Project name: 88362f8ea0723f2

Status: done

Started: 2025-03-04 13:57:23
Settings
Chain sequence(s) A: MVGSDNAYDQRFLTMYNKIKDPANGYFSPEGVPYHSVETLIVEAPDHGHETTSEAFSYYLWLEAMYGRVTGDWSPFNNAWDTMEKYIIPSHADQPTNSSYNPSKPATYAPEHPDPSQYPSQLDSSVPVGQDPIANELKSTYGTNDIYGMHWLLDVDNVYGFGNSPGRCEDGDSTTRPAYINTFQRGPQESVWETVPQPSCDTFKYGGPNGYLDLFTGDSSYPAKQWKYTNAPDADARAVQAAYWAHEWAKEQGKASEVAATVAKAAKMGDYLRYSMFDKYFKKIGNCVGASSCPAGTGKDSAHYLLSWYYAWGGATDTSAGWAWRIGSSHSHFGYQNPMAAWALSNVAELKPKSPTGASDWATSLKRQLEFYQWLQSSEGGIAGGATNSWNGSYATPPAGTPTFYGMSYDEQPVYHDPPSNQWFGMQAWSMERVAEYYYATGDARAKAVLDKWVPWAIANTTINADGSFQIPSDLEWSGQPDTWNASSPGANTNLHVTVTNYGQDVGVAGSLAKTLTYYAAKSGNTTAKDTAKGLLDALNNYQDSKGISVPETRADYNRFDDGVYVPPGWTGTMPNGDVIKSGATFLDIRSFYKNDPDWPKVEAYLNGGPAPTFTYHRFWAQVDIATAYARS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:16)
Show buried residues

Minimal score value
-3.1275
Maximal score value
1.8981
Average score
-0.5067
Total score value
-320.2546

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
1 M A 1.8030
2 V A 1.8981
3 G A 0.1960
4 S A -0.7771
5 D A -2.0796
6 N A -1.7803
7 A A -1.0580
8 Y A -0.8217
9 D A 0.0000
10 Q A -1.4466
11 R A -1.2602
12 F A 0.0000
13 L A 0.0000
14 T A -0.9442
15 M A 0.0000
16 Y A 0.0000
17 N A -2.0205
18 K A -1.6641
19 I A 0.0000
20 K A -1.5701
21 D A -1.8493
22 P A -1.0465
23 A A -0.5828
24 N A 0.0000
25 G A -0.4513
26 Y A 0.0000
27 F A -0.1407
28 S A 0.0000
29 P A -0.6169
30 E A -0.6097
31 G A -0.5035
32 V A 0.0000
33 P A 0.0000
34 Y A 0.0000
35 H A 0.0000
36 S A 0.0000
37 V A -0.0224
38 E A -0.4557
39 T A -0.3382
40 L A 0.0000
41 I A 0.0000
42 V A 0.0000
43 E A -0.4991
44 A A -0.1622
45 P A 0.0000
46 D A 0.0000
47 H A 0.0000
48 G A 0.0000
49 H A -0.2456
50 E A 0.0000
51 T A 0.0000
52 T A 0.0000
53 S A 0.0000
54 E A -0.2636
55 A A 0.0000
56 F A 0.0000
57 S A 0.0000
58 Y A 0.0000
59 Y A 0.0000
60 L A 0.0000
61 W A 0.0000
62 L A 0.0000
63 E A 0.0000
64 A A 0.0000
65 M A 0.0000
66 Y A -0.1188
67 G A 0.0000
68 R A -0.9097
69 V A -0.0835
70 T A 0.1248
71 G A -0.6601
72 D A -1.4005
73 W A 0.0000
74 S A -1.2688
75 P A -1.0595
76 F A 0.0000
77 N A -1.7609
78 N A -2.2138
79 A A 0.0000
80 W A 0.0000
81 D A -2.9260
82 T A -2.0191
83 M A 0.0000
84 E A -2.0434
85 K A -2.4052
86 Y A -1.3220
87 I A 0.0000
88 I A 0.0000
89 P A 0.0000
90 S A -1.1403
91 H A -1.2491
92 A A -0.9122
93 D A 0.0000
94 Q A 0.0000
95 P A -0.7456
96 T A 0.0000
97 N A 0.0000
98 S A -0.6933
99 S A -0.3335
100 Y A 0.0000
101 N A -1.6928
102 P A -1.4609
103 S A -1.4394
104 K A -2.1348
105 P A 0.0000
106 A A -0.6055
107 T A -0.4795
108 Y A 0.0000
109 A A -0.4910
110 P A -0.6828
111 E A -1.1671
112 H A -1.2399
113 P A -1.1800
114 D A -1.2271
115 P A 0.0000
116 S A -0.9129
117 Q A -1.3611
