Project name: aa625c549738f43

Status: done

Started: 2026-06-22 05:54:13
Settings
Chain sequence(s) A: ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFNVQ
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:46)
Show buried residues

Minimal score value
-3.6722
Maximal score value
2.1484
Average score
-0.5284
Total score value
-291.6872

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
18 A A -0.7503
19 N A -1.0781
20 P A -0.6692
21 C A -0.4646
22 C A 0.0000
23 S A -0.1212
24 N A -0.3191
25 P A -0.7155
26 C A -1.3650
27 Q A -1.3172
28 N A -1.5188
29 R A -2.1053
30 G A -1.9779
31 E A -1.4529
32 C A -0.5227
33 M A -0.0733
34 S A -0.4097
35 T A -0.6127
36 G A -0.5534
37 F A 0.4363
38 D A -1.5925
39 Q A -1.8029
40 Y A -1.1545
41 K A -2.1094
42 C A 0.0000
43 D A -2.0885
44 C A -1.6849
45 T A -1.3555
46 R A -2.0267
47 T A -1.6099
48 G A -0.6459
49 F A -0.4943
50 Y A -0.2259
51 G A -1.0659
52 E A -2.2916
53 N A -1.7095
54 C A 0.0000
55 T A -0.6870
56 T A -0.3398
57 P A 0.1932
58 E A 0.3150
59 F A 1.8329
60 L A 1.8073
61 T A 0.0000
62 R A 0.3593
63 I A 1.2670
64 K A 0.2434
65 L A 1.2197
66 L A 1.7223
67 L A 1.2653
68 K A -0.5791
69 P A -0.4992
70 T A -0.6835
71 P A -0.4042
72 N A -0.5920
73 T A 0.1642
74 V A 0.8584
75 H A 0.7656
76 Y A 1.7527
77 I A 1.7593
78 L A 0.8631
79 T A 0.5789
80 H A 0.6474
81 F A 1.2205
82 K A -0.7124
83 G A 0.0584
84 V A 1.7238
85 W A 0.0000
86 N A -0.4702
87 I A 1.4122
88 V A 1.0817
89 N A -0.1612
90 N A -0.5017
91 I A 0.9382
92 P A 0.9831
93 F A 2.1484
94 L A 1.6728
95 R A 0.7432
96 S A 0.8176
97 L A 1.4076
98 I A 1.1263
99 M A 0.0000
100 K A 0.2617
101 Y A 1.3944
102 V A 0.8766
103 L A 0.0000
104 T A 0.2803
105 S A 0.3848
106 R A 0.3095
107 S A 0.2487
108 Y A 1.1745
109 L A 0.0000
110 I A 0.2959
111 D A -0.2589
112 S A -0.4308
113 P A -0.4870
114 P A -0.4693
115 T A -0.2329
116 Y A -0.2293
117 N A 0.0000
118 V A -0.5845
119 H A -1.0852
120 Y A -0.3891
121 G A -0.0050
122 Y A 0.3128
123 K A -0.8747
124 S A -0.1937
125 W A 0.3326
126 E A -0.7633
127 A A 0.0000
128 F A 0.1869
129 S A 0.0602
130 N A -0.0639
131 L A 0.4243
132 S A -0.0876
133 Y A 0.0000
134 Y A 0.0000
135 T A 0.0245
136 R A 0.0000
137 A A 0.0000
138 L A -0.0648
139 P A -0.1783
140 P A -0.7982
141 V A 0.0000
142 A A -1.8365
143 D A -2.9890
144 D A -2.7953
145 C A -1.5456
146 P A -1.5392
147 T A -1.8083
148 P A -1.9799
149 M A -0.9591
150 G A 0.0000
151 V A 0.1494
152 K A -1.3592
153 G A -2.2234
154 N A -3.0868
155 K A -3.3232
156 E A -3.4753
157 L A 0.0000
158 P A -1.9836
159 D A -2.7095
160 S A 0.0000
161 K A -2.5217
162 E A -2.6194
163 V A 0.0000
164 L A 0.0000
165 E A -2.2491
166 K A -1.8516
167 V A 0.0000
168 L A 0.0000
169 L A 0.0000
170 R A 0.0000
171 R A -2.4881
172 E A -2.6790
173 F A -1.1347
174 I A 0.0713
175 P A 0.1159
176 D A 0.0000
177 P A -0.7621
178 Q A -0.8202
179 G A -0.7555
180 S A 0.0000
181 N A 0.0000
182 M A 0.0000
183 M A 0.0000
184 F A 0.0000
185 A A 0.0000
186 F A 0.0000
187 F A 0.0000
188 A A 0.0000
189 Q A -0.2961
