| Chain sequence(s) |
A: PSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTT
B: PSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTT input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:17)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/223133abf6632f6/tmp/folded.pdb (00:12:17)
[INFO] Main: Simulation completed successfully. (00:18:44)
|
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 |
|---|---|---|---|---|
| 248 | P | A | -0.4259 | |
| 249 | S | A | -0.4845 | |
| 250 | S | A | -0.4848 | |
| 251 | T | A | -0.3103 | |
| 252 | S | A | -0.3510 | |
| 253 | P | A | -0.0489 | |
| 254 | V | A | 0.5989 | |
| 255 | Y | A | 0.1540 | |
| 256 | D | A | -0.8874 | |
| 257 | L | A | 0.0000 | |
| 258 | Q | A | -2.1733 | |
| 259 | R | A | -2.4235 | |
| 260 | Y | A | -1.4969 | |
| 261 | T | A | -1.6178 | |
| 262 | A | A | -1.7737 | |
| 263 | E | A | -2.5435 | |
| 264 | S | A | -1.8325 | |
| 265 | L | A | -1.6942 | |
| 266 | R | A | -2.6746 | |
| 267 | L | A | 0.0000 | |
| 268 | A | A | -1.0186 | |
| 269 | P | A | -0.6900 | |
| 270 | Y | A | -0.1288 | |
| 271 | P | A | -0.4575 | |
| 272 | A | A | -0.6694 | |
| 273 | D | A | -1.9420 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | 0.0000 | |
| 276 | V | A | 0.8311 | |
| 277 | P | A | 0.0000 | |
| 278 | T | A | 0.1840 | |
| 279 | A | A | 0.0000 | |
| 280 | F | A | 0.0544 | |
| 281 | P | A | -1.1681 | |
| 282 | Q | A | -2.3204 | |
| 283 | D | A | -3.0175 | |
| 284 | H | A | -2.9700 | |
| 285 | Q | A | -2.7118 | |
| 286 | P | A | -1.8392 | |
| 287 | R | A | -2.4233 | |
| 288 | G | A | -1.6187 | |
| 289 | R | A | -0.8787 | |
| 290 | I | A | 0.4043 | |
| 291 | L | A | 0.9342 | |
| 292 | L | A | 0.0000 | |
| 293 | S | A | 0.0000 | |
| 294 | H | A | -1.3901 | |
| 295 | D | A | -2.3116 | |
| 296 | E | A | -1.2220 | |
| 297 | L | A | 0.0000 | |
| 298 | M | A | 0.0000 | |
| 299 | H | A | -1.7378 | |
| 300 | T | A | 0.0000 | |
| 301 | D | A | -0.8937 | |
| 302 | Y | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | H | A | -0.3245 | |
| 306 | I | A | 0.0000 | |
| 307 | R | A | 0.0000 | |
| 308 | Q | A | -0.5173 | |
| 309 | Q | A | -0.0506 | |
| 310 | F | A | 0.0000 | |
| 311 | D | A | -0.7760 | |
| 312 | W | A | 0.2799 | |
| 313 | L | A | -0.8209 | |
| 314 | E | A | -2.4364 | |
| 315 | E | A | -3.0893 | |
| 316 | P | A | -2.1532 | |
| 317 | L | A | -1.1302 | |
| 318 | L | A | 0.0000 | |
| 319 | R | A | -2.8151 | |
| 320 | K | A | -1.9738 | |
| 321 | L | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | E | A | -1.0296 | |
| 325 | K | A | 0.0000 | |
| 326 | I | A | -0.0757 | |
| 327 | F | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | Y | A | 0.4228 | |
| 331 | N | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | P | A | -0.0216 | |
| 334 | N | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | H | A | -0.5371 | |
