| Chain sequence(s) |
A: FDIDMVFSWVDIDELKYALRSVNMFAPWIRRIFIATDSTPPPWLAEHPKITIVRAEDHFSDRSALPTYNSHAVESQLHHIPGLSEHFLYSNDDMFFGRPLKASMFFSPGGVTRFIELEHTAVPLRKSVLIEMEREFPEEFARTAASPFRSDTDISVTNSFYHYYALMTGRAVPQEKAKVLYVDTTSYAGLRLLPKLRKHRGYDFFCLNDGFPEVPAAQRAERVVSFLERYFPIPAPWEK
B: FDIDMVFSWVDIDELKYALRSVNMFAPWIRRIFIATDSTPPPWLAEHPKITIVRAEDHFSDRSALPTYNSHAVESQLHHIPGLSEHFLYSNDDMFFGRPLKASMFFSPGGVTRFIEAENAARVNRQLLFDRFGQVITRHLEHTAVPLRKSVLIEMEREFPEEFARTAASPFRSDTDISVTNSFYHYYALMTGRAVPQEKAKVLYVDTTSYAGLRLLPKLRKHRGYDFFCLNDGSFPEVPAAQRAERVVSFLERYFPIPAPWEK 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 |
| Mutated residues | PV258A,WV259A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 7.68744 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] FoldX: Building mutant model (00:03:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:23)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/84bf2c055b52efe/tmp/folded.pdb (00:03:23)
[INFO] Main: Simulation completed successfully. (00:09:31)
|
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 |
|---|---|---|---|---|
| 201 | F | A | 1.0843 | |
| 202 | D | A | -0.6860 | |
| 203 | I | A | 0.0000 | |
| 204 | D | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | F | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | W | A | 0.0415 | |
| 210 | V | A | 0.6304 | |
| 211 | D | A | -1.3388 | |
| 243 | I | A | -0.4199 | |
| 244 | D | A | -1.4580 | |
| 245 | E | A | -0.9680 | |
| 246 | L | A | 0.0000 | |
| 247 | K | A | -0.7704 | |
| 248 | Y | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | R | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | N | A | 0.6856 | |
| 255 | M | A | 0.5070 | |
| 256 | F | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | V | A | 2.2392 | mutated: PV258A |
| 259 | V | A | 1.8570 | mutated: WV259A |
| 260 | I | A | 0.0000 | |
| 261 | R | A | -0.7502 | |
| 262 | R | A | -1.1143 | |
| 263 | I | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | I | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | D | A | -1.9382 | |
| 269 | S | A | -0.9773 | |
| 270 | T | A | -0.6219 | |
| 271 | P | A | -0.5986 | |
| 272 | P | A | 0.0000 | |
| 273 | P | A | -0.5162 | |
| 274 | W | A | -0.8079 | |
| 275 | L | A | 0.0000 | |
| 276 | A | A | -1.6823 | |
| 277 | E | A | -2.2583 | |
| 278 | H | A | -1.5406 | |
| 279 | P | A | -0.9634 | |
| 280 | K | A | -1.1220 | |
| 281 | I | A | 0.0000 | |
| 282 | T | A | -0.3855 | |
| 283 | I | A | -0.3244 | |
| 284 | V | A | 0.0000 | |
| 285 | R | A | -2.2579 | |
| 286 | A | A | 0.0000 | |
| 287 | E | A | -3.7427 | |
| 288 | D | A | -3.0878 | |
