Project name: NT11??? [mutate: FR178A]

Status: done

Started: 2026-03-01 13:36:25
Settings
Chain sequence(s) A: MVSEPHDYNYEKANTPHGGVLKDLFARDAAKHDELLNEAQSLPKLKLSDRQLCDLELILNGGFSPLEGFLSEKDYIGVRDNMALADGSLWAIPINLDVSKDEIDKLSIAPGRRIVLQDSRDDNLLAIITVEDVYQPDKALEAKNVFGGDPEHPAIVYLNESVKDYYVGGKVQAISRPFHYDYVGLRHTPAELRAEFAKLGWTRVVAFQTRNPMHRAHRELTVRAARSQRANVLIQPVVGLTKPGDIDHFTRVRVYKALLPRYPNGMATLSLLPLAMRMGGPREAVWHACIRKNYGASHFIIGRDHAGPGKNSKGVDFYGPYDAQTLVESVKDKLDIEIVPFQMMTYLPDKDIYMPKDEVPEGVKTLDISGTELRRRLRLGLPIPEWFSYPEVVKVLRESNPPSTNITFHASALTRSERTELRNQRGLTIWLTGLSASGKSTLAVELEHQLVRDRRVHAYRLDGDNIRFGLNKDLGFSEADRNENIRRIAEVAKLFADSNSIAITSFISPYRKDRDTARQLHEVATPGEETGLPFVEVYVDVPVEVAEQRDPKGLYKKAREGVIKEFTGISAPYEAPANPEVHVKNYELPVQDAVKQIIDYLDTKGYLPAKKEKLAAALEHHHHHH
input PDB
Selected Chain(s) A
Distance of aggregation 5 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues FR178A
Energy difference between WT (input) and mutated protein (by FoldX) -0.739373 kcal/mol
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:06:41)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:07:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:21)
Show buried residues

Minimal score value
-2.4528
Maximal score value
1.9281
Average score
-0.3421
Total score value
-213.7909

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 1.3805
2 V A 1.9281
3 S A -0.2228
4 E A -1.9056
5 P A -0.7724
6 H A -1.3676
7 D A -1.7445
8 Y A 0.6494
9 N A -0.9236
10 Y A 0.1107
11 E A -1.8317
12 K A -1.0428
13 A A -0.1626
14 N A -0.2185
15 T A -0.0969
16 P A -0.0387
17 H A 0.0000
18 G A -0.5495
19 G A -0.2744
20 V A 1.4955
21 L A 0.4466
22 K A -0.2688
23 D A -0.3090
24 L A 0.0000
25 F A 0.3391
26 A A -0.0318
27 R A -0.8292
28 D A 0.0000
29 A A 0.0690
30 A A -0.0695
31 K A -0.8629
32 H A -0.9683
33 D A -2.2079
34 E A -2.1419
35 L A 0.0000
36 L A 0.3393
37 N A -1.2718
38 E A -0.7913
39 A A 0.0000
40 Q A -1.2366
41 S A -0.3831
42 L A 0.2028
43 P A -0.0930
44 K A -0.5084
45 L A 0.0000
46 K A -1.0804
47 L A 0.0000
48 S A -0.4146
49 D A -1.8525
50 R A -0.5795
51 Q A 0.0000
52 L A 0.0000
53 C A 0.0000
54 D A 0.0000
55 L A 0.0000
56 E A 0.0000
57 L A 0.0000
58 I A 0.0000
59 L A 0.0000
60 N A 0.0000
61 G A 0.0000
62 G A 0.0000
63 F A 0.0000
64 S A 0.0000
65 P A -0.0306
66 L A 0.0000
67 E A -0.3508
68 G A 0.0000
69 F A 0.0000
70 L A 0.0000
71 S A -0.2196
72 E A -1.3946
73 K A -1.9611
74 D A -0.6566
75 Y A 0.0000
76 I A 0.6176
77 G A 0.0463
78 V A 0.0000
79 R A 0.0000
80 D A -1.0395
81 N A -1.3991
82 M A -0.1111
83 A A 0.0294
84 L A 0.0000
85 A A -0.2972
86 D A -1.8355
87 G A -0.6439
88 S A -0.1019
89 L A 0.0000
90 W A 0.0000
91 A A 0.0000
92 I A 0.0000
93 P A 0.0000
94 I A 0.0000
95 N A -0.1313
96 L A 0.0000
97 D A -0.1965
98 V A 0.0000
99 S A -0.3459
100 K A -2.0322
