Project name: Bunf3

Status: done

Started: 2026-04-22 05:17:43
Settings
Chain sequence(s) A: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:21:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:22:00)
Show buried residues

Minimal score value
-4.0223
Maximal score value
1.6505
Average score
-1.0193
Total score value
-594.252

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 D A -2.2216
2 T A -1.9039
3 H A -2.4723
4 K A -2.7871
5 S A -2.0959
6 E A -2.2757
7 I A -0.7461
8 A A -0.5363
9 H A -1.5099
10 R A -0.8708
11 F A -0.1845
12 K A -1.5503
13 D A -1.3077
14 L A -0.8697
15 G A -1.6167
16 E A -2.8010
17 E A -2.8118
18 H A -1.5989
19 F A -0.8647
20 K A -1.3982
21 G A 0.0000
22 L A 0.0920
23 V A 0.0000
24 L A 0.0000
25 I A 0.0000
26 A A 0.0000
27 F A 0.0000
28 S A 0.0000
29 Q A 0.0000
30 Y A 0.0000
31 L A 0.0000
32 Q A -1.0202
33 Q A -0.3486
34 C A -0.1462
35 P A 0.0000
36 F A -0.3025
37 D A -1.3261
38 E A -2.2301
39 H A 0.0000
40 V A 0.0000
41 K A -2.0502
42 L A -1.7594
43 V A 0.0000
44 N A -2.2557
45 E A -2.7991
46 L A 0.0000
47 T A 0.0000
48 E A -2.8809
49 F A -1.5196
50 A A -1.2973
51 K A -1.8729
52 T A -1.1802
53 C A 0.0000
54 V A 0.9069
55 A A -0.3916
56 D A -1.8819
57 E A -2.5295
58 S A -1.8751
59 H A -1.7711
60 A A -1.4965
61 G A -1.6166
62 C A -1.3106
63 E A -2.4142
64 K A -2.0911
65 S A -0.4249
66 L A 0.8924
67 H A -0.3347
68 T A -0.6861
69 L A 0.0000
70 F A 0.0000
71 G A -2.6466
72 D A -2.9578
73 E A -1.9732
74 L A 0.0000
75 C A -1.9085
76 K A -2.4006
77 V A 0.0000
78 A A -1.0275
79 S A -1.1205
80 L A 0.0000
81 R A -3.0313
82 E A -2.6975
83 T A -1.4191
84 Y A -1.0634
85 G A -1.8813
86 D A -2.7271
87 M A -1.5897
88 A A -1.9139
89 D A -3.1434
90 C A 0.0000
91 C A -3.1655
92 E A -3.4137
93 K A -3.8534
94 Q A -4.0223
95 E A -3.9965
96 P A -2.9625
97 E A -3.9515
98 R A -3.7869
99 N A -2.9875
100 E A -3.2027
101 C A 0.0000
102 F A 0.0000
103 L A -0.6440
104 S A -1.3841
105 H A -1.5413
106 K A -2.8818
107 D A -3.0725
108 D A -2.1273
109 S A -1.5361
110 P A 0.0000
111 D A -1.1650
112 L A -0.1331
113 P A -0.7680
114 K A -1.1569
115 L A -0.1236
116 K A -1.6635
117 P A -1.7338
118 D A -2.3647
119 P A -2.1127
120 N A -2.6194
121 T A -2.3148
122 L A -1.8147
123 C A 0.0000
124 D A -3.1195
125 E A -2.6896
126 F A 0.0000
127 K A -3.4053
128 A A -2.5510
129 D A -3.3863
130 E A -3.0011
131 K A -1.9060
132 K A 0.0000
133 F A 0.0000
134 W A 0.0000
135 G A 0.0000
136 K A -0.2019
137 Y A -0.1080
138 L A 0.0000
139 Y A 0.0000
140 E A 0.0000
141 I A 0.1007
142 A A 0.0000
143 R A -0.8813
144 R A 0.0000
145 H A -0.8099
146 P A -0.5624
147 Y A -0.8193
148 F A 0.0000
149 Y A 0.0000
150 A A 0.0886
151 P A 0.0000
152 E A 0.0000
153 L A 0.0000
154 L A 0.0000
155 Y A -0.2312
156 Y A 0.0000
157 A A 0.0000
158 N A -0.9985
159 K A -1.1595
160 Y A -0.6761
161 N A 0.0000
162 G A -1.4120
163 V A -0.8394
164 F A 0.0000
165 Q A -2.5650
166 E A -2.6281
167 C A 0.0000
168 C A -2.5920
169 Q A -2.5000
170 A A -2.3709
171 E A -3.2301
172 D A -2.9768
173 K A -1.6746
174 G A -0.8942
175 A A -0.0822
176 C A 0.0000
177 L A 0.4440
178 L A 1.1245
179 P A 0.1176
180 K A -0.3463
181 I A 0.0000
182 E A -1.1792
183 T A -1.1323
184 M A -1.3780
