| Chain sequence(s) | GVGNASGDWHCDSTWSEGKVTTTSTRTWVLPTYNNHLYLRLGTTSNSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGLRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGIVTGENQNQTDRNAFYCLEYFPSQMLRTGNNFEMAYNFEKVPFHSMYAHSQSLDRLMNPLLDQYLWHLQSTTSGETLNQGNAATTFGKIRSGDFAFYRKNWLPGPCVKQQRFSKTASQNYKIPASGGNALLKYDTHYTLNNRWSNIAPGPPMATAGPSDGDFSNAQLIFPGPSVTGNTTTSANNLLFTSEEEIAATNPRDTDMFGQIADNNQNATTAPITGNVTAMGVLPGMVWQNRDIYYQGPIWAKIPHADGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFTAARVDSFITQYSTGQVAVQIEWEIEKERSKRWNPEVQFTSNYGNQSSMLWAPDTTGKYTEPRVIGSRYLTNHL 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/36878ac5a5bc4a/tmp/folded.pdb (00:00:03)
[INFO] Main: Simulation completed successfully. (00:02:35)
|
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 | |
| 214 | G | A | -0.4595 | |
| 215 | V | A | 0.8014 | |
| 216 | G | A | -0.3841 | |
| 217 | N | A | -1.2373 | |
| 218 | A | A | -1.0531 | |
| 219 | S | A | -1.0673 | |
| 220 | G | A | -1.3444 | |
| 221 | D | A | -1.6692 | |
| 222 | W | A | -0.6715 | |
| 223 | H | A | -1.2065 | |
| 224 | C | A | -0.9816 | |
| 225 | D | A | -1.7929 | |
| 226 | S | A | -0.9734 | |
| 227 | T | A | -0.5080 | |
| 228 | W | A | -0.6104 | |
| 229 | S | A | -1.2715 | |
| 230 | E | A | -2.4729 | |
| 231 | G | A | -2.0744 | |
| 232 | K | A | -2.0117 | |
| 233 | V | A | 0.0000 | |
| 234 | T | A | -0.8249 | |
| 235 | T | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | S | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | R | A | 0.0000 | |
| 240 | T | A | 0.4533 | |
| 241 | W | A | 0.0000 | |
| 242 | V | A | 1.1842 | |
| 243 | L | A | 0.0000 | |
| 244 | P | A | 0.1877 | |
| 245 | T | A | -0.3168 | |
| 246 | Y | A | -0.3889 | |
| 247 | N | A | -0.6267 | |
| 248 | N | A | -1.4937 | |
| 249 | H | A | -0.6056 | |
| 250 | L | A | -0.0373 | |
| 251 | Y | A | 0.3975 | |
| 252 | L | A | 0.1595 | |
| 253 | R | A | -0.9432 | |
| 254 | L | A | -0.0938 | |
| 255 | G | A | -0.3860 | |
| 256 | T | A | -0.6076 | |
| 257 | T | A | -1.3812 | |
| 258 | S | A | -1.5366 | |
| 259 | N | A | -2.3816 | |
| 260 | S | A | -1.8352 | |
| 261 | N | A | -1.8444 | |
| 262 | T | A | 0.0000 | |
| 263 | Y | A | 0.1351 | |
| 264 | N | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | F | A | 0.4204 | |
| 267 | S | A | 0.0957 | |
| 268 | T | A | 0.0000 | |
| 269 | P | A | 0.0000 | |
| 270 | W | A | 0.0000 | |
| 271 | G | A | 0.0000 | |
| 272 | Y | A | 0.0000 | |
| 273 | F | A | 0.0000 | |
| 274 | D | A | 0.0000 | |
| 275 | F | A | 0.0000 | |
| 276 | N | A | 0.0000 | |
| 277 | R | A | -1.0299 | |
| 278 | F | A | 0.0000 | |
| 279 | H | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | H | A | 0.0000 | |
