| Chain sequence(s) |
A: NSMSLRKVLANPRFNAKDFVHDKLSNASAITIDKFTSNLTDLSIQVQEEVKLNINKSYNEIMTVNNDLNVAMLELKRVRGNINDLNETLDQFTKIAAKRLQLQNQINKERQDNASNVESHSPELLPPLKAGQNEKIRRRDRSSVFILEKLWDTELDQLFKNVEGAQKFINSTKGRHILMNSANWMELNITTGKLLQMVQIFILNDLVLIADKSRDKQNDFAVSQCYPLKDVTVTREEFSSKRLLFKFSNSNSSLYECREADECAKMLDVIRKAKDDLCDIFHVEEENSKRIRESFRYLQSTQQTPGRENNRSPKKSQRRSMGGSITPGRNITGAMDQYLLQNLTLSMHSRPRSRDMSSSAHRLRFLDEGVEEIDIELARLRFETAVDVLLDIESQLQDLAEKISDEELMLHNLISLKIEQRREAIASKLSQSILSSNEVMRLKSGTENMIKLGLPEQALDLFLQNRSNLIQDLILQIGSVDNPTNYLTQLAVIRFQTIKKTVEDFQDIFKKLSGKISSILVDWCSDEVDKHFKLIDKQLLNDEMLSPSSIKSSRKQIDGLKAVGLDFVYKLDEFIKKNSDKIR
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] (00:00:01)
[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 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 (00:14:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/63f598d808a88a/tmp/folded.pdb (00:14:41)
[INFO] Main: Simulation completed successfully. (00:19:45)
|
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 | -1.6613 | |
| 254 | N | A | -2.9903 | |
| 255 | E | A | -3.2551 | |
| 256 | T | A | -1.3693 | |
| 257 | L | A | -0.6580 | |
| 258 | D | A | -2.4445 | |
| 259 | Q | A | -2.2316 | |
| 260 | F | A | -0.0843 | |
| 261 | T | A | -0.7672 | |
| 262 | K | A | -2.1418 | |
| 263 | I | A | -0.3574 | |
| 264 | A | A | -0.2453 | |
| 265 | A | A | -1.0487 | |
| 266 | K | A | -1.9890 | |
| 267 | R | A | -1.2751 | |
| 268 | L | A | -0.1562 | |
| 269 | Q | A | -1.8675 | |
| 270 | L | A | -1.3646 | |
| 271 | Q | A | 0.0000 | |
| 272 | N | A | -1.9575 | |
| 273 | Q | A | -1.9506 | |
| 274 | I | A | -1.2853 | |
| 275 | N | A | -1.8782 | |
| 276 | K | A | 0.0000 | |
| 277 | E | A | -3.3633 | |
| 278 | R | A | -3.2779 | |
| 279 | Q | A | -3.0804 | |
| 280 | D | A | -3.9459 | |
| 281 | N | A | -2.8374 | |
| 282 | A | A | -2.1661 | |
| 283 | S | A | -1.9360 | |
| 284 | N | A | -2.3299 | |
| 285 | V | A | -1.9449 | |
| 286 | E | A | -1.9575 | |
| 287 | S | A | -1.1900 | |
| 288 | H | A | -1.5490 | |
| 289 | S | A | -1.4038 | |
| 290 | P | A | -1.0659 | |
| 291 | E | A | -1.0304 | |
| 292 | L | A | 1.2777 | |
| 293 | L | A | 1.4051 | |
| 294 | P | A | -0.5185 | |
| 295 | P | A | -0.8735 | |
| 296 | L | A | -1.4290 | |
| 297 | K | A | -2.0871 | |
| 298 | A | A | -2.0088 | |
| 299 | G | A | -2.0237 | |
| 300 | Q | A | -2.4715 | |
| 301 | N | A | -2.5446 | |
| 302 | E | A | -3.0103 | |
| 303 | K | A | -3.6365 | |
| 304 | I | A | 0.0000 | |
| 305 | R | A | -4.8129 | |
| 306 | R | A | -4.2005 | |
| 307 | R | A | -3.4740 | |
