Project name: PLGL

Status: done

Started: 2026-06-13 17:58:27
Settings
Chain sequence(s) A: QPGGNRTESPEPNATATPAIPTILVTSVTSETPATSAPEAEGPQSGGLPPPPRAVPSSSSPQAQALTEDGRPCRFPFRYGGRMLHACTSEGSAHRKWCATTHNYDRDRAWGYCVEATPPPGGPAALDPCASGPCLNGGSCSNTQDPQSYHCSCPRAFTGKDCGTEKCFDETRYEYLEGGDRWARVRQGHVEQCECFGGRTWCEGTRHTACLSSPCLNGGTCHLIVATGTTVCACPPGFAGRLCNIEPDERCFLGNGTGYRGVASTSASGLSCLAWNSDLLYQELHVDSVGAAALLGLGPHAYCRNPDNDERPWCYVVKDSALSWEYCRLEACESLTRVQLSPDLLATLPEPASPGRQACGRRHKKRTFLPLGLIGGSSSLPGSHPWLAAIYIGDSFCAGSLVHTCWVVSAAHCFSHSPPRDSVSVVLGQHFFNRTTDVTQTFGIEKYIPYTLYSVFNPSDHDLVLIRLKKKGDRCATRSQFVQPICLPEPGSTFPAGHKCQIAGWGHLDENVSGYSSSLREALVPLVADHKCSSPEVYGADISPNMLCAGYFDCKSDACQGDSGGPLACEKNGVAYLYGIISWGDGCGRLHKPGVYTRVANYVDWINDRIRPPRRLVAPS
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                                          (00:05:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:18)
Show buried residues

Minimal score value
-4.3897
Maximal score value
3.0182
Average score
-0.6683
Total score value
-414.3345

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 -1.4845
2 P A -1.3183
3 G A -1.6299
4 G A -2.0095
5 N A -2.7740
6 R A -3.2327
7 T A -2.3828
8 E A -3.0484
9 S A -2.0849
10 P A -2.0341
11 E A -2.9014
12 P A -1.7784
13 N A -1.8903
14 A A -1.2093
15 T A -0.4298
16 A A -0.2053
17 T A 0.0779
18 P A 0.1821
19 A A 0.8295
20 I A 1.9942
21 P A 1.3520
22 T A 1.6656
23 I A 2.7729
24 L A 2.8955
25 V A 3.0182
26 T A 1.9054
27 S A 0.7582
28 V A 1.3449
29 T A 0.1470
30 S A -0.7163
31 E A -1.8248
32 T A -1.1325
33 P A -0.7331
34 A A -0.3681
35 T A -0.2014
36 S A -0.2602
37 A A -0.6334
38 P A -1.1261
39 E A -2.3147
40 A A -1.8473
41 E A -2.4908
42 G A -1.7844
43 P A -1.5477
44 Q A -1.6866
45 S A -1.1972
46 G A -0.6976
47 G A -0.2071
48 L A 1.0120
49 P A 0.1686
50 P A -0.5412
51 P A -0.8119
52 P A -1.1366
53 R A -1.5951
54 A A -0.1808
55 V A 1.0700
56 P A 0.1610
57 S A -0.0517
58 S A -0.3583
59 S A -0.7635
60 S A -0.8544
61 P A -1.3232
62 Q A -1.8362
63 A A -1.0636
64 Q A -1.5164
65 A A -0.7759
66 L A -0.7706
67 T A 0.0000
68 E A -2.4577
69 D A -2.8015
70 G A -1.9271
71 R A -2.2203
72 P A -1.5191
73 C A 0.0000
74 R A -1.4056
75 F A -0.5132
76 P A -0.2995
77 F A 0.0000
78 R A 0.0000
79 Y A -0.3936
80 G A -0.3687
81 G A 0.0000
82 R A -0.5824
83 M A 0.0000
84 L A -0.2885
85 H A -0.7541
86 A A -0.8551
87 C A -0.9257
88 T A 0.0000
89 S A -1.8087
90 E A -1.5099
91 G A -1.5153
92 S A -1.6752
93 A A -1.2321
94 H A -2.0216
95 R A -2.5779
96 K A -2.5179
97 W A 0.0000
98 C A 0.0000
99 A A 0.0000
100 T A -0.9374
101 T A -1.0937
102 H A -0.9098
103 N A 0.0000
104 Y A -1.2677