| 282 | F | A | 0.0000 | |
| 283 | S | A | -0.8736 | |
| 284 | P | A | -0.9386 | |
| 285 | R | A | -1.7156 | |
| 286 | D | A | 0.0000 | |
| 287 | W | A | 0.0000 | |
| 288 | Q | A | -1.4955 | |
| 289 | R | A | -1.5822 | |
| 290 | L | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | N | A | -1.0109 | |
| 293 | N | A | -2.1047 | |
| 294 | N | A | 0.0000 | |
| 295 | W | A | -1.0133 | |
| 296 | G | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | R | A | -1.0467 | |
| 299 | P | A | 0.0000 | |
| 300 | K | A | -1.8515 | |
| 301 | A | A | -1.4455 | |
| 302 | M | A | 0.0000 | |
| 303 | R | A | -1.7563 | |
| 304 | V | A | 0.0000 | |
| 305 | K | A | -1.3198 | |
| 306 | I | A | 0.0000 | |
| 307 | F | A | 0.0000 | |
| 308 | N | A | -1.0444 | |
| 309 | I | A | 0.0000 | |
| 310 | Q | A | -0.7089 | |
| 311 | V | A | 0.0000 | |
| 312 | K | A | -0.5043 | |
| 313 | E | A | -0.3090 | |
| 314 | V | A | 0.3987 | |
| 315 | T | A | -0.0963 | |
| 316 | T | A | -0.7809 | |
| 317 | S | A | -1.3520 | |
| 318 | N | A | -2.1979 | |
| 319 | G | A | -2.0380 | |
| 320 | E | A | -2.4309 | |
| 321 | T | A | -1.0639 | |
| 322 | T | A | -0.1037 | |
| 323 | V | A | 0.7883 | |
| 324 | A | A | 0.0195 | |
| 325 | N | A | -0.9206 | |
| 326 | N | A | -0.3773 | |
| 327 | L | A | 0.7901 | |
| 328 | T | A | 0.2380 | |
| 329 | S | A | 0.0000 | |
| 330 | T | A | -0.2412 | |
| 331 | V | A | 0.0000 | |
| 332 | Q | A | 0.0000 | |
| 333 | I | A | 0.0000 | |
| 334 | F | A | 0.0000 | |
| 335 | A | A | -0.2382 | |
| 336 | D | A | 0.0000 | |
| 337 | S | A | -0.6716 | |
| 338 | S | A | -0.9322 | |
| 339 | Y | A | -0.9647 | |
| 340 | E | A | -1.6753 | |
| 341 | L | A | 0.0000 | |
| 342 | P | A | -0.1101 | |
| 343 | Y | A | 0.0226 | |
| 344 | V | A | 0.0641 | |
| 345 | M | A | 0.0000 | |
| 346 | D | A | -0.6281 | |
| 347 | A | A | -0.8295 | |
| 348 | G | A | -1.4540 | |
| 349 | Q | A | -2.4400 | |
| 350 | E | A | -2.6335 | |
| 351 | G | A | -1.2610 | |
| 352 | S | A | -0.8393 | |
| 353 | L | A | 0.0000 | |
| 354 | P | A | -0.1856 | |
| 355 | P | A | -0.3016 | |
| 356 | F | A | -0.0328 | |
| 357 | P | A | -0.4583 | |
| 358 | N | A | -1.1818 | |
| 359 | D | A | -0.4762 | |
| 360 | V | A | 1.3710 | |
| 361 | F | A | 0.0000 | |
| 362 | M | A | 1.5050 | |
| 363 | V | A | 0.0000 | |
| 364 | P | A | -0.3701 | |
| 365 | Q | A | -0.3426 | |
| 366 | Y | A | 0.0000 | |
| 367 | G | A | -0.0339 | |
| 368 | Y | A | 0.0000 | |
| 369 | C | A | 1.5144 | |
| 370 | G | A | 1.1553 | |
| 371 | I | A | 1.6059 | |
| 372 | V | A | 0.0000 | |
| 373 | T | A | -0.8597 | |
| 374 | G | A | -1.6182 | |
