Project name: AnuG

Status: done

Started: 2026-06-15 19:52:41
Settings
Chain sequence(s) A: MVQISNVWGFGLAIMASLAAAAPKDCPDGLCLRTRANLSPLEVSQELGPLISNASSIFGPSDSRWANATARYQQYAAPKFTVVVRVARESDVSVIIKYANRNSLPFYAVNRGHGLPISQAKFSGLEIDMQLLTGITIQSNGKSALFQGGTYDQQVMDTLWEEGYVTTTGSCGCVGMLGPALGGGHGRQQGFHGLISDNILKLNVVLADGTTATVSNTSHTDLFWAMKGAGHNFGVVTSFEMSIYPTQVHSWYYKNYVFTQDKLEDLFEQLNVLQGNGTQPVKMAAQYGIYMMDSTVSATEAIIWWTFGYAGSQSEAQQYLTPFDDLNPLSSTDGNVPFPEVPNVQGTGINNATCDKGLERIVGPAGLQVYNATAQRQIYDLFNRNVKSYPELAASAVVMEGYSVEAVRKVDSDSSAYPMRDDYLLMQTTVSYSPNSTLDNVAIDWVTENQKFWNEGQPTRKPTAYVNYASGRESLEAMYGYEPWRLERLRKLKAKYDPEGRFSYYNPIV
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:57)
Show buried residues

Minimal score value
-3.4298
Maximal score value
2.908
Average score
-0.4853
Total score value
-246.9992

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 1.6438
2 V A 2.0646
3 Q A 0.9013
4 I A 1.5604
5 S A 0.3156
6 N A 0.3362
7 V A 1.7217
8 W A 1.9987
9 G A 1.3000
10 F A 2.1260
11 G A 1.3610
12 L A 2.4778
13 A A 2.1865
14 I A 2.9080
15 M A 2.4298
16 A A 1.4847
17 S A 1.1787
18 L A 1.6535
19 A A 0.8116
20 A A 0.5309
21 A A 0.0208
22 A A -0.7010
23 P A -1.1366
24 K A -2.5424
25 D A -2.7577
26 C A -1.2463
27 P A -1.5365
28 D A -1.8932
29 G A -0.7659
30 L A 0.3767
31 C A 0.3715
32 L A 0.7561
33 R A -1.1742
34 T A -1.0644
35 R A -1.2960
36 A A -1.1328
37 N A -1.5365
38 L A 0.0000
39 S A -0.4176
40 P A -0.0427
41 L A 0.5324
42 E A -1.1978
43 V A 0.0000
44 S A -0.5861
45 Q A -1.4584
46 E A -1.1385
47 L A 0.0000
48 G A -0.5991
49 P A -0.3682
50 L A 0.6925
51 I A 0.0478
52 S A -0.8778
53 N A -1.3627
54 A A -0.8183
55 S A -0.7166
56 S A -0.2972
57 I A 0.1238
58 F A 0.0000
59 G A 0.0000
60 P A -0.6154
61 S A -0.7206
62 D A -0.9966
63 S A -1.1722
64 R A -1.6765
65 W A -1.0339
66 A A -0.9739
67 N A -1.6216
68 A A 0.0000
69 T A -0.6949
70 A A -0.7940
71 R A 0.0000
72 Y A -0.8230
73 Q A 0.0000
74 Q A -0.8156
75 Y A -0.2139
76 A A -0.3195
77 A A -0.6755
78 P A 0.0000
79 K A -1.9366
80 F A -0.6871
81 T A -0.6410
82 V A 0.0000
83 V A 0.0000
84 V A 0.0000
85 R A -0.3435
86 V A 0.0000
87 A A -1.0010
88 R A -2.1642
89 E A -1.3890
90 S A -0.8879
91 D A 0.0000
92 V A 0.0000
93 S A 0.0000
94 V A 0.4351
95 I A 0.0000
96 I A 0.0000
97 K A -1.2623
98 Y A 0.0000
99 A A 0.0000
100 N A -1.4035
101 R A -1.2500
102 N A 0.0000
103 S A -0.9292
104 L A 0.0000
105 P A -0.3397
106 F A 0.0000
107 Y A 0.0398
108 A A 0.1472
109 V A -0.0668
110 N A -0.1926
111 R A -0.3411
112 G A -0.4001
113 H A -0.2845
114 G A -0.0945
115 L A 0.0000
116 P A 0.0000
117 I A 0.2747
118 S A -0.2231
119 Q A 0.0000
120 A A -0.9330
121 K A -1.8801
122 F A 0.0000
123 S A -1.3504
124 G A 0.0000
125 L A 0.0000
126 E A 0.0000
127 I A 0.0000
128 D A 0.0000
129 M A 0.0000
130 Q A 0.0469
131 L A 0.2423
132 L A 0.0000
133 T A 0.0904
134 G A -0.0034
135 I A 0.2400
136 T A 0.1550
137 I A -0.4966
138 Q A -1.2031
139 S A -1.3080
140 N A -2.0639