101 D A -2.1489
102 E A -0.5535
103 I A -0.1199
104 D A -2.0628
105 K A -1.9875
106 L A -0.1675
107 S A -0.3231
108 I A 0.0000
109 A A -0.0156
110 P A -0.3334
111 G A -0.6563
112 R A -0.9610
113 R A -0.5266
114 I A 0.0000
115 V A 0.0000
116 L A 0.0000
117 Q A 0.0000
118 D A 0.0000
119 S A -0.4782
120 R A -1.7375
121 D A -1.7481
122 D A -2.0065
123 N A -0.5816
124 L A 0.1171
125 L A 0.0000
126 A A 0.0000
127 I A 0.0000
128 I A 0.0000
129 T A -0.0709
130 V A 0.0000
131 E A -1.8709
132 D A -0.5310
133 V A 0.3926
134 Y A 0.0000
135 Q A -1.1739
136 P A 0.0000
137 D A -1.7236
138 K A -0.5759
139 A A 0.0848
140 L A 0.4380
141 E A 0.0000
142 A A 0.0000
143 K A -1.8564
144 N A -0.6557
145 V A 0.0000
146 F A 0.0000
147 G A -0.7042
148 G A -0.6848
149 D A -0.5296
150 P A -0.4778
151 E A -0.8487
152 H A 0.0000
153 P A -0.0497
154 A A 0.0000
155 I A 0.0000
156 V A 0.7609
157 Y A 0.4367
158 L A 0.0000
159 N A -1.5983
160 E A -2.0766
161 S A -0.4495
162 V A 0.0907
163 K A -0.8573
164 D A -1.8491
165 Y A -0.2727
166 Y A 0.0000
167 V A 0.0000
168 G A 0.0000
169 G A 0.0000
170 K A -1.0637
171 V A 0.0000
172 Q A -0.2038
173 A A 0.0000
174 I A 0.0000
175 S A -0.1454
176 R A -0.6820
177 P A 0.0000
178 R A -1.5607 mutated: FR178A
179 H A -0.2589
180 Y A 1.2760
181 D A 0.0000
182 Y A 0.4822
183 V A 1.7187
184 G A -0.1094
185 L A 0.1035
186 R A -0.1771
187 H A -0.1798
188 T A 0.0000
189 P A 0.0000
190 A A -0.1757
191 E A -1.0142
192 L A 0.0000
193 R A 0.0000
194 A A -0.0812
195 E A -0.4983
196 F A 0.0000
197 A A -0.3400
198 K A -1.5568
199 L A 0.3919
200 G A -0.3248
201 W A 0.0000
202 T A -0.3140
203 R A -1.4024
204 V A 0.0000
205 V A 0.0000
206 A A 0.0000
207 F A 0.0000
208 Q A -0.1161
209 T A 0.0000
210 R A -0.4550
211 N A -0.6485
212 P A 0.0000
213 M A 0.0000
214 H A 0.0000
215 R A -0.3884
216 A A -0.0983
217 H A -0.2581
218 R A -0.4105
219 E A -0.2601
220 L A 0.0881
221 T A 0.0000
222 V A 0.0000
223 R A -0.8012
224 A A 0.0000
225 A A 0.0000
226 R A -2.0777
227 S A -0.5891
228 Q A -0.6118
229 R A -2.0820
230 A A -0.5388
231 N A -0.2176
232 V A 0.0000
233 L A 0.0000
234 I A 0.0000
235 Q A 0.0000
236 P A 0.0000
237 V A 0.0000
238 V A 0.0000
239 G A -0.0844
240 L A 0.2175
241 T A -0.0699
242 K A -0.5971
243 P A -0.4374
244 G A -0.5924
245 D A -0.4670
246 I A 0.2137
247 D A -0.1878
248 H A -0.2103
249 F A 0.3223
250 T A 0.0000
251 R A 0.0000
252 V A 0.0000
253 R A 0.0000
254 V A 0.0000
255 Y A 0.0000
256 K A -0.7809
257 A A -0.1347
258 L A 0.0000
259 L A 0.2447
260 P A -0.3334
261 R A -0.7745
262 Y A 0.0000
263 P A -0.4178
264 N A -1.3918
265 G A -0.6774
266 M A 0.0343
267 A A 0.0293
268 T A -0.0071
269 L A 0.0000
270 S A 0.0000
271 L A 0.0000
272 L A 0.0000
273 P A 0.0000
274 L A 0.0000
275 A A 0.0000
276 M A 0.0000
277 R A 0.0000
