Project name: Tau filament
Status: done
Started: 2026-04-20 16:36:43
| Chain sequence(s) |
A: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
C: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF B: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF E: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF D: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF G: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF F: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF I: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF H: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF J: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,I,H,J |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| 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] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] CABS: Running CABS flex simulation (00:22:26)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:35:30)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:35:37)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:35:43)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:35:49)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:35:55)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:36:01)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:36:08)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:36:16)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:36:23)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:36:29)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:36:37)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:36:46)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:36:53)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:37:10)
[INFO] Main: Simulation completed successfully. (02:37:19)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -5.2793
- Maximal score value
- 3.8433
- Average score
- -0.6096
- Total score value
- -445.04
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 |
|---|---|---|---|---|
| 306 | V | A | 1.9674 | |
| 307 | Q | A | 0.9431 | |
| 308 | I | A | 1.2770 | |
| 309 | V | A | 0.8365 | |
| 310 | Y | A | 0.0000 | |
| 311 | K | A | -0.9623 | |
| 312 | P | A | 0.0184 | |
| 313 | V | A | 2.0683 | |
| 314 | D | A | 0.0000 | |
| 315 | L | A | 1.2467 | |
| 316 | S | A | -0.1795 | |
| 317 | K | A | -1.7095 | |
| 318 | V | A | -0.9649 | |
| 319 | T | A | -1.0296 | |
| 320 | S | A | -1.3203 | |
| 321 | K | A | -2.1613 | |
| 322 | C | A | -1.2778 | |
| 323 | G | A | -1.0540 | |
| 324 | S | A | -1.0201 | |
| 325 | L | A | 0.0000 | |
| 326 | G | A | -1.1460 | |
| 327 | N | A | -1.6984 | |
| 328 | I | A | -1.0300 | |
| 329 | H | A | -1.6904 | |
| 330 | H | A | -1.3416 | |
| 331 | K | A | -2.0367 | |
| 332 | P | A | -1.5745 | |
| 333 | G | A | -0.9906 | |
| 334 | G | A | -1.1385 | |
| 335 | G | A | -0.8955 | |
| 336 | Q | A | -1.1136 | |
| 337 | V | A | -0.8281 | |