| 337 | T | A | -0.1243 | |
| 338 | L | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | A | A | 0.0134 | |
| 341 | I | A | 0.0000 | |
| 342 | I | A | 0.0000 | |
| 343 | D | A | 0.0000 | |
| 344 | E | A | 0.0000 | |
| 345 | T | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | S | A | 0.0000 | |
| 348 | Y | A | 0.0000 | |
| 349 | M | A | 0.0000 | |
| 350 | K | A | 0.0000 | |
| 351 | Y | A | 0.0000 | |
| 352 | H | A | 0.0000 | |
| 353 | H | A | -0.3260 | |
| 354 | L | A | 0.4927 | |
| 355 | H | A | -0.0177 | |
| 356 | G | A | -0.2204 | |
| 357 | L | A | 0.0000 | |
| 358 | P | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | N | A | 0.0000 | |
| 361 | P | A | 0.0000 | |
| 362 | H | A | -1.6135 | |
| 363 | D | A | 0.0000 | |
| 364 | P | A | 0.0000 | |
| 365 | Y | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | E | A | -0.9470 | |
| 368 | T | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | G | A | -0.3084 | |
| 371 | G | A | -0.2859 | |
| 372 | M | A | 0.0000 | |
| 373 | R | A | -0.9761 | |
| 374 | Q | A | -1.5142 | |
| 375 | L | A | -0.5951 | |
| 376 | L | A | 0.0000 | |
| 377 | F | A | 0.0000 | |
| 378 | N | A | -1.1697 | |
| 379 | K | A | -0.8035 | |
| 380 | L | A | 0.0000 | |
| 381 | N | A | -1.0876 | |
| 382 | N | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | D | A | -1.3555 | |
| 385 | L | A | 0.0000 | |
| 386 | G | A | 0.0000 | |
| 387 | C | A | -1.7799 | |
| 388 | I | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | D | A | -1.7397 | |
| 391 | H | A | -2.1801 | |
| 392 | Q | A | -2.4676 | |
| 393 | D | A | -2.5414 | |
| 394 | G | A | -1.2043 | |
| 395 | W | A | -0.5239 | |
| 396 | G | A | -1.3894 | |
| 397 | D | A | -2.0592 | |
| 398 | H | A | -1.6488 | |
| 399 | C | A | 0.0000 | |
| 400 | S | A | -1.1699 | |
| 401 | T | A | -1.1629 | |
| 402 | L | A | 0.0000 | |
| 403 | K | A | -1.7804 | |
| 404 | R | A | -1.6628 | |
| 405 | L | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | K | A | -2.4967 | |
| 408 | K | A | -2.8442 | |
| 409 | P | A | -2.2261 | |
| 410 | G | A | -1.9232 | |
| 411 | Q | A | -2.4295 | |
| 412 | M | A | 0.0000 | |
| 413 | S | A | -0.5298 | |
| 414 | A | A | -0.4643 | |
| 415 | W | A | 0.2091 | |
| 416 | L | A | -0.8917 | |
| 417 | R | A | -2.7513 | |
| 418 | D | A | -3.1758 | |
| 419 | D | A | -3.3777 | |
| 420 | V | A | 0.0000 | |
| 421 | C | A | -2.9316 | |
| 422 | D | A | -3.6375 | |
| 423 | L | A | -2.3800 | |
| 424 | Q | A | -2.4349 | |
| 425 | K | A | -3.0566 | |
| 426 | R | A | -2.3055 | |
| 427 | P | A | -1.4999 | |
| 428 | P | A | 0.0000 | |
| 429 | E | A | -1.1908 | |
| 430 | T | A | -0.7170 | |
| 431 | F | A | 0.0000 | |
| 432 | S | A | -0.2960 | |
| 433 | Q | A | -0.5315 | |
| 434 | P | A | -0.2084 | |
| 435 | M | A | 0.0000 | |
| 436 | H | A | 0.0000 | |
| 437 | R | A | -0.6375 | |