| 289 | H | A | 0.0000 | |
| 290 | F | A | -2.0105 | |
| 291 | S | A | -1.9573 | |
| 292 | D | A | -2.9137 | |
| 293 | R | A | -3.3384 | |
| 294 | S | A | -1.6298 | |
| 295 | A | A | 0.0000 | |
| 296 | L | A | -1.0673 | |
| 297 | P | A | -0.6826 | |
| 298 | T | A | 0.0000 | |
| 299 | Y | A | 1.5318 | |
| 300 | N | A | 0.0000 | |
| 301 | S | A | 0.2619 | |
| 302 | H | A | -0.3177 | |
| 303 | A | A | 0.0000 | |
| 304 | V | A | 0.1659 | |
| 305 | E | A | -0.2426 | |
| 306 | S | A | 0.0000 | |
| 307 | Q | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | H | A | 0.0000 | |
| 310 | H | A | -0.7380 | |
| 311 | I | A | 0.0000 | |
| 312 | P | A | -0.9170 | |
| 313 | G | A | -0.7922 | |
| 314 | L | A | 0.0000 | |
| 315 | S | A | -0.8646 | |
| 316 | E | A | -0.8582 | |
| 317 | H | A | 0.0000 | |
| 318 | F | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | Y | A | 0.0000 | |
| 321 | S | A | 0.0000 | |
| 322 | N | A | -0.5322 | |
| 323 | D | A | -0.6635 | |
| 324 | D | A | -1.0801 | |
| 325 | M | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | F | A | 0.0000 | |
| 328 | G | A | 0.0000 | |
| 329 | R | A | -1.5620 | |
| 330 | P | A | -0.8681 | |
| 331 | L | A | -0.6684 | |
| 332 | K | A | -1.3373 | |
| 333 | A | A | -0.2815 | |
| 334 | S | A | -0.7057 | |
| 335 | M | A | 0.0000 | |
| 336 | F | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | P | A | 0.0672 | |
| 340 | G | A | 0.0136 | |
| 341 | G | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | T | A | 0.0000 | |
| 344 | R | A | 0.0000 | |
| 345 | F | A | 0.0000 | |
| 346 | I | A | 0.0000 | |
| 347 | E | A | -1.7251 | |
| 387 | L | A | -0.5551 | |
| 388 | E | A | -0.8755 | |
| 389 | H | A | -0.5539 | |
| 390 | T | A | 0.0000 | |
| 391 | A | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | P | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | R | A | -0.5898 | |
| 396 | K | A | -0.5722 | |
| 397 | S | A | -0.2470 | |
| 398 | V | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | I | A | -0.2194 | |
| 401 | E | A | -1.1796 | |
| 402 | M | A | 0.0000 | |
| 403 | E | A | -1.8260 | |
| 404 | R | A | -2.8749 | |
| 405 | E | A | -2.9291 | |
| 406 | F | A | -1.9449 | |
| 407 | P | A | -2.5174 | |
| 408 | E | A | -2.9054 | |
| 409 | E | A | -2.4295 | |
| 410 | F | A | 0.0000 | |
| 411 | A | A | -1.9770 | |
| 412 | R | A | -2.5975 | |
| 413 | T | A | 0.0000 | |
| 414 | A | A | 0.0000 | |
| 415 | A | A | -1.0800 | |
| 416 | S | A | -0.2162 | |
| 417 | P | A | 0.6507 | |
| 418 | F | A | 1.1499 | |
| 419 | R | A | -1.2069 | |
| 420 | S | A | -1.4369 | |