| 338 | E | A | -2.2777 | |
| 339 | V | A | 0.0000 | |
| 340 | K | A | -3.5932 | |
| 341 | S | A | -3.4058 | |
| 342 | E | A | -3.5417 | |
| 343 | K | A | -3.5341 | |
| 344 | L | A | -2.8204 | |
| 345 | D | A | -3.0285 | |
| 346 | F | A | 0.0000 | |
| 347 | K | A | -2.7613 | |
| 348 | D | A | -3.2359 | |
| 349 | R | A | -3.5465 | |
| 350 | V | A | -2.7523 | |
| 351 | Q | A | -2.4151 | |
| 352 | S | A | -2.1112 | |
| 353 | K | A | -2.1095 | |
| 354 | I | A | 0.0000 | |
| 355 | G | A | 0.0000 | |
| 356 | S | A | -0.9813 | |
| 357 | L | A | 0.0000 | |
| 358 | D | A | -0.9670 | |
| 359 | N | A | -0.1849 | |
| 360 | I | A | 1.1163 | |
| 361 | T | A | 0.0000 | |
| 362 | H | A | -0.5362 | |
| 363 | V | A | 0.0000 | |
| 364 | P | A | -0.6174 | |
| 365 | G | A | -1.0256 | |
| 366 | G | A | -1.1301 | |
| 367 | G | A | -1.2325 | |
| 368 | N | A | -1.7602 | |
| 369 | K | A | -1.6212 | |
| 370 | K | A | -0.0054 | |
| 371 | I | A | 2.0231 | |
| 372 | E | A | 0.0000 | |
| 373 | T | A | 0.3211 | |
| 374 | H | A | 0.0000 | |
| 375 | K | A | -1.3778 | |
| 376 | L | A | 0.0000 | |
| 377 | T | A | 1.2130 | |
| 378 | F | A | 2.9096 | |
| 306 | V | B | 1.7296 | |
| 307 | Q | B | 0.3469 | |
| 308 | I | B | 0.9952 | |
| 309 | V | B | 0.9092 | |
| 310 | Y | B | 0.5504 | |
| 311 | K | B | -0.6260 | |
| 312 | P | B | 0.1404 | |
| 313 | V | B | 1.6252 | |
| 314 | D | B | 1.0146 | |
| 315 | L | B | 1.4264 | |
| 316 | S | B | -0.3575 | |
| 317 | K | B | -1.7280 | |
| 318 | V | B | -1.0774 | |
| 319 | T | B | -1.1222 | |
| 320 | S | B | -1.3605 | |
| 321 | K | B | -2.2256 | |
| 322 | C | B | -1.2227 | |
| 323 | G | B | -0.8102 | |
| 324 | S | B | -0.5824 | |
| 325 | L | B | -0.1483 | |
| 326 | G | B | -0.7619 | |
| 327 | N | B | -1.2403 | |
| 328 | I | B | -0.6308 | |
| 329 | H | B | -1.5836 | |
| 330 | H | B | -1.8183 | |
| 331 | K | B | -2.0152 | |
| 332 | P | B | -1.4667 | |
| 333 | G | B | 0.0000 | |
| 334 | G | B | -0.6839 | |
| 335 | G | B | -0.6391 | |
| 336 | Q | B | -1.1000 | |
| 337 | V | B | -0.7098 | |
| 338 | E | B | -1.9391 | |
| 339 | V | B | -1.6985 | |
| 340 | K | B | -2.5754 | |
| 341 | S | B | 0.0000 | |
| 342 | E | B | -3.5009 | |
| 343 | K | B | -3.2954 | |
| 344 | L | B | -2.1348 | |
| 345 | D | B | -2.6740 | |
| 346 | F | B | -2.6359 | |
| 347 | K | B | -4.2526 | |
| 348 | D | B | -4.7474 | |
| 349 | R | B | -4.7360 | |
| 350 | V | B | 0.0000 | |
| 351 | Q | B | -2.3717 | |
| 352 | S | B | -1.7087 | |
| 353 | K | B | -2.1348 | |
| 354 | I | B | 0.0000 | |
| 355 | G | B | 0.0000 | |
| 356 | S | B | -0.9949 | |
| 357 | L | B | -0.8036 | |
| 358 | D | B | -1.6089 | |
| 359 | N | B | 0.0000 | |
| 360 | I | B | -0.9151 | |
| 361 | T | B | 0.0000 | |
| 362 | H | B | -0.7304 | |
| 363 | V | B | 0.0000 | |
| 364 | P | B | -0.5546 | |
| 365 | G | B | -0.9585 | |
| 366 | G | B | 0.0000 | |
| 367 | G | B | -1.2905 | |
