Project name: LZTR1

Status: done

Started: 2025-02-26 16:23:08
Settings
Chain sequence(s) A: MAGPGSTGGQIGAAALAGGARSKVAPSVDFDHSCSDSVEYLTLNFGPFETVHRWRRLPPCDEFVGARRSKHTVVAYKDAIYVFGGDNGKTMLNDLLRFDVKDCSWCRAFTTGTPPAPRYHHSAVVYGSSMFVFGGYTGDIYSNSNLKNKNDLFEYKFATGQWTEWKIEGRLPVARSAHGATVYSDKLWIFAGYDGNARLNDMWTIGLQDRELTCWEEVAQSGEIPPSCCNFPVAVCRDKMFVFSGQSGAKITNNLFQFEFKDKTWTRIPTEHLLRGSPPPPQRRYGHTMVAFDRHLYVFGGAADNTLPNELHCYDVDFQTWEVVQPSSDSEVGGAEVPERACASEEVPTLTYEERVGFKKSRDVFGLDFGTTSAKQPTQPASELPSGRLFHAAAVISDAMYIFGGTVDNNIRSGEMYRFQFSCYPKCTLHEDYGRLWESRQFCDVEFVLGEKEECVQGHVAIVTARSRWLRRKITQARERLAQKLEQEAAPVPREAPGVAAGGARPPLLHVAIREAEARPFEVLMQFLYTDKIKYPRKGHVEDVLLIMDVYKLALSFQLCRLEQLCRQYIEASVDLQNVLVVCESAARLQLSQLKEHCLNFVVKESHFNQVIMMKEFERLSSPLIVEIVRRKQQPPPRTPLDQPVDIGTSLIQDMKAYLEGAGAEFCDITLLLDGHPRPAHKAILAARSSYFEAMFRSFMPEDGQVNISIGEMVPSRQAFESMLRYIYYGEVNMPPEDSLYLFAAPYYYGFYNNRLQAYCKQNLEMNVTVQNVLQILEAADKTQALDMKRHCLHIIVHQFTKVSKLPTLRSLSQQLLLDIIDSLASHISDKQCAELGADI
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                                          (00:10:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:30)
Show buried residues

Minimal score value
-4.2562
Maximal score value
2.0347
Average score
-0.7548
Total score value
-634.0352

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 M A 0.9750
2 A A 0.2450
3 G A -0.4174
4 P A -0.7606
5 G A -0.8524
6 S A -0.7109
7 T A -0.7920
8 G A -0.8787
9 G A -0.9366
10 Q A -0.6857
11 I A 1.0643
12 G A 0.1953
13 A A 0.5032
14 A A 0.6328
15 A A 0.7559
16 L A 1.4074
17 A A 0.4755
18 G A -0.4177
19 G A -0.9400
20 A A -1.4718
21 R A -2.3161
22 S A -1.4603
23 K A -1.4570
24 V A 0.5362
25 A A 0.2497
26 P A 0.1411
27 S A 0.5397
28 V A 1.0182
29 D A -0.7067
30 F A 0.3925
31 D A -1.5592
32 H A -1.4591
33 S A -0.9063
34 C A -0.1011
35 S A -0.5149
36 D A -1.2978
37 S A -0.2340
38 V A 0.8763
39 E A -0.7872
40 Y A -0.1840
41 L A 0.1349
42 T A 0.2942
43 L A 0.4881
44 N A 0.4231
45 F A 1.6299
46 G A 0.3617
47 P A 0.2489
48 F A 0.5873
49 E A -1.4141
50 T A -0.8575
51 V A -0.6980
52 H A -1.3531
53 R A -2.2225
54 W A 0.0000
55 R A -2.4020
56 R A -1.4142
57 L A 0.0000
58 P A -0.7061
59 P A -1.4459
60 C A 0.0000
61 D A -2.7156
62 E A -2.1350
63 F A -0.8144
64 V A 0.8254
65 G A -0.5047
66 A A 0.0000
67 R A -1.7061
68 R A 0.0000
69 S A 0.0000
70 K A -0.1828
71 H A 0.0000
72 T A 0.0784
73 V A 0.1633
74 V A 0.0000
75 A A -0.3403
76 Y A -0.8890
77 K A -2.2584