| 438 | A | A | 0.0000 | |
| 439 | M | A | 0.0000 | |
| 440 | A | A | 0.0000 | |
| 441 | Y | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | C | A | 0.0000 | |
| 444 | S | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | S | A | 0.0000 | |
| 447 | R | A | -0.3590 | |
| 448 | V | A | 0.0000 | |
| 449 | A | A | 0.0000 | |
| 450 | V | A | 0.3584 | |
| 451 | S | A | -0.6438 | |
| 452 | L | A | 0.0000 | |
| 453 | R | A | -1.1857 | |
| 454 | R | A | -1.9426 | |
| 455 | R | A | -1.8358 | |
| 456 | A | A | -0.7701 | |
| 457 | L | A | 0.0515 | |
| 458 | Q | A | -1.0778 | |
| 459 | V | A | -0.1845 | |
| 460 | T | A | 0.0486 | |
| 461 | G | A | -0.1187 | |
| 462 | T | A | 0.0137 | |
| 463 | P | A | 0.3021 | |
| 464 | Q | A | 0.0000 | |
| 465 | F | A | -0.4320 | |
| 466 | F | A | 0.0000 | |
| 467 | D | A | -2.3075 | |
| 468 | Q | A | -1.8179 | |
| 469 | F | A | -1.0397 | |
| 470 | D | A | 0.0000 | |
| 471 | T | A | -1.3862 | |
| 472 | N | A | -1.5071 | |
| 473 | N | A | -2.0653 | |
| 474 | A | A | 0.0000 | |
| 475 | M | A | 0.0000 | |
| 476 | G | A | -0.9756 | |
| 477 | T | A | -0.8820 | |
| 478 | Y | A | 0.0000 | |
| 479 | R | A | -1.1411 | |
| 480 | C | A | 0.0000 | |
| 481 | G | A | 0.0000 | |
| 482 | A | A | -0.4335 | |
| 483 | V | A | 0.0000 | |
| 484 | S | A | -0.1650 | |
| 485 | D | A | -0.0755 | |
| 486 | L | A | 0.0000 | |
| 487 | I | A | 0.0000 | |
| 488 | L | A | -0.1169 | |
| 489 | G | A | -0.1292 | |
| 490 | A | A | 0.0000 | |
| 491 | L | A | 0.0000 | |
| 492 | Q | A | -1.3839 | |
| 493 | C | A | -0.2920 | |
| 494 | H | A | -1.2900 | |
| 495 | E | A | -2.4792 | |
| 496 | C | A | -2.1866 | |
| 497 | Q | A | -2.5284 | |
| 498 | N | A | -2.7446 | |
| 499 | E | A | -3.1088 | |
| 500 | M | A | -2.2793 | |
| 501 | C | A | 0.0000 | |
| 502 | E | A | -3.4501 | |
| 503 | L | A | -2.0943 | |
| 504 | R | A | -1.6391 | |
| 505 | I | A | -1.4468 | |
| 506 | Q | A | -1.6363 | |
| 507 | R | A | -1.4238 | |
| 508 | A | A | 0.0000 | |
| 509 | L | A | -0.2708 | |
| 510 | A | A | -0.7074 | |
| 511 | P | A | -0.7052 | |
| 512 | Y | A | -0.6118 | |
| 513 | R | A | -1.5128 | |
| 514 | F | A | -0.0702 | |
| 515 | M | A | 0.0000 | |
| 516 | I | A | 0.5527 | |
| 517 | A | A | 0.0000 | |
| 518 | Y | A | 0.0000 | |
| 519 | C | A | 0.9793 | |
| 520 | P | A | 0.3852 | |
| 521 | F | A | 0.1122 | |
| 522 | D | A | 0.0000 | |
| 523 | E | A | -1.0876 | |
| 524 | Q | A | -0.6977 | |
| 525 | S | A | -0.0017 | |
| 526 | L | A | 1.5435 | |
| 527 | L | A | 1.4422 | |
| 528 | D | A | 0.3839 | |
| 529 | L | A | 0.9884 | |
| 530 | T | A | 1.2109 | |
| 531 | V | A | 1.7422 | |
| 532 | F | A | 0.0000 | |
| 533 | A | A | 0.3270 | |
| 534 | G | A | 0.0758 | |
| 535 | T | A | -0.0194 | |
| 536 | T | A | -0.0935 | |
| 537 | T | A | -0.2389 | |
| 248 | P | B | -0.4265 | |
| 249 | S | B | -0.4815 | |
| 250 | S | B | -0.4780 | |