| 421 | D | A | -2.0845 | |
| 422 | T | A | -1.7125 | |
| 423 | D | A | -1.4495 | |
| 424 | I | A | -0.7278 | |
| 425 | S | A | -0.4712 | |
| 426 | V | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | N | A | -0.5530 | |
| 429 | S | A | -0.0813 | |
| 430 | F | A | 0.5706 | |
| 431 | Y | A | 0.0000 | |
| 432 | H | A | 0.0000 | |
| 433 | Y | A | 1.4499 | |
| 434 | Y | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | L | A | 0.7487 | |
| 437 | M | A | 0.7668 | |
| 438 | T | A | 0.2724 | |
| 439 | G | A | -0.1892 | |
| 440 | R | A | -0.2304 | |
| 441 | A | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | P | A | -0.6566 | |
| 444 | Q | A | 0.0000 | |
| 445 | E | A | -2.1709 | |
| 446 | K | A | -2.3507 | |
| 447 | A | A | -1.6900 | |
| 448 | K | A | -1.8593 | |
| 449 | V | A | -0.3872 | |
| 450 | L | A | 0.1207 | |
| 451 | Y | A | 0.5441 | |
| 452 | V | A | 0.0000 | |
| 453 | D | A | -1.4476 | |
| 454 | T | A | 0.0000 | |
| 455 | T | A | 0.0000 | |
| 456 | S | A | -1.1051 | |
| 457 | Y | A | -0.5472 | |
| 458 | A | A | -0.4324 | |
| 459 | G | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | R | A | -2.0936 | |
| 462 | L | A | -1.0508 | |
| 463 | L | A | 0.0000 | |
| 464 | P | A | -2.2405 | |
| 465 | K | A | -2.9786 | |
| 466 | L | A | 0.0000 | |
| 467 | R | A | -2.5919 | |
| 468 | K | A | -3.1677 | |
| 469 | H | A | -2.7630 | |
| 470 | R | A | -2.3163 | |
| 471 | G | A | -1.5799 | |
| 472 | Y | A | -1.0216 | |
| 473 | D | A | -1.1818 | |
| 474 | F | A | 0.0000 | |
| 475 | F | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | L | A | 0.0000 | |
| 478 | N | A | -1.6677 | |
| 479 | D | A | -2.2649 | |
| 480 | G | A | -1.3417 | |
| 482 | F | A | 0.9783 | |
| 483 | P | A | -0.7996 | |
| 484 | E | A | -1.5726 | |
| 485 | V | A | 0.0000 | |
| 486 | P | A | -0.8443 | |
| 487 | A | A | -0.7205 | |
| 488 | A | A | -0.8263 | |
| 489 | Q | A | -1.3645 | |
| 490 | R | A | -1.6279 | |
| 491 | A | A | -1.3089 | |
| 492 | E | A | -2.3602 | |
| 493 | R | A | -2.3777 | |
| 494 | V | A | 0.0000 | |
| 495 | V | A | -1.1920 | |
| 496 | S | A | -1.5620 | |
| 497 | F | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | E | A | -1.7543 | |
| 500 | R | A | -2.2830 | |
| 501 | Y | A | 0.0000 | |
| 502 | F | A | 0.0000 | |
| 503 | P | A | -0.4806 | |
| 504 | I | A | 0.9449 | |
| 505 | P | A | -0.0352 | |
| 506 | A | A | 0.0000 | |
| 507 | P | A | -0.7696 | |
| 508 | W | A | 0.0000 | |
| 509 | E | A | -1.4852 | |
| 510 | K | A | -2.1496 | |
| 201 | F | B | 0.9998 | |
| 202 | D | B | -0.8604 | |
| 203 | I | B | 0.0000 | |
| 204 | D | B | 0.0000 | |