78 D A -2.6138
79 A A 0.0000
80 I A 0.0000
81 Y A 0.0000
82 V A 0.0000
83 F A 0.0000
84 G A 0.0000
85 G A 0.0000
86 D A 0.0000
87 N A -0.9264
88 G A -1.1032
89 K A -1.7145
90 T A -0.9316
91 M A 0.0000
92 L A -0.3828
93 N A -0.5530
94 D A -0.3385
95 L A 0.0000
96 L A 0.0000
97 R A -0.9174
98 F A 0.0000
99 D A -2.1495
100 V A -1.9850
101 K A -2.8344
102 D A -2.7409
103 C A -1.2390
104 S A -0.9949
105 W A -1.1657
106 C A -0.8068
107 R A -1.3593
108 A A 0.0000
109 F A 1.3085
110 T A 0.2362
111 T A -0.1901
112 G A -0.9389
113 T A -0.7569
114 P A -0.7506
115 P A 0.0000
116 A A -0.2193
117 P A -0.4086
118 R A 0.0000
119 Y A -0.0285
120 H A -0.0648
121 H A 0.0000
122 S A 0.0000
123 A A 0.2427
124 V A 0.5714
125 V A 0.5507
126 Y A -0.2012
127 G A -0.7124
128 S A -0.5737
129 S A 0.0000
130 M A 0.0000
131 F A 0.0000
132 V A 0.0000
133 F A 0.0000
134 G A 0.0000
135 G A 0.0000
136 Y A -0.6915
137 T A -0.9793
138 G A -1.4177
139 D A -1.5844
140 I A -0.3440
141 Y A 0.3318
142 S A -0.7567
143 N A -1.7996
144 S A -1.6277
145 N A -2.2394
146 L A -1.8488
147 K A -2.5590
148 N A -1.2905
149 K A -1.2051
150 N A -0.6189
151 D A -1.1112
152 L A 0.0000
153 F A 0.0000
154 E A 0.0000
155 Y A 0.0000
156 K A -0.8238
157 F A 0.0000
158 A A -0.0597
159 T A -0.1087
160 G A 0.0000
161 Q A -0.6736
162 W A 0.0000
163 T A -1.4702
164 E A -2.3642
165 W A 0.0000
166 K A -2.9378
167 I A -2.2569
168 E A -2.7633
169 G A -2.2196
170 R A -2.7513
171 L A -1.4400
172 P A 0.0000
173 V A 0.3002
174 A A -0.4647
175 R A 0.0000
176 S A 0.0000
177 A A 0.0000
178 H A 0.0000
179 G A 0.0000
180 A A 0.2284
181 T A 0.3678
182 V A 0.0603
183 Y A -0.6695
184 S A -1.1421
185 D A -2.0563
186 K A -1.5939
187 L A 0.0000
188 W A 0.0000
189 I A 0.0000
190 F A 0.0000
191 A A 0.0000
192 G A 0.0000
193 Y A -0.5526
194 D A -1.1832
195 G A -1.4950
196 N A -1.6521
197 A A -1.2290
198 R A -1.4113
199 L A -0.7288
200 N A -0.8027
201 D A -0.8995
202 M A 0.0000
203 W A 0.0000
204 T A 0.0000
205 I A 0.0000
206 G A -1.6423
207 L A 0.0000
208 Q A -2.7337
209 D A -2.7060
210 R A -3.2608
211 E A -2.7553
212 L A -0.2821
213 T A -1.1637
214 C A -1.3667
215 W A 0.0000
216 E A -2.9473
217 E A -2.9621
218 V A 0.0000
219 A A -0.9885
220 Q A -1.3035
221 S A -1.2333
222 G A -1.6165
223 E A -1.8399
224 I A -0.5402
225 P A 0.0000
226 P A -0.6901
227 S A -0.7894
228 C A 0.0000
229 C A 0.0000
230 N A -0.1722
231 F A 0.0000
232 P A 0.1051