| 308 | D | A | -3.0948 | |
| 309 | R | A | -2.2270 | |
| 310 | S | A | -1.3112 | |
| 311 | S | A | -0.2894 | |
| 312 | V | A | -0.2912 | |
| 313 | F | A | 0.3670 | |
| 314 | I | A | 0.7747 | |
| 315 | L | A | -0.2423 | |
| 316 | E | A | -1.6934 | |
| 317 | K | A | -1.1997 | |
| 318 | L | A | 0.0190 | |
| 319 | W | A | -0.2726 | |
| 320 | D | A | -1.3646 | |
| 321 | T | A | -0.7845 | |
| 322 | E | A | -0.3927 | |
| 323 | L | A | -0.0020 | |
| 324 | D | A | -1.0292 | |
| 325 | Q | A | -0.3595 | |
| 326 | L | A | 0.4270 | |
| 327 | F | A | 0.4510 | |
| 328 | K | A | -1.3925 | |
| 329 | N | A | 0.0000 | |
| 330 | V | A | 0.5880 | |
| 331 | E | A | -1.7058 | |
| 332 | G | A | -0.9418 | |
| 333 | A | A | 0.0000 | |
| 334 | Q | A | 0.0000 | |
| 335 | K | A | 0.0000 | |
| 336 | F | A | 1.6966 | |
| 337 | I | A | 1.3823 | |
| 338 | N | A | -0.3206 | |
| 339 | S | A | -0.4676 | |
| 340 | T | A | -0.3627 | |
| 341 | K | A | -1.7103 | |
| 342 | G | A | -0.6852 | |
| 343 | R | A | 0.0000 | |
| 344 | H | A | 0.1503 | |
| 345 | I | A | 1.2687 | |
| 346 | L | A | 0.2962 | |
| 347 | M | A | 0.1606 | |
| 348 | N | A | -0.1685 | |
| 349 | S | A | -0.4361 | |
| 350 | A | A | 0.0000 | |
| 351 | N | A | -1.0479 | |
| 352 | W | A | 0.0000 | |
| 353 | M | A | -0.1600 | |
| 354 | E | A | -0.2485 | |
| 355 | L | A | 0.1104 | |
| 356 | N | A | -0.2525 | |
| 357 | I | A | 0.3585 | |
| 358 | T | A | -0.2660 | |
| 359 | T | A | -0.5429 | |
| 360 | G | A | -0.8066 | |
| 361 | K | A | -1.0348 | |
| 362 | L | A | 0.6738 | |
| 363 | L | A | 0.4049 | |
| 364 | Q | A | -0.6871 | |
| 365 | M | A | -0.3676 | |
| 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 | -0.1873 | |
| 373 | D | A | -0.6118 | |
| 374 | L | A | -0.5282 | |
| 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 | -1.5833 | |
| 381 | S | A | -2.0541 | |
| 382 | R | A | -2.8661 | |
| 383 | D | A | -2.2517 | |
| 384 | K | A | -3.1904 | |
| 385 | Q | A | -2.7871 | |
| 386 | N | A | -1.4078 | |
| 387 | D | A | -0.3912 | |
| 388 | F | A | 1.5197 | |
| 389 | A | A | 0.0000 | |
| 390 | V | A | 1.6533 | |
| 391 | S | A | 1.1780 | |
| 392 | Q | A | 0.4128 | |
| 393 | C | A | 0.7013 | |
| 394 | Y | A | -0.0697 | |
| 395 | P | A | -0.6548 | |
| 396 | L | A | 0.0000 | |
| 397 | K | A | -2.0244 | |
| 398 | D | A | -1.8986 | |
| 399 | V | A | 0.0000 | |
| 400 | T | A | -0.3376 | |
| 401 | V | A | 0.0000 | |
| 402 | T | A | -0.6478 | |
| 403 | R | A | -2.3618 | |
| 404 | E | A | -1.3332 | |
| 405 | E | A | -1.2395 | |
| 406 | F | A | 0.6025 | |
| 407 | S | A | -0.2634 | |