| 368 | N | B | -1.5959 | |
| 369 | K | B | -1.9281 | |
| 370 | K | B | -0.5692 | |
| 371 | I | B | 1.2993 | |
| 372 | E | B | 0.2859 | |
| 373 | T | B | -0.2933 | |
| 374 | H | B | -1.1985 | |
| 375 | K | B | -1.6990 | |
| 376 | L | B | 0.0000 | |
| 377 | T | B | -0.0076 | |
| 378 | F | B | 1.3048 | |
| 306 | V | C | 2.6945 | |
| 307 | Q | C | 0.7643 | |
| 308 | I | C | 0.0000 | |
| 309 | V | C | 0.6484 | |
| 310 | Y | C | -0.0117 | |
| 311 | K | C | -1.3711 | |
| 312 | P | C | 0.0000 | |
| 313 | V | C | 1.3772 | |
| 314 | D | C | 0.0000 | |
| 315 | L | C | 1.1712 | |
| 316 | S | C | 0.0000 | |
| 317 | K | C | -1.3596 | |
| 318 | V | C | 0.0000 | |
| 319 | T | C | -1.2754 | |
| 320 | S | C | 0.0000 | |
| 321 | K | C | -1.9909 | |
| 322 | C | C | 0.0000 | |
| 323 | G | C | -1.0700 | |
| 324 | S | C | -0.8144 | |
| 325 | L | C | 0.0000 | |
| 326 | G | C | -1.5092 | |
| 327 | N | C | -1.9200 | |
| 328 | I | C | 0.0000 | |
| 329 | H | C | -1.4167 | |
| 330 | H | C | 0.0000 | |
| 331 | K | C | 0.0000 | |
| 332 | P | C | 0.0000 | |
| 333 | G | C | 0.0000 | |
| 334 | G | C | 0.0000 | |
| 335 | G | C | 0.0000 | |
| 336 | Q | C | -1.0265 | |
| 337 | V | C | 0.0000 | |
| 338 | E | C | -1.8239 | |
| 339 | V | C | 0.0000 | |
| 340 | K | C | -2.8218 | |
| 341 | S | C | 0.0000 | |
| 342 | E | C | -3.0847 | |
| 343 | K | C | -2.8052 | |
| 344 | L | C | 0.0000 | |
| 345 | D | C | -2.8339 | |
| 346 | F | C | 0.0000 | |
| 347 | K | C | -3.9461 | |
| 348 | D | C | -3.9143 | |
| 349 | R | C | -3.8663 | |
| 350 | V | C | 0.0000 | |
| 351 | Q | C | -2.2425 | |
| 352 | S | C | 0.0000 | |
| 353 | K | C | 0.0000 | |
| 354 | I | C | 0.0000 | |
| 355 | G | C | 0.0000 | |
| 356 | S | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | D | C | 0.0000 | |
| 359 | N | C | 0.0000 | |
| 360 | I | C | 0.0000 | |
| 361 | T | C | 0.0000 | |
| 362 | H | C | -0.5098 | |
| 363 | V | C | 0.0000 | |
| 364 | P | C | 0.0000 | |
| 365 | G | C | 0.0000 | |
| 366 | G | C | 0.0000 | |
| 367 | G | C | -0.9253 | |
| 368 | N | C | 0.0000 | |
| 369 | K | C | -1.3676 | |
| 370 | K | C | -0.1862 | |
| 371 | I | C | 1.0395 | |
| 372 | E | C | 0.0000 | |
| 373 | T | C | -0.0645 | |
| 374 | H | C | 0.0000 | |
| 375 | K | C | -1.5882 | |
| 376 | L | C | 0.0000 | |
| 377 | T | C | 1.0571 | |
| 378 | F | C | 3.1454 | |
| 306 | V | D | 1.8415 | |
| 307 | Q | D | 0.6845 | |
| 308 | I | D | 0.8452 | |
| 309 | V | D | 0.0000 | |
| 310 | Y | D | -0.2457 | |
| 311 | K | D | -0.7579 | |
| 312 | P | D | 0.0000 | |
| 313 | V | D | 0.5745 | |
| 314 | D | D | 0.0000 | |
| 315 | L | D | 0.9534 | |
| 316 | S | D | 0.0000 | |
| 317 | K | D | -1.9064 | |
| 318 | V | D | 0.0000 | |
| 319 | T | D | -1.6974 | |
| 320 | S | D | 0.0000 | |
| 321 | K | D | -2.2046 | |
| 322 | C | D | -1.2046 | |
| 323 | G | D | -0.8243 | |
| 324 | S | D | 0.0000 | |
| 325 | L | D | 0.7463 | |
| 326 | G | D | -0.3219 | |
