Chain sequence(s) |
A: MSDSNQGNNQQNYQQYSQNGNQQQGNNRYQGYQAYNAQAQPAGGYYQNYQGYSGYQQGGYQQYNPDAGYQQQYNPQGGYQQYNPQGGYQQQFNPQGGRGNYKNFNYNNNLQGYQAGFQPQSQGMSLNDFQKQQKQAAPKPKKTLKLVSSSGIKLANATKKVGTKPAESDKKEEEKSAETKEPTKEPTKVEEPVKKEEKPVQTEEKTEEKSELPKVEDLKISESTHNTNNANVTSADALIKEQEEEVDDEVVNDMFGGKDHVSLIFMGHVDAGKSTMGGNLLYLTGSVDKRTIEKYEREAKDAGRQGWYLSWVMDTNKEERNDGKTIEVGKAYFETEKRRYTILDAPGHKMYVSEMIGGASQADVGVLVISARKGEYETGFERGGQTREHALLAKTQGVNKMVVVVNKMDDPTVNWSKERYDQCVSNVSNFLRAIGYNIKTDVVFMPVSGYSGANLKDHVDPKECPWYTGPTLLEYLDTMNHVDRHINAPFMLPIAAKMKDLGTIVEGKIESGHIKKGQSTLLMPNKTAVEIQNIYNETENEVDMAMCGEQVKLRIKGVEEEDISPGFVLTSPKNPIKSVTKFVAQIAIVELKSIIAAGFSCVMHVHTAIEEVHIVKLLHKLEKGTNRKSKKPPAFAKKGMKVIAVLETEAPVCVETYQDYPQLGRFTLRDQGTTIAIGKIVKIAE
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
pH calculations | No |
alphaCutter usage |
A: MSDSNQGNNQQNYQQYSQNGNQQQGNNRYQGYQAYNAQAQPAGGYYQNYQGYSGYQQGGYQQYNPDAGYQQQYNPQGGYQQYNPQGGYQQQFNPQGGRGNYKNFNYNNNLQGYQAGFQPQSQGMSLNDFQKQQKQAAPKPKKTLKLVSSSGIKLANATKKVGTKPAESDKKEEEKSAETKEPTKEPTKVEEPVKKEEKPVQTEEKTEEKSELPKVEDLKISESTHNTN NANVTSADALIKEQEEEVDDEVVNDMFGGKDHVSLIFMGHVDAGKSTMGGNLLYLTGSVDKRTIEKYEREAKDAGRQGWYLSWVMDTNKEERNDGKTIEVGKAYFETEKRRYTILDAPGHKMYVSEMIGGASQADVGVLVISARKGEYETGFERGGQTREHALLAKTQGVNKMVVVVNKMDDPTVNWSKERYDQCVSNVSNFLRAIGYNIKTDVVFMPVSGYSGANLKDHVDPKECPWYTGPTLLEYLDTMNHVDRHINAPFMLPIAAKMKDLGTIVEGKIESGHIKKGQSTLLMPNKTAVEIQNIYNETENEVDMAMCGEQVKLRIKGVEEEDISPGFVLTSPKNPIKSVTKFVAQIAIVELKSIIAAGFSCVMHVHTAIEEVHIVKLLHKLEKGTNRKSKKPPAFAKKGMKVIAVLETEAPVCVETYQDYPQLGRFTLRDQGTTIAIGKIVKIAE(Red indicates removed residues) |
Dynamic mode | No |
Automated mutations | No |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:00) [INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] PDB: Running AlphaCutter (00:00:01) [INFO] FoldX: Starting FoldX energy minimalization (00:00:10) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:31) [INFO] Movie: Creting movie with webm format (00:04:31) [CRITICAL] ffmpeg: OSError while launching ffmpeg. Perhaps it's not installed? (00:04:31) [INFO] Main: Simulation completed successfully. (00:04:34) |
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 |
---|---|---|---|---|
229 | N | A | -1.2604 | |
230 | A | A | -0.7104 | |
231 | N | A | -0.7894 | |
232 | V | A | 0.5257 | |
233 | T | A | -0.3371 | |
234 | S | A | -0.5546 | |
235 | A | A | -0.8963 | |
236 | D | A | -1.8489 | |
237 | A | A | -1.5346 | |
238 | L | A | -2.0374 | |
239 | I | A | -2.1868 | |
240 | K | A | -3.7244 | |
241 | E | A | -4.0590 | |
242 | Q | A | -3.6137 | |
243 | E | A | -4.4949 | |
244 | E | A | -4.6789 | |
245 | E | A | -4.2482 | |
246 | V | A | -3.1994 | |
247 | D | A | -3.9734 | |
248 | D | A | -3.9030 | |
249 | E | A | -3.4661 | |
250 | V | A | -1.8882 | |
251 | V | A | -1.7626 | |
252 | N | A | -2.9249 | |