| 408 | S | A | -1.0085 | |
| 409 | K | A | -2.8865 | |
| 410 | R | A | -3.7093 | |
| 411 | L | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | F | A | 0.2345 | |
| 414 | K | A | 0.0000 | |
| 415 | F | A | 1.1158 | |
| 416 | S | A | 0.0000 | |
| 417 | N | A | -1.3910 | |
| 418 | S | A | -1.0283 | |
| 419 | N | A | -1.1018 | |
| 420 | S | A | 0.0690 | |
| 421 | S | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | Y | A | 0.0000 | |
| 424 | E | A | -1.4774 | |
| 425 | C | A | 0.0000 | |
| 426 | R | A | -3.7174 | |
| 427 | E | A | -4.2892 | |
| 428 | A | A | -3.5731 | |
| 429 | D | A | -3.8131 | |
| 430 | E | A | -3.2667 | |
| 431 | C | A | 0.0000 | |
| 432 | A | A | -3.1660 | |
| 433 | K | A | -3.5112 | |
| 434 | M | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | D | A | -4.0582 | |
| 437 | V | A | -2.8083 | |
| 438 | I | A | 0.0000 | |
| 439 | R | A | -4.2019 | |
| 440 | K | A | -4.0896 | |
| 441 | A | A | 0.0000 | |
| 442 | K | A | -2.7461 | |
| 443 | D | A | -3.3680 | |
| 444 | D | A | -1.6063 | |
| 445 | L | A | -1.2965 | |
| 446 | C | A | -1.4819 | |
| 447 | D | A | -1.7092 | |
| 448 | I | A | 0.8444 | |
| 449 | F | A | 0.3728 | |
| 450 | H | A | -1.4793 | |
| 451 | V | A | -1.8963 | |
| 452 | E | A | -2.8549 | |
| 453 | E | A | -3.7627 | |
| 454 | E | A | -3.3354 | |
| 455 | N | A | -2.9213 | |
| 456 | S | A | -3.1815 | |
| 457 | K | A | -3.9583 | |
| 458 | R | A | -3.7358 | |
| 459 | I | A | -1.9284 | |
| 460 | R | A | -3.2216 | |
| 461 | E | A | -2.5088 | |
| 462 | S | A | -1.6217 | |
| 463 | F | A | -0.7941 | |
| 464 | R | A | -1.9538 | |
| 465 | Y | A | -0.7237 | |
| 466 | L | A | -0.7634 | |
| 467 | Q | A | -1.2044 | |
| 468 | S | A | -1.0415 | |
| 469 | T | A | -1.4510 | |
| 470 | Q | A | -1.7352 | |
| 471 | Q | A | -1.6865 | |
| 472 | T | A | -1.5579 | |
| 473 | P | A | -2.2437 | |
| 474 | G | A | -3.0299 | |
| 475 | R | A | -3.5680 | |
| 476 | E | A | -3.7521 | |
| 477 | N | A | -3.6457 | |
| 478 | N | A | -3.0191 | |
| 479 | R | A | -1.8305 | |
| 480 | S | A | -1.3895 | |
| 481 | P | A | -1.3965 | |
| 482 | K | A | -2.2475 | |
| 483 | K | A | -2.5575 | |
| 484 | S | A | -2.2327 | |
| 485 | Q | A | -2.6612 | |
| 486 | R | A | -2.9515 | |
| 487 | R | A | -2.8545 | |
| 488 | S | A | -1.3176 | |
| 489 | M | A | -0.6963 | |
| 490 | G | A | -0.7336 | |
| 491 | G | A | -0.8108 | |
| 492 | S | A | 0.0263 | |
| 493 | I | A | 0.4139 | |
| 494 | T | A | -0.3590 | |
| 495 | P | A | -0.7179 | |
| 496 | G | A | -1.0057 | |
| 497 | R | A | -1.4382 | |
| 498 | N | A | 0.0000 | |