| 375 | E | A | -2.6996 | |
| 376 | N | A | -2.6886 | |
| 377 | Q | A | 0.0000 | |
| 378 | N | A | -1.8140 | |
| 379 | Q | A | -1.9677 | |
| 380 | T | A | -1.9585 | |
| 381 | D | A | -2.9177 | |
| 382 | R | A | -2.4710 | |
| 383 | N | A | -1.1029 | |
| 384 | A | A | 0.3180 | |
| 385 | F | A | 1.5334 | |
| 386 | Y | A | 1.3637 | |
| 387 | C | A | 1.0300 | |
| 388 | L | A | 0.0000 | |
| 389 | E | A | -0.4512 | |
| 390 | Y | A | 0.9278 | |
| 391 | F | A | 0.2152 | |
| 392 | P | A | -0.1168 | |
| 393 | S | A | -0.2282 | |
| 394 | Q | A | -0.3352 | |
| 395 | M | A | 0.2269 | |
| 396 | L | A | 0.0000 | |
| 397 | R | A | -1.1419 | |
| 398 | T | A | -0.7776 | |
| 399 | G | A | -0.9406 | |
| 400 | N | A | -1.3559 | |
| 401 | N | A | -1.5191 | |
| 402 | F | A | 0.0000 | |
| 403 | E | A | -1.6803 | |
| 404 | M | A | -0.8623 | |
| 405 | A | A | -0.9698 | |
| 406 | Y | A | -0.9285 | |
| 407 | N | A | -2.0355 | |
| 408 | F | A | 0.0000 | |
| 409 | E | A | -2.1622 | |
| 410 | K | A | -2.2708 | |
| 411 | V | A | 0.0000 | |
| 412 | P | A | -0.5200 | |
| 413 | F | A | -0.1848 | |
| 414 | H | A | -0.0095 | |
| 415 | S | A | 0.0249 | |
| 416 | M | A | 0.0000 | |
| 417 | Y | A | -0.0531 | |
| 418 | A | A | -0.4491 | |
| 419 | H | A | -0.6501 | |
| 420 | S | A | -0.8912 | |
| 421 | Q | A | -0.9753 | |
| 422 | S | A | -0.8722 | |
| 423 | L | A | 0.0000 | |
| 424 | D | A | -1.5554 | |
| 425 | R | A | -1.5585 | |
| 426 | L | A | -0.5147 | |
| 427 | M | A | -0.1392 | |
| 428 | N | A | -0.0683 | |
| 429 | P | A | 0.1536 | |
| 430 | L | A | 1.4739 | |
| 431 | L | A | 1.3858 | |
| 432 | D | A | -0.4517 | |
| 433 | Q | A | 0.1525 | |
| 434 | Y | A | 1.4573 | |
| 435 | L | A | 1.1793 | |
| 436 | W | A | 1.6889 | |
| 437 | H | A | 1.2556 | |
| 438 | L | A | 1.2407 | |
| 439 | Q | A | -0.0230 | |
| 440 | S | A | -0.3910 | |
| 441 | T | A | -0.2585 | |
| 442 | T | A | -1.4658 | |
| 443 | S | A | -1.6092 | |
| 444 | G | A | -1.9546 | |
| 445 | E | A | -2.1644 | |
| 446 | T | A | -1.1770 | |
| 447 | L | A | -0.0618 | |
| 448 | N | A | -1.5120 | |
| 449 | Q | A | -2.2958 | |
| 450 | G | A | -2.2118 | |
| 451 | N | A | -1.8618 | |
| 452 | A | A | -0.8973 | |
| 453 | A | A | -0.4408 | |
| 454 | T | A | 0.1147 | |
| 455 | T | A | 0.7352 | |
| 456 | F | A | 1.9730 | |
| 457 | G | A | 0.5831 | |
| 458 | K | A | -0.1208 | |
| 459 | I | A | 0.0000 | |
| 460 | R | A | -1.7819 | |
| 461 | S | A | -1.0863 | |
| 462 | G | A | -1.0820 | |
| 463 | D | A | -1.5133 | |
| 464 | F | A | -0.9234 | |
| 465 | A | A | -0.1104 | |
| 466 | F | A | 0.5510 | |
| 467 | Y | A | 0.0000 | |
| 468 | R | A | -1.3313 | |
| 469 | K | A | -1.8146 | |