253 | D | A | -2.5951 | |
254 | M | A | -1.0002 | |
255 | F | A | -0.6651 | |
256 | G | A | -1.4923 | |
257 | G | A | -2.0782 | |
258 | K | A | -1.9077 | |
259 | D | A | -1.1460 | |
260 | H | A | 0.0000 | |
261 | V | A | 0.0000 | |
262 | S | A | 0.0000 | |
263 | L | A | 0.0000 | |
264 | I | A | 0.0000 | |
265 | F | A | 0.0000 | |
266 | M | A | 0.0000 | |
267 | G | A | 0.0000 | |
268 | H | A | -0.8971 | |
269 | V | A | -0.9938 | |
270 | D | A | -1.9410 | |
271 | A | A | 0.0000 | |
272 | G | A | -0.4723 | |
273 | K | A | 0.0000 | |
274 | S | A | -0.2224 | |
275 | T | A | 0.0000 | |
276 | M | A | 0.0000 | |
277 | G | A | 0.0000 | |
278 | G | A | 0.0000 | |
279 | N | A | 0.0000 | |
280 | L | A | 0.0000 | |
281 | L | A | 0.0000 | |
282 | Y | A | -0.0813 | |
283 | L | A | -0.0005 | |
284 | T | A | -0.3330 | |
285 | G | A | -0.8843 | |
286 | S | A | -0.7003 | |
287 | V | A | -0.9741 | |
288 | D | A | -2.7627 | |
289 | K | A | -3.5917 | |
290 | R | A | -3.8476 | |
291 | T | A | -2.7799 | |
292 | I | A | 0.0000 | |
293 | E | A | -4.0574 | |
294 | K | A | -4.1233 | |
295 | Y | A | -3.2045 | |
296 | E | A | -4.0276 | |
297 | R | A | -5.0322 | |
298 | E | A | -4.6268 | |
299 | A | A | 0.0000 | |
300 | K | A | -4.7637 | |
301 | D | A | -4.1662 | |
302 | A | A | -2.9996 | |
303 | G | A | -2.6795 | |
304 | R | A | -3.1004 | |
305 | Q | A | -3.2808 | |
306 | G | A | -1.2415 | |
307 | W | A | -0.7985 | |
308 | Y | A | -1.4532 | |
309 | L | A | 0.0000 | |
310 | S | A | 0.1221 | |
311 | W | A | 0.0000 | |
312 | V | A | 0.3153 | |
313 | M | A | 0.0000 | |
314 | D | A | 0.0000 | |
315 | T | A | -1.2953 | |
316 | N | A | -2.4180 | |
317 | K | A | -3.5497 | |
318 | E | A | -3.8919 | |
319 | E | A | 0.0000 | |
320 | R | A | -2.8899 | |
321 | N | A | -3.6562 | |
322 | D | A | -3.4275 | |
323 | G | A | -2.4109 | |
324 | K | A | -2.1453 | |
325 | T | A | 0.0000 | |
326 | I | A | -1.0870 | |
327 | E | A | -1.8706 | |
328 | V | A | -0.9102 | |
329 | G | A | -0.8093 | |
330 | K | A | -1.0424 | |
331 | A | A | -0.3206 | |
332 | Y | A | -0.3025 | |
333 | F | A | 0.0000 | |
334 | E | A | -1.9018 | |
335 | T | A | -2.1124 | |
336 | E | A | -2.8078 | |
337 | K | A | -2.7665 | |
338 | R | A | 0.0000 | |
339 | R | A | -1.3640 | |
340 | Y | A | 0.0000 | |
341 | T | A | 0.0000 | |
342 | I | A | 0.0000 | |
343 | L | A | 0.0000 | |
344 | D | A | 0.0000 | |
345 | A | A | 0.0000 | |
346 | P | A | 0.0000 | |
347 | G | A | 0.0000 | |
348 | H | A | -0.6867 | |
349 | K | A | -1.0176 | |
350 | M | A | 0.1522 | |
351 | Y | A | -0.2474 | |
352 | V | A | 0.0000 | |
353 | S | A | -0.3617 | |
354 | E | A | -1.0325 | |
355 | M | A | 0.0000 | |
356 | I | A | 0.0000 | |
357 | G | A | -0.3366 | |
358 | G | A | 0.0000 | |
359 | A | A | 0.0000 | |
360 | S | A | 0.0000 | |