233 V A 0.3208
234 A A 0.0000
235 V A -0.2396
236 C A 0.0000
237 R A -2.7907
238 D A -2.8610
239 K A -1.9896
240 M A 0.0000
241 F A 0.0000
242 V A 0.0000
243 F A 0.0000
244 S A -0.6796
245 G A 0.0000
246 Q A -0.8844
247 S A 0.0000
248 G A -1.0820
249 A A -0.8733
250 K A -1.6099
251 I A -0.7127
252 T A -1.0030
253 N A -1.3894
254 N A -0.8814
255 L A 0.0000
256 F A 0.0000
257 Q A -0.5967
258 F A 0.0000
259 E A -2.3809
260 F A 0.0000
261 K A -3.2501
262 D A -3.2677
263 K A -2.5997
264 T A -1.9143
265 W A 0.0000
266 T A -1.1514
267 R A -1.4476
268 I A 0.0000
269 P A -1.0984
270 T A -1.3123
271 E A -1.6885
272 H A -0.6061
273 L A 1.1256
274 L A 0.8894
275 R A -1.2612
276 G A -0.8743
277 S A -0.9758
278 P A -0.9826
279 P A -1.0680
280 P A -1.1351
281 P A 0.0000
282 Q A -2.1895
283 R A -2.1130
284 R A 0.0000
285 Y A -0.1636
286 G A 0.0000
287 H A 0.0000
288 T A 0.1310
289 M A 0.0000
290 V A 0.4575
291 A A -0.1894
292 F A -0.4896
293 D A -2.0820
294 R A -1.6366
295 H A -0.9839
296 L A 0.0000
297 Y A 0.0000
298 V A 0.0000
299 F A 0.0000
300 G A 0.0000
301 G A 0.0000
302 A A -0.8621
303 A A 0.0000
304 D A -2.6514
305 N A -2.0342
306 T A -1.3793
307 L A -0.9281
308 P A -1.3485
309 N A -1.7420
310 E A -1.9483
311 L A 0.0000
312 H A 0.0000
313 C A -0.3295
314 Y A 0.0000
315 D A -0.8732
316 V A -0.8878
317 D A -0.9253
318 F A 0.7416
319 Q A -0.5132
320 T A -0.5336
321 W A 0.0000
322 E A -1.5726
323 V A -0.5227
324 V A 0.0000
325 Q A -1.5987
326 P A -1.4953
327 S A -1.6433
328 S A -1.3252
329 D A -1.4563
330 S A 0.0000
331 E A -1.6912
332 V A 0.3617
333 G A -0.7647
334 G A -0.6998
335 A A -0.5176
336 E A -1.4106
337 V A 0.0068
338 P A -1.2668
339 E A -2.5037
340 R A -2.3149
341 A A -1.0357
342 C A -0.2240
343 A A -0.5145
344 S A -1.2554
345 E A -2.4959
346 E A -2.1082
347 V A 0.5090
348 P A 0.3192
349 T A 0.8401
350 L A 1.8707
351 T A 0.9896
352 Y A 0.3343
353 E A -2.5032
354 E A -3.0565
355 R A -2.3689
356 V A 0.7002
357 G A 0.3667
358 F A 0.8855
359 K A -1.9471
360 K A -2.9864
361 S A -2.3889
362 R A -2.8175
363 D A -1.6259
364 V A 1.3988
365 F A 2.0347
366 G A 0.9326
367 L A 1.6463
368 D A -0.1293
369 F A 1.1789
370 G A 0.0645
371 T A -0.1089
372 T A -0.2745
373 S A -0.8910
374 A A -1.2481
375 K A -2.3970
376 Q A -2.3274
377 P A -1.6258
378 T A -1.4088
379 Q A -1.5788
380 P A -0.9027
381 A A -0.5565
382 S A -0.8387
383 E A -1.3331
384 L A -1.1650
385 P A 0.0000