| 499 | I | A | 0.8434 | |
| 500 | T | A | 0.3410 | |
| 501 | G | A | -0.1907 | |
| 502 | A | A | -0.2216 | |
| 503 | M | A | -0.6607 | |
| 504 | D | A | -1.2417 | |
| 505 | Q | A | -0.7388 | |
| 506 | Y | A | 1.2312 | |
| 507 | L | A | 1.9125 | |
| 508 | L | A | 1.9532 | |
| 509 | Q | A | 0.3878 | |
| 510 | N | A | 0.1403 | |
| 511 | L | A | 1.2465 | |
| 512 | T | A | 0.9993 | |
| 513 | L | A | 1.4073 | |
| 514 | S | A | 0.7178 | |
| 515 | M | A | 0.7778 | |
| 516 | H | A | 0.1729 | |
| 517 | S | A | -0.1626 | |
| 518 | R | A | -0.7088 | |
| 519 | P | A | -1.0370 | |
| 520 | R | A | -1.9632 | |
| 521 | S | A | -1.2183 | |
| 522 | R | A | 0.0000 | |
| 523 | D | A | -0.9013 | |
| 524 | M | A | 0.0000 | |
| 525 | S | A | -0.5452 | |
| 526 | S | A | -0.1521 | |
| 527 | S | A | 0.0000 | |
| 528 | A | A | 0.0000 | |
| 529 | H | A | 0.0000 | |
| 530 | R | A | -0.7200 | |
| 531 | L | A | 0.0000 | |
| 532 | R | A | -0.4104 | |
| 533 | F | A | -0.1022 | |
| 534 | L | A | -0.1676 | |
| 535 | D | A | 0.0000 | |
| 536 | E | A | -1.1517 | |
| 537 | G | A | 0.0000 | |
| 538 | V | A | 0.0000 | |
| 539 | E | A | -1.0200 | |
| 540 | E | A | -1.0944 | |
| 541 | I | A | 0.0000 | |
| 542 | D | A | -0.5305 | |
| 543 | I | A | 0.5442 | |
| 544 | E | A | -0.9007 | |
| 545 | L | A | 0.0000 | |
| 546 | A | A | -0.3557 | |
| 547 | R | A | -1.2943 | |
| 548 | L | A | -0.3578 | |
| 549 | R | A | -2.0010 | |
| 550 | F | A | 0.0000 | |
| 551 | E | A | -2.1886 | |
| 552 | T | A | -1.3712 | |
| 553 | A | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | D | A | -1.6307 | |
| 556 | V | A | -0.9838 | |
| 557 | L | A | 0.0000 | |
| 558 | L | A | -0.9620 | |
| 559 | D | A | -2.0107 | |
| 560 | I | A | 0.0000 | |
| 561 | E | A | -1.9271 | |
| 562 | S | A | -1.7644 | |
| 563 | Q | A | -1.6227 | |
| 564 | L | A | -1.6612 | |
| 565 | Q | A | -2.6392 | |
| 566 | D | A | -2.9008 | |
| 567 | L | A | -1.7575 | |
| 568 | A | A | -2.5511 | |
| 569 | E | A | -3.6244 | |
| 570 | K | A | -3.7417 | |
| 571 | I | A | -2.8257 | |
| 572 | S | A | -2.8878 | |
| 573 | D | A | -3.9616 | |
| 574 | E | A | -3.6793 | |
| 575 | E | A | -2.9391 | |
| 576 | L | A | -1.5106 | |
| 577 | M | A | 0.2402 | |
| 578 | L | A | -0.0400 | |
| 579 | H | A | -0.4006 | |
| 580 | N | A | -0.8411 | |
| 581 | L | A | -0.8119 | |
| 582 | I | A | 0.0000 | |
| 583 | S | A | -1.2362 | |
| 584 | L | A | -1.3937 | |
| 585 | K | A | -1.5261 | |
| 586 | I | A | 0.0000 | |
| 587 | E | A | -3.1187 | |
| 588 | Q | A | -2.9383 | |
| 589 | R | A | -2.5200 | |