| 470 | N | A | -1.4659 | |
| 471 | W | A | 0.2421 | |
| 472 | L | A | 0.9855 | |
| 473 | P | A | 0.8139 | |
| 474 | G | A | 0.0000 | |
| 475 | P | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | V | A | -0.0083 | |
| 478 | K | A | -0.9071 | |
| 479 | Q | A | 0.0000 | |
| 480 | Q | A | -1.5552 | |
| 481 | R | A | -2.4132 | |
| 482 | F | A | -1.1889 | |
| 483 | S | A | -1.1711 | |
| 484 | K | A | -1.4018 | |
| 485 | T | A | -1.0227 | |
| 486 | A | A | -0.7293 | |
| 487 | S | A | -1.0198 | |
| 488 | Q | A | -1.5736 | |
| 489 | N | A | -1.1475 | |
| 490 | Y | A | 0.1339 | |
| 491 | K | A | -0.9419 | |
| 492 | I | A | 0.2405 | |
| 493 | P | A | -0.3976 | |
| 494 | A | A | -0.0938 | |
| 495 | S | A | -0.6042 | |
| 496 | G | A | -1.0469 | |
| 497 | G | A | -1.2905 | |
| 498 | N | A | -1.1336 | |
| 499 | A | A | -0.3299 | |
| 500 | L | A | 0.4773 | |
| 501 | L | A | 0.2507 | |
| 502 | K | A | -0.2812 | |
| 503 | Y | A | 0.7544 | |
| 504 | D | A | 0.0000 | |
| 505 | T | A | 0.0418 | |
| 506 | H | A | 0.3638 | |
| 507 | Y | A | 1.0114 | |
| 508 | T | A | 0.4869 | |
| 509 | L | A | 0.5339 | |
| 510 | N | A | -0.9843 | |
| 511 | N | A | -1.8030 | |
| 512 | R | A | -1.3823 | |
| 513 | W | A | -0.2851 | |
| 514 | S | A | -0.0899 | |
| 515 | N | A | -0.3662 | |
| 516 | I | A | 0.1263 | |
| 517 | A | A | 0.3289 | |
| 518 | P | A | 0.0000 | |
| 519 | G | A | 0.0000 | |
| 520 | P | A | 0.2689 | |
| 521 | P | A | 0.1100 | |
| 522 | M | A | 0.0000 | |
| 523 | A | A | 0.0000 | |
| 524 | T | A | 0.0000 | |
| 525 | A | A | 0.0000 | |
| 526 | G | A | -1.0163 | |
| 527 | P | A | -0.7476 | |
| 528 | S | A | -0.9206 | |
| 529 | D | A | -1.1680 | |
| 530 | G | A | -1.1725 | |
| 531 | D | A | -1.2457 | |
| 532 | F | A | -0.6362 | |
| 533 | S | A | 0.0000 | |
| 534 | N | A | -0.6378 | |
| 535 | A | A | 0.0000 | |
| 536 | Q | A | 0.0000 | |
| 537 | L | A | 0.9022 | |
| 538 | I | A | 1.3944 | |
| 539 | F | A | 0.6443 | |
| 540 | P | A | -0.2305 | |
| 541 | G | A | -0.4853 | |
| 542 | P | A | -0.5329 | |
| 543 | S | A | -0.4899 | |
| 544 | V | A | -0.5047 | |
| 545 | T | A | -0.5825 | |
| 546 | G | A | -1.1106 | |
| 547 | N | A | -1.5353 | |
| 548 | T | A | -0.8815 | |
| 549 | T | A | -0.6748 | |
| 550 | T | A | -0.4065 | |
| 551 | S | A | -0.7364 | |
| 552 | A | A | -0.7674 | |
| 553 | N | A | -1.6113 | |
| 554 | N | A | -1.0881 | |
| 555 | L | A | -0.2449 | |
| 556 | L | A | 0.0202 | |
| 557 | F | A | 0.0000 | |
| 558 | T | A | 0.0000 | |
| 559 | S | A | 0.0000 | |
| 560 | E | A | 0.0000 | |
| 561 | E | A | -1.9755 | |
| 562 | E | A | -1.2359 | |
| 563 | I | A | 0.0000 | |
| 564 | A | A | -0.7943 | |