| 327 | N | D | -1.0700 | |
| 328 | I | D | 0.0000 | |
| 329 | H | D | -1.2100 | |
| 330 | H | D | 0.0000 | |
| 331 | K | D | -1.1095 | |
| 332 | P | D | 0.0000 | |
| 333 | G | D | 0.0000 | |
| 334 | G | D | 0.0000 | |
| 335 | G | D | 0.0000 | |
| 336 | Q | D | 0.0000 | |
| 337 | V | D | 0.0000 | |
| 338 | E | D | -1.3084 | |
| 339 | V | D | 0.0000 | |
| 340 | K | D | -2.0335 | |
| 341 | S | D | 0.0000 | |
| 342 | E | D | -2.6548 | |
| 343 | K | D | -2.7778 | |
| 344 | L | D | 0.0000 | |
| 345 | D | D | -1.9353 | |
| 346 | F | D | 0.0000 | |
| 347 | K | D | -4.5745 | |
| 348 | D | D | -4.7711 | |
| 349 | R | D | -5.2793 | |
| 350 | V | D | 0.0000 | |
| 351 | Q | D | -2.5200 | |
| 352 | S | D | 0.0000 | |
| 353 | K | D | -1.4968 | |
| 354 | I | D | 0.0000 | |
| 355 | G | D | 0.0000 | |
| 356 | S | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | D | D | -0.9155 | |
| 359 | N | D | 0.0000 | |
| 360 | I | D | -0.4089 | |
| 361 | T | D | 0.0000 | |
| 362 | H | D | -0.4072 | |
| 363 | V | D | 0.0000 | |
| 364 | P | D | 0.0000 | |
| 365 | G | D | 0.0000 | |
| 366 | G | D | 0.0000 | |
| 367 | G | D | -1.0637 | |
| 368 | N | D | 0.0000 | |
| 369 | K | D | -1.3290 | |
| 370 | K | D | 0.0000 | |
| 371 | I | D | 0.6118 | |
| 372 | E | D | 0.0000 | |
| 373 | T | D | -0.0734 | |
| 374 | H | D | 0.0000 | |
| 375 | K | D | -1.2092 | |
| 376 | L | D | 0.0000 | |
| 377 | T | D | 0.6714 | |
| 378 | F | D | 2.4847 | |
| 306 | V | E | 2.1417 | |
| 307 | Q | E | 0.2999 | |
| 308 | I | E | 0.0000 | |
| 309 | V | E | 0.2806 | |
| 310 | Y | E | 0.0000 | |
| 311 | K | E | -0.9928 | |
| 312 | P | E | 0.0000 | |
| 313 | V | E | 1.1790 | |
| 314 | D | E | 0.0000 | |
| 315 | L | E | 1.1526 | |
| 316 | S | E | -0.4089 | |
| 317 | K | E | -2.1539 | |
| 318 | V | E | 0.0000 | |
| 319 | T | E | -1.1589 | |
| 320 | S | E | 0.0000 | |
| 321 | K | E | -1.5666 | |
| 322 | C | E | 0.0000 | |
| 323 | G | E | -0.7608 | |
| 324 | S | E | -0.6568 | |
| 325 | L | E | 0.0000 | |
| 326 | G | E | -1.3944 | |
| 327 | N | E | -2.0434 | |
| 328 | I | E | 0.0000 | |
| 329 | H | E | -1.1646 | |
| 330 | H | E | 0.0000 | |
| 331 | K | E | -0.6776 | |
| 332 | P | E | 0.0000 | |
| 333 | G | E | 0.0000 | |
| 334 | G | E | 0.0000 | |
| 335 | G | E | 0.0000 | |
| 336 | Q | E | 0.0000 | |
| 337 | V | E | 0.0000 | |
| 338 | E | E | -1.4072 | |
| 339 | V | E | 0.0000 | |
| 340 | K | E | -2.2658 | |
| 341 | S | E | 0.0000 | |
| 342 | E | E | -2.7840 | |
| 343 | K | E | -2.7914 | |
| 344 | L | E | 0.0000 | |
| 345 | D | E | -2.1068 | |
| 346 | F | E | 0.0000 | |
| 347 | K | E | -3.5239 | |
| 348 | D | E | -3.8270 | |
| 349 | R | E | -4.6475 | |
| 350 | V | E | 0.0000 | |
| 351 | Q | E | -1.8881 | |
| 352 | S | E | 0.0000 | |
| 353 | K | E | -1.0684 | |
| 354 | I | E | 0.0000 | |
| 355 | G | E | 0.0000 | |
| 356 | S | E | 0.0000 | |
| 357 | L | E | 0.0000 | |
| 358 | D | E | -0.4840 | |
