Project name: PLGL [mutate: LR371A]

Status: done

Started: 2026-06-13 18:24:55
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
Mutated residues LR371A
Energy difference between WT (input) and mutated protein (by FoldX) 0.528775 kcal/mol
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]       FoldX:    Building mutant model                                                       (00:02:51)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:03:10)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:46)
Show buried residues

Minimal score value
-4.0942
Maximal score value
3.0042
Average score
-0.6673
Total score value
-413.7562

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 -2.3821
8 E A -3.0472
9 S A -2.0825
10 P A -2.0303
11 E A -2.8997
12 P A -1.7779
13 N A -1.8899
14 A A -1.2095
15 T A -0.4298
16 A A -0.2053
17 T A 0.0779
18 P A 0.1821
19 A A 0.8269
20 I A 1.9850
21 P A 1.3318
22 T A 1.6135
23 I A 2.7832
24 L A 2.9055
25 V A 3.0042
26 T A 1.8985
27 S A 0.7596
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 -1.3336
62 Q A -1.8464
63 A A -1.0562
64 Q A -1.4790
65 A A -0.7388
66 L A -0.7079
67 T A 0.0000
68 E A -2.4260
69 D A -2.7499
70 G A -1.8394
71 R A -2.0405
72 P A -1.4187
73 C A 0.0000
74 R A -1.3660
75 F A -0.5271
76 P A -0.3293
77 F A 0.0000
78 R A 0.0000
79 Y A -0.4334
80 G A -0.4157
81 G A -0.3355
82 R A -0.6243
83 M A 0.0000
84 L A 0.0000
85 H A -0.7857
86 A A 0.0000
87 C A -0.7297
88 T A 0.0000
89 S A -1.5282
90 E A -1.3953
91 G A -1.4436
92 S A -1.5536
93 A A -1.1588
94 H A -1.9167
95 R A -2.3134
96 K A -1.8222
97 W A 0.0000
98 C A 0.0000
99 A A 0.0000
100 T A -0.8956
101 T A -1.0817
102 H A -0.9147
103 N A 0.0000
104 Y A -1.2523
105 D A -1.1957
106 R A -1.4606
107 D A -1.8894
108 R A -2.4802
109 A A -1.1995
110 W A -0.6949
111 G A -0.8443
112 Y A -0.9624
113 C A 0.0000
114 V A -0.0527
115 E A -1.4382
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 0.0207
125 A A 0.0499
126 L A 0.6985
127 D A -1.0357
128 P A -0.9569
129 C A -0.7191
130 A A -0.4064
131 S A -0.3869
132 G A -0.5268
133 P A -0.3041
134 C A -0.4792
135 L A 0.0015
136 N A -1.0512
137 G A -0.7050
138 G A -0.7000
139 S A -0.4300
140 C A -0.3805
141 S A -1.0605
142 N A -2.0637
143 T A -1.6611
144 Q A -1.9640
145 D A -1.8042
146 P A -1.6218
147 Q A -1.8055
148 S A -1.5341
149 Y A -1.4243
150 H A -0.9066
151 C A 0.0000
152 S A -0.7175
153 C A -0.9620
154 P A -1.2008
155 R A -1.7784
156 A A -1.2200
157 F A -1.5756
158 T A -1.6515
159 G A -1.6929
160 K A -2.2415
161 D A -1.3975
162 C A 0.0000
163 G A -1.2225
164 T A -1.6205
165 E A -2.1698
166 K A -1.6763
167 C A 0.0000
168 F A -0.3052
169 D A 0.0000
170 E A -1.6328
171 T A -0.9319
172 R A 0.0000
173 Y A -0.3369
174 E A -0.3397
175 Y A -0.4424
176 L A 0.0000
177 E A -2.3201
178 G A -1.9592
179 G A -1.6600
180 D A -2.4427
181 R A -2.3853
182 W A -1.2671
183 A A 0.0000
184 R A 0.0000
185 V A -1.1444
186 R A -2.2927
187 Q A -2.2243
188 G A -1.8104
189 H A -2.4581
190 V A 0.0000
191 E A 0.0000