| 590 | R | A | -2.6580 | |
| 591 | E | A | -3.1918 | |
| 592 | A | A | -2.0905 | |
| 593 | I | A | 0.0000 | |
| 594 | A | A | -1.3133 | |
| 595 | S | A | -1.6251 | |
| 596 | K | A | -1.6864 | |
| 597 | L | A | 0.0000 | |
| 598 | S | A | -0.9836 | |
| 599 | Q | A | -1.4814 | |
| 600 | S | A | -0.9096 | |
| 601 | I | A | 0.0000 | |
| 602 | L | A | -0.3367 | |
| 603 | S | A | -0.8691 | |
| 604 | S | A | -0.8860 | |
| 605 | N | A | -1.4428 | |
| 606 | E | A | -0.7285 | |
| 607 | V | A | 0.5381 | |
| 608 | M | A | 0.3099 | |
| 609 | R | A | -1.6660 | |
| 610 | L | A | 0.0000 | |
| 611 | K | A | -0.7039 | |
| 612 | S | A | -0.8365 | |
| 613 | G | A | 0.0000 | |
| 614 | T | A | 0.0000 | |
| 615 | E | A | -1.0990 | |
| 616 | N | A | 0.0000 | |
| 617 | M | A | 0.0000 | |
| 618 | I | A | -0.5813 | |
| 619 | K | A | -1.2704 | |
| 620 | L | A | 0.0000 | |
| 621 | G | A | -0.7119 | |
| 622 | L | A | -0.3594 | |
| 623 | P | A | -0.8492 | |
| 624 | E | A | -1.7458 | |
| 625 | Q | A | -1.4290 | |
| 626 | A | A | 0.0000 | |
| 627 | L | A | 0.0000 | |
| 628 | D | A | -1.3507 | |
| 629 | L | A | -0.8270 | |
| 630 | F | A | 0.0000 | |
| 631 | L | A | 0.0000 | |
| 632 | Q | A | -0.9910 | |
| 633 | N | A | 0.0000 | |
| 634 | R | A | 0.0000 | |
| 635 | S | A | -1.5302 | |
| 636 | N | A | -2.3190 | |
| 637 | L | A | -1.5330 | |
| 638 | I | A | 0.0000 | |
| 639 | Q | A | -2.1351 | |
| 640 | D | A | -2.1028 | |
| 641 | L | A | -0.7537 | |
| 642 | I | A | 0.0000 | |
| 643 | L | A | 0.2904 | |
| 644 | Q | A | -0.6542 | |
| 645 | I | A | 0.1879 | |
| 646 | G | A | 0.2939 | |
| 647 | S | A | 0.1035 | |
| 648 | V | A | 0.1871 | |
| 649 | D | A | -1.7750 | |
| 650 | N | A | -1.9145 | |
| 651 | P | A | -0.9900 | |
| 652 | T | A | -1.0641 | |
| 653 | N | A | -1.8467 | |
| 654 | Y | A | 0.0000 | |
| 655 | L | A | 0.0000 | |
| 656 | T | A | -0.7538 | |
| 657 | Q | A | -0.5200 | |
| 658 | L | A | 0.0000 | |
| 659 | A | A | 0.0000 | |
| 660 | V | A | 0.0639 | |
| 661 | I | A | 0.1302 | |
| 662 | R | A | 0.0000 | |
| 663 | F | A | 0.0000 | |
| 664 | Q | A | -1.1046 | |
| 665 | T | A | -0.9888 | |
| 666 | I | A | 0.0000 | |
| 667 | K | A | -1.7301 | |
| 668 | K | A | -2.4380 | |
| 669 | T | A | 0.0000 | |
| 670 | V | A | 0.0000 | |
| 671 | E | A | -2.9609 | |
| 672 | D | A | 0.0000 | |
| 673 | F | A | 0.0000 | |
| 674 | Q | A | -3.2989 | |
| 675 | D | A | -3.3777 | |
| 676 | I | A | 0.0000 | |
| 677 | F | A | 0.0000 | |
| 678 | K | A | -2.8274 | |
| 679 | K | A | -2.6339 | |
| 680 | L | A | -1.4888 | |
| 681 | S | A | -1.4959 | |
