Project name: CSTF2T

Status: done

Started: 2025-11-16 12:52:09
Settings
Chain sequence(s) A: MSSLAVRDPAMDRSLRSVFVGNIPYEATEEQLKDIFSEVGSVVSFRLVYDRETGKPKGYGFCEYQDQETALSAMRNLNGREFSGRALRVDNAASEKNKEELKSLGPAAPIIDSPYGDPIDPEDAPESITRAVASLPPEQMFELMKQMKLCVQNSHQEARNMLLQNPQLAYALLQAQVVMRIMDPEIALKILHRKIHVTPLIPGKSQSVSVSGPGPGPGPGLCPGPNVLLNQQNPPAPQPQHLARRPVKDIPPLMQTPIQGGIPAPGPIPAAVPGAGPGSLTPGGAMQPQLGMPGVGPVPLERGQVQMSDPRAPIPRGPVTPGGLPPRGLLGDAPNDPRGGTLLSVTGEVEPRGYLGPPHQGPPMHHASGHDTRGPSSHEMRGGPLGDPRLLIGEPRGPMIDQRGLPMDGRGGRDSRAMETRAMETEVLETRVMERRGMETCAMETRGMEARGMDARGLEMRGPVPSSRGPMTGGIQGPGPINIGAGGPPQGPRQVPGISGVGNPGAGMQGTGIQGTGMQGAGIQGGGMQGAGIQGVSIQGGGIQGGGIQGASKQGGSQPSSFSPGQSQVTPQDQEKAALIMQVLQLTADQIAMLPPEQRQSILILKEQIQKSTGAS
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:11)
Show buried residues

Minimal score value
-4.0285
Maximal score value
2.8525
Average score
-0.7417
Total score value
-456.8714

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 1.0973
2 S A 0.6313
3 S A 0.9746
4 L A 1.7763
5 A A 0.8216
6 V A 0.8722
7 R A -1.4971
8 D A -2.1179
9 P A -1.4693
10 A A -1.2799
11 M A -0.9673
12 D A -1.5297
13 R A -1.9846
14 S A -0.5413
15 L A -0.5386
16 R A -1.4991
17 S A -0.6366
18 V A 0.0000
19 F A -0.3303
20 V A 0.0000
21 G A 0.0000
22 N A -1.4583
23 I A 0.0000
24 P A 0.0000
25 Y A -0.1488
26 E A -1.2342
27 A A 0.0000
28 T A -1.8695
29 E A -2.9275
30 E A -3.6528
31 Q A -2.9081
32 L A 0.0000
33 K A -3.2985
34 D A -3.4646
35 I A -1.9600
36 F A 0.0000
37 S A -1.6406
38 E A -2.3001
39 V A -1.0606
40 G A -0.9173
41 S A -0.9319
42 V A -0.5491
43 V A 0.5289
44 S A -0.6699
45 F A 0.0000
46 R A -1.3683
47 L A 0.0000
48 V A -0.1049
49 Y A -0.5333
50 D A -2.0276
51 R A -3.0284
52 E A -3.0535
53 T A -2.2511
54 G A -2.2115
55 K A -2.1931
56 P A -0.9505
57 K A -1.0771
58 G A -0.5067
59 Y A 0.0000
60 G A 0.0000
61 F A -0.0994
62 C A 0.0000
63 E A -1.0444
64 Y A 0.0000
65 Q A -2.0753
66 D A -2.6039
67 Q A -2.1684
68 E A -2.3466
69 T A -1.6986
70 A A 0.0000
71 L A -0.9471
72 S A -1.2567
73 A A 0.0000
74 M A -1.7470
75 R A -2.5606
76 N A -2.6035
77 L A 0.0000
78 N A -3.0462
79 G A -2.7665
80 R A -2.8017
81 E A -3.1325
82 F A -1.6362
83 S A -1.2381
84 G A -1.7066
85 R A -2.6519
86 A A -2.5987
87 L A 0.0000
88 R A -2.9167
89 V A 0.0000
90 D A -1.3580
91 N A -0.6006
92 A A 0.0000
93 A A -1.0479
94 S A -2.0597
95 E A -3.5562
96 K A -3.6548
97 N A 0.0000
98 K A -3.6021
99 E A -4.0285
100 E A -2.6759
101 L A -1.8797
102 K A -2.5090
103 S A -1.3445
104 L A -0.0372
105 G A -0.3597
106 P A -0.4509
107 A A 0.0940
108 A A 0.7943
109 P A 1.0120
110 I A 2.1680
111 I A 1.5924
112 D A -0.7998
113 S A -0.2375
114 P A 0.1097
115 Y A 0.7583