278 M A 0.0000
279 G A 0.0000
280 G A 0.0000
281 P A -0.0608
282 R A -0.1893
283 E A 0.0000
284 A A 0.0000
285 V A 0.0000
286 W A 0.0000
287 H A 0.0000
288 A A 0.0000
289 C A 0.0000
290 I A 0.0000
291 R A 0.0000
292 K A 0.0000
293 N A 0.0000
294 Y A 0.0000
295 G A 0.0000
296 A A 0.0000
297 S A -0.0310
298 H A 0.0000
299 F A 0.0000
300 I A 0.0000
301 I A 0.0000
302 G A -0.2749
303 R A -1.3631
304 D A -0.9403
305 H A 0.0000
306 A A 0.0060
307 G A 0.0000
308 P A 0.0000
309 G A -0.4676
310 K A -2.0262
311 N A -0.5117
312 S A -0.5442
313 K A -1.7920
314 G A -0.2892
315 V A 1.3927
316 D A -1.6673
317 F A 0.0044
318 Y A 0.1887
319 G A -0.1333
320 P A -0.0602
321 Y A 0.6596
322 D A -0.7633
323 A A 0.0000
324 Q A -0.1507
325 T A -0.0393
326 L A 0.2982
327 V A 0.0000
328 E A -1.8580
329 S A -0.5053
330 V A -0.1396
331 K A -1.9199
332 D A -2.3445
333 K A -1.7869
334 L A 0.0000
335 D A -1.7894
336 I A 0.0000
337 E A -1.7738
338 I A -0.0786
339 V A 0.0000
340 P A -0.2154
341 F A 0.1050
342 Q A -0.0762
343 M A 0.9002
344 M A 0.0000
345 T A 0.0000
346 Y A 0.0000
347 L A 0.0000
348 P A -0.5608
349 D A -2.1036
350 K A -2.3402
351 D A -1.9688
352 I A 0.4014
353 Y A 0.0000
354 M A 0.1459
355 P A -0.3100
356 K A -2.0300
357 D A -2.4254
358 E A -2.1018
359 V A -0.1286
360 P A -0.4549
361 E A -1.9334
362 G A -0.7079
363 V A 0.0819
364 K A -1.6171
365 T A -0.2684
366 L A 0.0263
367 D A -1.6823
368 I A -0.1283
369 S A -0.2193
370 G A -0.5110
371 T A -0.2227
372 E A -0.4943
373 L A 0.0000
374 R A -1.3947
375 R A -1.3507
376 R A -0.4835
377 L A 0.0000
378 R A -1.6655
379 L A 0.6162
380 G A 0.0124
381 L A 0.3840
382 P A -0.1245
383 I A 0.1461
384 P A -0.3427
385 E A -1.7984
386 W A -0.1299
387 F A 0.2270
388 S A 0.0000
389 Y A 0.0000
390 P A -0.3463
391 E A -0.5995
392 V A 0.0000
393 V A 0.0000
394 K A -0.5214
395 V A 0.0000
396 L A 0.0000
397 R A -0.3518
398 E A 0.0000
399 S A 0.0000
400 N A 0.0000
401 P A 0.0000
402 P A -0.0491
403 S A -0.0865
404 T A -0.3145
405 N A -1.1436
406 I A 0.5321
407 T A 0.4337
408 F A 1.8587
409 H A -0.0583
410 A A -0.0253
411 S A -0.0314
412 A A 0.1662
413 L A 0.7882
414 T A 0.0000
415 R A 0.0000
416 S A 0.0000
417 E A 0.0000
418 R A -0.3904
419 T A 0.0000
420 E A 0.0000
421 L A -0.0835
422 R A -1.9569
423 N A -1.2087
424 Q A 0.0000
425 R A -0.2725
426 G A 0.0000
427 L A 0.0000
428 T A 0.0000
429 I A 0.0000
430 W A 0.0000
431 L A 0.0000
432 T A 0.0000
433 G A 0.0000
434 L A 0.0000
435 S A -0.0455
436 A A 0.0053
437 S A 0.0000
438 G A -0.1136
439 K A 0.0000
440 S A -0.2251
441 T A -0.1066
442 L A 0.0000
443 A A 0.0000
444 V A 0.6763
445 E A -0.3711
446 L A 0.0000
447 E A -0.3775
448 H A -0.8651
449 Q A 0.0000
450 L A 0.0000
451 V A 0.1297
452 R A -1.8540
453 D A -1.0837
454 R A -0.6658
