Project name: AntFigueira

Status: done

Started: 2026-07-23 19:40:18
Settings
Chain sequence(s) A: MSPILGYWKIKGLVQPTRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLEFPNLPYYIDGDVKLTQSMAIIRYIADKHNMLGGCPKERAEISMLEGAVLDIRYGVSRIAYSKDFETLKVDFLSKLPEMLKMFEDRLCHKTYLNGDHVTHPDFMLYDALDVVLYMDPMCLDAFPKLVCFKKRIEAIPQIDKYLKSSKYIAWPLQGWQATFGGGDHPPKSDLEVLFQGPLGSTDPSQFNDGFPTNVQPGECYSRCLAPAVYEDVEEQIEIAPAMSRTEVIPAEYEWVDEQVVAQEASEKIETIPARFEWQETDVVVKDGSEEIKVIPARYEWVEEQVVVKEATEELRPVEAKYDWVNEQVMVSPEVVTVTITNPGYEEVREQVLVKAPSAKWIKKTTHCSPEDIKMGLTDCDTLCYVAVPAMYKTVIKKVPKDCYGPSMSGCRQEVVIPAEYKNVRKKVVVEPARTETVTIPPEYRTVRKQVMVSPARTDVVTIPPVTRKIRKKVMVAPAQSRAIPVPPEYKTVKVKRLVKPAEERVINVPAEYKTIVKKVKVSDSKIVWKPALCKDELIEFPGRLERPHRD
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                                          (00:10:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:35)
Show buried residues

Minimal score value
-4.0152
Maximal score value
2.687
Average score
-0.9815
Total score value
-570.2615

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 0.6556
2 S A 0.0000
3 P A 0.0000
4 I A -0.5846
5 L A 0.0000
6 G A 0.0000
7 Y A 0.0000
8 W A -0.8722
9 K A -1.5529
10 I A 0.0000
11 K A 0.0000
12 G A 0.0000
13 L A 0.3691
14 V A 0.0000
15 Q A 0.0000
16 P A 0.0000
17 T A 0.0000
18 R A 0.0000
19 L A 0.0000
20 L A 0.0000
21 L A 0.0000
22 E A -1.4008
23 Y A -0.7469
24 L A -1.0070
25 E A -2.3171
26 E A -1.9977
27 K A -2.3361
28 Y A -1.4520
29 E A -1.3630
30 E A -1.3740
31 H A -0.7770
32 L A -0.8703
33 Y A 0.0000
34 E A -3.3654
35 R A -3.9932
36 D A -3.8369
37 E A -3.5056
38 G A -3.4269
39 D A -3.9334
40 K A -3.6725
41 W A 0.0000
42 R A -3.8032
43 N A -3.2601
44 K A -2.5553
45 K A -1.5327
46 F A -0.1249
47 E A -1.6700
48 L A -1.0366
49 G A -1.0559
50 L A 0.0000
51 E A -0.9790
52 F A 0.6425
53 P A -0.5683
54 N A -1.1882
55 L A -0.4225
56 P A 0.0000
57 Y A 0.0000
58 Y A 0.0000
59 I A 0.0000
60 D A -0.7200
61 G A -1.2278
62 D A -2.1124
63 V A -0.9809
64 K A -1.2185
65 L A -0.6120
66 T A -0.7498
67 Q A -1.0127
68 S A 0.0000
69 M A -0.3397
70 A A -0.4413
71 I A 0.0000
72 I A 0.0000
73 R A -1.3307
74 Y A -1.1114
75 I A 0.0000
76 A A 0.0000
77 D A -3.0601
78 K A -2.6700
79 H A -2.1534
80 N A -2.5016
81 M A 0.0000
82 L A -1.8982
83 G A -1.9755
84 G A -1.3785
85 C A -1.3270
86 P A -1.8812
87 K A -2.9023
88 E A -2.8056
89 R A -2.4504
90 A A -1.7079
91 E A -1.8653
92 I A 0.0000
93 S A -0.8316
94 M A -0.1173
95 L A 0.0000
96 E A 0.0000
97 G A -0.5343
98 A A -0.4637
99 V A 0.0000
100 L A -0.4915
101 D A -1.5430
102 I A 0.0000