116 G A -0.2049
117 D A -1.7511
118 P A -0.8589
119 I A -1.0419
120 D A -2.6062
121 P A -2.1197
122 E A -3.1143
123 D A -2.8246
124 A A -2.1151
125 P A -1.8796
126 E A -2.2095
127 S A -1.6702
128 I A -0.9146
129 T A -1.0909
130 R A -2.0363
131 A A -0.8350
132 V A 0.0000
133 A A -0.1934
134 S A -0.3340
135 L A -0.1980
136 P A -0.5775
137 P A -0.6166
138 E A -1.7019
139 Q A -1.2610
140 M A 0.0000
141 F A 0.4358
142 E A -0.9872
143 L A -0.4632
144 M A -0.5833
145 K A -1.3480
146 Q A -1.4616
147 M A -1.0859
148 K A -2.2402
149 L A -1.1306
150 C A -1.6392
151 V A -2.0538
152 Q A -2.0818
153 N A -2.1858
154 S A -2.3556
155 H A -2.8707
156 Q A -3.4602
157 E A -3.4063
158 A A 0.0000
159 R A -3.1267
160 N A -2.7970
161 M A -1.4869
162 L A -0.8232
163 L A -0.1873
164 Q A -1.2008
165 N A -1.0030
166 P A -0.5544
167 Q A -1.0393
168 L A -0.0963
169 A A -0.1862
170 Y A -0.0432
171 A A -0.2663
172 L A 0.0000
173 L A 0.0000
174 Q A 0.1033
175 A A 0.0000
176 Q A 0.5900
177 V A 0.2736
178 V A 1.0184
179 M A 0.7458
180 R A -0.6311
181 I A 1.1667
182 M A 0.0699
183 D A -1.2187
184 P A -1.0316
185 E A -1.5456
186 I A -0.0870
187 A A 0.0000
188 L A -0.1025
189 K A -1.5024
190 I A -0.1584
191 L A 0.0360
192 H A -1.5377
193 R A -2.4297
194 K A -1.8418
195 I A 0.7395
196 H A 0.1101
197 V A 1.8233
198 T A 1.3447
199 P A 1.3859
200 L A 2.5235
201 I A 2.1431
202 P A 0.4141
203 G A -0.7973
204 K A -2.1605
205 S A -1.3847
206 Q A -1.4739
207 S A -0.0455
208 V A 1.6702
209 S A 1.1859
210 V A 1.8698
211 S A 0.4574
212 G A -0.3870
213 P A -0.6792
214 G A -0.9920
215 P A -0.9132
216 G A -0.9508
217 P A -0.9226
218 G A -0.9284
219 P A -0.4369
220 G A 0.1931
221 L A 1.5597
222 C A 1.1002
223 P A 0.1993
224 G A -0.8605
225 P A -0.7592
226 N A -0.1842
227 V A 2.1353
228 L A 2.6175
229 L A 1.6836
230 N A -0.9040
231 Q A -2.3512
232 Q A -2.7689
233 N A -2.3029
234 P A -1.3657
235 P A -0.8357
236 A A -0.5051
237 P A -0.9163
238 Q A -1.6889
239 P A -1.7286
240 Q A -1.7489
241 H A -0.8687
242 L A 0.4928
243 A A -0.5268
244 R A -2.4354
245 R A -2.4251
246 P A -1.0964
247 V A -0.0175
248 K A -1.4579
249 D A -1.4365
250 I A 0.6132
251 P A 0.6250
252 P A 0.9073
253 L A 1.6634
254 M A 1.2154
255 Q A -0.3996
256 T A -0.1713
257 P A 0.2003
258 I A 1.1959
259 Q A -0.6385
260 G A -0.5526
261 G A -0.0421
262 I A 1.5755
263 P A 0.7058
264 A A 0.1377
265 P A -0.5504
266 G A -0.2779
267 P A 0.3278
268 I A 1.6706
269 P A 0.7954
270 A A 0.7975
271 A A 0.8208
272 V A 1.5632
273 P A 0.4642
274 G A -0.2359
275 A A -0.4903
276 G A -0.7679
277 P A -0.7639
278 G A -0.4708
279 S A 0.2626
280 L A 1.2596
281 T A 0.3817
282 P A -0.2881
283 G A -0.8550
