Project name: fe443f7186f581e [mutate: LP307A]

Status: done

Started: 2026-07-14 09:39:06
Settings
Chain sequence(s) A: RAKVAMSHFEPNEYIHYDLLEKNINIVRKRLNRPLTLSEKIVYGHLDDPASQEIERGKSYLRLRPDRVAMQDATAQMAMLQFISSGLSKVAVPSTIHCDHLIEAQVGGEKDLRRAKDINQEVYNFLATAGAKYGVGFWKPGSGIIHQIILENYAYPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWSSPKDVILKVAGILTVKGGTGAIVEYHGPGVDSISCTGMATICNMGAEIGATTSVFPYNHRMKKYLSKTGREDIANLADEFKDHLVPDPGCHYDQLIEINLSELKPHINGPFTPDLAHPVAEVGKVAEKEGWPLDIRVGLIGSCTNSSYEDMGRSAAVAKQALAHGLKCKSQFTITPGSEQIRATIERDGYAQILRDLGGIVLANACGPCIGQWDRKDIKKGEKNTIVTSYNRNFTGRNDANPETHAFVTSPEIVTALAIAGTLKFNPETDYLTGTDGKKFRLEAPDADELPKGEFDPGQDTYQHPPKDSSGQHVDVSPTSQRLQLLEPFDKWDGKDLEDLQILIKVKGKCTTDHISAAGPWLKFRGHLDNISNNLLIGAINIENGKANSVRNAVTQEFGPVPDTARYYKKHGIRWVVIGDENYGEGSSREHAALEPRHLGGRAIITKSFARIHETNLKKQGLLPLTFADPADYNKIHPVDKLTIQGLKDFTPGKPLKCIIKHPNGTQETILLNHTFNETQIEWFRAGSALNRMKELQQ
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues LP307A
Energy difference between WT (input) and mutated protein (by FoldX) 4.1408 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]                                                (00:00:01)
[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 A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:02:59)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:03:20)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:53)
Show buried residues

Minimal score value
-3.6026
Maximal score value
1.215
Average score
-0.5859
Total score value
-440.6092

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
29 R A -2.5783
30 A A -2.2241
31 K A -2.6115
32 V A 0.0000
33 A A -1.2813
34 M A 0.0000
35 S A 0.0000
36 H A -0.9271
37 F A -0.4578
38 E A 0.0000
39 P A -1.2776
40 N A -1.7644
41 E A -1.5342
42 Y A -1.3693
43 I A 0.0000
44 H A -1.5715
45 Y A 0.0000
46 D A -1.6405
47 L A -0.5364
48 L A 0.0000
49 E A -1.1812
50 K A -1.1294
51 N A 0.0000
52 I A 0.0000
53 N A -1.2684
54 I A -0.9446
55 V A 0.0000
56 R A -1.7461
57 K A -2.4782
58 R A -1.8140
59 L A -1.2310
60 N A -2.1817
61 R A -1.5844
62 P A -0.9240
63 L A 0.0000
64 T A 0.0000
65 L A 0.0000
66 S A 0.0000
67 E A 0.0000
68 K A 0.0000
69 I A 0.0000
70 V A 0.0000
71 Y A 0.0000
72 G A 0.0000
73 H A 0.0000
74 L A 0.0000
75 D A -1.5321
76 D A -1.5560
77 P A 0.0000
78 A A -0.7758
79 S A -0.8963
80 Q A 0.0000
81 E A -2.5317
82 I A -1.7463
83 E A -2.7430
84 R A -2.2483
85 G A -1.8951
86 K A -2.7933
87 S A 0.0000
88 Y A 0.0000
89 L A 0.0000
90 R A -1.3481
91 L A 0.0000
92 R A -1.5430
93 P A 0.0000
94 D A -0.7319
95 R A 0.0000
96 V A 0.0000
97 A A 0.0000
98 M A 0.0000
99 Q A 0.0000
100 D A 0.0000
101 A A 0.0000
102 T A 0.0000
103 A A 0.0000