| 359 | N | E | 0.0000 | |
| 360 | I | E | 0.0406 | |
| 361 | T | E | 0.0000 | |
| 362 | H | E | -0.6639 | |
| 363 | V | E | 0.0000 | |
| 364 | P | E | 0.0000 | |
| 365 | G | E | 0.0000 | |
| 366 | G | E | 0.0000 | |
| 367 | G | E | -0.7502 | |
| 368 | N | E | 0.0000 | |
| 369 | K | E | -1.1442 | |
| 370 | K | E | 0.0000 | |
| 371 | I | E | 0.6908 | |
| 372 | E | E | 0.0000 | |
| 373 | T | E | -0.4694 | |
| 374 | H | E | 0.0000 | |
| 375 | K | E | -2.3763 | |
| 376 | L | E | 0.0000 | |
| 377 | T | E | 0.0884 | |
| 378 | F | E | 1.9075 | |
| 306 | V | F | 1.8323 | |
| 307 | Q | F | 0.2131 | |
| 308 | I | F | 0.0000 | |
| 309 | V | F | 0.0525 | |
| 310 | Y | F | 0.0000 | |
| 311 | K | F | -1.8215 | |
| 312 | P | F | 0.0000 | |
| 313 | V | F | 0.1914 | |
| 314 | D | F | 0.0000 | |
| 315 | L | F | 0.8693 | |
| 316 | S | F | 0.0000 | |
| 317 | K | F | -2.4537 | |
| 318 | V | F | 0.0000 | |
| 319 | T | F | -1.4409 | |
| 320 | S | F | 0.0000 | |
| 321 | K | F | -1.8520 | |
| 322 | C | F | -0.8067 | |
| 323 | G | F | -0.4286 | |
| 324 | S | F | -0.2045 | |
| 325 | L | F | -0.2398 | |
| 326 | G | F | -1.1112 | |
| 327 | N | F | -1.8025 | |
| 328 | I | F | 0.0000 | |
| 329 | H | F | 0.0000 | |
| 330 | H | F | 0.0000 | |
| 331 | K | F | -0.8451 | |
| 332 | P | F | 0.0000 | |
| 333 | G | F | 0.0000 | |
| 334 | G | F | 0.0000 | |
| 335 | G | F | 0.0000 | |
| 336 | Q | F | 0.0000 | |
| 337 | V | F | 0.0000 | |
| 338 | E | F | -0.9161 | |
| 339 | V | F | 0.0000 | |
| 340 | K | F | -1.4896 | |
| 341 | S | F | 0.0000 | |
| 342 | E | F | -2.0485 | |
| 343 | K | F | -2.4700 | |
| 344 | L | F | 0.0000 | |
| 345 | D | F | -1.2852 | |
| 346 | F | F | 0.0000 | |
| 347 | K | F | 0.0000 | |
| 348 | D | F | -4.0741 | |
| 349 | R | F | -4.2376 | |
| 350 | V | F | 0.0000 | |
| 351 | Q | F | -1.8535 | |
| 352 | S | F | 0.0000 | |
| 353 | K | F | -1.1964 | |
| 354 | I | F | 0.0000 | |
| 355 | G | F | 0.0000 | |
| 356 | S | F | 0.0000 | |
| 357 | L | F | 0.0000 | |
| 358 | D | F | -0.9060 | |
| 359 | N | F | 0.0000 | |
| 360 | I | F | 0.0000 | |
| 361 | T | F | 0.0000 | |
| 362 | H | F | -0.6005 | |
| 363 | V | F | 0.0000 | |
| 364 | P | F | -0.2973 | |
| 365 | G | F | 0.0000 | |
| 366 | G | F | 0.0000 | |
| 367 | G | F | -0.4997 | |
| 368 | N | F | 0.0000 | |
| 369 | K | F | -0.9550 | |
| 370 | K | F | 0.0000 | |
| 371 | I | F | 0.7462 | |
| 372 | E | F | 0.0000 | |
| 373 | T | F | -0.2098 | |
| 374 | H | F | 0.0000 | |
| 375 | K | F | -0.8963 | |
| 376 | L | F | 0.0000 | |
| 377 | T | F | 1.4258 | |
| 378 | F | F | 3.5128 | |
| 306 | V | G | 1.8644 | |
| 307 | Q | G | -0.1781 | |
| 308 | I | G | 0.0000 | |
| 309 | V | G | 0.6323 | |
| 310 | Y | G | 0.0000 | |
| 311 | K | G | -0.4364 | |
| 312 | P | G | 0.0000 | |
| 313 | V | G | 1.7763 | |
| 314 | D | G | 0.0000 | |
| 315 | L | G | 1.5805 | |
| 316 | S | G | 0.0000 | |
| 317 | K | G | -1.9223 | |