| 205 | M | B | 0.0000 | |
| 206 | V | B | 0.0000 | |
| 207 | F | B | 0.0000 | |
| 208 | S | B | 0.0583 | |
| 209 | W | B | 0.0017 | |
| 210 | V | B | 0.6280 | |
| 211 | D | B | -1.3377 | |
| 243 | I | B | -0.3605 | |
| 244 | D | B | -1.4136 | |
| 245 | E | B | -1.0279 | |
| 246 | L | B | 0.0000 | |
| 247 | K | B | -0.8912 | |
| 248 | Y | B | 0.0000 | |
| 249 | A | B | 0.0000 | |
| 250 | L | B | 0.0000 | |
| 251 | R | B | 0.0000 | |
| 252 | S | B | 0.0000 | |
| 253 | V | B | 0.0000 | |
| 254 | N | B | -0.1697 | |
| 255 | M | B | 0.0549 | |
| 256 | F | B | 0.0000 | |
| 257 | A | B | 0.0000 | |
| 258 | P | B | -0.5025 | |
| 259 | W | B | -0.5054 | |
| 260 | I | B | 0.0000 | |
| 261 | R | B | -1.2001 | |
| 262 | R | B | -1.3741 | |
| 263 | I | B | 0.0000 | |
| 264 | F | B | 0.0000 | |
| 265 | I | B | 0.0000 | |
| 266 | A | B | 0.0000 | |
| 267 | T | B | 0.0000 | |
| 268 | D | B | -1.8470 | |
| 269 | S | B | -0.9817 | |
| 270 | T | B | -0.6261 | |
| 271 | P | B | -0.3746 | |
| 272 | P | B | 0.0000 | |
| 273 | P | B | -0.4663 | |
| 274 | W | B | -0.7341 | |
| 275 | L | B | -0.9399 | |
| 276 | A | B | -1.5794 | |
| 277 | E | B | -2.2415 | |
| 278 | H | B | -1.6078 | |
| 279 | P | B | -1.1652 | |
| 280 | K | B | -1.4335 | |
| 281 | I | B | 0.0000 | |
| 282 | T | B | -0.4517 | |
| 283 | I | B | -0.2651 | |
| 284 | V | B | 0.0000 | |
| 285 | R | B | -1.9283 | |
| 286 | A | B | 0.0000 | |
| 287 | E | B | -3.1598 | |
| 288 | D | B | -2.8136 | |
| 289 | H | B | 0.0000 | |
| 290 | F | B | 0.0000 | |
| 291 | S | B | -1.8194 | |
| 292 | D | B | -2.5285 | |
| 293 | R | B | -3.1770 | |
| 294 | S | B | -1.6785 | |
| 295 | A | B | -1.3489 | |
| 296 | L | B | -0.8373 | |
| 297 | P | B | -0.5848 | |
| 298 | T | B | 0.0000 | |
| 299 | Y | B | 1.5812 | |
| 300 | N | B | 0.0000 | |
| 301 | S | B | 0.1653 | |
| 302 | H | B | -0.2573 | |
| 303 | A | B | 0.0000 | |
| 304 | V | B | 0.2815 | |
| 305 | E | B | 0.0000 | |
| 306 | S | B | 0.0000 | |
| 307 | Q | B | 0.0000 | |
| 308 | L | B | 0.0000 | |
| 309 | H | B | 0.0000 | |
| 310 | H | B | -0.6889 | |
| 311 | I | B | 0.0000 | |
| 312 | P | B | -0.8874 | |
| 313 | G | B | -0.7733 | |
| 314 | L | B | 0.0000 | |
| 315 | S | B | -0.8707 | |
| 316 | E | B | -0.8636 | |
| 317 | H | B | -0.5585 | |
| 318 | F | B | 0.0000 | |
| 319 | L | B | 0.0000 | |
| 320 | Y | B | 0.0000 | |
| 321 | S | B | 0.0000 | |
| 322 | N | B | -0.5221 | |
| 323 | D | B | -0.7917 | |
| 324 | D | B | -1.3971 | |
| 325 | M | B | 0.0000 | |
| 326 | F | B | 0.0000 | |
| 327 | F | B | 0.0000 | |
| 328 | G | B | 0.0000 | |