192 Q A -1.3947
193 C A 0.0000
194 E A -1.8206
195 C A 0.0000
196 F A 0.1256
197 G A -0.8109
198 G A 0.0000
199 R A -1.4925
200 T A -0.3847
201 W A 0.2820
202 C A -0.8914
203 E A -1.9802
204 G A -1.9908
205 T A -1.5777
206 R A -1.7747
207 H A -0.9699
208 T A 0.0104
209 A A 0.5245
210 C A 0.6801
211 L A 1.4864
212 S A 0.4364
213 S A 0.0476
214 P A 0.0523
215 C A -0.3936
216 L A -0.2143
217 N A -1.1616
218 G A -0.9125
219 G A -0.4721
220 T A -0.2750
221 C A 0.0000
222 H A 0.0536
223 L A 0.4707
224 I A 0.0000
225 V A 1.0001
226 A A 0.3586
227 T A 0.0511
228 G A 0.0802
229 T A 0.0777
230 T A 0.0167
231 V A 0.0000
232 C A 0.0000
233 A A -0.5365
234 C A -0.3051
235 P A -0.3627
236 P A -0.3232
237 G A -0.9337
238 F A -0.3667
239 A A 0.0000
240 G A 0.0000
241 R A -0.5403
242 L A -0.0244
243 C A 0.0000
244 N A 0.0000
245 I A 0.0000
246 E A -1.3814
247 P A -1.6653
248 D A -2.6700
249 E A -2.3853
250 R A -2.7145
251 C A -1.4541
252 F A 0.0000
253 L A 0.6923
254 G A -0.5252
255 N A -1.4560
256 G A 0.0000
257 T A -1.0596
258 G A -0.2439
259 Y A 0.0000
260 R A -0.8945
261 G A 0.0000
262 V A -0.4671
263 A A -0.6190
264 S A 0.0000
265 T A -0.5830
266 S A 0.0000
267 A A -0.8967
268 S A -0.6876
269 G A -0.7863
270 L A -0.1551
271 S A -0.3057
272 C A 0.0000
273 L A 0.2326
274 A A -0.2364
275 W A 0.0000
276 N A -0.3785
277 S A -0.4733
278 D A -0.8559
279 L A 0.0000
280 L A 0.0000
281 Y A -0.3449
282 Q A -0.2460
283 E A 0.0000
284 L A 0.0034
285 H A -0.7469
286 V A -0.4419
287 D A -1.5460
288 S A 0.0934
289 V A 1.7465
290 G A 0.7482
291 A A 0.6696
292 A A 0.0000
293 A A 0.0000
294 L A 1.9416
295 L A 1.1706
296 G A 0.0000
297 L A 0.0000
298 G A 0.2848
299 P A -0.0072
300 H A 0.0000
301 A A -0.2370
302 Y A 0.0000
303 C A 0.0000
304 R A 0.0000
305 N A 0.0000
306 P A -0.6581
307 D A -2.2021
308 N A -2.5167
309 D A -2.5340
310 E A -2.8426
311 R A -2.0780
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 -0.0427
318 K A -1.0793
319 D A -1.9774
320 S A -1.1140
321 A A 0.0000
322 L A 0.0000
323 S A 0.0000
324 W A 0.0000
325 E A 0.0000
326 Y A -0.6758
327 C A 0.0000
328 R A -2.0904
329 L A 0.0000
330 E A -1.7135
331 A A -0.8610
332 C A -0.9080
333 E A -1.5066
334 S A -1.1729
335 L A -0.4737
336 T A -0.7193
337 R A -1.2322
338 V A 0.6098
339 Q A -0.2326
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 -1.8366
356 R A -2.7116
357 Q A -2.4192
358 A A -1.4095
359 C A -1.0283
360 G A 0.0000
361 R A -2.3845
362 R A -1.7822
363 H A -1.9574
364 K A -2.3083
365 K A 0.0000
366 R A -0.5969
367 T A -0.1569
368 F A 0.1962
369 L A -0.0721
370 P A -0.7937
371 R A -1.6089 mutated: LR371A
372 G A -0.8446
373 L A 0.2977
374 I A 1.1577
375 G A 0.4354
376 G A 0.2429
377 S A -0.0755
378 S A 0.0000
379 S A 0.0000
380 L A 0.0000
381 P A -0.1809
382 G A -0.5627
383 S A -0.8787
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 -0.6051
392 I A 0.0000
393 G A -1.6053
394 D A -2.0314
395 S A -1.0582
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 -0.5274
404 T A -0.8268
405 C A -0.9331