103 R A 0.0000
104 Y A -0.3035
105 G A -0.8280
106 V A 0.0000
107 S A -0.5856
108 R A -1.4236
109 I A 0.0000
110 A A 0.0000
111 Y A -0.4641
112 S A -1.6099
113 K A -2.6438
114 D A -3.0410
115 F A 0.0000
116 E A -2.5107
117 T A -1.4738
118 L A -1.2433
119 K A -0.7665
120 V A 0.2907
121 D A -1.4344
122 F A -0.6602
123 L A -0.5480
124 S A -1.2751
125 K A -2.3537
126 L A 0.0000
127 P A -1.8314
128 E A -2.7821
129 M A -1.8120
130 L A 0.0000
131 K A -2.6260
132 M A -1.4099
133 F A 0.0000
134 E A -1.7985
135 D A -2.4156
136 R A -1.8687
137 L A 0.0000
138 C A -1.2271
139 H A -1.8836
140 K A -2.4555
141 T A -1.7526
142 Y A -1.4600
143 L A 0.0000
144 N A -1.6636
145 G A -2.0514
146 D A -2.7785
147 H A -2.0904
148 V A 0.0000
149 T A 0.0000
150 H A 0.0000
151 P A 0.0000
152 D A 0.0000
153 F A 0.0000
154 M A 0.0000
155 L A 0.0000
156 Y A 0.0000
157 D A 0.0000
158 A A 0.0000
159 L A 0.0000
160 D A -0.0659
161 V A 0.0000
162 V A 0.0000
163 L A 0.3758
164 Y A 0.4480
165 M A 0.0000
166 D A -0.0843
167 P A -0.4049
168 M A -0.2117
169 C A -0.2585
170 L A 0.0000
171 D A -1.6592
172 A A -1.0328
173 F A 0.0000
174 P A -0.3481
175 K A -1.1186
176 L A 0.0000
177 V A -0.0698
178 C A -0.0913
179 F A 0.0000
180 K A -0.9588
181 K A -1.8905
182 R A -1.3498
183 I A 0.0000
184 E A -1.4693
185 A A -1.2459
186 I A -0.8597
187 P A -0.9745
188 Q A -1.3978
189 I A 0.0000
190 D A -2.1319
191 K A -2.6457
192 Y A 0.0000
193 L A -1.6031
194 K A -2.5679
195 S A -1.9083
196 S A -1.4469
197 K A -1.9112
198 Y A -0.9960
199 I A -0.2269
200 A A 0.0882
201 W A -0.4247
202 P A 0.0000
203 L A 0.0000
204 Q A 0.0000
205 G A 0.0000
206 W A -1.5161
207 Q A -1.4139
208 A A 0.0000
209 T A -0.9581
210 F A 0.0000
211 G A 0.0000
212 G A -0.8990
213 G A -1.8222
214 D A -2.6697
215 H A -2.2269
216 P A -1.4045
217 P A -1.8304
218 K A -2.2944
219 S A -1.4718
220 D A -1.8091
221 L A -0.7550
222 E A -0.8669
223 V A 0.4720
224 L A 0.0329
225 F A -0.0610
226 Q A -0.9179
227 G A -0.7770
228 P A -0.0735
229 L A 0.9135
230 G A -0.2323
231 S A -0.7000
232 T A -1.2808
233 D A -2.1992
234 P A -1.4912
235 S A -1.2709
236 Q A -1.8009
237 F A -1.5337
238 N A -1.8740
239 D A -1.5019
240 G A -0.7873
241 F A -0.5387
242 P A -0.4105
243 T A -0.7844
244 N A -1.4866
245 V A -1.1667
246 Q A -1.6329
247 P A -1.0956
248 G A -0.5473
249 E A -0.6499
250 C A 0.0000
251 Y A 0.0000
252 S A 0.0000
253 R A -0.5404
254 C A 0.0000
255 L A -0.6948
256 A A -0.5283
257 P A -0.4710
258 A A -0.4107
259 V A 0.4140
260 Y A -0.5866
261 E A -2.2573
262 D A -2.8642
263 V A -1.8439
264 E A -2.2925