| 318 | V | G | 0.0000 | |
| 319 | T | G | -1.2639 | |
| 320 | S | G | 0.0000 | |
| 321 | K | G | -1.8932 | |
| 322 | C | G | 0.0000 | |
| 323 | G | G | -0.9646 | |
| 324 | S | G | -0.8769 | |
| 325 | L | G | 0.0000 | |
| 326 | G | G | -1.3609 | |
| 327 | N | G | -1.6808 | |
| 328 | I | G | 0.0000 | |
| 329 | H | G | -1.3848 | |
| 330 | H | G | 0.0000 | |
| 331 | K | G | -1.3332 | |
| 332 | P | G | 0.0000 | |
| 333 | G | G | 0.0000 | |
| 334 | G | G | 0.0000 | |
| 335 | G | G | 0.0000 | |
| 336 | Q | G | 0.0000 | |
| 337 | V | G | 0.0000 | |
| 338 | E | G | -1.0855 | |
| 339 | V | G | 0.0000 | |
| 340 | K | G | -1.9584 | |
| 341 | S | G | 0.0000 | |
| 342 | E | G | -2.7592 | |
| 343 | K | G | -2.9797 | |
| 344 | L | G | 0.0000 | |
| 345 | D | G | -2.1446 | |
| 346 | F | G | 0.0000 | |
| 347 | K | G | 0.0000 | |
| 348 | D | G | -4.2746 | |
| 349 | R | G | -4.6610 | |
| 350 | V | G | 0.0000 | |
| 351 | Q | G | -2.0532 | |
| 352 | S | G | 0.0000 | |
| 353 | K | G | -1.0183 | |
| 354 | I | G | 0.0000 | |
| 355 | G | G | 0.0000 | |
| 356 | S | G | 0.0000 | |
| 357 | L | G | 0.0000 | |
| 358 | D | G | -0.4481 | |
| 359 | N | G | 0.0000 | |
| 360 | I | G | 0.0000 | |
| 361 | T | G | 0.0000 | |
| 362 | H | G | -0.2458 | |
| 363 | V | G | 0.0000 | |
| 364 | P | G | -0.2049 | |
| 365 | G | G | 0.0000 | |
| 366 | G | G | 0.0000 | |
| 367 | G | G | 0.0000 | |
| 368 | N | G | 0.0000 | |
| 369 | K | G | -1.6871 | |
| 370 | K | G | 0.0000 | |
| 371 | I | G | -0.2530 | |
| 372 | E | G | 0.0000 | |
| 373 | T | G | -1.0296 | |
| 374 | H | G | 0.0000 | |
| 375 | K | G | -3.0615 | |
| 376 | L | G | 0.0000 | |
| 377 | T | G | 0.0619 | |
| 378 | F | G | 2.1672 | |
| 306 | V | H | 1.7840 | |
| 307 | Q | H | 0.3517 | |
| 308 | I | H | 0.0000 | |
| 309 | V | H | 1.0734 | |
| 310 | Y | H | 0.0000 | |
| 311 | K | H | -1.5815 | |
| 312 | P | H | 0.0000 | |
| 313 | V | H | 0.6516 | |
| 314 | D | H | 0.0000 | |
| 315 | L | H | 1.1581 | |
| 316 | S | H | 0.0000 | |
| 317 | K | H | -2.1016 | |
| 318 | V | H | 0.0000 | |
| 319 | T | H | -1.4329 | |
| 320 | S | H | 0.0000 | |
| 321 | K | H | 0.0000 | |
| 322 | C | H | -0.6626 | |
| 323 | G | H | -0.6394 | |
| 324 | S | H | -0.3325 | |
| 325 | L | H | 0.0000 | |
| 326 | G | H | -0.8453 | |
| 327 | N | H | -1.4897 | |
| 328 | I | H | 0.0000 | |
| 329 | H | H | 0.0000 | |
| 330 | H | H | 0.0000 | |
| 331 | K | H | -1.6299 | |
| 332 | P | H | 0.0000 | |
| 333 | G | H | 0.0000 | |
| 334 | G | H | 0.0000 | |
| 335 | G | H | 0.0000 | |
| 336 | Q | H | 0.0000 | |
| 337 | V | H | 0.0000 | |
| 338 | E | H | -1.0737 | |
| 339 | V | H | 0.0000 | |
| 340 | K | H | -2.0317 | |
| 341 | S | H | 0.0000 | |
| 342 | E | H | -3.1782 | |
| 343 | K | H | -3.1023 | |
| 344 | L | H | 0.0000 | |
| 345 | D | H | -1.1401 | |
| 346 | F | H | 0.0000 | |
| 347 | K | H | -2.7615 | |
| 348 | D | H | -3.4568 | |
| 349 | R | H | -3.5456 | |