105 D A -1.1853
106 R A -1.4484
107 D A -1.8865
108 R A -2.4847
109 A A -1.1967
110 W A -0.7128
111 G A -0.9720
112 Y A -1.1678
113 C A 0.0000
114 V A -0.1540
115 E A -1.5501
116 A A -0.5012
117 T A -0.5666
118 P A -0.9428
119 P A -0.7019
120 P A -0.7836
121 G A -0.9607
122 G A -0.9179
123 P A -0.3086
124 A A 0.0270
125 A A 0.0633
126 L A 0.7239
127 D A -0.9959
128 P A -0.9346
129 C A -0.7256
130 A A -0.3992
131 S A -0.3805
132 G A -0.5278
133 P A -0.2985
134 C A -0.4644
135 L A 0.0215
136 N A -1.0935
137 G A -0.6961
138 G A -0.7004
139 S A -0.4370
140 C A -0.4169
141 S A -1.0979
142 N A -2.1119
143 T A -1.6402
144 Q A -1.9004
145 D A -1.6833
146 P A -1.5568
147 Q A -1.7578
148 S A -1.4934
149 Y A -1.4184
150 H A -0.9145
151 C A 0.0000
152 S A -0.7076
153 C A -0.9481
154 P A -1.2514
155 R A -1.8231
156 A A -1.3390
157 F A -1.7752
158 T A -1.7402
159 G A -1.6944
160 K A -2.1184
161 D A -1.3492
162 C A 0.0000
163 G A -1.3214
164 T A -1.8732
165 E A -2.7106
166 K A -1.9159
167 C A 0.0000
168 F A -0.1590
169 D A 0.0000
170 E A -1.3497
171 T A -0.7902
172 R A 0.0000
173 Y A -0.2181
174 E A -0.2501
175 Y A -0.4124
176 L A 0.0000
177 E A -2.3452
178 G A -2.0298
179 G A -1.6382
180 D A -2.4004
181 R A -2.3322
182 W A -1.3206
183 A A 0.0000
184 R A -0.9169
185 V A -1.1717
186 R A -2.0903
187 Q A -2.0940
188 G A -1.7719
189 H A -2.4561
190 V A 0.0000
191 E A -1.7163
192 Q A -1.5142
193 C A 0.0000
194 E A -1.7001
195 C A 0.0000
196 F A 0.0684
197 G A -0.9841
198 G A -1.5399
199 R A -1.5753
200 T A -0.3273
201 W A 0.3344
202 C A -0.9042
203 E A -1.9767
204 G A -2.0837
205 T A -1.6395
206 R A -1.8198
207 H A -1.0222
208 T A -0.0196
209 A A 0.4963
210 C A 0.6476
211 L A 1.4721
212 S A 0.4356
213 S A 0.0358
214 P A 0.0477
215 C A -0.3896
216 L A -0.1958
217 N A -1.1303
218 G A -0.8921
219 G A -0.4608
220 T A -0.2718
221 C A 0.0000
222 H A -0.0159
223 L A 0.3738
224 I A 0.0000
225 V A 0.9768
226 A A 0.3466
227 T A 0.0350
228 G A 0.0535
229 T A 0.0488
230 T A -0.0467
231 V A 0.0000
232 C A 0.0000
233 A A -0.5257
234 C A -0.3072
235 P A -0.3833
236 P A -0.3761
237 G A -1.0397
238 F A -0.4084
239 A A 0.0000
240 G A 0.0000
241 R A -0.5847
242 L A -0.0279
243 C A 0.0000
244 N A 0.0000
245 I A 0.0000
246 E A -1.4123
247 P A -1.6674
248 D A -2.6966
249 E A -2.4042
250 R A -2.7125
251 C A -1.4430
252 F A 0.0000
253 L A 0.6974
254 G A -0.5228
255 N A -1.4504
256 G A 0.0000
257 T A -1.0548
258 G A -0.2416
259 Y A 0.0000
260 R A -0.8882
261 G A 0.0000
262 V A -0.4718
263 A A -0.6210
264 S A 0.0000
265 T A -0.6166
266 S A 0.0000
267 A A -0.9421