284 G A -0.5362
285 A A 0.0564
286 M A 0.3641
287 Q A -1.1096
288 P A -1.0232
289 Q A -0.9847
290 L A 0.8847
291 G A 0.6026
292 M A 0.9007
293 P A 0.3348
294 G A 0.4070
295 V A 1.1923
296 G A 0.6013
297 P A 0.6666
298 V A 1.7658
299 P A 1.0374
300 L A 0.5212
301 E A -2.1096
302 R A -2.8631
303 G A -2.1121
304 Q A -1.1423
305 V A 0.7472
306 Q A -0.4479
307 M A 0.2144
308 S A -0.9542
309 D A -2.4148
310 P A -1.9283
311 R A -2.3255
312 A A -0.9438
313 P A 0.0344
314 I A 1.1060
315 P A -0.3526
316 R A -1.6133
317 G A -0.9582
318 P A -0.0544
319 V A 1.2615
320 T A 0.5118
321 P A -0.0380
322 G A -0.5030
323 G A -0.0553
324 L A 0.7895
325 P A -0.1446
326 P A -1.0099
327 R A -1.5627
328 G A -0.3789
329 L A 1.3936
330 L A 1.3407
331 G A -0.2406
332 D A -1.6482
333 A A -1.3548
334 P A -1.7282
335 N A -2.7429
336 D A -3.1424
337 P A -2.4486
338 R A -2.9210
339 G A -1.9343
340 G A -0.7676
341 T A 0.7047
342 L A 2.1298
343 L A 2.5746
344 S A 1.8750
345 V A 1.8801
346 T A 0.1025
347 G A -0.6457
348 E A -1.5222
349 V A -0.4087
350 E A -2.0810
351 P A -1.8667
352 R A -2.0359
353 G A -0.6545
354 Y A 1.3043
355 L A 1.5661
356 G A 0.3143
357 P A -0.4645
358 P A -1.0659
359 H A -1.9227
360 Q A -2.0167
361 G A -1.3946
362 P A -0.8162
363 P A -0.4297
364 M A 0.1639
365 H A -1.0326
366 H A -1.2690
367 A A -0.8687
368 S A -0.8624
369 G A -1.4189
370 H A -2.2733
371 D A -2.8439
372 T A -2.1993
373 R A -2.5140
374 G A -1.5430
375 P A -1.0225
376 S A -0.7395
377 S A -1.2384
378 H A -1.8980
379 E A -2.2612
380 M A -1.1322
381 R A -2.0736
382 G A -1.5283
383 G A -0.8588
384 P A 0.0402
385 L A 0.6406
386 G A -0.6724
387 D A -2.0386
388 P A -1.7736
389 R A -1.1916
390 L A 1.5813
391 L A 2.8525
392 I A 2.4359
393 G A 0.2578
394 E A -2.1623
395 P A -2.3779
396 R A -2.6556
397 G A -1.3057
398 P A 0.0058
399 M A 1.4279
400 I A 1.3389
401 D A -1.4919
402 Q A -2.6789
403 R A -2.7059
404 G A -0.9405
405 L A 1.0513
406 P A 0.6548
407 M A 0.3156
408 D A -1.9572
409 G A -2.1231
410 R A -2.8058
411 G A -2.1199
412 G A -2.4012
413 R A -3.1295
414 D A -3.3882
415 S A -2.3985
416 R A -2.3203
417 A A -0.9913
418 M A -0.3844
419 E A -2.0045
420 T A -1.4908
421 R A -2.1688
422 A A -1.0258
423 M A -0.5213
424 E A -1.8161
425 T A -0.9328
426 E A -1.1520
427 V A 0.9254
428 L A 0.7867
429 E A -1.1448
430 T A -0.6862
431 R A -1.2404
432 V A 0.4880
433 M A -0.1497
434 E A -2.5336
435 R A -3.1572
436 R A -3.2801
437 G A -2.0040
438 M A -0.6531
439 E A -1.4620
440 T A -0.2631
441 C A 0.4440
442 A A 0.2449
443 M A 0.1566
444 E A -1.7806
445 T A -1.5778
446 R A -2.2248
447 G A -1.4950
448 M A -0.4714
449 E A -1.8364
450 A A -1.6283
451 R A -2.2734
452 G A -1.2280