| 350 | V | H | 0.0000 | |
| 351 | Q | H | -2.0655 | |
| 352 | S | H | 0.0000 | |
| 353 | K | H | -1.2645 | |
| 354 | I | H | 0.0000 | |
| 355 | G | H | 0.0000 | |
| 356 | S | H | 0.0000 | |
| 357 | L | H | 0.0000 | |
| 358 | D | H | -0.4979 | |
| 359 | N | H | 0.0000 | |
| 360 | I | H | 0.0000 | |
| 361 | T | H | 0.0000 | |
| 362 | H | H | -0.4886 | |
| 363 | V | H | 0.0000 | |
| 364 | P | H | -0.7772 | |
| 365 | G | H | 0.0000 | |
| 366 | G | H | 0.0000 | |
| 367 | G | H | -0.9062 | |
| 368 | N | H | 0.0000 | |
| 369 | K | H | -1.3538 | |
| 370 | K | H | 0.0000 | |
| 371 | I | H | 0.3770 | |
| 372 | E | H | 0.0000 | |
| 373 | T | H | -0.2765 | |
| 374 | H | H | 0.0000 | |
| 375 | K | H | -1.3921 | |
| 376 | L | H | 0.0000 | |
| 377 | T | H | 1.8071 | |
| 378 | F | H | 3.8433 | |
| 306 | V | I | 2.1708 | |
| 307 | Q | I | 0.2652 | |
| 308 | I | I | 0.0000 | |
| 309 | V | I | 1.3182 | |
| 310 | Y | I | 0.0000 | |
| 311 | K | I | -1.4924 | |
| 312 | P | I | 0.0000 | |
| 313 | V | I | 1.1711 | |
| 314 | D | I | 0.0000 | |
| 315 | L | I | 1.5520 | |
| 316 | S | I | 0.0000 | |
| 317 | K | I | -1.9433 | |
| 318 | V | I | -1.7559 | |
| 319 | T | I | -1.3426 | |
| 320 | S | I | -1.6365 | |
| 321 | K | I | -2.0049 | |
| 322 | C | I | -1.3433 | |
| 323 | G | I | -1.1058 | |
| 324 | S | I | -1.1445 | |
| 325 | L | I | 0.0000 | |
| 326 | G | I | -1.2690 | |
| 327 | N | I | -1.6228 | |
| 328 | I | I | -0.9314 | |
| 329 | H | I | -1.5243 | |
| 330 | H | I | -1.5186 | |
| 331 | K | I | -2.3214 | |
| 332 | P | I | -1.4053 | |
| 333 | G | I | 0.0000 | |
| 334 | G | I | -0.6975 | |
| 335 | G | I | 0.0000 | |
| 336 | Q | I | -0.5888 | |
| 337 | V | I | 0.1014 | |
| 338 | E | I | -0.7734 | |
| 339 | V | I | -0.8147 | |
| 340 | K | I | -2.0003 | |
| 341 | S | I | -1.9320 | |
| 342 | E | I | -3.2774 | |
| 343 | K | I | -3.4139 | |
| 344 | L | I | 0.0000 | |
| 345 | D | I | -2.7255 | |
| 346 | F | I | -1.8933 | |
| 347 | K | I | -3.0824 | |
| 348 | D | I | -3.8887 | |
| 349 | R | I | -3.9483 | |
| 350 | V | I | -2.2212 | |
| 351 | Q | I | -1.8656 | |
| 352 | S | I | -0.9571 | |
| 353 | K | I | -0.8372 | |
| 354 | I | I | 0.0690 | |
| 355 | G | I | 0.0470 | |
| 356 | S | I | 0.1991 | |
| 357 | L | I | 0.9510 | |
| 358 | D | I | -0.1644 | |
| 359 | N | I | -0.9263 | |
| 360 | I | I | 0.0097 | |
| 361 | T | I | -0.1011 | |
| 362 | H | I | -0.0242 | |
| 363 | V | I | 0.8607 | |
| 364 | P | I | 0.1256 | |
| 365 | G | I | -0.6563 | |
| 366 | G | I | -1.0962 | |
| 367 | G | I | 0.0000 | |
| 368 | N | I | -2.7211 | |
| 369 | K | I | -2.9510 | |
| 370 | K | I | -2.6135 | |
| 371 | I | I | -1.0052 | |
| 372 | E | I | -0.7915 | |
| 373 | T | I | -1.2843 | |
| 374 | H | I | -1.9935 | |
| 375 | K | I | -2.4982 | |
| 376 | L | I | -0.6585 | |
| 377 | T | I | 0.5811 | |
| 378 | F | I | 1.5073 | |
| 306 | V | J | 2.1616 | |
| 307 | Q | J | 0.2338 | |
| 308 | I | J | 1.6354 | |