268 S A -0.7392
269 G A -0.8238
270 L A -0.2391
271 S A -0.3383
272 C A 0.0000
273 L A 0.1698
274 A A -0.3534
275 W A 0.0000
276 N A -0.6630
277 S A -0.5587
278 D A -0.8168
279 L A 0.0000
280 L A 0.0000
281 Y A -0.0493
282 Q A -0.1013
283 E A 0.0000
284 L A 0.0072
285 H A -0.7678
286 V A -0.4431
287 D A -1.5444
288 S A 0.1090
289 V A 1.7676
290 G A 0.7519
291 A A 0.6837
292 A A 0.7407
293 A A 0.0000
294 L A 1.9445
295 L A 1.1815
296 G A 0.0000
297 L A 0.0000
298 G A 0.1931
299 P A -0.1309
300 H A 0.0000
301 A A -0.2900
302 Y A 0.0000
303 C A 0.0000
304 R A 0.0000
305 N A 0.0000
306 P A -0.6520
307 D A -2.1946
308 N A -2.5119
309 D A -2.5269
310 E A -2.8341
311 R A -2.0589
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 -0.1273
318 K A -1.2156
319 D A -2.0316
320 S A -1.1219
321 A A 0.0000
322 L A 0.0000
323 S A 0.0000
324 W A 0.0000
325 E A -0.4047
326 Y A -0.7550
327 C A 0.0000
328 R A -2.1090
329 L A 0.0000
330 E A -1.6822
331 A A -0.8425
332 C A -0.8960
333 E A -1.4970
334 S A -1.1584
335 L A -0.4512
336 T A -0.7109
337 R A -1.2268
338 V A 0.6148
339 Q A -0.2298
340 L A 0.6869
341 S A -0.0827
342 P A -0.2834
343 D A -0.5996
344 L A 1.5338
345 L A 2.0240
346 A A 1.2615
347 T A 1.0458
348 L A 1.1393
349 P A -0.4665
350 E A -1.6657
351 P A -1.0323
352 A A -0.8049
353 S A -1.0421
354 P A -1.1921
355 G A -1.8369
356 R A -2.7120
357 Q A -2.4044
358 A A -1.3925
359 C A -0.9959
360 G A 0.0000
361 R A -2.2725
362 R A -1.7193
363 H A -1.9239
364 K A -2.2999
365 K A 0.0000
366 R A -0.5762
367 T A -0.1780
368 F A 0.7100
369 L A 1.1003
370 P A 0.9387
371 L A 1.8544
372 G A 0.8868
373 L A 1.3923
374 I A 1.6242
375 G A 0.4585
376 G A 0.3049
377 S A -0.0196
378 S A 0.0000
379 S A 0.0000
380 L A 0.0000
381 P A -0.1951
382 G A -0.5438
383 S A -0.8621
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 -0.6168
392 I A 0.0000
393 G A -1.6135
394 D A -2.0415
395 S A -1.0790
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 -0.5680
404 T A -0.8866
405 C A -1.0403
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 -0.3818
413 C A 0.0000
414 F A 0.0000
415 S A -0.1761
416 H A -1.0195
417 S A -1.0425
418 P A 0.0000
419 P A -2.0583
420 R A -3.2634
421 D A -3.1172
422 S A -2.0231
423 V A 0.0000
424 S A -0.9743
425 V A 0.0000
426 V A 0.0000
427 L A 0.0000
428 G A -0.4558
429 Q A 0.0000
430 H A -0.4597
431 F A 0.0000
432 F A -0.6469
433 N A -1.5642
434 R A -1.5148
435 T A -1.1168
436 T A -1.2629
437 D A -1.6103
438 V A -0.5248
439 T A -0.5800
440 Q A -0.3930
441 T A -0.5243
442 F A 0.0000
443 G A -2.1977
444 I A 0.0000
445 E A -2.5887
