592 | G | A | -0.9547 | |
| 593 | P | A | 0.2100 | |
| 594 | I | A | 2.2198 | |
| 595 | V | A | 2.6951 | |
| 596 | G | A | 0.7435 | |
| 597 | N | A | -0.6861 | |
| 598 | V | A | -0.4059 | |
| 599 | N | A | -1.8072 | |
| 600 | S | A | -1.1692 | |
| 601 | Q | A | -0.6731 | |
| 602 | G | A | -0.4314 | |
| 603 | A | A | 0.4940 | |
| 604 | L | A | 0.9180 | |
| 605 | P | A | 0.4986 | |
| 606 | G | A | 0.3441 | |
| 607 | M | A | 0.8732 | |
| 608 | V | A | 1.1320 | |
| 609 | W | A | 0.5214 | |
| 610 | Q | A | 0.0000 | |
| 611 | N | A | -0.1322 | |
| 612 | R | A | 0.0000 | |
| 613 | D | A | 0.0000 | |
| 614 | V | A | 0.0000 | |
| 615 | Y | A | 0.0000 | |
| 616 | L | A | 0.0000 | |
| 617 | Q | A | 0.0000 | |
| 618 | G | A | 0.0000 | |
| 619 | P | A | -0.2575 | |
| 620 | I | A | 0.0000 | |
| 621 | W | A | 0.0000 | |
| 622 | A | A | -0.3792 | |
| 623 | K | A | -1.1931 | |
| 624 | I | A | -1.3273 | |
| 625 | P | A | -1.6483 | |
| 626 | H | A | -2.1919 | |
| 627 | T | A | -1.8604 | |
| 628 | D | A | -2.5759 | |
| 629 | G | A | -1.7503 | |
| 630 | N | A | -1.3117 | |
| 631 | F | A | 0.8037 | |
| 632 | H | A | -0.2143 | |
| 633 | P | A | -0.4443 | |
| 634 | S | A | 0.0552 | |
| 635 | P | A | 0.4048 | |
| 636 | L | A | 1.1209 | |
| 637 | M | A | 0.6880 | |
| 638 | G | A | 0.0000 | |
| 639 | G | A | 0.0000 | |
| 640 | F | A | 0.0000 | |
| 641 | G | A | -0.6980 | |
| 642 | L | A | 0.0000 | |
| 643 | K | A | -2.5488 | |
| 644 | H | A | -2.2975 | |
| 645 | P | A | 0.0000 | |
| 646 | P | A | 0.0000 | |
| 647 | P | A | 0.0000 | |
| 648 | Q | A | 0.0000 | |
| 649 | I | A | 0.0000 | |
| 650 | L | A | 0.0000 | |
| 651 | I | A | 0.0000 | |
| 652 | K | A | 0.0000 | |
| 653 | N | A | 0.0000 | |
| 654 | T | A | 0.1008 | |
| 655 | P | A | 0.1915 | |
| 656 | V | A | 0.6026 | |
| 657 | P | A | 0.0804 | |
| 658 | A | A | -0.3402 | |
| 659 | D | A | -1.6947 | |
| 660 | P | A | -0.9974 | |
| 661 | P | A | -0.3784 | |
| 662 | T | A | -0.0783 | |
| 663 | T | A | 0.6725 | |
| 664 | F | A | 1.4299 | |
| 665 | S | A | -0.1104 | |
| 666 | Q | A | -1.1584 | |
| 667 | A | A | -0.9893 | |
| 668 | K | A | -1.6799 | |
| 669 | L | A | -0.4575 | |
| 670 | A | A | -0.1547 | |
| 671 | S | A | -0.1112 | |
| 672 | F | A | 0.7462 | |
| 673 | I | A | 0.7992 | |
| 674 | T | A | 0.1650 | |
| 675 | Q | A | 0.0000 | |
| 676 | Y | A | -0.0531 | |
| 677 | S | A | 0.0000 | |
| 678 | T | A | -0.0566 | |
| 679 | G | A | 0.0000 | |
| 680 | Q | A | -0.5397 | |
| 681 | V | A | 0.0000 | |
| 682 | S | A | 0.0000 | |
| 683 | V | A | 0.0000 | |
| 684 | E | A | -0.8117 | |
| 685 | I | A | 0.0000 | |
| 686 | E | A | -0.7570 | |
| 687 | W | A | 0.0000 | |
| 688 | E | A | -0.9877 | |
| 689 | L | A | 0.0000 | |
| 690 | Q | A | -1.9560 | |
| 691 | K | A | -3.0963 | |
| 692 | E | A | -2.5443 | |
| 693 | N | A | -2.7258 | |
| 694 | S | A | -2.2431 | |
| 695 | K | A | -2.3595 | |
| 696 | R | A | -1.9981 | |
| 697 | W | A | -0.4428 | |
| 698 | N | A | -1.1297 | |
| 699 | P | A | -0.5898 | |
| 700 | E | A | -0.0060 | |
| 701 | I | A | 1.3356 | |
| 702 | Q | A | 0.0062 | |
| 703 | Y | A | -0.0825 | |
| 704 | T | A | -0.1943 | |
| 705 | S | A | -0.2976 | |
| 706 | N | A | -0.5443 | |
| 707 | Y | A | 0.8387 | |
| 708 | Y | A | 0.6478 | |
| 709 | K | A | -1.0120 | |
| 710 | S | A | -0.8098 | |
| 711 | T | A | -0.8198 | |
| 712 | N | A | -0.6558 | |
| 713 | V | A | 0.6012 | |
| 714 | D | A | -0.2740 | |
| 715 | F | A | 0.0413 | |
| 716 | A | A | 0.6230 | |
| 717 | V | A | 0.4553 | |
| 718 | N | A | -0.6698 | |
| 719 | T | A | -1.2368 | |
| 720 | E | A | -2.0220 | |
| 721 | G | A | -1.1746 | |
| 722 | T | A | -0.8853 | |
| 723 | Y | A | 0.0000 | |
| 724 | S | A | -0.5563 | |
| 725 | E | A | -0.7034 | |
| 726 | P | A | -0.9610 | |
| 727 | R | A | -1.0463 | |
| 728 | P | A | -0.4756 | |
| 729 | I | A | 0.0000 | |
| 730 | G | A | -0.1969 | |
| 731 | T | A | 0.0000 | |
| 732 | R | A | 0.0000 | |
| 733 | Y | A | 0.2712 | |
| 734 | L | A | 0.0000 | |
| 735 | T | A | -0.5703 | |
| 736 | R | A | -1.7296 | |
| 737 | N | A | -1.5260 | |
| 738 | L | A | -0.2663 |
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 | -0.0624 | 5.024 | View | CSV | PDB |
| 4.5 | -0.1037 | 4.9265 | View | CSV | PDB |
| 5.0 | -0.1512 | 4.8378 | View | CSV | PDB |
| 5.5 | -0.1977 | 4.8378 | View | CSV | PDB |
| 6.0 | -0.2358 | 4.8378 | View | CSV | PDB |
| 6.5 | -0.2603 | 4.8378 | View | CSV | PDB |
| 7.0 | -0.2728 | 4.8378 | View | CSV | PDB |
| 7.5 | -0.2783 | 4.8378 | View | CSV | PDB |
| 8.0 | -0.2792 | 4.8377 | View | CSV | PDB |
| 8.5 | -0.2742 | 4.8376 | View | CSV | PDB |
| 9.0 | -0.2612 | 4.837 | 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