361 | Q | A | 0.0000 | |
362 | A | A | 0.0000 | |
363 | D | A | -0.4178 | |
364 | V | A | 0.0000 | |
365 | G | A | 0.0000 | |
366 | V | A | 0.0000 | |
367 | L | A | 0.0000 | |
368 | V | A | 0.0000 | |
369 | I | A | 0.0000 | |
370 | S | A | 0.0000 | |
371 | A | A | 0.0000 | |
372 | R | A | -2.3514 | |
373 | K | A | -2.5883 | |
374 | G | A | -1.9047 | |
375 | E | A | -1.9060 | |
376 | Y | A | 0.0000 | |
377 | E | A | -2.3050 | |
378 | T | A | -2.0505 | |
379 | G | A | 0.0000 | |
380 | F | A | -1.9393 | |
381 | E | A | -3.1767 | |
382 | R | A | -3.0270 | |
383 | G | A | -2.1550 | |
384 | G | A | 0.0000 | |
385 | Q | A | 0.0000 | |
386 | T | A | 0.0000 | |
387 | R | A | -1.5010 | |
388 | E | A | -1.0849 | |
389 | H | A | 0.0000 | |
390 | A | A | 0.0000 | |
391 | L | A | -0.0162 | |
392 | L | A | 0.0000 | |
393 | A | A | 0.0000 | |
394 | K | A | -0.6132 | |
395 | T | A | 0.0000 | |
396 | Q | A | 0.0000 | |
397 | G | A | -0.7699 | |
398 | V | A | 0.0000 | |
399 | N | A | -1.6822 | |
400 | K | A | -1.1493 | |
401 | M | A | 0.0000 | |
402 | V | A | 0.0000 | |
403 | V | A | 0.0000 | |
404 | V | A | 0.0000 | |
405 | V | A | 0.0000 | |
406 | N | A | 0.0000 | |
407 | K | A | 0.0000 | |
408 | M | A | 0.0000 | |
409 | D | A | -1.4798 | |
410 | D | A | 0.0000 | |
411 | P | A | -0.9656 | |
412 | T | A | -1.1877 | |
413 | V | A | 0.0000 | |
414 | N | A | -2.1247 | |
415 | W | A | 0.0000 | |
416 | S | A | -1.8758 | |
417 | K | A | -2.2310 | |
418 | E | A | -2.7482 | |
419 | R | A | 0.0000 | |
420 | Y | A | 0.0000 | |
421 | D | A | -2.2241 | |
422 | Q | A | -2.0318 | |
423 | C | A | 0.0000 | |
424 | V | A | -0.8483 | |
425 | S | A | -1.2199 | |
426 | N | A | -1.3953 | |
427 | V | A | 0.0000 | |
428 | S | A | -1.3961 | |
429 | N | A | -1.8613 | |
430 | F | A | -1.1114 | |
431 | L | A | 0.0000 | |
432 | R | A | -2.0192 | |
433 | A | A | -0.9162 | |
434 | I | A | -0.4585 | |
435 | G | A | -0.8418 | |
436 | Y | A | 0.0000 | |
437 | N | A | -1.7410 | |
438 | I | A | -1.3218 | |
439 | K | A | -1.7391 | |
440 | T | A | -1.1983 | |
441 | D | A | -1.1685 | |
442 | V | A | 0.0000 | |
443 | V | A | 0.2662 | |
444 | F | A | 0.4425 | |
445 | M | A | 0.0000 | |
446 | P | A | 0.0000 | |
447 | V | A | 0.0000 | |
448 | S | A | 0.0000 | |
449 | G | A | 0.0000 | |
450 | Y | A | 0.5617 | |
451 | S | A | 0.0523 | |
452 | G | A | 0.0000 | |
453 | A | A | -1.1014 | |
454 | N | A | 0.0000 | |
455 | L | A | 0.0000 | |
456 | K | A | -2.1333 | |
457 | D | A | -2.9164 | |
458 | H | A | -2.3967 | |
459 | V | A | 0.0000 | |
460 | D | A | -2.9204 | |
461 | P | A | -2.3886 | |
462 | K | A | -3.1358 | |
463 | E | A | -3.4271 | |
464 | C | A | 0.0000 | |
465 | P | A | -1.4503 | |
466 | W | A | -0.4611 | |
467 | Y | A | -0.3062 | |
468 | T | A | -0.1826 | |
469 | G | A | -0.2638 | |