141 G A -1.7952
142 K A -2.1624
143 S A 0.0000
144 A A 0.0000
145 L A 0.3240
146 F A 0.0000
147 Q A -0.3593
148 G A 0.0000
149 G A 0.0000
150 T A 0.0000
151 Y A 0.2135
152 D A 0.0000
153 Q A 0.0000
154 Q A -0.3358
155 V A 0.0000
156 M A 0.0000
157 D A -1.8313
158 T A -1.4142
159 L A 0.0000
160 W A -1.8889
161 E A -2.9237
162 E A -2.8181
163 G A -1.8222
164 Y A -1.1918
165 V A 0.0000
166 T A 0.0000
167 T A 0.0000
168 T A 0.0000
169 G A 0.0000
170 S A 0.0621
171 C A 0.2194
172 G A 0.0000
173 C A 0.0171
174 V A 0.3100
175 G A 0.0000
176 M A 0.0000
177 L A 0.0000
178 G A -0.2344
179 P A -0.1253
180 A A 0.0000
181 L A 0.0000
182 G A 0.0000
183 G A 0.0000
184 G A 0.0000
185 H A 0.0000
186 G A 0.0000
187 R A 0.0000
188 Q A 0.0000
189 Q A 0.0000
190 G A 0.0000
191 F A 0.1833
192 H A -0.2730
193 G A 0.0000
194 L A 0.0000
195 I A 0.0000
196 S A 0.0000
197 D A -0.3101
198 N A 0.0000
199 I A 0.0000
200 L A 0.4372
201 K A -0.4150
202 L A 0.0000
203 N A -0.6377
204 V A 0.0000
205 V A 0.0000
206 L A -0.5780
207 A A 0.0000
208 D A -2.3888
209 G A 0.0000
210 T A -0.6121
211 T A -0.4008
212 A A -0.2678
213 T A -0.5027
214 V A 0.0000
215 S A -0.9382
216 N A -1.4431
217 T A -0.9056
218 S A -0.9677
219 H A -1.1029
220 T A -1.0513
221 D A -0.9220
222 L A 0.0000
223 F A 0.0000
224 W A 0.0000
225 A A 0.0000
226 M A 0.0000
227 K A -0.3161
228 G A 0.0000
229 A A 0.0000
230 G A 0.0000
231 H A -0.1075
232 N A 0.0000
233 F A 0.0000
234 G A 0.0000
235 V A 0.0000
236 V A 0.0000
237 T A 0.0000
238 S A 0.0000
239 F A 0.0000
240 E A 0.0000
241 M A 0.0000
242 S A -0.3458
243 I A 0.0000
244 Y A -0.3228
245 P A -0.8428
246 T A -1.1612
247 Q A -1.3679
248 V A -1.0098
249 H A -1.3940
250 S A -1.1021
251 W A 0.0000
252 Y A 0.0000
253 Y A -0.7810
254 K A 0.0000
255 N A 0.0000
256 Y A 0.0000
257 V A 0.5128
258 F A 0.0000
259 T A -0.6722
260 Q A -1.7919
261 D A -2.4395
262 K A -1.9965
263 L A 0.0000
264 E A -2.6840
265 D A -3.1757
266 L A 0.0000
267 F A 0.0000
268 E A -2.4154
269 Q A -1.0792
270 L A 0.0000
271 N A -0.4812
272 V A 0.9694
273 L A 0.0000
274 Q A 0.0000
275 G A -0.1673
276 N A -1.2377
277 G A 0.0000
278 T A -0.3068
279 Q A 0.0000
280 P A -0.0066
281 V A 0.1558
282 K A -0.3910
283 M A 0.0000
284 A A 0.0000
285 A A 0.0000
286 Q A 0.0000
287 Y A 0.0000
288 G A 0.0000
289 I A 0.5939
290 Y A 0.0000
291 M A 0.2464
292 M A -0.0377
293 D A -0.3599
294 S A -0.2974
295 T A 0.0251
296 V A 0.4974
297 S A -0.1515
298 A A -0.4231
299 T A -1.0239
300 E A -1.5083
301 A A 0.0000
302 I A 0.0000
303 I A 0.0000
304 W A 0.3504
305 W A 0.0000
306 T A 0.0000
307 F A 0.0000
308 G A 0.0000
309 Y A 0.0000
310 A A 0.0000
311 G A -1.0194
312 S A -1.2274
313 Q A -1.7746
314 S A -1.2270
315 E A -1.4938
316 A A 0.0000
317 Q A -1.3035
318 Q A -1.4528
319 Y A -0.3017
320 L A 0.0000
321 T A -1.0554
322 P A -1.1814
323 F A 0.0000
324 D A -1.8854
325 D A -2.4681
326 L A -1.9829
327 N A -1.7770
328 P A -0.5278
329 L A 0.8750