118 Y A 0.0000
119 P A -0.9852
120 S A 0.0000
121 Q A -1.4962
122 L A -0.7072
123 D A -0.8573
124 S A -0.5423
125 S A -0.4407
126 V A 0.0000
127 P A -0.4658
128 V A -0.4800
129 G A 0.0000
130 Q A -1.1067
131 D A 0.0000
132 P A -0.8022
133 I A 0.0000
134 A A 0.0000
135 N A -1.9778
136 E A -1.5070
137 L A 0.0000
138 K A -1.9881
139 S A -1.3202
140 T A -1.1985
141 Y A -0.7727
142 G A -0.9011
143 T A -1.0729
144 N A -1.1603
145 D A -0.8451
146 I A 0.0000
147 Y A 0.0000
148 G A 0.0000
149 M A 0.0000
150 H A 0.0000
151 W A 0.1071
152 L A 0.0000
153 L A 0.0000
154 D A 0.0000
155 V A 0.0000
156 D A -0.9618
157 N A 0.0000
158 V A -0.1347
159 Y A 0.0000
160 G A 0.0000
161 F A 0.0000
162 G A 0.0000
163 N A 0.0000
164 S A 0.0000
165 P A -1.2332
166 G A -1.4279
167 R A -1.7353
168 C A -0.9850
169 E A 0.0000
170 D A -1.6762
171 G A -1.3507
172 D A -1.4767
173 S A -1.0987
174 T A -0.7253
175 T A -1.1673
176 R A -1.2602
177 P A 0.0000
178 A A 0.0000
179 Y A 0.0000
180 I A 0.0000
181 N A 0.0000
182 T A 0.0000
183 F A 0.0742
184 Q A -0.3601
185 R A 0.0000
186 G A 0.0000
187 P A -0.8481
188 Q A -1.1694
189 E A 0.0000
190 S A 0.0000
191 V A 0.0000
192 W A 0.0000
193 E A -0.5733
194 T A 0.0000
195 V A 0.0000
196 P A 0.0000
197 Q A 0.0000
198 P A 0.0000
199 S A 0.0000
200 C A 0.0000
201 D A 0.0000
202 T A -0.8281
203 F A -0.6952
204 K A -1.7003
205 Y A -0.9092
206 G A -0.2559
207 G A -0.5544
208 P A -0.4986
209 N A -0.3634
210 G A 0.0000
211 Y A 0.0000
212 L A 0.0000
213 D A -0.5689
214 L A 0.0000
215 F A 0.0000
216 T A -0.7034
217 G A -0.8903
218 D A -0.8818
219 S A -0.4759
220 S A 0.0544
221 Y A 0.6910
222 P A -0.0797
223 A A -0.5198
224 K A -1.3725
225 Q A -0.8531
226 W A 0.0000
227 K A -0.1766
228 Y A 0.0000
229 T A 0.0574
230 N A 0.0000
231 A A 0.1165
232 P A 0.0000
233 D A 0.0000
234 A A 0.0000
235 D A 0.0000
236 A A 0.0000
237 R A 0.0000
238 A A 0.0000
239 V A 0.0000
240 Q A 0.0000
241 A A 0.0000
242 A A 0.0000
243 Y A 0.0000
244 W A 0.0000
245 A A 0.0000
246 H A 0.0000
247 E A -1.7360
248 W A 0.0000
249 A A 0.0000
250 K A -3.1275
251 E A -3.1264
252 Q A -2.3551
253 G A -2.3449
254 K A -2.6196
255 A A -2.1333
256 S A -1.5563
257 E A -2.5295
258 V A 0.0000
259 A A -1.0016
260 A A -0.5708
261 T A 0.0000
262 V A 0.0000
263 A A -0.8511
264 K A -0.7785
265 A A 0.0000
266 A A 0.0000
267 K A -0.9899
268 M A 0.0000
269 G A 0.0000
270 D A 0.0000
271 Y A 0.0000
272 L A 0.0000
273 R A 0.0000
274 Y A 0.0000
275 S A 0.0000
276 M A 0.0000
277 F A 0.0000
278 D A 0.0000
279 K A -0.1612
280 Y A 0.0000
281 F A 0.0000
282 K A 0.0000
283 K A -1.1069
284 I A -0.5772
285 G A 0.0000
286 N A -1.1006
287 C A 0.0000
288 V A 0.2114
289 G A -0.1054
290 A A -0.1131
291 S A -0.3156
292 S A -0.2458