265 E A -2.0235
266 Q A -1.5491
267 I A -0.5645
268 E A -1.1771
269 I A 0.2144
270 A A -0.1598
271 P A -0.3095
272 A A -0.2402
273 M A 0.1213
274 S A -0.7439
275 R A -1.7022
276 T A -1.2934
277 E A -1.0059
278 V A 0.1761
279 I A -0.2260
280 P A -0.6290
281 A A -0.8807
282 E A -1.9885
283 Y A -0.7209
284 E A -1.3405
285 W A -0.7622
286 V A -1.8814
287 D A -3.2875
288 E A -3.0985
289 Q A -2.1992
290 V A -0.6694
291 V A -0.3683
292 A A -1.0933
293 Q A -2.3435
294 E A -2.3729
295 A A -1.6824
296 S A -1.5060
297 E A -2.1487
298 K A -1.9094
299 I A -0.7140
300 E A -1.9586
301 T A -0.9476
302 I A -0.4107
303 P A -0.5521
304 A A -0.2937
305 R A -0.6350
306 F A 1.0842
307 E A -0.9145
308 W A -1.5174
309 Q A -3.0614
310 E A -4.0152
311 T A -3.2332
312 D A -2.7012
313 V A 0.0294
314 V A 0.9446
315 V A 0.3229
316 K A -1.3824
317 D A -1.8283
318 G A -1.2568
319 S A -1.9325
320 E A -1.8057
321 E A -1.6564
322 I A 0.6628
323 K A -0.4931
324 V A 1.3049
325 I A 0.7505
326 P A -0.0648
327 A A -0.2433
328 R A -0.8960
329 Y A 0.3779
330 E A -0.8616
331 W A -0.8354
332 V A -1.6567
333 E A -3.6692
334 E A -3.5960
335 Q A -2.3513
336 V A -0.3357
337 V A -0.0299
338 V A -0.8014
339 K A -2.6214
340 E A -2.5553
341 A A -1.7749
342 T A -1.6706
343 E A -2.1511
344 E A -1.9314
345 L A -0.9473
346 R A -2.3741
347 P A -1.9055
348 V A -1.6411
349 E A -2.5814
350 A A -1.6881
351 K A -1.6980
352 Y A -0.4099
353 D A -1.1784
354 W A -0.5356
355 V A -1.1849
356 N A -2.8411
357 E A -2.5788
358 Q A -2.2246
359 V A -0.2115
360 M A 0.2363
361 V A 0.5095
362 S A -0.2509
363 P A -0.5357
364 E A -0.6753
365 V A 1.6473
366 V A 1.8551
367 T A 1.0650
368 V A 0.5650
369 T A 0.0237
370 I A 0.0693
371 T A -0.5453
372 N A -1.0947
373 P A -1.4028
374 G A -1.7097
375 Y A -1.9295
376 E A -3.3290
377 E A -3.2461
378 V A -1.9784
379 R A -2.4135
380 E A -1.9371
381 Q A -1.1204
382 V A 0.2973
383 L A 0.8948
384 V A 0.5753
385 K A -0.6730
386 A A -0.1869
387 P A -0.3041
388 S A -0.7331
389 A A -0.7223
390 K A -1.5746
391 W A 0.0000
392 I A -0.6941
393 K A -1.6362
394 K A -1.6883
395 T A -1.1607
396 T A -1.3431
397 H A -1.3806
398 C A -1.0239
399 S A -0.6569
400 P A -0.8856
401 E A -1.6699
402 D A 0.0000
403 I A 0.4922
404 K A -0.9956
405 M A 0.2989
406 G A -0.0194
407 L A 0.0000
408 T A -0.6832
409 D A -1.8698
410 C A 0.0000
411 D A -1.5603
412 T A 0.0000
413 L A 0.0000
414 C A 0.0000
415 Y A -0.4960
416 V A -0.0742
417 A A -0.2717
418 V A 0.0395
419 P A 0.0461
420 A A 0.3559
421 M A 0.8116
422 Y A 0.7070
423 K A -0.7878
424 T A -0.9053
