Project name: NOTCH3_R133C_4D

Status: done

Started: 2026-04-24 08:04:35
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGACCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode Yes
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 minimization                                          (00:00:10)
[INFO]       CABS:     Running CABS flex simulation                                                (00:35:21)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (23:40:52)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (23:42:26)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (23:44:04)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (23:45:46)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (23:47:27)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (23:49:08)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (23:50:42)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (23:52:13)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (23:53:41)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (23:55:11)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (23:56:39)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (23:58:04)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (23:59:28)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:02:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:34)
Show buried residues

Minimal score value
-3.7755
Maximal score value
4.6144
Average score
-0.513
Total score value
-1190.6753

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 M A 0.0000
2 G A 0.0000
3 P A 0.0000
4 G A -0.3491
5 A A 0.1885
6 R A 0.0000
7 G A 0.0000
8 R A -2.1183
9 R A -3.3270
10 R A -2.6116
11 R A 0.0000
12 R A -2.7037
13 R A -1.0808
14 P A -0.5458
15 M A 0.0881
16 S A -0.1548
17 P A -0.2772
18 P A -0.1138
19 P A -0.1395
20 P A -0.2154
21 P A -0.2969
22 P A -0.0858
23 P A 0.1452
24 V A 0.8351
25 R A -0.1620
26 A A 0.0000
27 L A 0.5591
28 P A 0.0000
29 L A 2.1914
30 L A 2.3758
31 L A 3.0974
32 L A 3.0947
33 L A 2.3815
34 A A 0.4157
35 G A -0.5048
36 P A -1.1173
37 G A -0.8366
38 A A -0.4890
39 A A -0.0179
40 A A -0.0478
41 P A -0.6776
42 P A -0.8139
43 C A 0.0000
44 L A -0.8837
45 D A -2.0392
46 G A -1.1679
47 S A -0.9518
48 P A -0.5194
49 C A -0.3352
50 A A -0.9287
51 N A -1.5814
52 G A -1.0220
53 G A 0.0000
54 R A 0.0000
55 C A -0.6319
56 T A 0.0000
57 Q A -1.4098
58 L A -0.2846
59 P A -0.6537
60 S A -1.4223
61 R A -2.5268
62 E A -2.6145
63 A A -1.4473
64 A A -0.8312
65 C A 0.0000
66 L A 0.0000
67 C A -0.0102
68 P A -0.2921
69 P A -0.7877
70 G A -1.1252
71 W A -1.4083
72 V A 0.0000
73 G A -2.0501
74 E A -2.4197
75 R A -1.8736
76 C A 0.0000
77 Q A -1.3720
78 L A -1.4820
79 E A -2.5493
80 D A -3.0139
81 P A -1.8355
82 C A 0.0000
83 H A -1.5942
84 S A -1.3856
85 G A -1.1075
86 P A -0.5745
87 C A -0.6704
88 A A -0.8963
89 G A -1.4605
90 R A -2.5920
91 G A -1.4143
92 V A 0.0832
93 C A -0.5048
94 Q A -1.1805
95 S A -1.3605
96 S A -1.7194
97 V A 0.0000
98 V A -0.5174
99 A A -0.4011
100 G A -0.6823
101 T A -0.3516
102 A A -1.2497
103 R A -1.3345
104 F A 0.2088
105 S A 0.0322
106 C A -0.9145
107 R A -1.6720
108 C A -1.4567
109 P A -1.4565
110 R A -2.0716
111 G A -0.4781
112 F A 0.3538
113 R A -0.8343
114 G A -1.0893
115 P A -1.4085
116 D A -1.6891
117 C A -0.8976
118 S A -0.3614
119 L A 0.2114
120 P A 0.0000
