| 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 |
| 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 all 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] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4e02d73e8e9490f/tmp/folded.pdb (00:04:53)
[INFO] Main: Simulation completed successfully. (00:07:41)
|
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 | 1.0614 | |
| 202 | D | A | -0.9559 | |
| 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 | 0.0418 | |
| 210 | V | A | 0.6316 | |
| 211 | D | A | -1.3373 | |
| 243 | I | A | -0.4149 | |
| 244 | D | A | -1.4527 | |
| 245 | E | A | -0.9805 | |
| 246 | L | A | 0.0000 | |
| 247 | K | A | -0.7715 | |
| 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 | -0.2198 | |
| 255 | M | A | -0.0714 | |
| 256 | F | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | P | A | -0.5582 | |
| 259 | W | A | -0.6496 | |
| 260 | I | A | 0.0000 | |
| 261 | R | A | -1.4833 | |
| 262 | R | A | -1.2708 | |
| 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 | -1.9340 | |
| 269 | S | A | -0.9759 | |
| 270 | T | A | -0.6236 | |
| 271 | P | A | -0.6023 | |
| 272 | P | A | 0.0000 | |
| 273 | P | A | -0.5174 | |
| 274 | W | A | -0.8079 | |
| 275 | L | A | 0.0000 | |
| 276 | A | A | -1.6839 | |
| 277 | E | A | -2.2602 | |
| 278 | H | A | -1.5419 | |
| 279 | P | A | -0.9596 | |
| 280 | K | A | -1.1137 | |
| 281 | I | A | 0.0000 | |
| 282 | T | A | -0.3841 | |
| 283 | I | A | -0.3291 | |
| 284 | V | A | 0.0000 | |
| 285 | R | A | -2.2442 | |
| 286 | A | A | 0.0000 | |
| 287 | E | A | -3.7378 | |
| 288 | D | A | -3.0827 | |
| 289 | H | A | 0.0000 | |
| 290 | F | A | -2.0064 | |
| 291 | S | A | -1.9562 | |
| 292 | D | A | -2.9140 | |
| 293 | R | A | -3.3387 | |
| 294 | S | A | -1.6302 | |
| 295 | A | A | 0.0000 | |
| 296 | L | A | -1.0705 | |
| 297 | P | A | -0.6859 | |
| 298 | T | A | 0.0000 | |
| 299 | Y | A | 1.5264 | |
| 300 | N | A | 0.0000 | |
| 301 | S | A | 0.2530 | |
| 302 | H | A | -0.3414 | |
| 303 | A | A | 0.0000 | |
| 304 | V | A | 0.1610 | |
| 305 | E | A | -0.2710 | |
| 306 | S | A | 0.0000 | |
| 307 | Q | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | H | A | 0.0000 | |
| 310 | H | A | -0.7356 | |
| 311 | I | A | 0.0000 | |
| 312 | P | A | -0.9151 | |
| 313 | G | A | -0.7897 | |
| 314 | L | A | 0.0000 | |
| 315 | S | A | -0.8786 | |
| 316 | E | A | -0.8721 | |
| 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 | -0.5274 | |
| 323 | D | A | -0.6564 | |
| 324 | D | A | -1.0804 | |
| 325 | M | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | F | A | 0.0000 | |
| 328 | G | A | 0.0000 | |
| 329 | R | A | -1.7844 | |
| 330 | P | A | -1.3141 | |
