Project name: QJY

Status: done

Started: 2025-12-11 08:42:06
Settings
Chain sequence(s) A: ASEEEDKKEDVGTVVGIDLGTTYSCVGVFKNGRVEIIANDQGNRITPSYVAFTPEGERLIGDAAKNQLTSNPENTVFDAKRLIGRTWNDPSVQQDIKFLPFKVVEKKTKPYIQVDIGGGQTKTFAPEEISAMVLTKMKETAEAYLGKKVTHAVVTVPAYFNDAQRQATKDAGTIAGLNVMRIINEPTAAAIAYGLDKREGEKNILVFDLGGGTFDVSLLTIDNGVFEVVATNGDTHLGGEDFDQRVMEHFIKLYKKKTGKDVRKDNRAVQKLRREVEKAKRALSSQHQARIEIESFYEGEDFSETLTRAKFEELNMDLFRSTMKPVQKVLEDSDLKKSDIDEIVLVGGSTRIPKIQQLVKEFFNGKEPSRGINPDEAVAYGAAVQAGVLSGDQDTGDLVLLDVCPLTLGIETVGGVMTKLIPRNTVVPTKKSQIFSTASDNQPTVTIKVYEGERPLTKDNHLLGTFDLTGIPPAPRGVPQIEVTFEIDVNGILRVTAEDKGTGNKNKITITNDQNRLTPEEIERMVNDAEKFAEEDKKLKERIDTRNELESYAYSLKNQIGDKEKLGGKLSSEDKETMEKAVEEKIEWLESHQDADIEDFKAKKKELEEIVQPIISKLYGSAGPPPTGEEDTAEKDELLEHHHHHH
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]                                                (00:00:01)
[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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:25:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:25:24)
Show buried residues

Minimal score value
-5.1202
Maximal score value
1.8142
Average score
-1.2703
Total score value
-820.6301

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 A A -0.8096
2 S A -1.8817
3 E A -3.7010
4 E A -4.4896
5 E A -5.0306
6 D A -5.1202
7 K A -5.0806
8 K A -4.6908
9 E A -4.2835
10 D A -3.4082
11 V A -1.8003
12 G A -1.5739
13 T A -0.9969
14 V A 0.0000
15 V A 0.0000
16 G A 0.0000
17 I A 0.0000
18 D A -0.1601
19 L A 0.0000
20 G A -0.0733
21 T A 0.0000
22 T A 0.0851
23 Y A 0.0476
24 S A 0.0000
25 C A 0.0000
26 V A 0.0000
27 G A 0.0000
28 V A 0.0000
29 F A 0.0000
30 K A -2.8200
31 N A -2.9999
32 G A -3.2021
33 R A -3.1630
34 V A 0.0000
35 E A -2.0293
36 I A 0.0000
37 I A 0.0000
38 A A -1.4909
39 N A -2.0439
40 D A -2.8497
41 Q A -2.6868
42 G A -2.1252
43 N A -1.9907
44 R A -1.9264
45 I A -0.5582
46 T A 0.0000
47 P A 0.0000
48 S A 0.0000
49 Y A 0.0000
50 V A 0.0000
51 A A 0.0000
52 F A 0.0000
53 T A -1.3087
54 P A -1.6644
55 E A -2.4264
56 G A -1.9229
57 E A -1.6909
58 R A 0.0000
59 L A -0.3267
60 I A 0.0000
61 G A 0.0000
62 D A -1.1144
63 A A -0.7272
64 A A 0.0000
65 K A -1.0361
66 N A -1.6171
67 Q A -0.9948
68 L A 0.0000
69 T A -1.4512
70 S A -1.1966
71 N A -1.2526
72 P A 0.0000
73 E A -2.1661
74 N A -1.3823
75 T A 0.0000
76 V A 0.0000
77 F A 0.0000
78 D A 0.0000
79 A A 0.0000
80 K A 0.0000
81 R A 0.0000
82 L A 0.0000
83 I A 0.0000
84 G A -0.4894
85 R A -0.5116
86 T A -1.2917
87 W A -1.4848
88 N A -1.7278
89 D A -1.3230
90 P A -1.1062
91 S A -0.8381
92 V A 0.0000
93 Q A -1.3323
94 Q A -1.3582
95 D A 0.0000
96 I A -0.7083
97 K A -1.5676
98 F A -0.1202
99 L A -0.4078
100 P A -1.1371
101 F A 0.0000
102 K A -1.9977
103 V A -1.1161
104 V A -1.2591
105 E A -2.5892
106 K A -2.8108
107 K A -2.9158
108 T A -2.0571
109 K A 0.0000
110 P A 0.0000
111 Y A -1.0341