470 | P | A | -0.8748 | |
471 | T | A | 0.0000 | |
472 | L | A | 0.0000 | |
473 | L | A | 0.0000 | |
474 | E | A | -1.4880 | |
475 | Y | A | -0.3767 | |
476 | L | A | 0.0000 | |
477 | D | A | -1.3910 | |
478 | T | A | -0.8942 | |
479 | M | A | -0.8445 | |
480 | N | A | -1.7974 | |
481 | H | A | -1.8537 | |
482 | V | A | -1.2472 | |
483 | D | A | -2.2446 | |
484 | R | A | -1.6398 | |
485 | H | A | -1.4240 | |
486 | I | A | -0.8062 | |
487 | N | A | -1.9633 | |
488 | A | A | 0.0000 | |
489 | P | A | -0.5463 | |
490 | F | A | 0.0000 | |
491 | M | A | 0.0000 | |
492 | L | A | 0.0000 | |
493 | P | A | 0.0000 | |
494 | I | A | 0.0000 | |
495 | A | A | -0.1166 | |
496 | A | A | -0.2798 | |
497 | K | A | -1.2982 | |
498 | M | A | -1.4044 | |
499 | K | A | -2.7120 | |
500 | D | A | -1.7543 | |
501 | L | A | 0.2695 | |
502 | G | A | -1.3974 | |
503 | T | A | 0.0000 | |
504 | I | A | 0.0000 | |
505 | V | A | 0.0000 | |
506 | E | A | 0.0000 | |
507 | G | A | 0.0000 | |
508 | K | A | 0.0000 | |
509 | I | A | 0.0000 | |
510 | E | A | 0.0000 | |
511 | S | A | 0.0000 | |
512 | G | A | 0.0000 | |
513 | H | A | 0.0000 | |
514 | I | A | 0.0000 | |
515 | K | A | -1.8636 | |
516 | K | A | -2.6475 | |
517 | G | A | -2.1869 | |
518 | Q | A | -1.7043 | |
519 | S | A | -1.4513 | |
520 | T | A | 0.0000 | |
521 | L | A | 0.0000 | |
522 | L | A | 0.0000 | |
523 | M | A | 0.0000 | |
524 | P | A | -1.3439 | |
525 | N | A | -2.3381 | |
526 | K | A | -2.3594 | |
527 | T | A | -1.4929 | |
528 | A | A | -1.1623 | |
529 | V | A | 0.0000 | |
530 | E | A | -2.4044 | |
531 | I | A | 0.0000 | |
532 | Q | A | -1.8933 | |
533 | N | A | -1.8900 | |
534 | I | A | 0.0000 | |
535 | Y | A | -2.1277 | |
536 | N | A | -1.9031 | |
537 | E | A | -1.5521 | |
538 | T | A | -1.6468 | |
539 | E | A | -2.9843 | |
540 | N | A | -2.8999 | |
541 | E | A | -2.9137 | |
542 | V | A | -2.0365 | |
543 | D | A | -2.5432 | |
544 | M | A | 0.0000 | |
545 | A | A | 0.0000 | |
546 | M | A | 0.0000 | |
547 | C | A | 0.0000 | |
548 | G | A | 0.0000 | |
549 | E | A | 0.0000 | |
550 | Q | A | 0.0000 | |
551 | V | A | 0.0000 | |
552 | K | A | -1.4581 | |
553 | L | A | 0.0000 | |
554 | R | A | -1.3864 | |
555 | I | A | 0.0000 | |
556 | K | A | -2.8247 | |
557 | G | A | -1.9329 | |
558 | V | A | 0.0000 | |
559 | E | A | -3.8210 | |
560 | E | A | -3.3940 | |
561 | E | A | -3.6866 | |
562 | D | A | -3.5438 | |
563 | I | A | 0.0000 | |
564 | S | A | -0.7365 | |
565 | P | A | 0.0816 | |
566 | G | A | 0.3257 | |
567 | F | A | 0.0623 | |
568 | V | A | 0.0000 | |
569 | L | A | 0.0000 | |
570 | T | A | 0.0000 | |
571 | S | A | -1.0094 | |
572 | P | A | -1.4711 | |
573 | K | A | -2.0746 | |
574 | N | A | -1.5763 | |
575 | P | A | -1.3763 | |
576 | I | A | 0.0000 | |
577 | K | A | -1.4073 | |