| 565 | A | A | -0.7901 | |
| 566 | T | A | 0.0000 | |
| 567 | N | A | 0.0000 | |
| 568 | P | A | -0.3887 | |
| 569 | R | A | -1.1358 | |
| 570 | D | A | 0.0000 | |
| 571 | T | A | -1.5145 | |
| 572 | D | A | -1.6151 | |
| 573 | M | A | -0.7646 | |
| 574 | F | A | -0.1592 | |
| 575 | G | A | -0.4970 | |
| 576 | Q | A | -0.9265 | |
| 577 | I | A | 0.2429 | |
| 578 | A | A | -0.7193 | |
| 579 | D | A | -1.9013 | |
| 580 | N | A | -1.8702 | |
| 581 | N | A | -2.4729 | |
| 582 | Q | A | -2.3490 | |
| 583 | N | A | -1.8729 | |
| 584 | A | A | -0.8018 | |
| 585 | T | A | -0.5443 | |
| 586 | T | A | -0.7684 | |
| 587 | A | A | -0.4700 | |
| 588 | P | A | -0.6531 | |
| 589 | I | A | 0.6543 | |
| 590 | T | A | -0.0735 | |
| 591 | G | A | -0.8334 | |
| 592 | N | A | -1.2911 | |
| 593 | V | A | -0.6442 | |
| 594 | T | A | -0.4285 | |
| 595 | A | A | 0.1607 | |
| 596 | M | A | 0.5125 | |
| 597 | G | A | 0.3398 | |
| 598 | V | A | 1.2113 | |
| 599 | L | A | 1.1464 | |
| 600 | P | A | 0.5325 | |
| 601 | G | A | 0.4891 | |
| 602 | M | A | 0.0000 | |
| 603 | V | A | 1.2089 | |
| 604 | W | A | 0.5559 | |
| 605 | Q | A | -0.1654 | |
| 606 | N | A | -0.2796 | |
| 607 | R | A | 0.0000 | |
| 608 | D | A | 0.0000 | |
| 609 | I | A | 0.0000 | |
| 610 | Y | A | 0.0000 | |
| 611 | Y | A | 0.0000 | |
| 612 | Q | A | 0.0000 | |
| 613 | G | A | 0.0000 | |
| 614 | P | A | -0.4741 | |
| 615 | I | A | 0.0000 | |
| 616 | W | A | 0.0000 | |
| 617 | A | A | -0.3512 | |
| 618 | K | A | -0.9625 | |
| 619 | I | A | -0.9747 | |
| 620 | P | A | -1.3707 | |
| 621 | H | A | -1.8618 | |
| 622 | A | A | -1.6878 | |
| 623 | D | A | -2.3935 | |
| 624 | G | A | -1.4190 | |
| 625 | H | A | -0.6936 | |
| 626 | F | A | 1.1329 | |
| 627 | H | A | 0.0145 | |
| 628 | P | A | -0.0197 | |
| 629 | S | A | 0.1618 | |
| 630 | P | A | 0.4771 | |
| 631 | L | A | 1.3642 | |
| 632 | I | A | 1.0226 | |
| 633 | G | A | 0.0000 | |
| 634 | G | A | 0.0585 | |
| 635 | F | A | 0.0000 | |
| 636 | G | A | -0.5455 | |
| 637 | L | A | 0.0000 | |
| 638 | K | A | -1.5880 | |
| 639 | H | A | -1.7863 | |
| 640 | P | A | 0.0000 | |
| 641 | P | A | 0.0000 | |
| 642 | P | A | 0.0000 | |
| 643 | Q | A | 0.0000 | |
| 644 | I | A | 0.0000 | |
| 645 | F | A | 0.0000 | |
| 646 | I | A | 0.0000 | |
| 647 | K | A | 0.0000 | |
| 648 | N | A | 0.0000 | |
| 649 | T | A | 0.2022 | |
| 650 | P | A | 0.0167 | |
| 651 | V | A | 0.3188 | |
| 652 | P | A | -0.2069 | |
| 653 | A | A | -0.5130 | |
| 654 | N | A | -1.2893 | |
| 655 | P | A | -0.6772 | |
| 656 | A | A | 0.1340 | |
| 657 | T | A | 0.1681 | |
| 658 | T | A | 0.8078 | |
| 659 | F | A | 1.8562 | |