112 I A 0.0000
113 Q A -1.3209
114 V A 0.0000
115 D A -1.7267
116 I A -1.4149
117 G A -1.9203
118 G A -1.6641
119 G A -1.7319
120 Q A -1.9032
121 T A -1.3896
122 K A -1.0597
123 T A -0.8660
124 F A 0.0000
125 A A 0.0000
126 P A 0.0000
127 E A 0.0000
128 E A 0.0000
129 I A 0.0000
130 S A 0.0000
131 A A 0.0000
132 M A 0.0000
133 V A 0.0000
134 L A 0.0000
135 T A -0.7346
136 K A -0.7694
137 M A 0.0000
138 K A -0.9966
139 E A -1.7928
140 T A 0.0000
141 A A 0.0000
142 E A 0.0000
143 A A -0.7320
144 Y A 0.1273
145 L A -0.4354
146 G A -1.0406
147 K A -2.1618
148 K A -2.5485
149 V A 0.0000
150 T A -1.2477
151 H A 0.0000
152 A A 0.0000
153 V A 0.0000
154 V A 0.0000
155 T A 0.0000
156 V A 0.0000
157 P A 0.0000
158 A A 0.0000
159 Y A -0.0721
160 F A 0.0000
161 N A -0.4261
162 D A -0.6625
163 A A -0.6071
164 Q A 0.0000
165 R A 0.0000
166 Q A -0.6832
167 A A 0.0000
168 T A 0.0000
169 K A -0.6087
170 D A 0.0000
171 A A 0.0000
172 G A 0.0000
173 T A -0.7051
174 I A 0.0000
175 A A 0.0000
176 G A -0.8999
177 L A 0.0000
178 N A -1.2690
179 V A 0.0000
180 M A -0.1190
181 R A -0.0219
182 I A 0.0000
183 I A 0.0000
184 N A 0.0000
185 E A 0.0000
186 P A 0.0000
187 T A 0.0000
188 A A 0.0000
189 A A 0.0000
190 A A 0.0000
191 I A 0.0000
192 A A -0.1027
193 Y A 0.0000
194 G A 0.0000
195 L A -1.4954
196 D A -2.8614
197 K A -3.4380
198 R A -4.2127
199 E A -3.9388
200 G A -3.0910
201 E A -3.2843
202 K A -2.5088
203 N A -1.2887
204 I A 0.0000
205 L A 0.0000
206 V A 0.0000
207 F A 0.0000
208 D A 0.0000
209 L A 0.0000
210 G A -0.2808
211 G A -0.1999
212 G A 0.0000
213 T A 0.0000
214 F A 0.0000
215 D A 0.0000
216 V A 0.0000
217 S A 0.0000
218 L A 0.0000
219 L A 0.0000
220 T A -0.8033
221 I A 0.0000
222 D A -2.4964
223 N A -2.8824
224 G A 0.0000
225 V A 0.1246
226 F A 0.0000
227 E A 0.0452
228 V A 0.0000
229 V A 0.3693
230 A A 0.0000
231 T A 0.0000
232 N A 0.0000
233 G A -0.7500
234 D A -1.0887
235 T A -0.5008
236 H A -0.5432
237 L A 0.0000
238 G A 0.0000
239 G A 0.0000
240 E A 0.0000
241 D A -0.4890
242 F A 0.0000
243 D A 0.0000
244 Q A -0.5562
245 R A -0.8433
246 V A 0.0000
247 M A 0.0000
248 E A -1.2186
249 H A -0.9631
250 F A 0.0000
251 I A 0.0000
252 K A -2.9860
253 L A -2.1725
254 Y A 0.0000
255 K A -3.6303
256 K A -3.6871
257 K A -3.2532
258 T A -2.3597
259 G A -2.6132
260 K A -3.1590
261 D A -2.7225
262 V A 0.0000
263 R A -2.9176
264 K A -3.0759
265 D A -2.7871
266 N A -2.5154
267 R A -2.8446
268 A A 0.0000
269 V A -1.3624
270 Q A 0.0000
271 K A -1.6671
272 L A 0.0000
273 R A 0.0000
274 R A -1.6794
275 E A -2.5100
276 V A 0.0000
277 E A -2.0939
278 K A -3.1054
279 A A 0.0000
280 K A -2.1699
281 R A -3.1046
282 A A -2.4642
283 L A 0.0000
284 S A -1.8766
285 S A -1.7479
286 Q A -2.4897
287 H A -2.3857
288 Q A -2.7069
289 A A -2.8077
290 R A -2.9756
291 I A 0.0000
292 E A -3.3997
293 I A 0.0000
