Project name: Receptor COVID mono

Status: done

Started: 2020-04-05 15:59:10
Settings
Chain sequence(s) E: CPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELL
input PDB
Selected Chain(s) E
Distance of aggregation 10 Å
FoldX usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:06)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:06)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with E chain(s) selected             (00:00:06)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:06)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:06)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:07)
[INFO]       Movie:    Creting movie with webm format                                              (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:10)
Show buried residues

Minimal score value
-2.83
Maximal score value
2.2032
Average score
-0.2953
Total score value
-54.0396

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
336 C E 0.2623
337 P E -0.9153
338 F E 0.0000
339 G E -1.1247
340 E E -2.2222
341 V E -1.2524
342 F E 0.0000
343 N E -2.0493
344 A E -1.3071
345 T E -0.9328
346 R E -1.8233
347 F E 0.0000
348 A E 0.0000
349 S E -0.0830
350 V E 0.0000
351 Y E 0.7814
352 A E 0.1511
353 W E 0.0000
354 N E -1.5942
355 R E -2.0036
356 K E -2.3939
357 R E -2.8300
358 I E 0.0000
359 S E -0.7836
360 N E -0.6846
361 C E 0.7050
362 V E 1.6289
363 A E 0.4741
364 D E -0.5209
365 Y E 0.0000
366 S E 0.0742
367 V E 1.4537
368 L E 1.0324
369 Y E 1.1221
370 N E -0.2437
371 S E -0.0542
372 A E -0.0941
373 S E -0.1368
374 F E 0.2822
375 S E -0.2091
376 T E -0.3281
377 F E -0.1301
378 K E -1.4625
379 C E -0.0286
380 Y E 0.1880
381 G E 0.2847
382 V E 1.3558
383 S E -0.0945
384 P E -0.5107
385 T E -0.9363
386 K E -2.2131
387 L E -1.5468
388 N E -2.3153
389 D E -1.7239
390 L E 1.2305
391 C E 1.2853
392 F E 2.2032
393 T E 0.8344
394 N E -0.9094
395 V E 0.0000
396 Y E -1.3661
397 A E 0.0000
398 D E 0.0000
399 S E 0.0000
400 F E 0.0000
401 V E 0.0000
402 I E 0.0000
403 R E -0.3327
404 G E -0.4622
405 D E -1.2852
406 E E 0.0000
407 V E -0.9919
408 R E -2.1809
409 Q E -1.6647
410 I E 0.0000
411 A E -1.1991
412 P E -1.3626
413 G E -1.4040
414 Q E -1.4625
415 T E -1.1258
416 G E -1.2219
417 K E -1.0122
418 I E 0.0000
419 A E 0.0000
420 D E -1.3192
421 Y E -1.0809
422 N E 0.0000
423 Y E 0.0000
424 K E -1.3598
425 L E 0.0000
426 P E -1.5326
427 D E -2.4679
428 D E -1.8099
429 F E 0.6713
430 T E 0.0000
431 G E 0.0000
432 C E 0.0000
433 V E 0.0000
434 I E 0.0000
435 A E 0.0000
436 W E -0.0001
437 N E -0.6244
438 S E 0.0000
439 N E -0.8086
440 N E -0.9856
441 L E 0.3472
442 D E 0.0000
443 S E -0.7990
444 K E -1.0898
445 V E 0.4264
446 G E -0.1972
447 G E -0.4286
448 N E -0.4176
449 Y E 0.2078
450 N E -0.5898
451 Y E 0.0000
452 L E 0.3031
453 Y E 0.3774
454 R E 0.0000
455 L E 0.5106
456 F E 0.3808
457 R E -1.2867
458 K E -2.0834
459 S E -1.9036
460 N E -2.2623
461 L E 0.0000
462 K E -2.3190
463 P E -1.4763
464 F E -0.3940
465 E E -1.2462
466 R E -1.1227
467 D E -0.0503
468 I E 1.4675
469 S E 0.1381
470 T E -0.1626
471 E E -1.4152
472 I E 0.2968
473 Y E -0.0250
474 Q E -0.6926
475 A E -0.5195
476 G E -0.8660
477 S E -0.6909
478 T E -0.5549
479 P E -0.6439
480 C E -0.3453
481 N E -1.2850
482 G E -0.0210
483 V E 1.7031
484 E E 0.9935
485 G E 0.8158
486 F E 1.7009
487 N E 0.2366
488 C E 0.0000
489 Y E 1.9096
490 F E 1.7008
491 P E 0.0000
492 L E 0.5612
493 Q E -0.0848
494 S E -0.0827
495 Y E 0.1036
496 G E -0.2813
497 F E 0.0000
498 Q E -0.7901
499 P E -0.6644
500 T E -0.0650
501 N E -0.1768
502 G E 0.4357
503 V E 1.3454
504 G E 0.4823
505 Y E 0.8856
506 Q E 0.1057
507 P E 0.0000
508 Y E -0.1006
509 R E 0.0000
510 V E 0.0000
511 V E 0.0000
512 V E 0.0000
513 L E 0.0000
514 S E 0.0000
515 F E 0.0000
516 E E -0.0400
517 L E 2.1147
518 L E 2.0826
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Laboratory of Theory of Biopolymers 2018