| 251 | T | B | -0.3314 | |
| 252 | S | B | -0.3924 | |
| 253 | P | B | -0.1502 | |
| 254 | V | B | 0.3758 | |
| 255 | Y | B | 0.0367 | |
| 256 | D | B | -1.0169 | |
| 257 | L | B | 0.0000 | |
| 258 | Q | B | -2.2028 | |
| 259 | R | B | -2.4315 | |
| 260 | Y | B | -1.5003 | |
| 261 | T | B | -1.6372 | |
| 262 | A | B | -1.8235 | |
| 263 | E | B | -2.5576 | |
| 264 | S | B | -1.8333 | |
| 265 | L | B | -1.7207 | |
| 266 | R | B | -2.7025 | |
| 267 | L | B | 0.0000 | |
| 268 | A | B | -1.0634 | |
| 269 | P | B | -0.7263 | |
| 270 | Y | B | -0.2043 | |
| 271 | P | B | -0.4962 | |
| 272 | A | B | -0.7223 | |
| 273 | D | B | -1.9620 | |
| 274 | L | B | 0.0000 | |
| 275 | K | B | 0.0000 | |
| 276 | V | B | 0.6174 | |
| 277 | P | B | 0.0000 | |
| 278 | T | B | 0.1831 | |
| 279 | A | B | 0.1450 | |
| 280 | F | B | 0.1269 | |
| 281 | P | B | -1.1279 | |
| 282 | Q | B | -2.2711 | |
| 283 | D | B | -2.9201 | |
| 284 | H | B | -2.7059 | |
| 285 | Q | B | -2.1499 | |
| 286 | P | B | -1.6399 | |
| 287 | R | B | -2.3100 | |
| 288 | G | B | -1.5459 | |
| 289 | R | B | -0.6558 | |
| 290 | I | B | 0.9047 | |
| 291 | L | B | 1.4898 | |
| 292 | L | B | 0.0000 | |
| 293 | S | B | 0.0000 | |
| 294 | H | B | -1.5050 | |
| 295 | D | B | -2.4012 | |
| 296 | E | B | -1.2569 | |
| 297 | L | B | 0.0000 | |
| 298 | M | B | 0.0000 | |
| 299 | H | B | -1.8379 | |
| 300 | T | B | 0.0000 | |
| 301 | D | B | -1.0364 | |
| 302 | Y | B | 0.0000 | |
| 303 | L | B | 0.0000 | |
| 304 | L | B | 0.0000 | |
| 305 | H | B | -0.5035 | |
| 306 | I | B | 0.0000 | |
| 307 | R | B | 0.0000 | |
| 308 | Q | B | -0.6707 | |
| 309 | Q | B | -0.0703 | |
| 310 | F | B | 0.0000 | |
| 311 | D | B | -0.8152 | |
| 312 | W | B | 0.2723 | |
| 313 | L | B | -0.7744 | |
| 314 | E | B | -2.3958 | |
| 315 | E | B | -2.9857 | |
| 316 | P | B | -2.0958 | |
| 317 | L | B | -1.0782 | |
| 318 | L | B | 0.0000 | |
| 319 | R | B | -2.5062 | |
| 320 | K | B | -1.9054 | |
| 321 | L | B | 0.0000 | |
| 322 | V | B | 0.0000 | |
| 323 | V | B | 0.0000 | |
| 324 | E | B | -1.0521 | |
| 325 | K | B | 0.0000 | |
| 326 | I | B | -0.0690 | |
| 327 | F | B | 0.0000 | |
| 328 | A | B | 0.0000 | |
| 329 | V | B | 0.0000 | |
| 330 | Y | B | 0.4212 | |
| 331 | N | B | 0.0000 | |
| 332 | A | B | 0.0000 | |
| 333 | P | B | -0.0250 | |
| 334 | N | B | 0.0000 | |
| 335 | L | B | 0.0000 | |
| 336 | H | B | -0.5240 | |
| 337 | T | B | -0.1261 | |
| 338 | L | B | 0.0000 | |
| 339 | L | B | 0.0000 | |
| 340 | A | B | -0.0032 | |
| 341 | I | B | 0.0000 | |
| 342 | I | B | 0.0000 | |
| 343 | D | B | 0.0000 | |
| 344 | E | B | 0.0000 | |
| 345 | T | B | 0.0000 | |
| 346 | L | B | 0.0000 | |
| 347 | S | B | 0.0000 | |
| 348 | Y | B | 0.0000 | |
| 349 | M | B | 0.0000 | |
| 350 | K | B | 0.0000 | |
| 351 | Y | B | 0.0000 | |
| 352 | H | B | 0.0000 | |
| 353 | H | B | -0.2827 | |