190 H A 0.0000
191 F A 0.0000
192 T A 0.0000
193 H A -0.3241
194 Q A 0.0000
195 F A 0.0000
196 F A 0.0000
197 K A 0.0000
198 T A -1.0156
199 D A 0.0000
200 H A -2.5125
201 K A -3.0702
202 R A -2.9860
203 G A -2.0241
204 P A -1.2301
205 G A 0.0000
206 F A -0.7885
207 T A 0.0000
208 R A -1.0094
209 G A 0.0000
210 L A -0.2008
211 G A -0.7383
212 H A 0.0000
213 G A -0.4666
214 V A 0.0000
215 D A -0.7781
216 L A 0.0000
217 N A 0.0000
218 H A 0.0000
219 I A 0.0000
220 Y A 0.0000
221 G A 0.0000
222 E A -1.9309
223 T A -0.7721
224 L A 0.0728
225 D A -1.5877
226 R A 0.0000
227 Q A 0.0000
228 H A -0.5714
229 K A -1.2760
230 L A 0.0000
231 R A 0.0000
232 L A 0.4710
233 F A 0.0497
234 K A -1.5972
235 D A -2.0322
236 G A 0.0000
237 K A -0.9033
238 L A 0.0000
239 K A -0.2515
240 Y A 0.7369
241 Q A 0.7970
242 V A 1.9000
243 I A 1.1580
244 G A 0.0574
245 G A -0.0122
246 E A 0.1503
247 V A 1.0016
248 Y A 0.0000
249 P A 0.0000
250 P A 0.0000
251 T A 0.0000
252 V A -2.6088
253 K A -3.6722
254 D A -3.2842
255 T A 0.0000
256 Q A -2.6832
257 V A 0.0000
258 E A -1.9437
259 M A -0.2094
260 I A 1.2218
261 Y A 0.3995
262 P A 0.1122
263 P A -0.7061
264 H A -1.1984
265 I A -0.9923
266 P A -1.6003
267 E A -3.1567
268 N A -2.6131
269 L A -1.2058
270 Q A -1.1824
271 F A 0.0000
272 A A 0.0000
273 V A 0.0000
274 G A 0.0000
275 Q A 0.0000
276 E A -0.0881
277 V A 0.6626
278 F A 0.0000
279 G A 0.0000
280 L A 1.0701
281 V A 0.6594
282 P A 0.0000
283 G A 0.0000
284 L A 0.0000
285 M A 0.0000
286 M A 0.0000
287 Y A 0.0000
288 A A 0.0000
289 T A 0.0000
290 I A 0.0000
291 W A 0.0000
292 L A 0.0000
293 R A -0.3297
294 E A 0.0000
295 H A 0.0000
296 N A 0.0000
297 R A -1.1683
298 V A 0.0000
299 C A 0.0000
300 D A -2.5104
301 I A -1.2546
302 L A 0.0000
303 K A -2.7320
304 Q A -2.6783
305 E A -2.3400
306 H A -2.2968
307 P A -2.0297
308 E A -2.3191
309 W A -1.9767
310 G A -1.9162
311 D A -2.1297
312 E A -2.1344
313 Q A -2.1435
314 L A 0.0000
315 F A 0.0000
316 Q A -1.3403
317 T A 0.0000
318 S A 0.0000
319 R A -0.4626
320 L A 0.1154
321 I A 0.0000
322 L A 0.0000
323 I A 0.0000
324 G A 0.0000
325 E A 0.0000
326 T A 0.0000
327 I A 0.0000
328 K A -0.4854
329 I A 0.0000
330 V A 0.0000
331 I A 0.0000
332 E A -0.6265
333 D A -0.6166
334 Y A 0.0000
335 V A 0.1004
336 Q A -0.4509
337 H A -0.4436
338 L A -0.0016
339 S A -0.0587
340 G A -0.5723
341 Y A -0.1881
342 H A -0.7174
343 F A 0.0000
344 K A -1.3214
345 L A 0.0000
346 K A -0.7440
347 F A 0.0000
348 D A -1.0182
349 P A 0.0000
350 E A -2.0994
351 L A 0.0000
352 L A 0.0000
353 F A -1.2040
354 N A -1.8956
355 Q A -2.0122
356 Q A -1.7045
357 F A -0.7464
358 Q A -1.0870
359 Y A -0.5327
360 Q A -0.8651
361 N A -0.8980
362 R A -0.3966
363 I A 0.0000
364 A A 0.0000
365 S A 0.0000
366 E A 0.0000
367 F A 0.0000
368 N A 0.0000
369 T A 0.0000
370 L A 0.0000
371 Y A -0.0727
372 H A -0.1922
373 W A 0.0000
374 H A -0.2689
375 P A 0.0000
376 L A 0.0000
377 L A 0.0000
378 P A 0.0000
379 D A -1.9619
380 T A -1.8933
381 F A 0.0000
382 N A -2.5941