| 331 | L | A | 0.0000 | |
| 332 | K | A | -1.9149 | |
| 333 | A | A | -0.8684 | |
| 334 | S | A | -0.7211 | |
| 335 | M | A | 0.0000 | |
| 336 | F | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | P | A | 0.0763 | |
| 340 | G | A | 0.0160 | |
| 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 | -1.7259 | |
| 387 | L | A | -0.5855 | |
| 388 | E | A | -0.8912 | |
| 389 | H | A | -0.5718 | |
| 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 | -0.5926 | |
| 396 | K | A | -0.5791 | |
| 397 | S | A | -0.2535 | |
| 398 | V | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | I | A | -0.2397 | |
| 401 | E | A | -1.1783 | |
| 402 | M | A | 0.0000 | |
| 403 | E | A | -1.8189 | |
| 404 | R | A | -2.8722 | |
| 405 | E | A | -2.9148 | |
| 406 | F | A | -1.9075 | |
| 407 | P | A | -2.4844 | |
| 408 | E | A | -2.8545 | |
| 409 | E | A | -2.3627 | |
| 410 | F | A | 0.0000 | |
| 411 | A | A | -1.9522 | |
| 412 | R | A | -2.5746 | |
| 413 | T | A | 0.0000 | |
| 414 | A | A | 0.0000 | |
| 415 | A | A | -1.0800 | |
| 416 | S | A | -0.2234 | |
| 417 | P | A | 0.6359 | |
| 418 | F | A | 1.1429 | |
| 419 | R | A | -1.2096 | |
| 420 | S | A | -1.4356 | |
| 421 | D | A | -2.0821 | |
| 422 | T | A | -1.7018 | |
| 423 | D | A | -1.4354 | |
| 424 | I | A | -0.7281 | |
| 425 | S | A | -0.5128 | |
| 426 | V | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | N | A | -0.6784 | |
| 429 | S | A | -0.1443 | |
| 430 | F | A | 0.5363 | |
| 431 | Y | A | 0.0000 | |
| 432 | H | A | 0.0000 | |
| 433 | Y | A | 1.4330 | |
| 434 | Y | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | L | A | 0.7414 | |
| 437 | M | A | 0.7640 | |
| 438 | T | A | 0.2672 | |
| 439 | G | A | -0.1991 | |
| 440 | R | A | -0.2477 | |
| 441 | A | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | P | A | -0.6613 | |
| 444 | Q | A | 0.0000 | |
| 445 | E | A | -2.1695 | |
| 446 | K | A | -2.3414 | |
| 447 | A | A | -1.6822 | |
| 448 | K | A | -1.8524 | |
| 449 | V | A | -0.3841 | |
| 450 | L | A | 0.1247 | |
| 451 | Y | A | 0.5438 | |
| 452 | V | A | 0.0000 | |
| 453 | D | A | -1.4459 | |
| 454 | T | A | 0.0000 | |
| 455 | T | A | 0.0000 | |
| 456 | S | A | -1.0976 | |
| 457 | Y | A | -0.5315 | |
| 458 | A | A | -0.4244 | |
| 459 | G | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | R | A | -2.0941 | |
| 462 | L | A | -1.0618 | |
| 463 | L | A | 0.0000 | |
| 464 | P | A | -2.2609 | |
| 465 | K | A | -3.0172 | |
| 466 | L | A | 0.0000 | |
| 467 | R | A | -2.6071 | |
| 468 | K | A | -3.1803 | |
| 469 | H | A | -2.7666 | |
| 470 | R | A | -2.3385 | |
| 471 | G | A | -1.5992 | |
| 472 | Y | A | -1.0487 | |
| 473 | D | A | -1.2651 | |
| 474 | F | A | 0.0000 | |