185 R A -2.5211
186 E A -2.3146
187 K A -1.7628
188 V A 0.0000
189 L A 0.0000
190 T A -0.8473
191 S A 0.0000
192 S A 0.0000
193 A A -0.3420
194 R A -0.6571
195 Q A 0.0000
196 R A -0.6201
197 L A 0.0000
198 R A -0.7490
199 C A -1.1692
200 A A -0.8341
201 S A 0.0000
202 I A -1.1193
203 Q A -1.6610
204 K A -1.4958
205 F A -0.4641
206 G A -1.1610
207 E A -2.1120
208 R A -2.4223
209 A A -1.0715
210 L A 0.0000
211 K A 0.0000
212 A A -1.0616
213 W A 0.0000
214 S A 0.0000
215 V A 0.0000
216 A A 0.0000
217 R A -0.2300
218 L A -0.1685
219 S A -0.0234
220 Q A 0.0000
221 K A -0.8842
222 F A 0.0000
223 P A -0.3374
224 K A -0.4904
225 A A -0.1460
226 E A -0.6127
227 F A -0.2850
228 V A -0.4219
229 E A -1.7332
230 V A 0.0000
231 T A 0.0000
232 K A -2.2410
233 L A -1.4341
234 V A 0.0000
235 T A -1.8359
236 D A -2.2691
237 L A 0.0000
238 T A 0.0000
239 K A -2.8620
240 V A 0.0000
241 H A 0.0000
242 K A -2.4743
243 E A -2.9256
244 C A 0.0000
245 C A -1.2213
246 H A -1.8205
247 G A -1.5038
248 D A -1.0164
249 L A -0.1316
250 L A 0.2955
251 E A -0.8276
252 C A 0.0000
253 A A -0.3298
254 D A 0.0000
255 D A -1.1203
256 R A 0.0000
257 A A 0.0000
258 D A -0.9457
259 L A 0.0000
260 A A 0.0000
261 K A -1.8409
262 Y A -0.4631
263 I A -1.0168
264 C A 0.0000
265 D A -2.7031
266 N A -2.3046
267 Q A -2.0883
268 D A -2.3911
269 T A -1.2022
270 I A -1.2210
271 S A 0.0000
272 S A -2.2263
273 K A -3.1597
274 L A 0.0000
275 K A -3.5722
276 E A -3.7915
277 C A 0.0000
278 C A -2.8301
279 D A -3.2194
280 K A -2.5542
281 P A -1.3679
282 L A 0.0000
283 L A -0.3383
284 E A -1.0762
285 K A 0.0000
286 S A 0.0000
287 H A 0.0000
288 C A -0.9038
289 I A 0.0000
290 A A -0.2518
291 E A -0.8339
292 V A -1.0171
293 E A -1.9970
294 K A -1.6078
295 D A -1.4344
296 A A -0.5827
297 I A -0.8422
298 P A -1.2583
299 E A -2.9438
300 N A -2.1703
301 L A 0.1735
302 P A 0.0403
303 P A 0.6038
304 L A 1.5266
305 T A 0.2415
306 A A -0.3606
307 D A -1.4777
308 F A -0.3387
309 A A -1.3491
310 E A -2.9584
311 D A -3.2384
312 K A -3.1361
313 D A -1.8118
314 V A -0.1826
315 C A -0.2828
316 K A -0.8984
317 N A -1.3139
318 Y A -1.4108
319 Q A -1.9123
320 E A -2.0032
321 A A 0.0000
322 K A -2.6512
323 D A -2.1535
324 A A 0.0000
325 F A 0.0000
326 L A 0.0000
327 G A 0.0000
328 S A -0.0361
329 F A 0.0000
330 L A 0.0000
331 Y A 0.3107
332 E A -1.3832
333 Y A -1.0532
334 S A -1.3317
335 R A -2.2998
336 R A -3.2296
337 H A -2.7307
338 P A -1.9010
339 E A -1.1537
340 Y A -0.0165
341 A A 0.3286
342 V A 0.0000
343 S A 0.1028
344 V A 0.4190
345 L A 0.1384
346 L A 0.0000
347 R A -1.5612
348 L A -0.9387
349 A A 0.0000
350 K A -2.5914
351 E A -2.6394
352 Y A -1.3246
353 E A -2.4792
354 A A -1.6361
355 T A -1.3759
356 L A 0.0000
357 E A -2.2504
358 E A -3.0868
359 C A 0.0000
360 C A 0.0000
361 A A -1.7305
362 K A -3.1941
363 D A -3.6313
364 D A -2.8639
365 P A -2.0555
366 H A -1.6232
367 A A -1.1176
368 C A -0.9329
369 Y A -0.1482
370 S A -0.4291
371 T A -0.0546
372 V A 0.4950
373 F A 0.1676
374 D A -0.9267
375 K A -1.5217
376 L A 0.1762
377 K A -1.6710
378 H A -1.5934
379 L A 0.6598
380 V A 0.7245
381 D A -1.5216
382 E A -2.4038
383 P A -1.4004
384 Q A -2.2242
385 N A -2.0492
386 L A -0.9851
387 I A -0.8460