| 309 | V | J | 1.9820 | |
| 310 | Y | J | 0.4346 | |
| 311 | K | J | -1.2872 | |
| 312 | P | J | 0.0000 | |
| 313 | V | J | 1.3554 | |
| 314 | D | J | 0.0000 | |
| 315 | L | J | 1.8751 | |
| 316 | S | J | 0.0666 | |
| 317 | K | J | -1.9401 | |
| 318 | V | J | -1.8230 | |
| 319 | T | J | -1.3101 | |
| 320 | S | J | -1.3122 | |
| 321 | K | J | -1.8656 | |
| 322 | C | J | -1.1177 | |
| 323 | G | J | -0.7925 | |
| 324 | S | J | -0.6732 | |
| 325 | L | J | -0.3240 | |
| 326 | G | J | -0.3002 | |
| 327 | N | J | 0.0809 | |
| 328 | I | J | 1.2405 | |
| 329 | H | J | -0.4290 | |
| 330 | H | J | -1.6320 | |
| 331 | K | J | -2.5032 | |
| 332 | P | J | -1.5797 | |
| 333 | G | J | -1.0083 | |
| 334 | G | J | -0.8524 | |
| 335 | G | J | -0.8560 | |
| 336 | Q | J | -0.9726 | |
| 337 | V | J | -0.3749 | |
| 338 | E | J | -1.1787 | |
| 339 | V | J | -0.9776 | |
| 340 | K | J | -2.5465 | |
| 341 | S | J | -2.3184 | |
| 342 | E | J | -3.4368 | |
| 343 | K | J | -2.6794 | |
| 344 | L | J | -0.9911 | |
| 345 | D | J | -1.1493 | |
| 346 | F | J | -0.1715 | |
| 347 | K | J | -1.8750 | |
| 348 | D | J | -3.2585 | |
| 349 | R | J | -3.5827 | |
| 350 | V | J | -1.8471 | |
| 351 | Q | J | -1.8051 | |
| 352 | S | J | -0.8654 | |
| 353 | K | J | -0.7150 | |
| 354 | I | J | 0.2057 | |
| 355 | G | J | -0.1709 | |
| 356 | S | J | 0.3665 | |
| 357 | L | J | 0.9324 | |
| 358 | D | J | -0.2175 | |
| 359 | N | J | -0.7115 | |
| 360 | I | J | 0.2523 | |
| 361 | T | J | 0.0401 | |
| 362 | H | J | -0.4600 | |
| 363 | V | J | 0.0889 | |
| 364 | P | J | -0.3251 | |
| 365 | G | J | -0.8602 | |
| 366 | G | J | -1.1477 | |
| 367 | G | J | -1.0195 | |
| 368 | N | J | -1.5510 | |
| 369 | K | J | -1.7921 | |
| 370 | K | J | -0.9678 | |
| 371 | I | J | 0.8351 | |
| 372 | E | J | 0.1559 | |
| 373 | T | J | -0.5291 | |
| 374 | H | J | -1.0020 | |
| 375 | K | J | 0.0000 | |
| 376 | L | J | 0.6113 | |
| 377 | T | J | 1.2570 | |
| 378 | F | J | 3.0204 |
3Dmol can be expensive computationally for big molecules. If you experience lag or delay click on the "Play the video" button instead.
CABS-flex predictions of flexibility of input structure
In dynamic mode, A4D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.6096 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_3 | -0.6096 | View | CSV | PDB |
| model_7 | -0.6138 | View | CSV | PDB |
| model_4 | -0.6162 | View | CSV | PDB |
| model_6 | -0.6208 | View | CSV | PDB |
| model_1 | -0.6213 | View | CSV | PDB |
| model_11 | -0.6216 | View | CSV | PDB |
| model_0 | -0.6254 | View | CSV | PDB |
| CABS_average | -0.6267 | View | CSV | PDB |
| model_5 | -0.6304 | View | CSV | PDB |
| model_10 | -0.6328 | View | CSV | PDB |
| model_2 | -0.6391 | View | CSV | PDB |
| model_8 | -0.6444 | View | CSV | PDB |
| model_9 | -0.6449 | View | CSV | PDB |
| input | -0.7257 | 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