Project name: wild type

Status: done

Started: 2026-06-13 17:43:26
Settings
Chain sequence(s) A: QPGGNRTESPEPNATATPAIPTILVTSVTSETPATSAPEAEGPQSGGLPPPPRAVPSSSSPQAQALTEDGRPCRFPFRYGGRMLHACTSEGSAHRKWCATTHNYDRDRAWGYCVEATPPPGGPAALDPCASGPCLNGGSCSNTQDPQSYHCSCPRAFTGKDCGTEKCFDETRYEYLEGGDRWARVRQGHVEQCECFGGRTWCEGTRHTACLSSPCLNGGTCHLIVATGTTVCACPPGFAGRLCNIEPDERCFLGNGTGYRGVASTSASGLSCLAWNSDLLYQELHVDSVGAAALLGLGPHAYCRNPDNDERPWCYVVKDSALSWEYCRLEACESLTRVQLSPDLLATLPEPASPGRQACGRRHKKRTFLRPRIIGGSSSLPGSHPWLAAIYIGDSFCAGSLVHTCWVVSAAHCFSHSPPRDSVSVVLGQHFFNRTTDVTQTFGIEKYIPYTLYSVFNPSDHDLVLIRLKKKGDRCATRSQFVQPICLPEPGSTFPAGHKCQIAGWGHLDENVSGYSSSLREALVPLVADHKCSSPEVYGADISPNMLCAGYFDCKSDACQGDSGGPLACEKNGVAYLYGIISWGDGCGRLHKPGVYTRVANYVDWINDRIRPPRRLVAPS
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                                          (00:05:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:12)
Show buried residues

Minimal score value
-4.7424
Maximal score value
3.3222
Average score
-0.6661
Total score value
-412.9559

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 Q A -1.4453
2 P A -1.2702
3 G A -1.4209
4 G A -1.9115
5 N A -2.5492
6 R A -3.0268
7 T A -2.1862
8 E A -2.4541
9 S A -1.7384
10 P A -1.7093
11 E A -2.4251
12 P A -1.9949
13 N A -1.8061
14 A A -0.8531
15 T A -0.3056
16 A A -0.0525
17 T A 0.0411
18 P A 0.1889
19 A A 0.8251
20 I A 2.0515
21 P A 1.3603
22 T A 1.8497
23 I A 3.3222
24 L A 3.2931
25 V A 3.1444
26 T A 1.7603
27 S A 1.1877
28 V A 1.7714
29 T A 0.1942
30 S A -0.7409
31 E A -2.0343
32 T A -1.1395
33 P A -0.7019
34 A A -0.1632
35 T A -0.1898
36 S A -0.2610
37 A A -0.6325
38 P A -1.1271
39 E A -2.3182
40 A A -1.8464
41 E A -2.6205
42 G A -1.8119
43 P A -1.5585
44 Q A -1.8771
45 S A -1.2316
46 G A -0.7027
47 G A -0.2109
48 L A 1.0106
49 P A 0.1666
50 P A -0.5401
51 P A -0.8109
52 P A -1.1341
53 R A -1.5954
54 A A -0.1798
55 V A 1.0674
56 P A 0.1519
57 S A -0.0476
58 S A -0.3596
59 S A -0.7707
60 S A -0.8591
61 P A -1.1788
62 Q A -1.6721
63 A A -1.0926
64 Q A -1.6617
65 A A -0.7056
66 L A -0.6475
67 T A 0.0000
68 E A -2.4183
69 D A -2.7717
70 G A -1.8959
71 R A -1.9869
72 P A -1.2146
73 C A 0.0000
74 R A -0.8878
75 F A -0.4499
76 P A -0.1586
77 F A 0.0000
78 R A 0.0000
79 Y A -0.6510
80 G A -0.5127
81 G A -0.2414
82 R A -0.5447
83 M A 0.0000
84 L A -0.1854
85 H A -0.6139
86 A A -0.4919
87 C A -0.6417
88 T A 0.0000
89 S A -1.7464
90 E A -1.9317
91 G A -1.4550
92 S A -1.4310
93 A A -1.3266
94 H A -2.0323
95 R A -2.4285
96 K A -1.8451
97 W A 0.0000
98 C A 0.0000
99 A A 0.0000
100 T A -0.6541
101 T A -1.0550
102 H A -1.0177
103 N A 0.0000
104 Y A -1.5537
105 D A -1.7175
106 R A -2.1520
107 D A -2.1446
108 R A -2.4297
109 A A -1.1592
110 W A -0.2838