388 K A -2.5228
389 Q A -2.1703
390 N A -1.3918
391 C A -1.6304
392 D A -2.6065
393 Q A -2.6026
394 F A -2.0144
395 E A -2.8383
396 K A -2.9170
397 L A -1.1170
398 G A -1.0582
399 E A 0.0000
400 Y A -0.9503
401 G A 0.0000
402 F A 0.0000
403 Q A -0.7260
404 N A -0.2907
405 A A -0.0912
406 L A 0.1120
407 I A 0.3296
408 V A -0.4049
409 R A -1.8097
410 Y A -0.6329
411 T A -0.7850
412 R A -2.0506
413 K A -1.8565
414 V A -0.5113
415 P A -0.8498
416 Q A -0.8373
417 V A 0.5794
418 S A 0.3551
419 T A 0.3872
420 P A 0.1533
421 T A 0.4113
422 L A 1.1701
423 V A 0.2006
424 E A -0.2798
425 V A 0.3326
426 S A -0.2941
427 R A -0.9806
428 S A -0.5060
429 L A -0.8024
430 G A -1.5760
431 K A -2.2684
432 V A 0.0000
433 G A -1.1681
434 T A -1.2628
435 R A -1.1323
436 C A 0.0000
437 C A -1.1169
438 T A -1.1807
439 K A -2.1160
440 P A -2.0499
441 E A -2.7066
442 S A -1.8182
443 E A -2.0407
444 R A -1.7412
445 M A -0.7887
446 P A -0.4055
447 C A 0.0000
448 T A -0.2360
449 E A 0.0000
450 D A 0.0000
451 Y A 0.0000
452 L A 0.3907
453 S A 0.0000
454 L A 0.2346
455 I A 0.4885
456 L A 0.0000
457 N A 0.0192
458 R A -0.2027
459 L A 0.0000
460 C A 0.0000
461 V A -0.1714
462 L A -0.6501
463 H A 0.0000
464 E A -2.3270
465 K A -2.5828
466 T A -1.5293
467 P A -1.4369
468 V A -0.9971
469 S A -1.8613
470 E A -2.9812
471 K A -3.0988
472 V A 0.0000
473 T A -2.3195
474 K A -2.7692
475 C A 0.0000
476 C A 0.0000
477 T A -1.0707
478 E A -1.1525
479 S A -0.5204
480 L A -0.1069
481 V A -0.1100
482 N A -0.4888
483 R A 0.0000
484 R A -0.4746
485 P A -0.3052
486 C A 0.0000
487 F A -0.1257
488 S A -0.0901
489 A A -0.0728
490 L A -0.6944
491 T A -0.8041
492 P A -1.7362
493 D A -3.1080
494 E A -2.8608
495 T A -0.7386
496 Y A 0.5414
497 V A -0.2524
498 P A -0.8026
499 K A -2.1718
500 A A -1.6313
501 F A -1.6755
502 D A -2.4339
503 E A -3.0025
504 K A -1.6522
505 L A 0.4303
506 F A 0.5900
507 T A 0.4698
508 F A 0.4502
509 H A -0.7293
510 A A -1.3847
511 D A -1.9843
512 I A 0.0000
513 C A 0.0000
514 T A -1.5784
515 L A -1.3981
516 P A -1.6375
517 D A -2.5626
518 T A -1.8302
519 E A -2.1634
520 K A -2.1152
521 Q A -1.8133
522 I A -1.1587
523 K A -1.7220
524 K A 0.0000
525 Q A -0.6239
526 T A -0.5071
527 A A 0.0000
528 L A 0.4074
529 V A 0.0000
530 E A -0.0428
531 L A 0.5334
532 L A -0.2619
533 K A -1.4560
534 H A -1.5051
535 K A -2.2087
536 P A -1.9012
537 K A -1.6308
538 A A -1.2131
539 T A -1.6017
540 E A -2.1991
541 E A -2.8395
542 Q A -2.2044
543 L A -1.0978
544 K A -2.2440
545 T A -0.7820
546 V A 0.5514
547 M A -0.7392
548 E A -1.8877
549 N A -1.0884
550 F A 0.4642
551 V A -0.0544
552 A A -0.5322
553 F A 0.1774
554 V A 0.0000
555 D A -1.5439
556 K A -1.5499
557 C A 0.0000
558 C A 0.0000
559 A A -1.1801
560 A A -1.4495
561 D A -3.0119
562 D A -2.6859
563 K A -3.4768
564 E A -2.7065
565 A A -1.2773
566 C A 0.0000
567 F A 1.4828
568 A A 0.7410
569 V A 0.5797
570 E A -1.1284
571 G A -0.6597
572 P A -0.7749
573 K A -0.8367
574 L A 1.0361
575 V A 1.6505
576 V A 1.4559
577 S A 0.1732
578 T A -0.3785
579 Q A -1.3726
580 T A -0.6538
581 A A -0.1756
582 L A 1.4327
583 A A 0.8078
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Laboratory of Theory of Biopolymers 2018