294 E A -3.4358
295 S A -3.0089
296 F A 0.0000
297 Y A 0.0000
298 E A -2.8830
299 G A -2.7319
300 E A -3.2890
301 D A -3.9034
302 F A 0.0000
303 S A -2.2812
304 E A -1.3140
305 T A -1.6159
306 L A 0.0000
307 T A -1.9414
308 R A -1.8887
309 A A -1.3658
310 K A -1.6725
311 F A 0.0000
312 E A -1.5123
313 E A -2.2403
314 L A -1.2509
315 N A 0.0000
316 M A -1.6989
317 D A -2.2006
318 L A -1.1341
319 F A 0.0000
320 R A -2.5228
321 S A -1.8586
322 T A 0.0000
323 M A -1.3791
324 K A -2.4124
325 P A 0.0000
326 V A 0.0000
327 Q A -2.0720
328 K A -2.2293
329 V A 0.0000
330 L A 0.0000
331 E A -3.1824
332 D A -2.1272
333 S A -1.7322
334 D A -2.7875
335 L A -2.2739
336 K A -2.8656
337 K A -2.4384
338 S A -1.7994
339 D A -1.8349
340 I A 0.0000
341 D A -2.0128
342 E A -1.5360
343 I A 0.0000
344 V A 0.0000
345 L A -0.4969
346 V A 0.0000
347 G A -0.7514
348 G A -1.1897
349 S A 0.0000
350 T A 0.0000
351 R A -1.9536
352 I A 0.0000
353 P A -0.9417
354 K A -1.0954
355 I A 0.0000
356 Q A -1.6375
357 Q A -1.7118
358 L A -1.5219
359 V A 0.0000
360 K A -2.8308
361 E A -3.0519
362 F A -1.6230
363 F A 0.0000
364 N A -2.7727
365 G A -2.7043
366 K A -2.9673
367 E A -3.2628
368 P A -1.9790
369 S A -1.7134
370 R A -2.3234
371 G A -1.3739
372 I A -0.8654
373 N A -1.1400
374 P A -0.9754
375 D A -1.1872
376 E A -0.7526
377 A A 0.0000
378 V A 0.0000
379 A A 0.0000
380 Y A -0.2633
381 G A 0.0000
382 A A 0.0000
383 A A 0.0000
384 V A 0.0000
385 Q A 0.0000
386 A A 0.0000
387 G A 0.0000
388 V A -0.3962
389 L A 0.3430
390 S A -0.6093
391 G A -1.2779
392 D A -2.6418
393 Q A -3.0241
394 D A -3.8340
395 T A 0.0000
396 G A -2.4584
397 D A -2.0015
398 L A 0.0064
399 V A 1.0450
400 L A 1.1685
401 L A 1.1607
402 D A 0.0000
403 V A 0.0000
404 C A 0.0000
405 P A 0.0000
406 L A 0.0000
407 T A 0.0000
408 L A 0.0000
409 G A 0.0000
410 I A 0.0000
411 E A 0.0902
412 T A 1.0028
413 V A 1.8142
414 G A 0.7741
415 G A 0.6257
416 V A 1.6217
417 M A 0.0072
418 T A -0.3617
419 K A -1.7787
420 L A 0.0000
421 I A 0.0000
422 P A -0.8856
423 R A -1.0280
424 N A -0.1466
425 T A 0.3546
426 V A 1.1850
427 V A 0.0000
428 P A -0.0964
429 T A -0.9849
430 K A -2.7381
431 K A -2.1200
432 S A -1.0504
433 Q A -0.1113
434 I A 0.5626
435 F A 0.4539
436 S A -0.2872
437 T A 0.0000
438 A A -0.9324
439 S A -2.3103
440 D A -3.4242
441 N A -2.8147
442 Q A -2.1568
443 P A -1.1926
444 T A -0.6717
445 V A 0.0000
446 T A -0.4376
447 I A 0.0000
448 K A -0.8835
449 V A 0.0000
450 Y A -0.9193
451 E A -1.1364
452 G A -1.6720
453 E A -2.4672
454 R A -2.7218
455 P A -1.2865
456 L A -0.4910
457 T A 0.0000
458 K A -2.1314
459 D A -2.4502
460 N A -1.9225
461 H A -1.2689
462 L A -0.3334
463 L A 0.0000
464 G A 0.0000
465 T A -1.1173
466 F A 0.0000
467 D A -1.0705
468 L A 0.0000
469 T A -0.6713
470 G A -1.0997
471 I A 0.0000
472 P A -0.7897
473 P A -1.5109
474 A A -1.4858