121 D A -0.4882
122 P A 0.1939
123 C A 0.4488
124 L A 1.0109
125 S A 0.5408
126 S A 0.3874
127 P A -0.0205
128 C A -0.4722
129 A A -0.4420
130 H A -0.4627
131 G A -0.5363
132 A A -0.2732
133 C A 0.3642
134 C A 0.0000
135 S A -0.0380
136 V A 0.0000
137 G A -1.2583
138 P A -1.4229
139 D A -2.3417
140 G A -2.0488
141 R A -1.9125
142 F A -0.4951
143 L A 0.3085
144 C A 0.0321
145 S A -0.2421
146 C A -0.2393
147 P A -0.7705
148 P A -0.5153
149 G A -0.3611
150 Y A -0.3831
151 Q A -0.8646
152 G A -1.3109
153 R A -1.9650
154 S A -0.8646
155 C A 0.0000
156 R A 0.0000
157 S A -1.0041
158 D A -0.9998
159 V A 0.9025
160 D A -0.1693
161 E A 0.0000
162 C A 0.0000
163 R A -1.3663
164 V A 0.0900
165 G A -1.5236
166 E A -2.6991
167 P A -1.7758
168 C A -1.9615
169 R A -2.7442
170 H A -2.4181
171 G A -1.7099
172 G A -1.1894
173 T A -1.3799
174 C A -0.6574
175 L A 0.1356
176 N A -0.8005
177 T A -0.3276
178 P A -0.3348
179 G A -0.4945
180 S A 0.3356
181 F A 1.2915
182 R A -0.1362
183 C A 0.0000
184 Q A -1.6854
185 C A -1.6614
186 P A -0.9131
187 A A -0.2336
188 G A -0.1537
189 Y A -0.5517
190 T A -0.9733
191 G A -0.8529
192 P A -0.3070
193 L A 0.4702
194 C A 0.0000
195 E A -2.1720
196 N A -1.5948
197 P A -0.1325
198 A A 0.2987
199 V A 1.2793
200 P A 0.2126
201 C A 0.0000
202 A A 0.0000
203 P A 0.2582
204 S A -0.4267
205 P A -0.5399
206 C A -0.5761
207 R A -1.0503
208 N A -1.0318
209 G A -0.8470
210 G A -0.7410
211 T A -0.6814
212 C A -1.1642
213 R A -2.7227
214 Q A -2.7966
215 S A -2.1184
216 G A -2.0146
217 D A -2.2927
218 L A -1.4472
219 T A -1.1985
220 Y A -1.2467
221 D A -1.6873
222 C A -0.9498
223 A A -0.5994
224 C A -0.1076
225 L A 0.4267
226 P A -0.2677
227 G A -0.2726
228 F A 0.4670
229 E A -1.6612
230 G A -1.5548
231 Q A -1.7768
232 N A -1.8206
233 C A 0.0000
234 E A 0.0000
235 V A 0.0000
236 N A 0.0000
237 V A 0.3262
238 D A -1.8222
239 D A -1.9266
240 C A 0.0000
241 P A -0.4465
242 G A -0.7098
243 H A -0.8674
244 R A -1.3812
245 C A -0.0059
246 L A 0.7657
247 N A -0.4920
248 G A -1.0484
249 G A -1.4363
250 T A -1.3890
251 C A -0.3278
252 V A 0.3598
253 D A -0.5319
254 G A 0.0000
255 V A 0.1835
256 N A -1.0782
257 T A -0.3485
258 Y A 0.1087
259 N A -0.6648
260 C A -0.7146
261 Q A -1.0506
262 C A 0.0000
263 P A -1.0676
264 P A -1.7750
265 E A -2.1685
266 W A -0.9837
267 T A -0.5190
268 G A -0.2197
269 Q A -0.3932
270 F A 0.7586
271 C A 0.0000
272 T A -0.8347
273 E A 0.0000
274 D A -2.4401
275 V A -1.5302
276 D A -1.8853
277 E A 0.0000
278 C A -0.1998
279 Q A -0.9553
280 L A 0.1539
281 Q A -1.1452
282 P A -1.2078
283 N A -1.4872
284 A A -0.7286
285 C A -0.5507
286 H A -1.0505
287 N A -1.7674
288 G A -1.2884
289 G A 0.0000
290 T A -0.0357
291 C A 0.0000
292 F A 1.5755
293 N A 0.0682
294 T A 0.3784
295 L A 0.6471
296 G A -0.4190
297 G A -0.3104
298 H A -0.7520
299 S A -0.0383
300 C A 0.0000
301 V A 0.4012
302 C A 0.0000
303 V A -0.0139
304 N A 0.0000
305 G A -1.0677
306 W A 0.0000
307 T A -1.2742
308 G A -1.4983
309 E A -2.0427
310 S A -0.9589
311 C A 0.0000
312 S A -1.0663
313 Q A -1.8656
314 N A -1.9583
315 I A -1.1166
316 D A -2.1546
317 D A -1.3641
318 C A -0.4093
319 A A 0.4459
320 T A 0.6413
321 A A 0.8046
322 V A 1.3834
323 C A 0.9012
324 F A 0.0718
325 H A -0.7464
326 G A -0.7424
327 A A -0.3499
328 T A -0.1779
329 C A 0.0749
330 H A -0.9494
331 D A -1.4936
332 R A -1.5576