104 Q A 0.0000
105 M A 0.0000
106 A A 0.0000
107 M A 0.0000
108 L A 0.0000
109 Q A 0.0000
110 F A 0.0000
111 I A 0.4404
112 S A 0.1243
113 S A 0.0000
114 G A -0.4471
115 L A -0.1163
116 S A -0.5453
117 K A -1.1107
118 V A 0.0000
119 A A 0.0013
120 V A -0.1829
121 P A -0.1834
122 S A 0.0000
123 T A 0.0000
124 I A 0.0000
125 H A 0.0000
126 C A 0.0000
127 D A 0.0000
128 H A 0.0000
129 L A 0.0000
130 I A 0.0000
131 E A -0.3650
132 A A 0.0000
133 Q A -0.6219
134 V A 0.1749
135 G A 0.0000
136 G A 0.0000
137 E A -2.7695
138 K A -2.7274
139 D A 0.0000
140 L A -2.1422
141 R A -3.3895
142 R A -2.4181
143 A A 0.0000
144 K A -2.3064
145 D A -2.5898
146 I A -0.7757
147 N A 0.0000
148 Q A -2.3774
149 E A -2.2151
150 V A 0.0000
151 Y A 0.0000
152 N A -2.0749
153 F A 0.0000
154 L A 0.0000
155 A A -0.6847
156 T A -0.9706
157 A A 0.0000
158 G A 0.0000
159 A A -1.2479
160 K A -1.3454
161 Y A 0.0000
162 G A 0.0000
163 V A 0.0000
164 G A 0.0000
165 F A 0.0000
166 W A 0.0000
167 K A -0.8280
168 P A 0.0000
169 G A 0.0000
170 S A 0.0000
171 G A 0.0000
172 I A 0.0000
173 I A 0.0000
174 H A 0.0000
175 Q A 0.0000
176 I A 0.0000
177 I A 0.0000
178 L A 0.0000
179 E A 0.0000
180 N A -0.3059
181 Y A 0.0000
182 A A 0.0000
183 Y A 0.0000
184 P A 0.0000
185 G A 0.0000
186 V A 0.0000
187 L A 0.0000
188 L A 0.0000
189 I A 0.0000
190 G A 0.0000
191 T A 0.0000
192 D A 0.0000
193 S A 0.0000
194 H A 0.0000
195 T A 0.0000
196 P A 0.0000
197 N A 0.0000
198 G A 0.0000
199 G A 0.0000
200 G A 0.0000
201 L A 0.0000
202 G A 0.0000
203 G A 0.0000
204 I A 0.0000
205 C A 0.0000
206 I A 0.0000
207 G A 0.0000
208 V A 0.0000
209 G A 0.0000
210 G A 0.0000
211 A A 0.0000
212 D A 0.0000
213 A A 0.0000
214 V A 0.0000
215 D A 0.0000
216 V A 0.0000
217 M A 0.0000
218 A A 0.1071
219 G A 0.0707
220 I A 0.4259
221 P A -0.3278
222 W A 0.0000
223 E A 0.0000
224 L A 0.0000
225 K A -1.2915
226 C A 0.0000
227 P A 0.0000
228 K A -1.7520
229 V A 0.0000
230 I A 0.0000
231 G A 0.0000
232 V A 0.0000
233 K A -1.2380
234 L A 0.0000
235 T A -1.2938
236 G A -0.9511
237 S A -0.7515
238 L A -0.4379
239 S A -0.8085
240 G A -1.0583
241 W A 0.0000
242 S A 0.0000
243 S A 0.0000
244 P A 0.0000
245 K A 0.0000
246 D A 0.0000
247 V A 0.0000
248 I A 0.0000
249 L A 0.0000
250 K A -0.4517
251 V A 0.0000
252 A A 0.0000
253 G A 0.2057
254 I A 0.9551
255 L A 0.2490
256 T A 0.1490
257 V A -0.1033
258 K A -0.7732
259 G A -0.3929
260 G A 0.0000
261 T A -0.4365
262 G A -0.6062
263 A A 0.0000
264 I A 0.0000
265 V A 0.0000
266 E A 0.0000
267 Y A 0.0000
268 H A -0.8021
269 G A -1.0047
270 P A -0.8936
271 G A 0.0000
272 V A 0.0000
273 D A -1.5761
274 S A -0.7271
275 I A 0.0000