386 S A -0.7994
387 G A -0.9255
388 R A 0.0000
389 L A 0.0000
390 F A 0.1993
391 H A 0.0000
392 A A 0.0000
393 A A 0.1433
394 A A 0.0000
395 V A 0.4895
396 I A -0.2952
397 S A -0.3527
398 D A -0.3326
399 A A 0.0000
400 M A 0.0000
401 Y A 0.0000
402 I A 0.0000
403 F A 0.0000
404 G A 0.0000
405 G A 0.0000
406 T A 0.0000
407 V A -0.7483
408 D A -2.2586
409 N A -2.1945
410 N A -1.6972
411 I A -0.1829
412 R A -0.7715
413 S A 0.0000
414 G A 0.0000
415 E A -1.1614
416 M A 0.0000
417 Y A 0.0000
418 R A -1.2456
419 F A 0.0000
420 Q A -0.8202
421 F A 0.0000
422 S A 0.0000
423 C A 0.2551
424 Y A 0.0000
425 P A -0.9422
426 K A -1.6033
427 C A -1.0468
428 T A -1.0041
429 L A 0.0000
430 H A -1.1341
431 E A -2.2356
432 D A 0.0000
433 Y A 0.0000
434 G A -2.0263
435 R A -2.7580
436 L A 0.0000
437 W A 0.0000
438 E A -2.6877
439 S A -1.8181
440 R A -1.8006
441 Q A -1.4638
442 F A -0.7274
443 C A 0.0000
444 D A -1.3011
445 V A 0.0000
446 E A -0.7498
447 F A 0.0000
448 V A -1.7091
449 L A 0.0000
450 G A 0.0000
451 E A -4.2562
452 K A -4.0185
453 E A -3.7934
454 E A -2.4886
455 C A -0.7424
456 V A 0.0000
457 Q A -0.8185
458 G A 0.0000
459 H A 0.0000
460 V A 0.0000
461 A A 0.0000
462 I A 0.0000
463 V A 0.0000
464 T A 0.0000
465 A A 0.0000
466 R A 0.0000
467 S A 0.0000
468 R A -2.6586
469 W A -1.9078
470 L A 0.0000
471 R A -2.1772
472 R A -2.9342
473 K A -2.4015
474 I A 0.0000
475 T A -2.4188
476 Q A -2.6624
477 A A -2.5848
478 R A -2.9213
479 E A -3.4321
480 R A -3.5930
481 L A -2.3916
482 A A -2.5801
483 Q A -3.6887
484 K A -3.5383
485 L A -1.7188
486 E A -3.2945
487 Q A -3.3008
488 E A -2.8347
489 A A -1.5259
490 A A -0.7904
491 P A -0.0785
492 V A 0.6921
493 P A -0.7855
494 R A -2.4971
495 E A -2.5894
496 A A -1.2784
497 P A -0.6648
498 G A 0.3297
499 V A 1.4656
500 A A 0.6046
501 A A 0.1905
502 G A -0.5763
503 G A -1.1696
504 A A -1.2808
505 R A -2.2312
506 P A -1.3761
507 P A -1.0149
508 L A -0.8753
509 L A 0.0000
510 H A -1.1528
511 V A 0.0000
512 A A -1.1952
513 I A 0.0000
514 R A -3.9081
515 E A -3.3420
516 A A 0.0000
517 E A -3.9124
518 A A -2.3038
519 R A -2.5371
520 P A 0.0000
521 F A 0.0000
522 E A -1.3401
523 V A -0.7097
524 L A 0.0000
525 M A 0.0000
526 Q A -0.7553
527 F A 0.0000
528 L A 0.0000
529 Y A 0.0000
530 T A 0.0000
531 D A 0.0000
532 K A -0.5048
533 I A 0.0000
534 K A -1.1971
535 Y A -1.0619
536 P A -1.9390
537 R A -3.1367
538 K A -2.6344
539 G A -1.9809