| 354 | L | B | 0.5732 | |
| 355 | H | B | 0.0093 | |
| 356 | G | B | -0.1808 | |
| 357 | L | B | 0.0000 | |
| 358 | P | B | 0.0000 | |
| 359 | V | B | 0.0000 | |
| 360 | N | B | 0.0000 | |
| 361 | P | B | 0.0000 | |
| 362 | H | B | -1.1986 | |
| 363 | D | B | 0.0000 | |
| 364 | P | B | 0.0000 | |
| 365 | Y | B | 0.0000 | |
| 366 | L | B | 0.0000 | |
| 367 | E | B | -0.6678 | |
| 368 | T | B | 0.0000 | |
| 369 | V | B | 0.0000 | |
| 370 | G | B | -0.2142 | |
| 371 | G | B | -0.2406 | |
| 372 | M | B | 0.0000 | |
| 373 | R | B | -0.9827 | |
| 374 | Q | B | -1.5235 | |
| 375 | L | B | -0.6200 | |
| 376 | L | B | 0.0000 | |
| 377 | F | B | 0.0000 | |
| 378 | N | B | -1.2269 | |
| 379 | K | B | -0.8380 | |
| 380 | L | B | 0.0000 | |
| 381 | N | B | -1.1856 | |
| 382 | N | B | 0.0000 | |
| 383 | L | B | 0.0000 | |
| 384 | D | B | -1.5001 | |
| 385 | L | B | 0.0000 | |
| 386 | G | B | 0.0000 | |
| 387 | C | B | -1.8051 | |
| 388 | I | B | 0.0000 | |
| 389 | L | B | 0.0000 | |
| 390 | D | B | -1.7509 | |
| 391 | H | B | -2.1803 | |
| 392 | Q | B | -2.5016 | |
| 393 | D | B | -2.5832 | |
| 394 | G | B | -1.2777 | |
| 395 | W | B | -0.6188 | |
| 396 | G | B | -1.4150 | |
| 397 | D | B | -2.0776 | |
| 398 | H | B | -1.6908 | |
| 399 | C | B | 0.0000 | |
| 400 | S | B | -1.3227 | |
| 401 | T | B | -1.3269 | |
| 402 | L | B | 0.0000 | |
| 403 | K | B | -2.1411 | |
| 404 | R | B | -2.0037 | |
| 405 | L | B | 0.0000 | |
| 406 | V | B | 0.0000 | |
| 407 | K | B | -2.4755 | |
| 408 | K | B | -2.6014 | |
| 409 | P | B | -2.1244 | |
| 410 | G | B | -1.8340 | |
| 411 | Q | B | -2.3443 | |
| 412 | M | B | 0.0000 | |
| 413 | S | B | -0.5275 | |
| 414 | A | B | -0.4757 | |
| 415 | W | B | 0.1825 | |
| 416 | L | B | -0.9851 | |
| 417 | R | B | -2.7774 | |
| 418 | D | B | -3.1842 | |
| 419 | D | B | -3.4156 | |
| 420 | V | B | 0.0000 | |
| 421 | C | B | -2.8999 | |
| 422 | D | B | -3.5873 | |
| 423 | L | B | -2.3333 | |
| 424 | Q | B | 0.0000 | |
| 425 | K | B | -2.9519 | |
| 426 | R | B | -2.2132 | |
| 427 | P | B | -1.4324 | |
| 428 | P | B | 0.0000 | |
| 429 | E | B | -1.1990 | |
| 430 | T | B | -0.7258 | |
| 431 | F | B | 0.0000 | |
| 432 | S | B | -0.2859 | |
| 433 | Q | B | -0.5362 | |
| 434 | P | B | -0.2550 | |
| 435 | M | B | 0.0000 | |
| 436 | H | B | 0.0000 | |
| 437 | R | B | -0.6232 | |
| 438 | A | B | 0.0000 | |
| 439 | M | B | 0.0000 | |
| 440 | A | B | 0.0000 | |
| 441 | Y | B | 0.0000 | |
| 442 | V | B | 0.0000 | |
| 443 | C | B | 0.0000 | |
| 444 | S | B | 0.0000 | |
| 445 | F | B | 0.0000 | |
| 446 | S | B | 0.0000 | |
| 447 | R | B | -0.3730 | |
| 448 | V | B | 0.0000 | |
| 449 | A | B | 0.0000 | |
| 450 | V | B | 0.3090 | |
| 451 | S | B | -0.7983 | |
| 452 | L | B | 0.0000 | |
| 453 | R | B | -1.4076 | |
| 454 | R | B | -2.2303 | |
| 455 | R | B | -2.3096 | |
| 456 | A | B | -1.0529 | |