276 S A 0.0000
277 C A 0.0000
278 T A 0.0000
279 G A 0.0000
280 M A 0.0000
281 A A 0.0000
282 T A 0.0000
283 I A 0.0000
284 C A 0.0000
285 N A 0.0000
286 M A 0.0000
287 G A 0.0000
288 A A 0.0000
289 E A 0.0000
290 I A 0.0000
291 G A 0.0000
292 A A 0.0000
293 T A 0.0000
294 T A 0.0000
295 S A 0.0000
296 V A 0.0000
297 F A 0.0000
298 P A -0.2388
299 Y A 0.0000
300 N A -1.2756
301 H A -1.9022
302 R A -1.5474
303 M A 0.0000
304 K A -1.8356
305 K A -1.7847
306 Y A 0.0000
307 P A 0.0000 mutated: LP307A
308 S A -1.7696
309 K A -1.8291
310 T A -1.2048
311 G A -1.4996
312 R A 0.0000
313 E A -1.9476
314 D A -2.2346
315 I A 0.0000
316 A A 0.0000
317 N A -2.5579
318 L A 0.0000
319 A A 0.0000
320 D A -2.5716
321 E A -2.6662
322 F A 0.0000
323 K A -1.8307
324 D A -1.5391
325 H A 0.0000
326 L A 0.0000
327 V A -0.0677
328 P A -0.3811
329 D A -0.6687
330 P A -0.6495
331 G A -0.8673
332 C A -0.7602
333 H A -1.1840
334 Y A -0.8329
335 D A -1.5309
336 Q A -0.9426
337 L A 0.1245
338 I A 0.0000
339 E A -1.8861
340 I A 0.0000
341 N A -1.6389
342 L A 0.0000
343 S A -1.4452
344 E A -2.3534
345 L A 0.0000
346 K A -1.6463
347 P A 0.0000
348 H A -0.6067
349 I A 0.0000
350 N A 0.0000
351 G A 0.0000
352 P A 0.0000
353 F A 0.6431
354 T A 0.5411
355 P A 0.0000
356 D A 0.3015
357 L A 0.9976
358 A A 0.2954
359 H A 0.0000
360 P A -0.7222
361 V A 0.0000
362 A A -1.2950
363 E A -1.8492
364 V A 0.0000
365 G A 0.0000
366 K A -3.2854
367 V A -2.1675
368 A A 0.0000
369 E A -3.6026
370 K A -3.4222
371 E A -2.6175
372 G A -1.9829
373 W A -1.5977
374 P A -1.1559
375 L A -1.2340
376 D A -1.5530
377 I A 0.0000
378 R A -1.4613
379 V A 0.0000
380 G A 0.0000
381 L A 0.0000
382 I A 0.0000
383 G A 0.0000
384 S A 0.0000
385 C A 0.0000
386 T A 0.0000
387 N A 0.0000
388 S A 0.0000
389 S A 0.0000
390 Y A 0.0000
391 E A -0.6169
392 D A 0.0000
393 M A 0.0000
394 G A 0.0000
395 R A -0.8082
396 S A 0.0000
397 A A 0.0000
398 A A -0.8828
399 V A 0.0000
400 A A 0.0000
401 K A -1.0425
402 Q A 0.0000
403 A A 0.0000
404 L A -0.5541
405 A A -0.3926
406 H A -1.3225
407 G A -1.1198
408 L A -1.3602
409 K A -2.3386
410 C A -1.8813
411 K A -2.4137
412 S A 0.0000
413 Q A -1.4323
414 F A 0.0000
415 T A 0.0000
416 I A 0.0000
417 T A 0.0000
418 P A 0.0000
419 G A 0.0000
420 S A 0.0000
421 E A 0.0000
422 Q A -1.0964
423 I A 0.0000
424 R A -0.9648
425 A A -1.3523
426 T A 0.0000
427 I A 0.0000
428 E A -1.7052
429 R A -1.8638
430 D A -1.4838
431 G A -0.9435
432 Y A -0.7636
433 A A 0.0000
434 Q A -1.2130
435 I A -0.6545
436 L A 0.0000
437 R A -1.2164
438 D A -1.7786
439 L A 0.0000
440 G A -1.5847
441 G A -0.8524
442 I A 0.0927
443 V A 0.0290
444 L A 0.0000
445 A A 0.0000