540 H A -1.7707
541 V A -0.8588
542 E A -1.5839
543 D A 0.0000
544 V A 0.0000
545 L A -0.0597
546 L A -0.4976
547 I A 0.0000
548 M A 0.0000
549 D A -0.9407
550 V A 0.0000
551 Y A 0.0000
552 K A -0.8501
553 L A 0.0000
554 A A 0.0000
555 L A 0.2941
556 S A -0.3988
557 F A 0.0000
558 Q A -1.1717
559 L A 0.0000
560 C A 0.1397
561 R A 0.0000
562 L A 0.0000
563 E A -0.2255
564 Q A -0.0605
565 L A 0.0000
566 C A 0.0000
567 R A -0.8508
568 Q A -0.6156
569 Y A 0.0000
570 I A 0.0000
571 E A -0.8619
572 A A -0.7364
573 S A 0.0000
574 V A 0.0000
575 D A -0.9266
576 L A -0.6847
577 Q A -1.2298
578 N A 0.0000
579 V A 0.0000
580 L A 0.0000
581 V A 0.1535
582 V A 0.0000
583 C A 0.0000
584 E A -1.1392
585 S A 0.0000
586 A A 0.0000
587 A A -1.6293
588 R A -2.3232
589 L A -1.6609
590 Q A -2.1202
591 L A 0.0000
592 S A -1.4219
593 Q A -1.8449
594 L A 0.0000
595 K A -1.6890
596 E A -1.4484
597 H A -1.1435
598 C A 0.0000
599 L A 0.0000
600 N A -0.7568
601 F A -0.6808
602 V A 0.0000
603 V A -1.4154
604 K A -2.1169
605 E A -2.7413
606 S A -1.7773
607 H A -1.5519
608 F A -1.2274
609 N A -1.7074
610 Q A -1.3650
611 V A 0.0000
612 I A 0.0585
613 M A 0.1292
614 M A -1.0976
615 K A -2.3168
616 E A -2.0173
617 F A -1.4446
618 E A -2.9855
619 R A -3.0920
620 L A 0.0000
621 S A -0.9207
622 S A -0.6174
623 P A -0.1446
624 L A 0.0000
625 I A -0.0021
626 V A 0.4346
627 E A -0.6755
628 I A 0.0000
629 V A -0.3417
630 R A -2.3842
631 R A -2.0315
632 K A -2.5045
633 Q A -2.6272
634 Q A -2.6161
635 P A -2.1243
636 P A -1.3773
637 P A -1.4346
638 R A -1.9085
639 T A -0.9981
640 P A -0.7709
641 L A 0.1283
642 D A -1.5356
643 Q A -1.5241
644 P A -0.3523
645 V A 0.6254
646 D A -0.7691
647 I A 0.3775
648 G A -0.2882
649 T A -0.3440
650 S A -0.3290
651 L A 0.0000
652 I A -0.3661
653 Q A -1.2080
654 D A 0.0000
655 M A 0.0000
656 K A -1.6275
657 A A -1.2727
658 Y A 0.0000
659 L A -1.3258
660 E A -2.1524
661 G A -1.5318
662 A A -0.9824
663 G A 0.0000
664 A A -1.2744
665 E A -1.9571
666 F A 0.0000
667 C A -1.0103
668 D A -1.4731
669 I A 0.0000
670 T A -1.2671
671 L A 0.0000
672 L A -1.6652
673 L A 0.0000
674 D A -2.6612
675 G A -2.0874
676 H A -2.3359
677 P A -1.6032
678 R A -1.2592
679 P A -0.8628
680 A A 0.0000
681 H A 0.0000
682 K A -0.5903
683 A A 0.0000
684 I A 0.0000
685 L A 0.0000
686 A A 0.0000
687 A A 0.0000
688 R A 0.0000
689 S A 0.0000
690 S A 0.1580
691 Y A 0.4899
692 F A 0.0000
693 E A -0.4703