| 475 | F | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | L | A | 0.0000 | |
| 478 | N | A | -1.6703 | |
| 479 | D | A | -2.2665 | |
| 480 | G | A | -1.3423 | |
| 482 | F | A | 0.9783 | |
| 483 | P | A | -0.7975 | |
| 484 | E | A | -1.5692 | |
| 485 | V | A | 0.0000 | |
| 486 | P | A | -0.8425 | |
| 487 | A | A | -0.7203 | |
| 488 | A | A | -0.8227 | |
| 489 | Q | A | -1.3578 | |
| 490 | R | A | -1.6191 | |
| 491 | A | A | -1.2997 | |
| 492 | E | A | -2.3479 | |
| 493 | R | A | -2.3521 | |
| 494 | V | A | 0.0000 | |
| 495 | V | A | -1.1778 | |
| 496 | S | A | -1.5456 | |
| 497 | F | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | E | A | -1.7254 | |
| 500 | R | A | -2.2695 | |
| 501 | Y | A | 0.0000 | |
| 502 | F | A | 0.0000 | |
| 503 | P | A | -0.4652 | |
| 504 | I | A | 0.9413 | |
| 505 | P | A | -0.0417 | |
| 506 | A | A | 0.0000 | |
| 507 | P | A | -0.7828 | |
| 508 | W | A | 0.0000 | |
| 509 | E | A | -1.4861 | |
| 510 | K | A | -2.1504 | |
| 201 | F | B | 0.9955 | |
| 202 | D | B | -0.8662 | |
| 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 | 0.0347 | |
| 209 | W | B | 0.0037 | |
| 210 | V | B | 0.6290 | |
| 211 | D | B | -1.3370 | |
| 243 | I | B | -0.3615 | |
| 244 | D | B | -1.4106 | |
| 245 | E | B | -1.0283 | |
| 246 | L | B | 0.0000 | |
| 247 | K | B | -0.8890 | |
| 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 | -0.1709 | |
| 255 | M | B | 0.0165 | |
| 256 | F | B | 0.0000 | |
| 257 | A | B | 0.0000 | |
| 258 | P | B | -0.5109 | |
| 259 | W | B | -0.5247 | |
| 260 | I | B | 0.0000 | |
| 261 | R | B | -1.2023 | |
| 262 | R | B | -1.3623 | |
| 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 | -1.8494 | |
| 269 | S | B | -0.9829 | |
| 270 | T | B | -0.6286 | |
| 271 | P | B | -0.3793 | |
| 272 | P | B | 0.0000 | |
| 273 | P | B | -0.4674 | |
| 274 | W | B | -0.7346 | |
| 275 | L | B | -0.9417 | |
| 276 | A | B | -1.5808 | |
| 277 | E | B | -2.2438 | |
| 278 | H | B | -1.6100 | |
| 279 | P | B | -1.1657 | |
| 280 | K | B | -1.4354 | |
| 281 | I | B | 0.0000 | |
| 282 | T | B | -0.4538 | |
| 283 | I | B | -0.2757 | |
| 284 | V | B | 0.0000 | |
| 285 | R | B | -1.9323 | |
| 286 | A | B | 0.0000 | |
| 287 | E | B | -3.1705 | |
| 288 | D | B | -2.8131 | |
| 289 | H | B | 0.0000 | |
| 290 | F | B | 0.0000 | |
| 291 | S | B | -1.8136 | |
| 292 | D | B | -2.5303 | |
| 293 | R | B | -3.1801 | |
| 294 | S | B | -1.6799 | |
| 295 | A | B | -1.3515 | |
| 296 | L | B | -0.8387 | |
| 297 | P | B | -0.5859 | |
| 298 | T | B | 0.0000 | |
| 299 | Y | B | 1.5813 | |
| 300 | N | B | 0.0000 | |
| 301 | S | B | 0.1167 | |
| 302 | H | B | -0.3192 | |
| 303 | A | B | 0.0000 | |
| 304 | V | B | 0.1962 | |