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 -0.3828
413 C A 0.0000
414 F A 0.0000
415 S A -0.1805
416 H A -1.0213
417 S A -1.0437
418 P A 0.0000
419 P A -2.0584
420 R A -3.2912
421 D A -3.1319
422 S A -2.0186
423 V A 0.0000
424 S A -0.9652
425 V A 0.0000
426 V A 0.0000
427 L A 0.0000
428 G A -0.4905
429 Q A 0.0000
430 H A -0.4543
431 F A 0.0000
432 F A -0.6137
433 N A -1.5106
434 R A -1.4011
435 T A -1.0799
436 T A -1.2712
437 D A -1.6627
438 V A -0.6372
439 T A -0.6167
440 Q A -0.4137
441 T A -0.5242
442 F A 0.0000
443 G A -2.1453
444 I A 0.0000
445 E A -2.6107
446 K A -2.0210
447 Y A -0.5722
448 I A 0.1931
449 P A 0.4239
450 Y A 0.7009
451 T A 0.8187
452 L A 1.3711
453 Y A 1.0079
454 S A 1.1840
455 V A 1.8060
456 F A 1.9887
457 N A 0.1057
458 P A 0.1593
459 S A -0.5019
460 D A -0.5177
461 H A -0.3427
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 -1.2409
468 L A 0.0000
469 K A -3.3322
470 K A -4.0942
471 K A -3.8973
472 G A -3.2273
473 D A -3.8116
474 R A -3.9357
475 C A 0.0000
476 A A 0.0000
477 T A -1.0658
478 R A -1.4396
479 S A -0.9044
480 Q A -1.0848
481 F A 0.0000
482 V A 0.0000
483 Q A -1.1466
484 P A 0.0000
485 I A 0.0000
486 C A 0.0000
487 L A -0.4192
488 P A 0.0000
489 E A -2.3546
490 P A -1.9831
491 G A -1.3950
492 S A -1.0845
493 T A -0.4713
494 F A -0.4617
495 P A -0.4786
496 A A -0.7723
497 G A -0.9170
498 H A -1.0807
499 K A -1.4186
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 -0.3852
508 L A 0.3175
509 D A -1.5102
510 E A -2.7313
511 N A -1.9617
512 V A -0.6588
513 S A -0.5737
514 G A -0.2541
515 Y A 0.2617
516 S A 0.2935
517 S A -0.3121
518 S A 0.0000
519 L A 0.0000
520 R A -0.5632
521 E A 0.0000
522 A A 0.0000
523 L A -0.0909
524 V A 0.0000
525 P A -0.7173
526 L A 0.0000
527 V A 0.0000
528 A A -1.6105
529 D A -2.6097
530 H A -2.3826
531 K A -2.4047
532 C A 0.0000
533 S A -1.8997
534 S A -1.8365
535 P A -1.6360
536 E A -2.2960
537 V A 0.0000
538 Y A 0.0000
539 G A -1.3517
540 A A -0.8392
541 D A -1.7778
542 I A -1.1474
543 S A -0.8578
544 P A -0.7788
545 N A -0.6751
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 -0.5802
552 F A -0.8759
553 D A -1.5715
554 C A -0.7906
555 K A -0.4722
556 S A 0.0000
557 D A -0.4490
558 A A -0.4817
559 C A -0.9606
560 Q A -1.3072
561 G A -0.4540
562 D A -0.5655
563 S A -0.3750
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 -1.7852
571 K A -2.4580
572 N A -2.3003
573 G A -2.0841
574 V A -1.6209
575 A A 0.0000
576 Y A -0.4851
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 -0.4075
584 G A -1.1743
585 D A -1.6561
586 G A -2.0185
587 C A -1.6697
588 G A -1.5923
589 R A -2.3208
590 L A -0.7529
591 H A -1.4205
592 K A -1.5944
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 -0.7415
599 V A 0.0000
600 A A 0.0000
601 N A -1.8426
602 Y A 0.0000
603 V A 0.0000
604 D A -2.8227
605 W A -1.6447
606 I A 0.0000
607 N A -2.4050
608 D A -3.2130
609 R A -2.3067
610 I A -1.7427
611 R A -3.0500
612 P A -2.3230
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