| 660 | T | A | 0.7657 | |
| 661 | A | A | 0.2161 | |
| 662 | A | A | -0.5141 | |
| 663 | R | A | -1.6481 | |
| 664 | V | A | -0.5188 | |
| 665 | D | A | -1.7878 | |
| 666 | S | A | -1.0006 | |
| 667 | F | A | -0.0560 | |
| 668 | I | A | 0.5505 | |
| 669 | T | A | 0.2836 | |
| 670 | Q | A | 0.0000 | |
| 671 | Y | A | 0.2813 | |
| 672 | S | A | 0.0000 | |
| 673 | T | A | 0.3079 | |
| 674 | G | A | 0.0000 | |
| 675 | Q | A | -0.1479 | |
| 676 | V | A | 0.0000 | |
| 677 | A | A | 0.0000 | |
| 678 | V | A | 0.0000 | |
| 679 | Q | A | -1.2049 | |
| 680 | I | A | 0.0000 | |
| 681 | E | A | -1.3083 | |
| 682 | W | A | 0.0000 | |
| 683 | E | A | -1.5582 | |
| 684 | I | A | 0.0000 | |
| 685 | E | A | -2.5446 | |
| 686 | K | A | -2.8582 | |
| 687 | E | A | -2.6413 | |
| 688 | R | A | -3.1381 | |
| 689 | S | A | -2.2821 | |
| 690 | K | A | -2.4300 | |
| 691 | R | A | -1.8171 | |
| 692 | W | A | -0.3388 | |
| 693 | N | A | -1.1088 | |
| 694 | P | A | -0.6180 | |
| 695 | E | A | -0.1071 | |
| 696 | V | A | 1.0097 | |
| 697 | Q | A | -0.2334 | |
| 698 | F | A | -0.2550 | |
| 699 | T | A | -0.5902 | |
| 700 | S | A | -0.9267 | |
| 701 | N | A | -1.4632 | |
| 702 | Y | A | -0.9696 | |
| 703 | G | A | -1.5013 | |
| 704 | N | A | -2.0253 | |
| 705 | Q | A | -1.6111 | |
| 706 | S | A | -0.9355 | |
| 707 | S | A | -0.3600 | |
| 708 | M | A | 0.3868 | |
| 709 | L | A | 0.2253 | |
| 710 | W | A | 0.1108 | |
| 711 | A | A | -0.0560 | |
| 712 | P | A | -0.9139 | |
| 713 | D | A | -1.2499 | |
| 714 | T | A | -0.9598 | |
| 715 | T | A | -1.0878 | |
| 716 | G | A | -1.6336 | |
| 717 | K | A | -2.1405 | |
| 718 | Y | A | -1.0082 | |
| 719 | T | A | -0.7342 | |
| 720 | E | A | -0.5624 | |
| 721 | P | A | 0.0000 | |
| 722 | R | A | -1.2864 | |
| 723 | V | A | -0.2749 | |
| 724 | I | A | 0.0000 | |
| 725 | G | A | -0.1000 | |
| 726 | S | A | 0.0000 | |
| 727 | R | A | 0.0000 | |
| 728 | Y | A | 0.3168 | |
| 729 | L | A | 0.0000 | |
| 730 | T | A | -0.4599 | |
| 731 | N | A | -1.2496 | |
| 732 | H | A | -0.9755 | |
| 733 | L | A | 0.1419 |
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 | -0.0012 | 4.9668 | View | CSV | PDB |
| 4.5 | -0.0351 | 4.9668 | View | CSV | PDB |
| 5.0 | -0.077 | 4.9668 | View | CSV | PDB |
| 5.5 | -0.1196 | 4.9668 | View | CSV | PDB |
| 6.0 | -0.1546 | 4.9668 | View | CSV | PDB |
| 6.5 | -0.1763 | 4.9668 | View | CSV | PDB |
| 7.0 | -0.1855 | 4.9668 | View | CSV | PDB |
| 7.5 | -0.1875 | 4.9668 | View | CSV | PDB |
| 8.0 | -0.1863 | 5.0028 | View | CSV | PDB |
| 8.5 | -0.1819 | 5.0601 | View | CSV | PDB |
| 9.0 | -0.1731 | 5.1173 | 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