| 305 | E | B | -0.2853 | |
| 306 | S | B | 0.0000 | |
| 307 | Q | B | 0.0000 | |
| 308 | L | B | 0.0000 | |
| 309 | H | B | 0.0000 | |
| 310 | H | B | -0.6377 | |
| 311 | I | B | 0.0000 | |
| 312 | P | B | -0.8712 | |
| 313 | G | B | -0.7585 | |
| 314 | L | B | 0.0000 | |
| 315 | S | B | -0.8757 | |
| 316 | E | B | -0.8817 | |
| 317 | H | B | -0.5679 | |
| 318 | F | B | 0.0000 | |
| 319 | L | B | 0.0000 | |
| 320 | Y | B | 0.0000 | |
| 321 | S | B | 0.0000 | |
| 322 | N | B | -0.5141 | |
| 323 | D | B | -0.7873 | |
| 324 | D | B | -1.3910 | |
| 325 | M | B | 0.0000 | |
| 326 | F | B | 0.0000 | |
| 327 | F | B | 0.0000 | |
| 328 | G | B | 0.0000 | |
| 329 | R | B | -1.5796 | |
| 330 | P | B | -1.1727 | |
| 331 | L | B | 0.0000 | |
| 332 | K | B | -1.8761 | |
| 333 | A | B | -0.8486 | |
| 334 | S | B | -0.7508 | |
| 335 | M | B | -0.8184 | |
| 336 | F | B | 0.0000 | |
| 337 | F | B | 0.0000 | |
| 338 | S | B | 0.0000 | |
| 339 | P | B | 0.2747 | |
| 340 | G | B | 0.2847 | |
| 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 | -1.0421 | |
| 347 | E | B | -1.7205 | |
| 348 | A | B | -1.0936 | |
| 365 | E | B | -2.7790 | |
| 366 | N | B | -2.3234 | |
| 367 | A | B | -2.3833 | |
| 368 | A | B | -2.1265 | |
| 369 | R | B | -3.0139 | |
| 370 | V | B | 0.0000 | |
| 371 | N | B | 0.0000 | |
| 372 | R | B | -1.2051 | |
| 373 | Q | B | -1.8560 | |
| 374 | L | B | -1.1520 | |
| 375 | L | B | 0.0000 | |
| 376 | F | B | -0.9148 | |
| 377 | D | B | -2.3700 | |
| 378 | R | B | -2.2589 | |
| 379 | F | B | -0.9433 | |
| 380 | G | B | -0.9470 | |
| 381 | Q | B | -1.0202 | |
| 382 | V | B | 0.0000 | |
| 383 | I | B | 1.1905 | |
| 384 | T | B | 0.0000 | |
| 385 | R | B | -2.3036 | |
| 386 | H | B | -2.5757 | |
| 387 | L | B | 0.0000 | |
| 388 | E | B | -0.9880 | |
| 389 | H | B | -0.6754 | |
| 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 | -0.5957 | |
| 396 | K | B | -0.5250 | |
| 397 | S | B | -0.2071 | |
| 398 | V | B | 0.0000 | |
| 399 | L | B | 0.0000 | |
| 400 | I | B | -0.0187 | |
| 401 | E | B | -1.0631 | |
| 402 | M | B | 0.0000 | |
| 403 | E | B | -1.8173 | |
| 404 | R | B | -2.8097 | |
| 405 | E | B | -2.6463 | |
| 406 | F | B | 0.0000 | |
| 407 | P | B | -2.2275 | |
| 408 | E | B | -2.6982 | |
| 409 | E | B | -1.6630 | |
| 410 | F | B | 0.0000 | |
| 411 | A | B | -1.4349 | |
| 412 | R | B | -1.4757 | |
| 413 | T | B | 0.0000 | |
| 414 | A | B | 0.0000 | |
| 415 | A | B | -0.5726 | |
| 416 | S | B | 0.0855 | |
| 417 | P | B | 0.8165 | |
| 418 | F | B | 1.1599 | |
| 419 | R | B | -1.1800 | |
| 420 | S | B | -1.4448 | |
| 421 | D | B | -2.3249 | |
| 422 | T | B | -1.4720 | |
| 423 | D | B | 0.0000 | |
| 424 | I | B | 0.0000 | |