293 C A 0.0000
294 P A -0.4098
295 A A -0.4017
296 G A 0.0000
297 T A -0.8546
298 G A -0.9972
299 K A -1.2394
300 D A -1.5152
301 S A 0.0000
302 A A -0.5530
303 H A 0.0000
304 Y A -0.1942
305 L A 0.0000
306 L A 0.0000
307 S A 0.0000
308 W A 0.2854
309 Y A 0.2823
310 Y A 0.0000
311 A A 0.0000
312 W A 0.0000
313 G A 0.0000
314 G A 0.0000
315 A A 0.0000
316 T A -1.0993
317 D A -1.8152
318 T A -0.9422
319 S A -0.7035
320 A A -0.5137
321 G A -0.5445
322 W A -0.0402
323 A A -0.1909
324 W A -0.1908
325 R A 0.0000
326 I A 0.0000
327 G A 0.0000
328 S A 0.0000
329 S A 0.0000
330 H A -0.1548
331 S A 0.0000
332 H A 0.0000
333 F A 0.0000
334 G A 0.0000
335 Y A 0.0000
336 Q A 0.0000
337 N A 0.0000
338 P A 0.0000
339 M A 0.0000
340 A A 0.0000
341 A A 0.0000
342 W A -0.3795
343 A A 0.0000
344 L A 0.0000
345 S A -0.7732
346 N A -1.4295
347 V A -0.8466
348 A A -0.8703
349 E A -1.3678
350 L A 0.0000
351 K A -1.6785
352 P A 0.0000
353 K A -2.0849
354 S A 0.0000
355 P A -0.7718
356 T A -0.4938
357 G A 0.0000
358 A A -0.8266
359 S A -0.4771
360 D A 0.0000
361 W A 0.0000
362 A A -0.4970
363 T A -0.4071
364 S A 0.0000
365 L A 0.0000
366 K A -1.2346
367 R A -0.7968
368 Q A 0.0000
369 L A 0.0000
370 E A -0.8994
371 F A 0.0000
372 Y A 0.0000
373 Q A -0.6322
374 W A 0.0000
375 L A 0.0000
376 Q A 0.0000
377 S A 0.0000
378 S A -0.9753
379 E A -1.1957
380 G A 0.0000
381 G A 0.0000
382 I A 0.0000
383 A A 0.0000
384 G A 0.0000
385 G A 0.0000
386 A A 0.0000
387 T A 0.0000
388 N A 0.0000
389 S A 0.0000
390 W A -0.4023
391 N A -1.2244
392 G A -0.7807
393 S A -0.4863
394 Y A 0.0000
395 A A -0.1504
396 T A -0.2150
397 P A -0.3904
398 P A -0.3668
399 A A -0.3150
400 G A -0.5892
401 T A -0.5348
402 P A 0.0000
403 T A -0.4146
404 F A 0.0000
405 Y A 0.1786
406 G A -0.2183
407 M A 0.0000
408 S A 0.0000
409 Y A 0.0000
410 D A 0.0000
411 E A -1.4091
412 Q A -0.9087
413 P A 0.0000
414 V A -0.2103
415 Y A -0.2759
416 H A -0.9802
417 D A -1.0797
418 P A -0.8457
419 P A -1.0223
420 S A -0.4804
421 N A 0.0000
422 Q A -1.0847
423 W A -0.3728
424 F A 0.0000
425 G A 0.0000
426 M A 0.0000
427 Q A 0.0000
428 A A 0.0000
429 W A 0.1144
430 S A 0.0000
431 M A 0.0000
432 E A 0.0000
433 R A 0.0000
434 V A 0.0000
435 A A 0.0000
436 E A 0.0000
437 Y A 0.0000
438 Y A 0.0000
439 Y A 0.0684
440 A A 0.0581
441 T A -0.1281
442 G A -0.5743
443 D A -0.6659
444 A A -0.7079
445 R A -1.3111
446 A A 0.0000
447 K A -1.2905
448 A A -1.0364
449 V A 0.0000
450 L A 0.0000
451 D A -1.5233
452 K A -1.3906
453 W A 0.0000
454 V A 0.0000
455 P A -0.6251
456 W A 0.0000
457 A A 0.0000
458 I A 0.1355
459 A A 0.0181
460 N A -0.0898
461 T A 0.0647
462 T A -0.0096
463 I A -0.1770
464 N A -1.1335
465 A A -1.0707
466 D A -2.1010