333 V A -0.0908
334 A A -0.6049
335 S A -0.7420
336 F A 0.0242
337 Y A 0.7685
338 C A 0.0000
339 A A 0.4258
340 C A 0.4369
341 P A 0.0065
342 M A 0.6212
343 G A 0.0000
344 K A -0.2988
345 T A 0.0000
346 G A 0.6933
347 L A 1.5358
348 L A 1.5652
349 C A 1.0122
350 H A -0.0986
351 L A 0.4052
352 D A -0.8521
353 D A -1.1229
354 A A -0.5828
355 C A 0.0000
356 V A 0.0353
357 S A -0.6406
358 N A 0.0000
359 P A 0.1453
360 C A -0.0467
361 H A -1.2314
362 E A -2.6051
363 D A -2.3493
364 A A -0.5222
365 I A 1.3568
366 C A 1.1804
367 D A 0.0437
368 T A 0.0000
369 N A 0.0000
370 P A 0.0000
371 V A 0.4772
372 N A -1.1685
373 G A -1.0302
374 R A -1.0920
375 A A -0.7012
376 I A 0.5799
377 C A 1.0493
378 T A 0.7668
379 C A 0.0770
380 P A -0.6637
381 P A -0.9839
382 G A 0.0904
383 F A 1.5367
384 T A 0.0000
385 G A 0.0000
386 G A -0.1238
387 A A -0.1084
388 C A 0.2796
389 D A -0.3979
390 Q A -0.4993
391 D A -0.8221
392 V A -0.7149
393 D A -2.1965
394 E A -1.8509
395 C A -0.0621
396 S A 0.3888
397 I A 1.7205
398 G A 0.4531
399 A A -0.1813
400 N A -0.9281
401 P A -0.8484
402 C A -1.1946
403 E A -1.7599
404 H A -1.5256
405 L A -0.4473
406 G A -1.2099
407 R A -1.9759
408 C A -0.0137
409 V A -0.2104
410 N A -1.2675
411 T A -1.5035
412 Q A -2.0300
413 G A -1.3321
414 S A 0.0000
415 F A 0.0000
416 L A -0.2380
417 C A 0.0000
418 Q A -0.9531
419 C A 0.0000
420 G A -1.2815
421 R A -0.9318
422 G A -0.4040
423 Y A -0.2244
424 T A -0.2752
425 G A 0.0000
426 P A -0.3570
427 R A -0.7337
428 C A 0.0000
429 E A -0.8985
430 T A -0.4067
431 D A 0.0000
432 V A 0.8842
433 N A -0.5841
434 E A -0.5807
435 C A 0.0254
436 L A 0.5466
437 S A 0.4082
438 G A 0.0891
439 P A -0.5008
440 C A -0.4821
441 R A -1.7300
442 N A -1.8585
443 Q A -1.4284
444 A A -0.8802
445 T A -0.3279
446 C A 0.2013
447 L A -0.5932
448 D A -1.2745
449 R A -1.2651
450 I A 0.3927
451 G A -0.4326
452 Q A -0.8620
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.0000
457 C A -0.6127
458 M A -0.3031
459 A A 0.4814
460 G A 0.0984
461 F A 1.3537
462 T A 0.3372
463 G A 0.1433
464 T A 0.0367
465 Y A 0.6134
466 C A 0.0000
467 E A -0.8836
468 V A -0.5168
469 D A -1.2068
470 I A -1.0868
471 D A -2.7294
472 E A -2.7635
473 C A -1.5580
474 Q A -1.7943
475 S A -0.9947
476 S A -0.5017
477 P A -0.4431
478 C A 0.1861
479 V A 0.3806
480 N A -0.8446
481 G A -0.8383
482 G A -0.5133
483 V A -0.0313
484 C A -0.6461
485 K A -1.3323
486 D A -2.1345
487 R A -2.0686
488 V A -0.1847
489 N A -1.4395
490 G A -1.2164
491 F A -0.9302
492 S A -0.5394
493 C A 0.1774
494 T A 0.0000
495 C A 0.4011
496 P A 0.1247
497 S A 0.0910
498 G A -0.1802
499 F A 0.5752
500 S A -0.0528
501 G A -0.0925
502 S A -0.0588
503 T A -0.0729
504 C A 0.0834
505 Q A -0.1458
506 L A 1.0074
507 D A 0.0000
508 V A -0.3102
509 D A -2.4765
510 E A -2.6747
511 C A 0.0000
512 A A -1.1695
513 S A -1.1362
514 T A -1.2280
515 P A -1.3193
516 C A -2.1638
517 R A -2.5060
518 N A -2.3746
519 G A -1.7083
520 A A -1.9202
521 K A -2.6236
522 C A -1.8131
523 V A -1.7233
524 D A -2.1823
525 Q A -2.1549
526 P A -1.3478
527 D A -1.7954
528 G A -1.3404
529 Y A -1.3408
530 E A -2.1140
531 C A -1.5744
532 R A -2.2082
533 C A 0.0000
534 A A -1.3894
535 E A -1.8187
536 G A -1.3494
537 F A 0.0000
538 E A -2.3609
539 G A 0.0000
540 T A -0.8557
541 L A 0.1876
542 C A 0.0000
543 D A -2.8318
544 R A -2.8689