| 329 | R | B | -1.3917 | |
| 330 | P | B | -1.0816 | |
| 331 | L | B | 0.0000 | |
| 332 | K | B | -1.8414 | |
| 333 | A | B | -0.8232 | |
| 334 | S | B | -0.7098 | |
| 335 | M | B | -0.8108 | |
| 336 | F | B | 0.0000 | |
| 337 | F | B | 0.0000 | |
| 338 | S | B | 0.0000 | |
| 339 | P | B | 0.2866 | |
| 340 | G | B | 0.2916 | |
| 341 | G | B | 0.0000 | |
| 342 | V | B | 0.0000 | |
| 343 | T | B | 0.0000 | |
| 344 | R | B | 0.0000 | |
| 345 | F | B | 0.0000 | |
| 346 | I | B | -1.0364 | |
| 347 | E | B | -1.7141 | |
| 348 | A | B | -1.0929 | |
| 365 | E | B | -2.7803 | |
| 366 | N | B | -2.3181 | |
| 367 | A | B | -2.3853 | |
| 368 | A | B | -2.1346 | |
| 369 | R | B | -3.0147 | |
| 370 | V | B | 0.0000 | |
| 371 | N | B | 0.0000 | |
| 372 | R | B | -1.2333 | |
| 373 | Q | B | -1.8814 | |
| 374 | L | B | -1.1850 | |
| 375 | L | B | 0.0000 | |
| 376 | F | B | -0.9855 | |
| 377 | D | B | -2.4051 | |
| 378 | R | B | -2.2832 | |
| 379 | F | B | -0.9741 | |
| 380 | G | B | -0.9838 | |
| 381 | Q | B | -1.0451 | |
| 382 | V | B | 0.0000 | |
| 383 | I | B | 1.1769 | |
| 384 | T | B | 0.0000 | |
| 385 | R | B | -2.3393 | |
| 386 | H | B | -2.5786 | |
| 387 | L | B | 0.0000 | |
| 388 | E | B | -0.9860 | |
| 389 | H | B | -0.6783 | |
| 390 | T | B | 0.0000 | |
| 391 | A | B | 0.0000 | |
| 392 | V | B | 0.0000 | |
| 393 | P | B | 0.0000 | |
| 394 | L | B | 0.0000 | |
| 395 | R | B | -0.5997 | |
| 396 | K | B | -0.5429 | |
| 397 | S | B | -0.2234 | |
| 398 | V | B | 0.0000 | |
| 399 | L | B | 0.0000 | |
| 400 | I | B | -0.0825 | |
| 401 | E | B | -1.1144 | |
| 402 | M | B | 0.0000 | |
| 403 | E | B | -1.8668 | |
| 404 | R | B | -2.8677 | |
| 405 | E | B | -2.7452 | |
| 406 | F | B | 0.0000 | |
| 407 | P | B | -2.2577 | |
| 408 | E | B | -2.7087 | |
| 409 | E | B | -1.6724 | |
| 410 | F | B | 0.0000 | |
| 411 | A | B | -1.4309 | |
| 412 | R | B | -1.4663 | |
| 413 | T | B | 0.0000 | |
| 414 | A | B | 0.0000 | |
| 415 | A | B | -0.5682 | |
| 416 | S | B | 0.0886 | |
| 417 | P | B | 0.8168 | |
| 418 | F | B | 1.1600 | |
| 419 | R | B | -1.1803 | |
| 420 | S | B | -1.4442 | |
| 421 | D | B | -2.3234 | |
| 422 | T | B | -1.4697 | |
| 423 | D | B | 0.0000 | |
| 424 | I | B | 0.0000 | |
| 425 | S | B | -0.9741 | |
| 426 | V | B | 0.0000 | |
| 427 | T | B | 0.0000 | |
| 428 | N | B | -1.9218 | |
| 429 | S | B | 0.0000 | |
| 430 | F | B | 0.0000 | |
| 431 | Y | B | 0.0000 | |
| 432 | H | B | 0.0000 | |
| 433 | Y | B | 0.0000 | |
| 434 | Y | B | 0.0000 | |
| 435 | A | B | 0.0000 | |
| 436 | L | B | 0.0000 | |
| 437 | M | B | -0.1291 | |
| 438 | T | B | -0.0776 | |