455 R A -1.8057
456 V A 0.0000
457 H A -0.9901
458 A A 0.0000
459 Y A 0.5568
460 R A -0.2686
461 L A 0.0000
462 D A -0.2855
463 G A -0.7504
464 D A -1.9684
465 N A -0.9257
466 I A 0.0000
467 R A -0.6838
468 F A 1.6706
469 G A 0.0213
470 L A 0.6770
471 N A 0.0000
472 K A -2.0234
473 D A -2.0966
474 L A 0.0000
475 G A -0.0998
476 F A 1.8388
477 S A -0.0856
478 E A -1.8286
479 A A -0.3466
480 D A -0.5087
481 R A -0.7049
482 N A -1.2524
483 E A -0.7548
484 N A -0.3854
485 I A 0.0000
486 R A -0.9424
487 R A -0.4802
488 I A 0.0000
489 A A 0.0000
490 E A -0.8053
491 V A 0.1499
492 A A 0.0000
493 K A 0.0147
494 L A 1.5913
495 F A 0.8239
496 A A 0.0000
497 D A -0.0781
498 S A -0.1702
499 N A 0.0000
500 S A 0.0000
501 I A 0.0000
502 A A 0.0000
503 I A 0.0000
504 T A 0.0000
505 S A 0.0138
506 F A 0.3095
507 I A 0.6173
508 S A 0.0000
509 P A 0.0791
510 Y A 0.2467
511 R A -1.3802
512 K A -1.9436
513 D A -0.4962
514 R A 0.0000
515 D A -1.8190
516 T A -0.3576
517 A A 0.0000
518 R A -0.6575
519 Q A -1.3811
520 L A 0.0703
521 H A 0.0000
522 E A -1.6320
523 V A 1.4392
524 A A 0.3360
525 T A -0.0510
526 P A -0.2680
527 G A -0.1415
528 E A 0.0000
529 E A -0.1956
530 T A -0.0545
531 G A -0.1601
532 L A 0.0000
533 P A -0.0246
534 F A 0.0000
535 V A 0.0000
536 E A 0.0000
537 V A 0.0000
538 Y A 0.0817
539 V A 0.0000
540 D A -0.2590
541 V A 0.0000
542 P A -0.0208
543 V A 0.0620
544 E A -1.6829
545 V A 0.0226
546 A A 0.0000
547 E A -0.5243
548 Q A -1.5829
549 R A -2.0913
550 D A -0.5799
551 P A -0.5902
552 K A -1.7611
553 G A -0.2872
554 L A 0.5474
555 Y A 0.0000
556 K A -1.7459
557 K A -1.3882
558 A A 0.0000
559 R A -2.1735
560 E A -2.2821
561 G A -0.2043
562 V A 1.8278
563 I A 0.5120
564 K A -1.8804
565 E A -1.7947
566 F A -0.0787
567 T A 0.0070
568 G A -0.0372
569 I A 0.4205
570 S A -0.2851
571 A A -0.2346
572 P A -0.2079
573 Y A 0.0185
574 E A -0.6945
575 A A -0.1211
576 P A -0.0121
577 A A -0.1755
578 N A -1.2717
579 P A -0.3720
580 E A -0.5145
581 V A 0.0000
582 H A -0.7460
583 V A 0.0000
584 K A -0.6897
585 N A -0.2353
586 Y A 0.1232
587 E A -1.6065
588 L A 0.3322
589 P A 0.0141
590 V A 0.2253
591 Q A -1.4145
592 D A -2.0208
593 A A 0.0000
594 V A 0.0000
595 K A -1.5392
596 Q A -1.0504
597 I A 0.0000
598 I A 0.0000
599 D A -1.7605
600 Y A -0.1620
601 L A 0.0000
602 D A -0.7849
603 T A -0.3924
604 K A -1.0498
605 G A -0.3046
606 Y A 0.1292
607 L A 0.0000
608 P A -0.0354
609 A A -0.2613
610 K A -2.0057
611 K A -2.3585
612 E A -2.4528
613 K A -1.8045
614 L A 0.9660
615 A A 0.2648
616 A A 0.0339
617 A A 0.2830
618 L A 1.0526
619 E A -1.7524
620 H A -1.4982
621 H A -1.3497
622 H A -1.3491
623 H A -1.3475
624 H A -1.3478
625 H A -1.1698
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Laboratory of Theory of Biopolymers 2018