111 G A -0.6128
112 Y A -0.7854
113 C A 0.0000
114 V A -0.0019
115 E A -1.3936
116 A A -0.4955
117 T A -0.5566
118 P A -0.8343
119 P A -0.7123
120 P A -0.7868
121 G A -0.9637
122 G A -0.9248
123 P A -0.3039
124 A A 0.0495
125 A A 0.0362
126 L A 0.6785
127 D A -1.0618
128 P A -0.9718
129 C A -0.7178
130 A A -0.3924
131 S A -0.3840
132 G A -0.5327
133 P A -0.3150
134 C A -0.4852
135 L A -0.0118
136 N A -1.0676
137 G A -0.6816
138 G A -0.6197
139 S A -0.4316
140 C A -0.3837
141 S A -1.0689
142 N A -2.1080
143 T A -1.6762
144 Q A -1.9799
145 D A -1.8771
146 P A -1.6741
147 Q A -1.8019
148 S A -1.5487
149 Y A -1.4163
150 H A -0.8913
151 C A 0.0000
152 S A -0.6430
153 C A -0.7952
154 P A -0.9386
155 R A -1.1016
156 A A -0.9424
157 F A -1.5561
158 T A -1.6735
159 G A -1.7925
160 K A -2.1851
161 D A -1.4257
162 C A 0.0000
163 G A -1.3413
164 T A -1.8982
165 E A -2.6127
166 K A -1.8250
167 C A 0.0000
168 F A 0.1605
169 D A 0.0000
170 E A -1.0235
171 T A -0.9883
172 R A -0.6038
173 Y A -0.1823
174 E A -0.0164
175 Y A 0.0783
176 L A 0.0000
177 E A -2.4415
178 G A -2.1770
179 G A -1.7587
180 D A -2.5085
181 R A -2.5953
182 W A 0.0000
183 A A 0.0000
184 R A -1.2744
185 V A 0.0000
186 R A -2.2069
187 Q A -2.1878
188 G A -1.8434
189 H A -2.3642
190 V A 0.0000
191 E A -1.8842
192 Q A -1.5666
193 C A 0.0000
194 E A -1.7245
195 C A 0.0000
196 F A -0.2019
197 G A -1.1076
198 G A -1.5710
199 R A -1.6579
200 T A -0.4055
201 W A 0.1600
202 C A -0.9229
203 E A -2.0221
204 G A -2.1282
205 T A -1.7010
206 R A -1.7691
207 H A -1.0739
208 T A -0.0620
209 A A 0.4795
210 C A 0.6563
211 L A 1.4767
212 S A 0.4743
213 S A 0.0682
214 P A -0.0649
215 C A -0.3564
216 L A -0.1247
217 N A -1.1021
218 G A -0.8866
219 G A -0.4304
220 T A -0.2685
221 C A 0.0000
222 H A -0.0636
223 L A 0.3033
224 I A 0.0000
225 V A 0.7841
226 A A 0.2414
227 T A -0.0147
228 G A -0.0023
229 T A -0.0037
230 T A -0.1548
231 V A 0.0000
232 C A 0.0000
233 A A -0.6832
234 C A -0.3992
235 P A -0.3493
236 P A -0.3285
237 G A -0.9539
238 F A -0.4000
239 A A 0.0000
240 G A 0.0000
241 R A -1.0703
242 L A -0.1419
243 C A 0.0000
244 N A 0.0000
245 I A 0.0000
246 E A -1.4350
247 P A -1.6248
248 D A -2.6899
249 E A -2.3877
250 R A -2.8134
251 C A -1.7492
252 F A 0.0000
253 L A 0.6014
254 G A -0.5172
255 N A -1.4315
256 G A 0.0000
257 T A -0.9695
258 G A -0.2505
259 Y A 0.0000
260 R A -0.8883
261 G A 0.0000
262 V A -0.4445
263 A A -0.5669
264 S A -0.3090
265 T A -0.5640
266 S A 0.0000
267 A A -0.8940
268 S A -0.6687
269 G A -0.6732
270 L A -0.1368
271 S A -0.2255
272 C A 0.0000
273 L A 0.0921
274 A A -0.2647
275 W A 0.0000
276 N A -1.2071
277 S A -0.7368
278 D A -1.1991
279 L A -0.5730
280 L A 0.0000