467 G A -1.5166
468 S A -1.1331
469 F A 0.0000
470 Q A -0.7705
471 I A 0.0000
472 P A 0.0000
473 S A -0.5902
474 D A -1.1066
475 L A 0.0000
476 E A -2.1236
477 W A -1.3875
478 S A -1.3955
479 G A -1.5522
480 Q A -1.7293
481 P A 0.0000
482 D A -1.6653
483 T A -0.8929
484 W A -0.7942
485 N A -1.2573
486 A A -0.6580
487 S A -0.6590
488 S A -0.7725
489 P A -1.0650
490 G A -1.0478
491 A A -0.6438
492 N A 0.0000
493 T A -1.2095
494 N A -1.9370
495 L A 0.0000
496 H A -1.5390
497 V A 0.0000
498 T A -1.0255
499 V A -0.6738
500 T A -1.0032
501 N A -1.2375
502 Y A -0.3645
503 G A -0.7275
504 Q A -0.9177
505 D A -0.9725
506 V A 0.0000
507 G A 0.0000
508 V A 0.0000
509 A A 0.0000
510 G A 0.0000
511 S A 0.0000
512 L A 0.0000
513 A A 0.0000
514 K A 0.0000
515 T A 0.0000
516 L A 0.0000
517 T A 0.0000
518 Y A 0.0000
519 Y A 0.0000
520 A A 0.0000
521 A A -0.6378
522 K A -0.9365
523 S A -0.9615
524 G A -1.0726
525 N A -1.3721
526 T A -1.2102
527 T A -1.2574
528 A A 0.0000
529 K A -2.1762
530 D A -2.6902
531 T A -1.4401
532 A A 0.0000
533 K A -2.2884
534 G A -1.5204
535 L A 0.0000
536 L A 0.0000
537 D A -1.5252
538 A A 0.0000
539 L A 0.0000
540 N A -1.5891
541 N A -2.0154
542 Y A -1.0735
543 Q A -1.4760
544 D A -1.6142
545 S A -1.0157
546 K A -1.1929
547 G A 0.0000
548 I A 0.0000
549 S A 0.0000
550 V A 0.0000
551 P A -0.5720
552 E A -0.7139
553 T A -0.4454
554 R A 0.0000
555 A A -0.7529
556 D A -1.2635
557 Y A 0.0000
558 N A -2.3914
559 R A -2.1221
560 F A 0.0000
561 D A -2.9018
562 D A -2.3658
563 G A -1.6141
564 V A 0.0000
565 Y A -0.5329
566 V A 0.0000
567 P A -0.6899
568 P A -0.7237
569 G A -0.7868
570 W A -0.6694
571 T A -0.4176
572 G A -0.0715
573 T A -0.2049
574 M A 0.0000
575 P A -0.9162
576 N A -1.2059
577 G A -0.7074
578 D A -0.4663
579 V A 0.5882
580 I A 0.0000
581 K A -1.2312
582 S A -0.8846
583 G A -1.1800
584 A A 0.0000
585 T A -1.8854
586 F A 0.0000
587 L A 0.0000
588 D A -1.7679
589 I A 0.0000
590 R A 0.0000
591 S A -1.2408
592 F A -1.0870
593 Y A 0.0000
594 K A -2.6225
595 N A -2.3319
596 D A -1.7500
597 P A -1.5231
598 D A -1.9184
599 W A 0.0000
600 P A -1.7494
601 K A -1.8086
602 V A 0.0000
603 E A -2.1699
604 A A -1.2822
605 Y A -1.2374
606 L A -1.5967
607 N A -1.8199
608 G A -1.3109
609 G A -1.0069
610 P A -0.7602
611 A A -0.6571
612 P A 0.0000
613 T A -0.5358
614 F A 0.0000
615 T A -0.3008
616 Y A 0.0000
617 H A 0.0000
618 R A -0.1770
619 F A 0.0000
620 W A 0.0000
621 A A 0.0000
622 Q A 0.0000
623 V A 0.0000
624 D A 0.0000
625 I A 0.0000
626 A A 0.0000
627 T A 0.0000
628 A A 0.0000
629 Y A 0.0000
630 A A 0.0000
631 R A -0.2792
632 S A -0.5727
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Laboratory of Theory of Biopolymers 2018