446 N A 0.0000
447 A A 0.0000
448 C A 0.0000
449 G A 0.0000
450 P A 0.0000
451 C A 0.0000
452 I A 0.0000
453 G A 0.0000
454 Q A 0.0000
455 W A -0.6231
456 D A -1.3455
457 R A 0.0000
458 K A -2.9574
459 D A -2.4622
460 I A 0.0000
461 K A -3.3810
462 K A -3.4801
463 G A -2.3084
464 E A -2.3207
465 K A -2.4046
466 N A 0.0000
467 T A 0.0000
468 I A 0.0000
469 V A 0.0000
470 T A 0.0000
471 S A 0.0000
472 Y A 0.0000
473 N A 0.0000
474 R A 0.0000
475 N A 0.0000
476 F A 0.0000
477 T A -0.1428
478 G A -0.3087
479 R A 0.0000
480 N A 0.0000
481 D A -0.7366
482 A A -0.5487
483 N A 0.0000
484 P A -1.1157
485 E A -1.6048
486 T A 0.0000
487 H A 0.0000
488 A A 0.0000
489 F A 0.0000
490 V A 0.0000
491 T A 0.0000
492 S A 0.0000
493 P A 0.0000
494 E A 0.0000
495 I A 0.0000
496 V A 0.0000
497 T A 0.0000
498 A A 0.0000
499 L A 0.0000
500 A A 0.0000
501 I A 0.0000
502 A A -0.7851
503 G A 0.0000
504 T A -1.1313
505 L A 0.0000
506 K A -2.3787
507 F A 0.0000
508 N A 0.0000
509 P A 0.0000
510 E A -0.8748
511 T A -0.4420
512 D A -0.6879
513 Y A 0.1037
514 L A -0.3386
515 T A -1.3419
516 G A -1.8901
517 T A -1.7904
518 D A -2.8097
519 G A -2.4809
520 K A -3.0147
521 K A -2.5431
522 F A -1.2863
523 R A -1.2558
524 L A 0.0000
525 E A -1.9049
526 A A -1.2670
527 P A 0.0000
528 D A -2.2215
529 A A -1.3131
530 D A -1.4438
531 E A 0.0000
532 L A 0.0000
533 P A 0.0000
534 K A -2.5031
535 G A -2.3000
536 E A -2.7083
537 F A -1.8147
538 D A -1.8517
539 P A -1.5985
540 G A -1.6948
541 Q A -2.0700
542 D A -2.4900
543 T A -1.4401
544 Y A -1.1193
545 Q A -1.5920
546 H A -1.4618
547 P A -1.3586
548 P A -1.7507
549 K A -2.4373
550 D A -2.5693
551 S A -1.7258
552 S A -1.7839
553 G A -1.4903
554 Q A -1.5838
555 H A -1.7658
556 V A -1.3810
557 D A -2.0217
558 V A -0.5768
559 S A -0.5668
560 P A -0.4485
561 T A -0.4934
562 S A 0.0000
563 Q A -1.5068
564 R A 0.0000
565 L A 0.0000
566 Q A -0.0381
567 L A 1.0880
568 L A 0.2364
569 E A -1.0860
570 P A -1.1395
571 F A 0.0000
572 D A -2.8118
573 K A -2.5832
574 W A -1.8186
575 D A -1.8535
576 G A -1.5940
577 K A -2.4624
578 D A -2.4404
579 L A 0.0000
580 E A -2.8917
581 D A -2.4608
582 L A 0.0000
583 Q A 0.0000
584 I A 0.0000
585 L A 0.0000
586 I A 0.0000
587 K A 0.0000
588 V A 0.0000
589 K A -1.5253
590 G A -1.2034
591 K A -1.1306
592 C A 0.0000
593 T A 0.0000
594 T A 0.0000
595 D A -0.2945
596 H A -0.2271
597 I A 0.0000
598 S A 0.0000
599 A A 0.0000
600 A A -0.1229
601 G A 0.0000
602 P A -0.4132
603 W A -0.0976
604 L A 0.0000
605 K A -0.5868
606 F A -0.4551
607 R A 0.0000
608 G A 0.0000
609 H A 0.0000
610 L A 0.0000
611 D A -0.8520
612 N A -0.8631
613 I A 0.0000
614 S A 0.0000