281 Y A -0.6185
282 Q A -0.1155
283 E A 0.0000
284 L A 0.0000
285 H A -0.9041
286 V A -0.8573
287 D A -1.8292
288 S A -0.6969
289 V A -0.3925
290 G A -0.3500
291 A A 0.3216
292 A A 0.3339
293 A A 0.8919
294 L A 1.7527
295 L A 0.8850
296 G A 0.0000
297 L A 0.0000
298 G A -0.3027
299 P A -0.3656
300 H A 0.0000
301 A A 0.0000
302 Y A 0.1960
303 C A 0.0000
304 R A 0.0000
305 N A 0.0000
306 P A -0.4150
307 D A -1.6478
308 N A -2.1619
309 D A 0.0000
310 E A -2.6957
311 R A -2.0433
312 P A 0.0000
313 W A 0.0000
314 C A 0.0000
315 Y A 0.0000
316 V A 0.0000
317 V A -0.2306
318 K A -1.3834
319 D A -2.1183
320 S A -1.1547
321 A A 0.0000
322 L A 0.0000
323 S A 0.0000
324 W A 0.0000
325 E A -0.4868
326 Y A 0.0000
327 C A 0.0000
328 R A -2.2276
329 L A -2.0009
330 E A -2.5034
331 A A -1.2289
332 C A -0.8550
333 E A -1.7044
334 S A -0.3554
335 L A 0.7348
336 T A -0.1612
337 R A -1.1033
338 V A 0.7437
339 Q A -0.5117
340 L A 0.7852
341 S A 0.1756
342 P A -0.2473
343 D A -0.6570
344 L A 1.6972
345 L A 1.9250
346 A A 0.8404
347 T A 0.9417
348 L A 1.5316
349 P A -0.2727
350 E A -1.4812
351 P A -1.0267
352 A A -0.8554
353 S A -1.1855
354 P A -1.2543
355 G A -1.8216
356 R A -2.6201
357 Q A -2.1440
358 A A -1.2225
359 C A -0.7771
360 G A 0.0000
361 R A -1.7300
362 R A -1.2273
363 H A 0.0000
364 K A -1.4351
365 K A 0.0000
366 R A -0.0958
367 T A 0.3933
368 F A 1.1967
369 L A 0.3597
370 R A -1.0851
371 P A -1.0566
372 R A -1.3388
373 I A 0.0000
374 I A -0.4907
375 G A -0.8060
376 G A -0.9484
377 S A -0.7645
378 S A 0.0000
379 S A 0.0000
380 L A 0.0000
381 P A -0.0741
382 G A -0.3754
383 S A -0.6010
384 H A 0.0000
385 P A 0.0000
386 W A 0.0000
387 L A 0.0000
388 A A 0.0000
389 A A 0.0000
390 I A 0.0000
391 Y A -0.6093
392 I A 0.0000
393 G A -1.6155
394 D A -2.0374
395 S A -1.0710
396 F A 0.0000
397 C A 0.0000
398 A A 0.0000
399 G A 0.0000
400 S A 0.0000
401 L A 0.0000
402 V A 0.0000
403 H A -0.6203
404 T A -0.9831
405 C A -1.2187
406 W A 0.0000
407 V A 0.0000
408 V A 0.0000
409 S A 0.0000
410 A A 0.0000
411 A A 0.0000
412 H A -0.3643
413 C A 0.0000
414 F A 0.0000
415 S A -0.1456
416 H A -1.0062
417 S A -1.0377
418 P A 0.0000
419 P A -2.0586
420 R A -3.2635
421 D A -3.1114
422 S A -2.0204
423 V A 0.0000
424 S A -1.0041
425 V A 0.0000
426 V A 0.0000
427 L A 0.0000
428 G A -0.4213
429 Q A 0.0000
430 H A 0.0000
431 F A 0.0000
432 F A -0.6851
433 N A -1.6727
434 R A -1.7663
435 T A -1.2268
436 T A -1.2732
437 D A -1.5763
438 V A -0.4296
439 T A -0.5671
440 Q A -0.3719
441 T A -0.5656
442 F A 0.0000
443 G A -2.3426
444 I A 0.0000
445 E A -2.8655
446 K A -2.1722
447 Y A -0.6722
448 I A 0.1018
449 P A 0.4149
450 Y A 0.7064
451 T A 0.8207
452 L A 1.3730
453 Y A 1.0284