578 | S | A | -1.3079 | |
579 | V | A | 0.0000 | |
580 | T | A | -1.5114 | |
581 | K | A | -1.9004 | |
582 | F | A | 0.0000 | |
583 | V | A | -0.6786 | |
584 | A | A | 0.0000 | |
585 | Q | A | -0.6247 | |
586 | I | A | 0.0000 | |
587 | A | A | -0.5275 | |
588 | I | A | 0.0000 | |
589 | V | A | -0.5931 | |
590 | E | A | -1.7615 | |
591 | L | A | -1.6476 | |
592 | K | A | -2.0989 | |
593 | S | A | -0.9802 | |
594 | I | A | 0.3651 | |
595 | I | A | 0.0000 | |
596 | A | A | 0.3786 | |
597 | A | A | -0.2371 | |
598 | G | A | -0.6073 | |
599 | F | A | 0.0415 | |
600 | S | A | -0.3788 | |
601 | C | A | 0.0000 | |
602 | V | A | 0.1038 | |
603 | M | A | 0.0000 | |
604 | H | A | 0.0000 | |
605 | V | A | 0.0000 | |
606 | H | A | 0.0000 | |
607 | T | A | 0.0000 | |
608 | A | A | 0.0000 | |
609 | I | A | 1.3192 | |
610 | E | A | -0.3922 | |
611 | E | A | -1.4948 | |
612 | V | A | 0.0000 | |
613 | H | A | -1.2019 | |
614 | I | A | 0.0000 | |
615 | V | A | -0.6816 | |
616 | K | A | -1.3614 | |
617 | L | A | 0.0000 | |
618 | L | A | -1.1430 | |
619 | H | A | -2.4678 | |
620 | K | A | -2.7650 | |
621 | L | A | 0.0000 | |
622 | E | A | -3.3997 | |
623 | K | A | -3.0538 | |
624 | G | A | -2.0539 | |
625 | T | A | -2.2919 | |
626 | N | A | -3.3146 | |
627 | R | A | -4.1027 | |
628 | K | A | -4.0203 | |
629 | S | A | -3.3059 | |
630 | K | A | -3.3625 | |
631 | K | A | -3.0323 | |
632 | P | A | -1.8706 | |
633 | P | A | -0.7923 | |
634 | A | A | 0.0466 | |
635 | F | A | 0.8719 | |
636 | A | A | 0.0000 | |
637 | K | A | -1.7628 | |
638 | K | A | -2.5382 | |
639 | G | A | -1.5606 | |
640 | M | A | -1.4224 | |
641 | K | A | -1.7681 | |
642 | V | A | 0.0000 | |
643 | I | A | 0.0000 | |
644 | A | A | 0.0000 | |
645 | V | A | 0.0000 | |
646 | L | A | 0.0000 | |
647 | E | A | -2.0986 | |
648 | T | A | 0.0000 | |
649 | E | A | -2.6012 | |
650 | A | A | -1.4670 | |
651 | P | A | -1.2252 | |
652 | V | A | 0.0000 | |
653 | C | A | 0.0000 | |
654 | V | A | 0.0000 | |
655 | E | A | -1.2493 | |
656 | T | A | -1.4192 | |
657 | Y | A | -1.2617 | |
658 | Q | A | -2.1342 | |
659 | D | A | -2.2310 | |
660 | Y | A | -1.0964 | |
661 | P | A | -1.0015 | |
662 | Q | A | -0.8389 | |
663 | L | A | 0.0000 | |
664 | G | A | 0.0000 | |
665 | R | A | -0.4805 | |
666 | F | A | 0.0000 | |
667 | T | A | 0.0000 | |
668 | L | A | 0.0000 | |
669 | R | A | 0.0000 | |
670 | D | A | -0.9574 | |
671 | Q | A | -1.4346 | |
672 | G | A | -1.1019 | |
673 | T | A | -1.2443 | |
674 | T | A | 0.0000 | |
675 | I | A | 0.0000 | |
676 | A | A | 0.0000 | |
677 | I | A | 0.2987 | |
678 | G | A | 0.0000 | |
679 | K | A | -0.9078 | |
680 | I | A | 0.0000 | |
681 | V | A | -0.8914 | |
682 | K | A | -1.7603 | |
683 | I | A | -1.1505 | |
684 | A | A | -1.4496 | |
685 | E | A | -2.2210 |