545 N A 0.0000
546 V A 0.9299
547 D A 0.0000
548 D A -1.6438
549 C A -0.8649
550 S A -1.4496
551 P A -1.7781
552 D A -2.4151
553 P A -1.5058
554 C A -1.7169
555 H A -1.9999
556 H A -1.8828
557 G A -1.2050
558 R A -1.6270
559 C A -0.8546
560 V A 0.2226
561 D A 0.1710
562 G A 0.9505
563 I A 2.2519
564 A A 0.9621
565 S A 0.1252
566 F A 0.0000
567 S A -0.7415
568 C A -1.0802
569 A A -0.4469
570 C A -0.3303
571 A A -0.0925
572 P A -0.4698
573 G A -1.1054
574 Y A -0.8723
575 T A -1.3807
576 G A -1.2494
577 T A -1.7446
578 R A -2.5295
579 C A 0.0000
580 E A -3.0867
581 S A -2.1380
582 Q A -2.1185
583 V A -1.6844
584 D A -2.6184
585 E A -1.8540
586 C A -1.1298
587 R A -2.0753
588 S A -1.9694
589 Q A -2.3474
590 P A -1.5653
591 C A 0.0000
592 R A -2.2012
593 H A -2.0885
594 G A -2.1357
595 G A -2.0852
596 K A -2.1635
597 C A -0.8325
598 L A -0.0806
599 D A -1.5282
600 L A -0.2362
601 V A -0.9224
602 D A -2.0652
603 K A -1.3620
604 Y A 0.0838
605 L A 0.3213
606 C A -1.0261
607 R A -1.7107
608 C A -1.4785
609 P A -0.8181
610 S A -0.5878
611 G A -0.5554
612 T A 0.2716
613 T A 0.6405
614 G A 1.1571
615 V A 1.2147
616 N A -0.1581
617 C A -0.0172
618 E A 0.0000
619 V A 1.9746
620 N A 0.0000
621 I A 1.4272
622 D A -0.8065
623 D A -2.1299
624 C A 0.0000
625 A A -0.6430
626 S A -0.9673
627 N A -1.8792
628 P A -0.5523
629 C A -0.0420
630 T A -0.1619
631 F A 0.0650
632 G A 0.1707
633 V A 0.9026
634 C A -0.3400
635 R A -2.0374
636 D A 0.0000
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2263 L A 1.1110
2264 S A 0.5328
2265 D A -0.2282
2266 W A 0.0000
2267 S A 0.0000
2268 E A 0.0000
2269 S A -0.0702
2270 T A 0.0000
2271 P A -0.5831
2272 S A -0.6094
2273 P A -0.4594
2274 A A -0.4352
2275 T A 0.0000
2276 A A -0.5305
2277 T A 0.0000
2278 G A 0.0000
2279 A A 0.0000
2280 M A 0.0000
2281 A A -0.3123
2282 T A -0.2853
2283 T A -0.3872
2284 T A 0.0000
2285 G A -0.3469
2286 A A 0.1613
2287 L A 1.1238
2288 P A 0.5154
2289 A A -0.0073
2290 Q A -0.8217
2291 P A 0.0000
2292 L A 0.6524
2293 P A 0.5578
2294 L A 1.3629
2295 S A 1.0988
2296 V A 1.6724
2297 P A 0.6481
2298 S A 0.2439
2299 S A 0.3090
2300 L A 1.6288
2301 A A 0.4235
2302 Q A -0.0706
2303 A A 0.0143
2304 Q A -1.0204
2305 T A -0.5378
2306 Q A -1.1552
2307 L A -1.3669
2308 G A -1.9688
2309 P A -1.1879
2310 Q A -1.4414
2311 P A -0.8802
2312 E A -1.2588
2313 V A -0.0042
2314 T A -0.8672
2315 P A -1.1741
2316 K A -1.9381
2317 R A -2.5870
2318 Q A -1.7813
2319 V A -0.4574
2320 L A 0.2977
2321 A A 0.1816
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CABS-flex predictions of flexibility of input structure

In dynamic mode, A4D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted by CABS-flex method, models are numbered from 0 to 11) and the input model. Their A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.513 in this case) with the input model (the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).

Model
Average A4D Score
model_8 -0.513 View CSV PDB
model_1 -0.5245 View CSV PDB
model_4 -0.5286 View CSV PDB
model_6 -0.5302 View CSV PDB
model_9 -0.5374 View CSV PDB
model_0 -0.548 View CSV PDB
CABS_average -0.5598 View CSV PDB
model_3 -0.5606 View CSV PDB
model_7 -0.5676 View CSV PDB
model_10 -0.581 View CSV PDB
model_5 -0.5852 View CSV PDB
model_2 -0.6086 View CSV PDB
model_11 -0.633 View CSV PDB
input -0.7512 View CSV PDB