| 439 | G | B | -0.3488 | |
| 440 | R | B | -0.5046 | |
| 441 | A | B | 0.0000 | |
| 442 | V | B | 0.0000 | |
| 443 | P | B | -0.6172 | |
| 444 | Q | B | 0.0000 | |
| 445 | E | B | -2.4561 | |
| 446 | K | B | -2.8424 | |
| 447 | A | B | -1.8288 | |
| 448 | K | B | -1.9720 | |
| 449 | V | B | -0.3979 | |
| 450 | L | B | 0.3881 | |
| 451 | Y | B | 0.9481 | |
| 452 | V | B | 0.0000 | |
| 453 | D | B | -1.1794 | |
| 454 | T | B | 0.0000 | |
| 455 | T | B | -1.1501 | |
| 456 | S | B | -0.9733 | |
| 457 | Y | B | -0.1238 | |
| 458 | A | B | -0.4218 | |
| 459 | G | B | -0.5364 | |
| 460 | L | B | 0.0000 | |
| 461 | R | B | -1.8818 | |
| 462 | L | B | -1.0765 | |
| 463 | L | B | 0.0000 | |
| 464 | P | B | -2.0814 | |
| 465 | K | B | -2.9330 | |
| 466 | L | B | 0.0000 | |
| 467 | R | B | -2.8381 | |
| 468 | K | B | -3.2665 | |
| 469 | H | B | -2.7987 | |
| 470 | R | B | -2.3618 | |
| 471 | G | B | -1.6627 | |
| 472 | Y | B | -0.9290 | |
| 473 | D | B | 0.0000 | |
| 474 | F | B | 0.0000 | |
| 475 | F | B | 0.0000 | |
| 476 | C | B | 0.0000 | |
| 477 | L | B | 0.0000 | |
| 478 | N | B | -1.7400 | |
| 479 | D | B | -2.2592 | |
| 480 | G | B | -1.1224 | |
| 481 | S | B | 0.0277 | |
| 482 | F | B | 1.0679 | |
| 483 | P | B | -0.4944 | |
| 484 | E | B | -1.3558 | |
| 485 | V | B | 0.0000 | |
| 486 | P | B | -0.5601 | |
| 487 | A | B | -0.7551 | |
| 488 | A | B | -0.7745 | |
| 489 | Q | B | -1.4299 | |
| 490 | R | B | 0.0000 | |
| 491 | A | B | -1.1193 | |
| 492 | E | B | -2.1155 | |
| 493 | R | B | -1.5408 | |
| 494 | V | B | 0.0000 | |
| 495 | V | B | -1.1782 | |
| 496 | S | B | -1.4055 | |
| 497 | F | B | 0.0000 | |
| 498 | L | B | 0.0000 | |
| 499 | E | B | -1.9885 | |
| 500 | R | B | -2.4172 | |
| 501 | Y | B | 0.0000 | |
| 502 | F | B | 0.0000 | |
| 503 | P | B | -0.5661 | |
| 504 | I | B | 1.0154 | |
| 505 | P | B | -0.0239 | |
| 506 | A | B | 0.0000 | |
| 507 | P | B | -0.8053 | |
| 508 | W | B | 0.0000 | |
| 509 | E | B | -1.4281 | |
| 510 | K | B | -2.0920 |
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 | -0.377 | 4.8867 | View | CSV | PDB |
| 4.5 | -0.4439 | 4.7875 | View | CSV | PDB |
| 5.0 | -0.5249 | 4.6472 | View | CSV | PDB |
| 5.5 | -0.6072 | 4.4844 | View | CSV | PDB |
| 6.0 | -0.6789 | 4.3181 | View | CSV | PDB |
| 6.5 | -0.7314 | 4.1652 | View | CSV | PDB |
| 7.0 | -0.7631 | 4.0408 | View | CSV | PDB |
| 7.5 | -0.7795 | 3.9468 | View | CSV | PDB |
| 8.0 | -0.7861 | 3.8726 | View | CSV | PDB |
| 8.5 | -0.7844 | 3.811 | View | CSV | PDB |
| 9.0 | -0.7728 | 3.7634 | 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