330 S A 0.1240
331 S A -0.5581
332 T A -0.8803
333 D A -1.9652
334 G A -1.5335
335 N A -1.8783
336 V A -1.0504
337 P A -0.9033
338 F A 0.0000
339 P A 0.0000
340 E A -1.2715
341 V A 0.0000
342 P A 0.0000
343 N A -0.9366
344 V A -0.5738
345 Q A 0.0000
346 G A -0.4869
347 T A -0.3873
348 G A 0.0000
349 I A -0.2397
350 N A -1.5031
351 N A -1.2687
352 A A -1.0773
353 T A -0.8213
354 C A -1.1072
355 D A -2.2496
356 K A -1.8717
357 G A -1.1864
358 L A -0.7932
359 E A -0.6603
360 R A 0.0000
361 I A 0.0000
362 V A 0.0000
363 G A 0.0000
364 P A 0.0000
365 A A 0.0000
366 G A -0.5862
367 L A 0.0000
368 Q A -0.7963
369 V A -0.1023
370 Y A 0.0000
371 N A -1.1112
372 A A -1.3559
373 T A -0.9062
374 A A 0.0000
375 Q A 0.0000
376 R A -1.6028
377 Q A -1.9102
378 I A 0.0000
379 Y A 0.0000
380 D A -2.7329
381 L A -1.9016
382 F A 0.0000
383 N A 0.0000
384 R A -2.6351
385 N A 0.0000
386 V A 0.0000
387 K A -2.5400
388 S A -1.4359
389 Y A -1.0085
390 P A -1.5828
391 E A -2.0889
392 L A 0.0000
393 A A -0.7446
394 A A -0.2645
395 S A 0.0000
396 A A 0.2960
397 V A 0.0000
398 V A 0.4423
399 M A 0.0000
400 E A 0.0000
401 G A 0.0000
402 Y A 0.0000
403 S A 0.0000
404 V A 0.0000
405 E A -0.9314
406 A A -0.9240
407 V A 0.0000
408 R A -2.4039
409 K A -2.4475
410 V A -1.8429
411 D A -2.6656
412 S A -2.1243
413 D A -2.0328
414 S A -1.3885
415 S A 0.0000
416 A A 0.0000
417 Y A 0.0000
418 P A -0.9511
419 M A 0.0000
420 R A 0.0000
421 D A -2.1607
422 D A 0.0000
423 Y A -0.7465
424 L A 0.0000
425 L A 0.0000
426 M A 0.0000
427 Q A 0.0000
428 T A 0.0000
429 T A 0.0000
430 V A 0.0000
431 S A 0.0000
432 Y A 0.0000
433 S A -0.9128
434 P A -0.8473
435 N A -1.0911
436 S A -0.8600
437 T A -0.6700
438 L A 0.0000
439 D A -1.1170
440 N A -1.6201
441 V A -0.8495
442 A A 0.0000
443 I A -1.0478
444 D A -2.1501
445 W A 0.0000
446 V A 0.0000
447 T A -1.5508
448 E A -2.1367
449 N A 0.0000
450 Q A -1.7722
451 K A -2.5885
452 F A -1.9756
453 W A 0.0000
454 N A -2.4829
455 E A -2.8713
456 G A -1.5374
457 Q A -1.4296
458 P A -1.5621
459 T A -1.1421
460 R A -1.7971
461 K A -2.3518
462 P A -1.7891
463 T A -0.7274
464 A A 0.0000
465 Y A 0.0000
466 V A 0.0000
467 N A -0.0928
468 Y A 0.1287
469 A A 0.0000
470 S A 0.0000
471 G A -0.3786
472 R A -0.7392
473 E A -0.7645
474 S A -0.4992
475 L A 0.0317
476 E A -0.9575
477 A A 0.0000
478 M A 0.0000
479 Y A 0.0000
480 G A 0.0000
481 Y A -0.4572
482 E A -0.9418
483 P A -1.0303
484 W A -1.0757
485 R A 0.0000
486 L A 0.0000
487 E A -3.0471
488 R A -2.5606
489 L A 0.0000
490 R A -2.6246
491 K A -3.4298
492 L A 0.0000
493 K A 0.0000
494 A A -1.8537
495 K A -2.5346
496 Y A 0.0000
497 D A 0.0000
498 P A -2.1704
499 E A -2.5009
500 G A -0.9268
501 R A -1.2466
502 F A -0.2909
503 S A -0.1123
504 Y A -0.0493
505 Y A 0.2804
506 N A 0.0000
507 P A 0.4883
508 I A 0.0000
509 V A 1.5095
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Laboratory of Theory of Biopolymers 2018