Project name: NOTCH3_WT_4D

Status: done

Started: 2026-04-24 08:05:23
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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 minimization                                          (00:00:02)
[INFO]       CABS:     Running CABS flex simulation                                                (00:37:05)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (23:32:40)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (23:34:19)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (23:35:52)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (23:37:24)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (23:38:51)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (23:40:25)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (23:41:59)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (23:43:31)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (23:45:09)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (23:46:45)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (23:48:28)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (23:50:01)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (23:51:28)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (23:54:20)
[INFO]       Main:     Simulation completed successfully.                                          (23:55:42)
Show buried residues

Minimal score value
-5.1007
Maximal score value
4.2599
Average score
-0.5635
Total score value
-1307.791

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 0.1147
2 G A 0.0000
3 P A -0.9866
4 G A -0.7227
5 A A 0.0000
6 R A -3.1263
7 G A -3.1915
8 R A -4.7384
9 R A -4.6377
10 R A -5.1007
11 R A -5.0770
12 R A -4.8342
13 R A -3.9605
14 P A -2.3564
15 M A -1.4840
16 S A -0.8748
17 P A -0.6991
18 P A -0.6064
19 P A 0.0000
20 P A -0.6606
21 P A -0.5061
22 P A -0.4819
23 P A 0.0000
24 V A 0.1049
25 R A -0.9848
26 A A -0.3599
27 L A 0.0000
28 P A 0.2030
29 L A 0.4802
30 L A 1.4344
31 L A 2.2250
32 L A 2.0862
33 L A 1.3645
34 A A 0.2101
35 G A -0.5656
36 P A -0.7068
37 G A -0.8353
38 A A -0.4581
39 A A -0.4892
40 A A 0.0000
41 P A -0.6661
42 P A -0.9554
43 C A 0.0000
44 L A -0.9181
45 D A -2.0028
46 G A -1.4300
47 S A -0.9937
48 P A -1.2810
49 C A 0.0000
50 A A -1.6070
51 N A -2.5037
52 G A -2.2209
53 G A 0.0000
54 R A -2.3286
55 C A 0.0000
56 T A 0.0000
57 Q A -1.7919
58 L A 0.0000
59 P A -0.7769
60 S A -1.1916
61 R A -2.2918
62 E A -2.5757
63 A A -1.6846
64 A A 0.0000
65 C A 0.0000
66 L A -1.2345
67 C A 0.0000
68 P A -1.3921
69 P A -1.1966
70 G A -1.2650
71 W A -0.9731
72 V A 0.0000
73 G A -1.1721
74 E A -2.1485
75 R A -1.2599
76 C A 0.0000
77 Q A -0.5379
78 L A -0.4020
79 E A -1.8389
80 D A -1.7860
81 P A -1.6043
82 C A -1.5868
83 H A -1.4101
84 S A -0.9743
85 G A -1.0149
86 P A -0.7728
87 C A -0.6944
88 A A -0.7390
89 G A -1.2110
90 R A -1.8645
91 G A -0.9379
92 V A 0.0772
93 C A -0.2466
94 Q A -1.2347
95 S A -1.2461
96 S A -0.6621