383 I A 0.0000
384 E A -3.5051
385 D A -3.5568
386 Q A -3.2610
387 E A -3.3539
388 Y A -2.1151
389 S A -1.7606
390 F A -1.3296
391 K A -2.0376
392 Q A -2.0241
393 F A 0.0000
394 L A -0.1495
395 Y A 0.4801
396 N A -0.3237
397 N A 0.0000
398 S A -0.5843
399 I A 0.0000
400 L A 0.0000
401 L A -0.6195
402 E A -1.7564
403 H A -1.3240
404 G A -0.8761
405 L A 0.0000
406 T A -0.6199
407 Q A -1.3213
408 F A 0.0000
409 V A 0.0000
410 E A -1.2315
411 S A 0.0000
412 F A 0.0000
413 T A 0.0000
414 R A -2.2459
415 Q A -1.0736
416 I A -0.1676
417 A A 0.0000
418 G A 0.0000
419 R A -0.3608
420 V A 0.0000
421 A A 0.0000
422 G A -0.7793
423 G A 0.0000
424 R A -1.4640
425 N A 0.0000
426 V A 0.0000
427 P A 0.0000
428 I A 0.8433
429 A A 0.3330
430 V A 0.0000
431 Q A 0.1264
432 A A 0.3532
433 V A 0.7644
434 A A 0.0000
435 K A -1.0717
436 A A -0.5622
437 S A 0.0000
438 I A 0.0000
439 D A -1.7901
440 Q A -1.6605
441 S A 0.0000
442 R A -1.9946
443 E A -2.5314
444 M A 0.0000
445 K A -2.0405
446 Y A 0.0000
447 Q A 0.0000
448 S A 0.0000
449 L A 0.0000
450 N A 0.0000
451 E A -0.9171
452 Y A 0.0000
453 R A 0.0000
454 K A -1.7506
455 R A 0.0000
456 F A 0.0000
457 S A -1.1249
458 L A 0.0000
459 K A -2.0048
460 P A -1.3868
461 Y A -1.1478
462 T A -1.0081
463 S A -1.5057
464 F A 0.0000
465 E A -3.5901
466 E A -2.9222
467 L A 0.0000
468 T A 0.0000
469 G A -2.6419
470 E A -2.9724
471 K A -3.5794
472 E A -3.3014
473 M A -2.3028
474 A A 0.0000
475 A A -2.2324
476 E A -1.9492
477 L A 0.0000
478 K A -2.3314
479 A A -0.9896
480 L A -1.0608
481 Y A 0.0000
482 S A -1.4350
483 D A -1.6390
484 I A -1.2582
485 D A -1.1904
486 V A 0.0000
487 M A 0.0000
488 E A 0.0000
489 L A 0.0000
490 Y A 0.0000
491 P A 0.0000
492 A A 0.0000
493 L A 0.0000
494 L A 0.0000
495 V A 0.0000
496 E A 0.0000
497 K A -2.2062
498 P A -1.3044
499 R A 0.0000
500 P A -1.2114
501 D A -2.0676
502 A A -1.3026
503 I A 0.0000
504 F A 0.0000
505 G A 0.0000
506 E A 0.0000
507 T A 0.0000
508 M A 0.0000
509 V A 0.2549
510 E A 0.0000
511 L A 0.0000
512 G A 0.0902
513 A A 0.1084
514 P A 0.0000
515 F A 0.0000
516 S A 0.0837
517 L A 0.1476
518 K A 0.0000
519 G A -0.2159
520 L A 0.0000
521 M A 0.0000
522 G A 0.0000
523 N A -0.4899
524 P A -0.5020
525 I A 0.0000
526 C A 0.0000
527 S A -0.6561
528 P A -0.9242
529 Q A -1.1690
530 Y A -0.2787
531 W A 0.0000
532 K A -1.3825
533 P A -1.2119
534 S A -0.6716
535 T A -0.5150
536 F A 0.0000
537 G A 0.0000
538 G A -1.2790
539 E A -1.9093
540 V A -0.5257
541 G A 0.0000
542 F A -1.2148
543 K A -1.8389
544 I A -0.6575
545 I A 0.0000
546 N A -0.9857
547 T A -0.7364
548 A A 0.0000
549 S A -0.3670
550 I A 0.0000
551 Q A -0.1146
552 S A -0.2456
553 L A 0.0000
554 I A 0.0000
555 C A -0.4126
556 N A -1.5449
557 N A 0.0000
558 V A 0.0000
559 K A -2.0309
560 G A -0.9930
561 C A -0.1829
562 P A 0.0000
563 F A 1.5668
564 T A 0.0000
565 S A -0.3936
566 F A 0.0000
567 N A -0.9504
568 V A -0.9792
569 Q A -1.5014
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Laboratory of Theory of Biopolymers 2018