453 M A -0.5227
454 D A -1.7023
455 A A -1.6291
456 R A -2.1189
457 G A -1.3406
458 L A 0.2110
459 E A -0.9037
460 M A -0.5870
461 R A -2.0159
462 G A -0.9237
463 P A -0.1792
464 V A 1.3652
465 P A 0.5122
466 S A -0.4196
467 S A -1.3430
468 R A -2.2696
469 G A -1.3289
470 P A -0.4534
471 M A 0.7085
472 T A 0.1169
473 G A -0.1133
474 G A -0.0389
475 I A 0.9815
476 Q A -0.5480
477 G A -0.8715
478 P A -1.0436
479 G A -0.4185
480 P A 0.1133
481 I A 1.5717
482 N A 0.4862
483 I A 1.5444
484 G A 0.3247
485 A A -0.0603
486 G A -0.8032
487 G A -0.8487
488 P A -0.9453
489 P A -1.1416
490 Q A -1.6473
491 G A -1.5986
492 P A -1.8618
493 R A -2.3532
494 Q A -1.4921
495 V A 0.5709
496 P A 0.6148
497 G A 0.7929
498 I A 1.5217
499 S A 0.7911
500 G A 0.5955
501 V A 0.9802
502 G A -0.2285
503 N A -1.3603
504 P A -1.2544
505 G A -0.9181
506 A A -0.2625
507 G A -0.2861
508 M A 0.1635
509 Q A -1.0334
510 G A -0.9712
511 T A -0.3753
512 G A 0.1020
513 I A 1.0766
514 Q A -0.5687
515 G A -0.7008
516 T A -0.5683
517 G A -0.3485
518 M A 0.1271
519 Q A -1.0562
520 G A -0.8822
521 A A -0.2268
522 G A -0.0108
523 I A 1.0954
524 Q A -0.7121
525 G A -0.8239
526 G A -1.0762
527 G A -0.7714
528 M A -0.0300
529 Q A -1.1260
530 G A -0.6798
531 A A -0.2337
532 G A -0.1052
533 I A 1.2592
534 Q A -0.1528
535 G A 0.4669
536 V A 1.7869
537 S A 0.9889
538 I A 1.5535
539 Q A -0.4563
540 G A -0.6640
541 G A -0.6102
542 G A -0.3190
543 I A 0.8622
544 Q A -0.7821
545 G A -0.6967
546 G A -0.6367
547 G A -0.3129
548 I A 0.9334
549 Q A -0.6068
550 G A -0.7828
551 A A -0.8070
552 S A -1.4019
553 K A -2.5428
554 Q A -2.3990
555 G A -1.7454
556 G A -1.3005
557 S A -1.1967
558 Q A -1.5701
559 P A -0.8041
560 S A -0.2725
561 S A 0.4924
562 F A 1.5197
563 S A 0.2657
564 P A -0.4380
565 G A -1.1865
566 Q A -1.7142
567 S A -1.0381
568 Q A -1.0430
569 V A 0.0203
570 T A -1.2212
571 P A -2.1010
572 Q A -3.1191
573 D A -3.2518
574 Q A -3.0508
575 E A -3.5160
576 K A -2.9801
577 A A -1.6589
578 A A -0.9297
579 L A 0.0028
580 I A 0.2857
581 M A 0.4028
582 Q A -0.4588
583 V A 0.3779
584 L A 0.3851
585 Q A -0.8587
586 L A -0.7167
587 T A -0.9124
588 A A -0.9672
589 D A -1.7749
590 Q A -1.2989
591 I A 0.0000
592 A A -0.4624
593 M A 0.3349
594 L A -0.3950
595 P A -0.9598
596 P A -1.7053
597 E A -2.8464
598 Q A -1.8367
599 R A -1.5396
600 Q A -1.5011
601 S A -0.6451
602 I A 0.0000
603 L A 0.5358
604 I A 0.9677
605 L A 0.0819
606 K A -0.8221
607 E A -2.2492
608 Q A -2.2344
609 I A -1.6707
610 Q A -2.8978
611 K A -3.3424
612 S A -2.0826
613 T A -1.6160
614 G A -1.4666
615 A A -0.8822
616 S A -0.3584
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018