475 P A -2.0802
476 R A -2.9542
477 G A -1.2618
478 V A -0.1807
479 P A 0.0000
480 Q A -0.9807
481 I A 0.0000
482 E A -0.7145
483 V A 0.0000
484 T A -1.2175
485 F A 0.0000
486 E A -2.1126
487 I A 0.0000
488 D A -0.5506
489 V A 0.9570
490 N A 0.0000
491 G A -0.1337
492 I A 0.0000
493 L A 0.0000
494 R A -2.0931
495 V A -1.1081
496 T A -0.8751
497 A A 0.0000
498 E A -2.6408
499 D A 0.0000
500 K A -2.8263
501 G A -1.8719
502 T A -1.9954
503 G A -2.3909
504 N A -3.3866
505 K A -4.0248
506 N A -3.8270
507 K A -3.1927
508 I A 0.0000
509 T A -0.8347
510 I A -0.6370
511 T A -0.8616
512 N A -1.8353
513 D A -2.6627
514 Q A -2.1903
515 N A -2.1640
516 R A -2.1727
517 L A 0.0000
518 T A -1.9076
519 P A -2.3355
520 E A -3.5424
521 E A -3.3775
522 I A 0.0000
523 E A -4.0965
524 R A -4.3335
525 M A -2.8025
526 V A -2.9623
527 N A -3.8163
528 D A -3.2328
529 A A -2.6998
530 E A -4.0321
531 K A -4.0864
532 F A -3.1265
533 A A -3.3503
534 E A -4.2238
535 E A -4.5189
536 D A -3.7016
537 K A -4.3752
538 K A -4.4576
539 L A -3.1013
540 K A -3.6574
541 E A -4.1508
542 R A -3.7375
543 I A -2.7903
544 D A -3.6096
545 T A -3.3117
546 R A -3.3051
547 N A -2.9377
548 E A -3.2431
549 L A 0.0000
550 E A -2.1535
551 S A -1.3209
552 Y A -1.0512
553 A A 0.0000
554 Y A -0.5172
555 S A -0.7898
556 L A 0.0000
557 K A -2.3207
558 N A -2.2389
559 Q A -2.5507
560 I A 0.0000
561 G A -2.7099
562 D A -3.5268
563 K A -4.1257
564 E A -4.1287
565 K A -3.8843
566 L A -2.6191
567 G A -3.1432
568 G A -3.3643
569 K A -2.9330
570 L A -2.2257
571 S A -1.7798
572 S A -2.1665
573 E A -3.1230
574 D A -2.8120
575 K A -3.0881
576 E A -3.7830
577 T A -2.6454
578 M A 0.0000
579 E A -4.0247
580 K A -4.0560
581 A A 0.0000
582 V A 0.0000
583 E A -3.8713
584 E A -3.7905
585 K A 0.0000
586 I A 0.0000
587 E A -3.5336
588 W A -2.3722
589 L A 0.0000
590 E A -3.0852
591 S A -2.1418
592 H A -2.5563
593 Q A -2.4488
594 D A -2.9218
595 A A -2.5185
596 D A -3.4587
597 I A -2.7985
598 E A -3.0295
599 D A -3.1446
600 F A 0.0000
601 K A -3.1995
602 A A -2.5369
603 K A -2.6985
604 K A -3.3459
605 K A -3.7640
606 E A -3.2607
607 L A 0.0000
608 E A -3.3089
609 E A -3.4415
610 I A -1.5830
611 V A 0.0000
612 Q A -2.1633
613 P A -1.5363
614 I A 0.0000
615 I A -0.6117
616 S A -0.8274
617 K A -1.5587
618 L A -0.4882
619 Y A 0.5135
620 G A -0.6270
621 S A -0.6210
622 A A -0.3041
623 G A -0.6193
624 P A -0.6199
625 P A -0.7114
626 P A -0.9588
627 T A -1.3457
628 G A -2.2864
629 E A -3.5631
630 E A -3.7392
631 D A -3.5846
632 T A -2.4871
633 A A -2.4115
634 E A -3.6821
635 K A -3.7607
636 D A -3.3687
637 E A -2.4934
638 L A -0.0075
639 L A 0.1678
640 E A -1.8248
641 H A -2.1136
642 H A -2.7091
643 H A -2.9674
644 H A -2.6854
645 H A -2.4125
646 H A -1.8903
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Laboratory of Theory of Biopolymers 2018