| 682 | G | A | -1.5001 | |
| 683 | K | A | -1.7994 | |
| 684 | I | A | -1.0190 | |
| 685 | S | A | -0.6249 | |
| 686 | S | A | -0.4854 | |
| 687 | I | A | -0.4474 | |
| 688 | L | A | 0.0000 | |
| 689 | V | A | 0.5177 | |
| 690 | D | A | -1.3523 | |
| 691 | W | A | 0.0000 | |
| 692 | C | A | 0.0000 | |
| 693 | S | A | -1.3201 | |
| 694 | D | A | -2.5194 | |
| 695 | E | A | 0.0000 | |
| 696 | V | A | 0.0000 | |
| 697 | D | A | -2.1552 | |
| 698 | K | A | -2.4465 | |
| 699 | H | A | 0.0000 | |
| 700 | F | A | 0.0000 | |
| 701 | K | A | -2.8819 | |
| 702 | L | A | -1.8931 | |
| 703 | I | A | 0.0000 | |
| 704 | D | A | -1.9577 | |
| 705 | K | A | -2.2294 | |
| 706 | Q | A | -1.0062 | |
| 707 | L | A | -0.6798 | |
| 708 | L | A | -0.1914 | |
| 709 | N | A | -1.4948 | |
| 710 | D | A | -2.0371 | |
| 711 | E | A | -0.9817 | |
| 712 | M | A | -0.0949 | |
| 713 | L | A | -0.4193 | |
| 714 | S | A | -0.5655 | |
| 715 | P | A | -0.9470 | |
| 716 | S | A | -1.0838 | |
| 717 | S | A | 0.0000 | |
| 718 | I | A | -1.2184 | |
| 719 | K | A | -2.7037 | |
| 720 | S | A | -2.2294 | |
| 721 | S | A | 0.0000 | |
| 722 | R | A | -3.5671 | |
| 723 | K | A | -3.6834 | |
| 724 | Q | A | -2.5212 | |
| 725 | I | A | 0.0000 | |
| 726 | D | A | -3.4362 | |
| 727 | G | A | -2.1935 | |
| 728 | L | A | 0.0000 | |
| 729 | K | A | -2.1554 | |
| 730 | A | A | -0.9172 | |
| 731 | V | A | -0.7790 | |
| 732 | G | A | -1.0473 | |
| 733 | L | A | -0.8133 | |
| 734 | D | A | -1.3662 | |
| 735 | F | A | 0.0000 | |
| 736 | V | A | -1.0285 | |
| 737 | Y | A | 0.3319 | |
| 738 | K | A | -0.7626 | |
| 739 | L | A | 0.0000 | |
| 740 | D | A | -2.2172 | |
| 741 | E | A | -2.5410 | |
| 742 | F | A | -1.9157 | |
| 743 | I | A | -1.8707 | |
| 744 | K | A | -3.4293 | |
| 745 | K | A | -3.2255 | |
| 746 | N | A | -2.3316 | |
| 747 | S | A | -2.4016 | |
| 748 | D | A | -2.6219 | |
| 749 | K | A | -1.7329 | |
| 750 | I | A | -1.0685 | |
| 751 | R | A | -2.0931 |
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 | -0.9755 | 4.5764 | View | CSV | PDB |
| 4.5 | -1.0782 | 4.5401 | View | CSV | PDB |
| 5.0 | -1.2047 | 4.482 | View | CSV | PDB |
| 5.5 | -1.3313 | 4.4129 | View | CSV | PDB |
| 6.0 | -1.4326 | 4.3503 | View | CSV | PDB |
| 6.5 | -1.4921 | 4.3087 | View | CSV | PDB |
| 7.0 | -1.5105 | 4.2933 | View | CSV | PDB |
| 7.5 | -1.5007 | 4.3012 | View | CSV | PDB |
| 8.0 | -1.4741 | 4.3241 | View | CSV | PDB |
| 8.5 | -1.4342 | 4.3544 | View | CSV | PDB |
| 9.0 | -1.3775 | 4.3898 | 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