| 457 | L | B | -0.1592 | |
| 458 | Q | B | -1.3033 | |
| 459 | V | B | -0.4395 | |
| 460 | T | B | -0.1121 | |
| 461 | G | B | -0.2169 | |
| 462 | T | B | -0.1284 | |
| 463 | P | B | 0.2010 | |
| 464 | Q | B | 0.0000 | |
| 465 | F | B | -0.3845 | |
| 466 | F | B | 0.0000 | |
| 467 | D | B | -2.2753 | |
| 468 | Q | B | -1.8000 | |
| 469 | F | B | -1.0381 | |
| 470 | D | B | 0.0000 | |
| 471 | T | B | -1.3227 | |
| 472 | N | B | 0.0000 | |
| 473 | N | B | -1.9946 | |
| 474 | A | B | 0.0000 | |
| 475 | M | B | 0.0000 | |
| 476 | G | B | -0.9120 | |
| 477 | T | B | -0.8529 | |
| 478 | Y | B | 0.0000 | |
| 479 | R | B | -1.1350 | |
| 480 | C | B | 0.0000 | |
| 481 | G | B | 0.0000 | |
| 482 | A | B | -0.5152 | |
| 483 | V | B | 0.0000 | |
| 484 | S | B | -0.2106 | |
| 485 | D | B | -0.2003 | |
| 486 | L | B | 0.0000 | |
| 487 | I | B | 0.0000 | |
| 488 | L | B | -0.1734 | |
| 489 | G | B | -0.1867 | |
| 490 | A | B | 0.0000 | |
| 491 | L | B | 0.0000 | |
| 492 | Q | B | -1.3849 | |
| 493 | C | B | -0.2822 | |
| 494 | H | B | -1.2590 | |
| 495 | E | B | -2.4201 | |
| 496 | C | B | -2.0775 | |
| 497 | Q | B | -2.4839 | |
| 498 | N | B | -2.7384 | |
| 499 | E | B | -3.1273 | |
| 500 | M | B | -2.3620 | |
| 501 | C | B | 0.0000 | |
| 502 | E | B | -3.4614 | |
| 503 | L | B | -2.1047 | |
| 504 | R | B | -1.6938 | |
| 505 | I | B | -1.3114 | |
| 506 | Q | B | -1.6756 | |
| 507 | R | B | -1.4232 | |
| 508 | A | B | 0.0000 | |
| 509 | L | B | -0.3028 | |
| 510 | A | B | -0.7214 | |
| 511 | P | B | -0.7025 | |
| 512 | Y | B | -0.6008 | |
| 513 | R | B | -1.4763 | |
| 514 | F | B | -0.0179 | |
| 515 | M | B | 0.0000 | |
| 516 | I | B | 0.5420 | |
| 517 | A | B | 0.0000 | |
| 518 | Y | B | 0.0000 | |
| 519 | C | B | 0.7640 | |
| 520 | P | B | 0.0000 | |
| 521 | F | B | 0.1249 | |
| 522 | D | B | 0.0000 | |
| 523 | E | B | -1.2399 | |
| 524 | Q | B | -0.7187 | |
| 525 | S | B | 0.0369 | |
| 526 | L | B | 1.5502 | |
| 527 | L | B | 1.4268 | |
| 528 | D | B | 0.6328 | |
| 529 | L | B | 1.1555 | |
| 530 | T | B | 1.2701 | |
| 531 | V | B | 1.8130 | |
| 532 | F | B | 0.0000 | |
| 533 | A | B | 0.3941 | |
| 534 | G | B | 0.0918 | |
| 535 | T | B | -0.0013 | |
| 536 | T | B | -0.1070 | |
| 537 | T | B | -0.2437 |
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 | -0.4443 | 3.2903 | View | CSV | PDB |
| 4.5 | -0.5083 | 3.1197 | View | CSV | PDB |
| 5.0 | -0.5836 | 2.9007 | View | CSV | PDB |
| 5.5 | -0.6584 | 2.6635 | View | CSV | PDB |
| 6.0 | -0.7236 | 2.4355 | View | CSV | PDB |
| 6.5 | -0.7746 | 2.2429 | View | CSV | PDB |
| 7.0 | -0.8129 | 2.1003 | View | CSV | PDB |
| 7.5 | -0.8439 | 2.0249 | View | CSV | PDB |
| 8.0 | -0.8706 | 2.0247 | View | CSV | PDB |
| 8.5 | -0.8909 | 2.0246 | View | CSV | PDB |
| 9.0 | -0.9005 | 2.0246 | 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