454 S A 1.2177
455 V A 1.8643
456 F A 2.0180
457 N A 0.1209
458 P A 0.1823
459 S A -0.5189
460 D A -0.5483
461 H A -0.3174
462 D A 0.0000
463 L A 0.0000
464 V A 0.0000
465 L A 0.0000
466 I A 0.0000
467 R A -1.7670
468 L A 0.0000
469 K A -4.0280
470 K A -4.7424
471 K A -4.1905
472 G A -3.3942
473 D A -3.9650
474 R A -4.1313
475 C A 0.0000
476 A A 0.0000
477 T A -1.1677
478 R A -1.6349
479 S A -0.9302
480 Q A -0.9186
481 F A 0.0000
482 V A 0.0000
483 Q A -1.0634
484 P A 0.0000
485 I A 0.0000
486 C A 0.0000
487 L A -0.4411
488 P A 0.0000
489 E A -2.3208
490 P A -1.8946
491 G A -1.3067
492 S A -1.0895
493 T A -0.5674
494 F A 0.0000
495 P A -0.5592
496 A A -0.7355
497 G A -0.9121
498 H A -1.1369
499 K A -1.5033
500 C A 0.0000
501 Q A 0.0000
502 I A 0.0000
503 A A 0.0000
504 G A 0.0000
505 W A 0.0000
506 G A 0.0000
507 H A -0.5176
508 L A -0.3596
509 D A -1.3752
510 E A -1.8172
511 N A -1.3747
512 V A 0.0846
513 S A -0.3004
514 G A -0.1164
515 Y A 0.1597
516 S A 0.0000
517 S A -0.3424
518 S A 0.0000
519 L A 0.0000
520 R A -0.3815
521 E A 0.0000
522 A A 0.0000
523 L A -0.5700
524 V A 0.0000
525 P A -0.7166
526 L A 0.0000
527 V A -0.8538
528 A A -1.4307
529 D A -2.3854
530 H A -2.2720
531 K A -2.3080
532 C A 0.0000
533 S A -1.8449
534 S A -1.8220
535 P A -1.6403
536 E A -2.3172
537 V A 0.0000
538 Y A 0.0000
539 G A -1.3666
540 A A -0.8502
541 D A -1.8002
542 I A -1.1767
543 S A -0.8781
544 P A -0.7527
545 N A -0.6613
546 M A 0.0000
547 L A 0.0000
548 C A 0.0000
549 A A 0.0000
550 G A 0.0000
551 Y A -0.4716
552 F A -0.7042
553 D A -1.6464
554 C A -0.9030
555 K A -1.2258
556 S A 0.0000
557 D A 0.0000
558 A A -0.3066
559 C A 0.0000
560 Q A -1.4649
561 G A -0.5979
562 D A 0.0000
563 S A -0.3552
564 G A 0.0000
565 G A 0.0000
566 P A 0.0000
567 L A 0.0000
568 A A 0.0000
569 C A 0.0000
570 E A -1.7974
571 K A -2.3707
572 N A -2.2567
573 G A -1.9330
574 V A -1.5125
575 A A 0.0000
576 Y A -0.4951
577 L A 0.0000
578 Y A 0.0000
579 G A 0.0000
580 I A 0.0000
581 I A 0.0000
582 S A 0.0000
583 W A -0.3745
584 G A -1.0513
585 D A -1.3975
586 G A -1.4797
587 C A 0.0000
588 G A -1.2987
589 R A -1.8515
590 L A -0.2954
591 H A -1.2500
592 K A -1.4316
593 P A 0.0000
594 G A 0.0000
595 V A 0.0000
596 Y A 0.0000
597 T A 0.0000
598 R A -0.6479
599 V A 0.0000
600 A A 0.0000
601 N A -1.5664
602 Y A 0.0000
603 V A 0.0000
604 D A -2.7808
605 W A -1.6241
606 I A 0.0000
607 N A -2.4156
608 D A -3.2272
609 R A -2.3669
610 I A -1.8111
611 R A -3.0596
612 P A -2.3462
613 P A -2.3044
614 R A -2.5119
615 R A -1.5515
616 L A 0.9216
617 V A 1.6351
618 A A 0.9400
619 P A 0.3612
620 S A -0.0521
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Laboratory of Theory of Biopolymers 2018