| 425 | S | B | -1.0057 | |
| 426 | V | B | 0.0000 | |
| 427 | T | B | 0.0000 | |
| 428 | N | B | -1.9410 | |
| 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 | -0.1261 | |
| 438 | T | B | -0.0765 | |
| 439 | G | B | -0.3516 | |
| 440 | R | B | -0.5094 | |
| 441 | A | B | 0.0000 | |
| 442 | V | B | 0.0000 | |
| 443 | P | B | -0.6222 | |
| 444 | Q | B | 0.0000 | |
| 445 | E | B | -2.4640 | |
| 446 | K | B | -2.8417 | |
| 447 | A | B | -1.8278 | |
| 448 | K | B | -1.9695 | |
| 449 | V | B | -0.3938 | |
| 450 | L | B | 0.3831 | |
| 451 | Y | B | 0.9323 | |
| 452 | V | B | 0.0000 | |
| 453 | D | B | -1.1881 | |
| 454 | T | B | 0.0000 | |
| 455 | T | B | -1.1588 | |
| 456 | S | B | -0.9781 | |
| 457 | Y | B | -0.1262 | |
| 458 | A | B | -0.4237 | |
| 459 | G | B | -0.5403 | |
| 460 | L | B | 0.0000 | |
| 461 | R | B | -1.8778 | |
| 462 | L | B | -1.0605 | |
| 463 | L | B | 0.0000 | |
| 464 | P | B | -2.0284 | |
| 465 | K | B | -2.8963 | |
| 466 | L | B | 0.0000 | |
| 467 | R | B | -2.7448 | |
| 468 | K | B | -3.2205 | |
| 469 | H | B | -2.7761 | |
| 470 | R | B | -2.3797 | |
| 471 | G | B | -1.6869 | |
| 472 | Y | B | -0.9714 | |
| 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 | -1.7408 | |
| 479 | D | B | -2.2600 | |
| 480 | G | B | -1.1258 | |
| 481 | S | B | 0.0246 | |
| 482 | F | B | 1.0616 | |
| 483 | P | B | -0.5074 | |
| 484 | E | B | -1.3628 | |
| 485 | V | B | 0.0000 | |
| 486 | P | B | -0.5761 | |
| 487 | A | B | -0.7675 | |
| 488 | A | B | -0.7883 | |
| 489 | Q | B | -1.4564 | |
| 490 | R | B | 0.0000 | |
| 491 | A | B | -1.1272 | |
| 492 | E | B | -2.1229 | |
| 493 | R | B | -1.5424 | |
| 494 | V | B | 0.0000 | |
| 495 | V | B | -1.1749 | |
| 496 | S | B | -1.3997 | |
| 497 | F | B | 0.0000 | |
| 498 | L | B | 0.0000 | |
| 499 | E | B | -1.9747 | |
| 500 | R | B | -2.3983 | |
| 501 | Y | B | 0.0000 | |
| 502 | F | B | 0.0000 | |
| 503 | P | B | -0.5772 | |
| 504 | I | B | 0.9819 | |
| 505 | P | B | -0.0399 | |
| 506 | A | B | 0.0000 | |
| 507 | P | B | -0.8144 | |
| 508 | W | B | 0.0000 | |
| 509 | E | B | -1.4308 | |
| 510 | K | B | -2.0934 |
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 | -0.3823 | 4.8935 | View | CSV | PDB |
| 4.5 | -0.45 | 4.7983 | View | CSV | PDB |
| 5.0 | -0.5316 | 4.6609 | View | CSV | PDB |
| 5.5 | -0.6143 | 4.4992 | View | CSV | PDB |
| 6.0 | -0.6857 | 4.3325 | View | CSV | PDB |
| 6.5 | -0.7374 | 4.1779 | View | CSV | PDB |
| 7.0 | -0.7687 | 4.0509 | View | CSV | PDB |
| 7.5 | -0.785 | 3.9548 | View | CSV | PDB |
| 8.0 | -0.7919 | 3.8794 | View | CSV | PDB |
| 8.5 | -0.7905 | 3.8167 | View | CSV | PDB |
| 9.0 | -0.7793 | 3.7675 | 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