615 N A -0.9738
616 N A 0.0000
617 L A 0.0000
618 L A 0.0000
619 I A 0.0215
620 G A -0.1800
621 A A 0.0000
622 I A -0.3044
623 N A 0.0000
624 I A -0.1833
625 E A -0.5845
626 N A -0.5943
627 G A -1.0690
628 K A -1.6455
629 A A -0.7123
630 N A -0.6785
631 S A -0.8276
632 V A 0.0000
633 R A -0.4819
634 N A -0.3106
635 A A 0.5309
636 V A 1.2150
637 T A -0.0905
638 Q A -0.9060
639 E A -1.6797
640 F A -0.5874
641 G A -0.8308
642 P A -0.8577
643 V A 0.0000
644 P A 0.0000
645 D A -2.1474
646 T A 0.0000
647 A A 0.0000
648 R A -1.8563
649 Y A -1.3065
650 Y A 0.0000
651 K A -2.2274
652 K A -2.5673
653 H A -1.9613
654 G A -1.6158
655 I A -0.9957
656 R A -1.0914
657 W A 0.0000
658 V A 0.0000
659 V A 0.0000
660 I A 0.0000
661 G A 0.0000
662 D A 0.0000
663 E A -1.4488
664 N A 0.0000
665 Y A 0.0000
666 G A 0.0000
667 E A 0.0000
668 G A -0.0813
669 S A 0.0000
670 S A 0.0000
671 R A 0.0000
672 E A 0.0000
673 H A 0.0000
674 A A 0.0000
675 A A 0.0000
676 L A 0.0000
677 E A 0.0000
678 P A 0.0000
679 R A 0.0000
680 H A -0.7783
681 L A 0.0000
682 G A -1.0462
683 G A 0.0000
684 R A 0.0000
685 A A 0.0000
686 I A 0.0000
687 I A 0.0000
688 T A 0.0000
689 K A -0.9366
690 S A -0.6413
691 F A -0.2846
692 A A 0.0000
693 R A 0.0000
694 I A 0.0000
695 H A 0.0000
696 E A -0.1842
697 T A -0.1580
698 N A 0.0000
699 L A 0.0000
700 K A 0.0000
701 K A 0.0000
702 Q A 0.0000
703 G A 0.0000
704 L A 0.0000
705 L A 0.0000
706 P A 0.0000
707 L A 0.0000
708 T A -0.5371
709 F A 0.0000
710 A A -0.9367
711 D A -1.9718
712 P A -1.4706
713 A A -1.3003
714 D A 0.0000
715 Y A 0.0000
716 N A -1.9874
717 K A -1.6579
718 I A 0.0000
719 H A -0.7559
720 P A 0.0000
721 V A 0.5055
722 D A 0.0000
723 K A -1.3973
724 L A 0.0000
725 T A 0.0000
726 I A 0.0000
727 Q A -1.6384
728 G A -1.8176
729 L A 0.0000
730 K A -3.1108
731 D A -2.8920
732 F A 0.0000
733 T A -1.3058
734 P A -0.8539
735 G A -1.0434
736 K A -1.1266
737 P A -0.7455
738 L A 0.0000
739 K A -0.7650
740 C A 0.0000
741 I A -1.0730
742 I A 0.0000
743 K A -1.6838
744 H A -1.5898
745 P A -1.2933
746 N A -1.9120
747 G A -1.6893
748 T A -1.5321
749 Q A -1.9262
750 E A -1.1982
751 T A -0.5484
752 I A 0.0000
753 L A -0.2253
754 L A 0.0000
755 N A -0.7771
756 H A -0.6839
757 T A -0.8204
758 F A 0.0000
759 N A -0.8750
760 E A -1.1897
761 T A -0.7214
762 Q A 0.0000
763 I A 0.0000
764 E A -1.0329
765 W A 0.0000
766 F A 0.0000
767 R A -1.6431
768 A A 0.0000
769 G A 0.0000
770 S A 0.0000
771 A A 0.0000
772 L A -0.2499
773 N A -1.2078
774 R A -0.8484
775 M A 0.0000
776 K A -1.4835
777 E A -1.3555
778 L A 0.1383
779 Q A -0.9020
780 Q A -1.4780
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018