694 A A -0.1141
695 M A 0.4293
696 F A 0.0000
697 R A -1.0621
698 S A 0.0773
699 F A 1.4152
700 M A 0.1307
701 P A -0.9561
702 E A -2.4687
703 D A -2.8385
704 G A -1.9489
705 Q A -1.9251
706 V A 0.0000
707 N A -1.7986
708 I A 0.0000
709 S A -0.8175
710 I A 0.0000
711 G A -0.9890
712 E A -1.9777
713 M A -1.0940
714 V A -0.8764
715 P A 0.0000
716 S A -1.8414
717 R A -3.2065
718 Q A -2.7747
719 A A 0.0000
720 F A 0.0000
721 E A -2.8776
722 S A 0.0000
723 M A 0.0000
724 L A 0.0000
725 R A -1.4504
726 Y A 0.0000
727 I A 0.0000
728 Y A 0.0000
729 Y A 0.0000
730 G A -0.5367
731 E A -0.8271
732 V A 0.0000
733 N A -1.3707
734 M A -1.0105
735 P A -0.7284
736 P A 0.0000
737 E A -0.7774
738 D A 0.0000
739 S A 0.0000
740 L A 0.0000
741 Y A 0.0000
742 L A 0.0000
743 F A 0.5457
744 A A 0.7301
745 A A 0.0000
746 P A 0.0000
747 Y A 1.4790
748 Y A 1.2170
749 Y A 0.0000
750 G A 0.5667
751 F A 0.0000
752 Y A 0.3744
753 N A 0.0000
754 N A -1.2322
755 R A 0.0000
756 L A 0.0000
757 Q A -0.7284
758 A A -0.7340
759 Y A -0.9239
760 C A 0.0000
761 K A -1.5496
762 Q A -1.3824
763 N A 0.0000
764 L A 0.0000
765 E A -1.8033
766 M A -0.3406
767 N A -0.5722
768 V A -0.4252
769 T A -0.1588
770 V A -0.5124
771 Q A -1.3672
772 N A -0.9727
773 V A 0.0000
774 L A 0.0000
775 Q A -1.3118
776 I A 0.0000
777 L A 0.0000
778 E A -1.6324
779 A A 0.0000
780 A A 0.0000
781 D A -1.7354
782 K A -2.3420
783 T A -1.4275
784 Q A -1.6712
785 A A -0.9996
786 L A -0.3754
787 D A -1.9604
788 M A -1.6033
789 K A -1.9062
790 R A -2.5584
791 H A -1.8170
792 C A 0.0000
793 L A -1.3072
794 H A -1.5492
795 I A -0.6659
796 I A 0.0000
797 V A -0.0797
798 H A -1.2663
799 Q A -1.0820
800 F A -0.5966
801 T A -1.2180
802 K A -2.3453
803 V A 0.0000
804 S A -1.4729
805 K A -2.3184
806 L A -1.5041
807 P A -1.1162
808 T A -1.2217
809 L A -1.1959
810 R A -2.2106
811 S A -1.3239
812 L A 0.0000
813 S A -1.2670
814 Q A -1.7032
815 Q A -1.2757
816 L A 0.0000
817 L A -0.0676
818 L A 0.5806
819 D A -0.5289
820 I A 0.0000
821 I A 1.4410
822 D A -0.4209
823 S A -0.2396
824 L A 0.5340
825 A A 0.1107
826 S A -0.5759
827 H A -0.5762
828 I A 0.5090
829 S A -0.8758
830 D A -2.0944
831 K A -2.1732
832 Q A -1.6464
833 C A -0.9332
834 A A -1.3392
835 E A -2.2061
836 L A -0.2358
837 G A -0.3146
838 A A -0.5785
839 D A -0.8779
840 I A 1.1039
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Laboratory of Theory of Biopolymers 2018