425 V A -0.5413
426 I A -0.5886
427 K A -1.8752
428 K A -2.6704
429 V A -1.5028
430 P A 0.0000
431 K A -2.9722
432 D A -2.3535
433 C A -1.1244
434 Y A 0.0607
435 G A -0.0673
436 P A 0.1279
437 S A 0.4871
438 M A 0.5520
439 S A 0.0690
440 G A 0.0000
441 C A -1.0091
442 R A -1.0172
443 Q A -1.3686
444 E A -0.4140
445 V A 2.0608
446 V A 2.6870
447 I A 1.7889
448 P A 0.0985
449 A A -0.7017
450 E A -1.5575
451 Y A -0.5357
452 K A -1.9703
453 N A -2.6582
454 V A -1.9152
455 R A -3.1246
456 K A -2.8365
457 K A -1.8613
458 V A -0.1153
459 V A 0.7432
460 V A 0.5005
461 E A -1.5570
462 P A -1.2556
463 A A -1.8097
464 R A -2.6870
465 T A -2.0459
466 E A -2.3198
467 T A -1.2078
468 V A -0.5732
469 T A -0.4668
470 I A -0.4472
471 P A -0.9697
472 P A -1.6356
473 E A -2.2798
474 Y A -0.9406
475 R A -1.9694
476 T A -2.1026
477 V A -2.2041
478 R A -3.5908
479 K A -3.0297
480 Q A -1.5402
481 V A 0.3876
482 M A 1.0899
483 V A 1.4002
484 S A 0.0280
485 P A -0.3312
486 A A -0.5912
487 R A -1.6806
488 T A -0.3721
489 D A -0.9845
490 V A 0.4675
491 V A 0.0901
492 T A -0.0760
493 I A -0.0754
494 P A -0.4538
495 P A -0.1836
496 V A 0.8593
497 T A -0.2754
498 R A -1.9927
499 K A -3.2699
500 I A -2.3684
501 R A -3.8309
502 K A -3.7397
503 K A -2.5022
504 V A -0.7811
505 M A 1.0953
506 V A 1.4424
507 A A 0.2860
508 P A -0.1046
509 A A -0.7482
510 Q A -1.5638
511 S A -1.7419
512 R A -2.3450
513 A A -1.1636
514 I A -0.3674
515 P A -0.5517
516 V A -0.5029
517 P A -1.1154
518 P A -1.5234
519 E A -2.2120
520 Y A -0.9034
521 K A -1.8884
522 T A -1.7755
523 V A -1.5828
524 K A -2.7432
525 V A -1.9756
526 K A -2.4634
527 R A -2.5053
528 L A -0.6025
529 V A -0.4635
530 K A -2.1023
531 P A -1.4484
532 A A -1.4879
533 E A -2.5782
534 E A -2.5648
535 R A -2.1077
536 V A -0.2300
537 I A -0.4310
538 N A -0.7501
539 V A -0.0033
540 P A -0.3361
541 A A -0.6884
542 E A -1.5474
543 Y A -0.6913
544 K A -1.1801
545 T A -0.7169
546 I A -0.0481
547 V A -0.3622
548 K A -1.8860
549 K A -2.5689
550 V A -1.1904
551 K A -1.2975
552 V A 0.5077
553 S A -0.4099
554 D A -2.0948
555 S A -1.7383
556 K A -1.7264
557 I A -0.5071
558 V A 0.0601
559 W A -0.1664
560 K A -0.0416
561 P A -0.0494
562 A A 0.3999
563 L A 0.8913
564 C A -0.3461
565 K A -1.9468
566 D A -2.4248
567 E A -1.7907
568 L A 0.6703
569 I A 1.4930
570 E A 0.1797
571 F A 1.3092
572 P A -0.0159
573 G A -1.0268
574 R A -1.8466
575 L A -0.9479
576 E A -2.7252
577 R A -3.1714
578 P A -2.5878
579 H A -3.1709
580 R A -3.5165
581 D A -2.9775
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018