446 K A -2.0550
447 Y A -0.6440
448 I A 0.1232
449 P A 0.4212
450 Y A 0.7093
451 T A 0.8222
452 L A 1.3727
453 Y A 1.0093
454 S A 1.1862
455 V A 1.8065
456 F A 1.9880
457 N A 0.1010
458 P A 0.1551
459 S A -0.5157
460 D A -0.5435
461 H A -0.3228
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 -1.5560
468 L A 0.0000
469 K A -3.4365
470 K A -4.3897
471 K A -4.0344
472 G A -3.3112
473 D A -3.8877
474 R A -4.0248
475 C A 0.0000
476 A A 0.0000
477 T A -1.0501
478 R A -1.4102
479 S A -0.8684
480 Q A -1.0579
481 F A 0.0000
482 V A 0.0000
483 Q A -1.1092
484 P A 0.0000
485 I A 0.0000
486 C A 0.0000
487 L A -0.4212
488 P A 0.0000
489 E A -2.3228
490 P A -1.9149
491 G A -1.3204
492 S A -1.0496
493 T A -0.4688
494 F A -0.4745
495 P A -0.4896
496 A A -0.7845
497 G A -0.9395
498 H A -1.1153
499 K A -1.4826
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 -0.4144
508 L A 0.2961
509 D A -1.5381
510 E A -2.7760
511 N A -1.9758
512 V A -0.6741
513 S A -0.5861
514 G A -0.2640
515 Y A 0.2520
516 S A 0.2914
517 S A -0.3263
518 S A 0.0000
519 L A 0.0000
520 R A -0.5647
521 E A 0.0000
522 A A 0.0000
523 L A -0.0275
524 V A 0.0000
525 P A -0.7314
526 L A 0.0000
527 V A 0.0000
528 A A -1.6180
529 D A -2.6176
530 H A -2.3944
531 K A -2.4292
532 C A 0.0000
533 S A -1.9060
534 S A -1.8448
535 P A -1.6401
536 E A -2.2985
537 V A 0.0000
538 Y A 0.0000
539 G A -1.3610
540 A A -0.8442
541 D A -1.7865
542 I A -1.1667
543 S A -0.8753
544 P A -0.7583
545 N A -0.6410
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 -0.5380
552 F A -0.8492
553 D A -1.5520
554 C A -0.7815
555 K A -0.4242
556 S A 0.0000
557 D A -0.4365
558 A A -0.5012
559 C A -1.0241
560 Q A -1.3934
561 G A -0.4954
562 D A -0.5913
563 S A -0.3947
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 -1.7935
571 K A -2.4620
572 N A -2.3030
573 G A -2.0660
574 V A -1.5949
575 A A 0.0000
576 Y A -0.4734
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 -0.4507
584 G A -1.2628
585 D A -1.8189
586 G A -2.1246
587 C A -1.7362
588 G A -1.6163
589 R A -2.3415
590 L A -0.7287
591 H A -1.4109
592 K A -1.6233
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 -0.6491
599 V A 0.0000
600 A A 0.0000
601 N A -1.5749
602 Y A 0.0000
603 V A 0.0000
604 D A -2.7826
605 W A -1.6105
606 I A 0.0000
607 N A -2.4199
608 D A -3.2200
609 R A -2.3509
610 I A -1.7921
611 R A -3.0548
612 P A -2.3244
613 P A -2.2559
614 R A -2.5187
615 R A -1.5589
616 L A 0.9331
617 V A 1.6481
618 A A 0.9340
619 P A 0.3570
620 S A -0.0574
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Laboratory of Theory of Biopolymers 2018