97 V A -0.2067
98 V A 1.1230
99 A A 0.4219
100 G A 0.0701
101 T A -0.0135
102 A A -0.7427
103 R A -1.9498
104 F A -1.8675
105 S A -1.4816
106 C A 0.0000
107 R A -2.0266
108 C A 0.0000
109 P A -1.2510
110 R A -2.0091
111 G A -0.9155
112 F A 0.1439
113 R A -0.9081
114 G A -1.1256
115 P A -1.4534
116 D A -2.4400
117 C A -1.4287
118 S A -0.7117
119 L A 0.0000
120 P A -0.2678
121 D A -0.4064
122 P A -0.0822
123 C A 0.4726
124 L A 1.1989
125 S A 0.4964
126 S A -0.0233
127 P A -0.4027
128 C A 0.0000
129 A A -0.7218
130 H A -1.5294
131 G A -1.3957
132 A A -1.4981
133 R A -1.8316
134 C A -0.0917
135 S A -0.0091
136 V A 0.0000
137 G A -1.3937
138 P A -1.5090
139 D A -2.7660
140 G A -2.3190
141 R A -1.8944
142 F A 0.7842
143 L A 0.9741
144 C A -0.1300
145 S A -0.8459
146 C A 0.0000
147 P A -0.4644
148 P A -0.6394
149 G A -0.2974
150 Y A -0.5493
151 Q A -1.7141
152 G A -1.7574
153 R A -2.2552
154 S A -1.1892
155 C A -0.7717
156 R A -1.4808
157 S A -1.2114
158 D A -0.8593
159 V A 0.1692
160 D A -1.5116
161 E A -1.5482
162 C A -1.4165
163 R A -2.1256
164 V A -0.8577
165 G A -1.0934
166 E A -2.6339
167 P A -2.1294
168 C A -2.3586
169 R A -3.2312
170 H A -2.6174
171 G A -1.8676
172 G A -1.4708
173 T A 0.0000
174 C A -1.7165
175 L A -0.7530
176 N A -1.3518
177 T A -0.9581
178 P A -0.7370
179 G A -0.7208
180 S A -0.6956
181 F A -0.7355
182 R A -1.8109
183 C A -1.7727
184 Q A -1.8243
185 C A -1.5633
186 P A -0.5551
187 A A -0.3939
188 G A -0.5466
189 Y A -0.6494
190 T A -1.4144
191 G A -1.3046
192 P A -1.2600
193 L A -1.6503
194 C A 0.0000
195 E A -2.7068
196 N A -1.7895
197 P A -0.5622
198 A A -0.1917
199 V A 0.0276
200 P A -0.4732
201 C A -0.5158
202 A A -0.6052
203 P A -0.6656
204 S A -0.9210
205 P A -0.7395
206 C A -0.9579
207 R A -2.0733
208 N A -2.2682
209 G A -1.5592
210 G A -1.2383
211 T A -0.9950
212 C A -1.4138
213 R A -2.9331
214 Q A -2.8021
215 S A -1.9990
216 G A -1.5357
217 D A -1.9415
218 L A -0.6190
219 T A -1.5159
220 Y A 0.0000
221 D A -2.9832
222 C A 0.0000
223 A A -1.3277
224 C A 0.0000
225 L A 0.0000
226 P A 0.0000
227 G A -1.0365
228 F A -0.6523
229 E A -1.9829
230 G A -1.9962
231 Q A -2.8159
232 N A -2.3093
233 C A 0.0000
234 E A -2.0159
235 V A -1.6356
236 N A -1.9902
237 V A 0.0000
238 D A -2.4701
239 D A -1.4847
240 C A -0.3821
241 P A -0.5765
242 G A -0.8365
243 H A -1.0827
244 R A -1.6017
245 C A -0.4076
246 L A 1.0558
247 N A 0.2663
248 G A -0.6184
249 G A -0.9431
250 T A -0.7930
251 C A -0.2167
252 V A 0.0000
253 D A -0.8608
254 G A -1.2984
255 V A 0.0000
256 N A -0.0625
257 T A 0.0000
258 Y A 0.1256
259 N A 0.0000
260 C A 0.0000
261 Q A 0.0000
262 C A 0.0000
263 P A 0.0000
264 P A 0.0000
265 E A 0.0000
266 W A 0.0000
267 T A -0.9233
268 G A 0.0000
269 Q A -0.8405
270 F A 0.2055
271 C A -0.3166
272 T A -0.4470
273 E A -1.1948
274 D A -1.8295
275 V A -0.4761
276 D A -0.8732
277 E A 0.0000
278 C A -0.3699
279 Q A -1.2043
280 L A 0.0000
281 Q A -1.0842
282 P A -0.9414
283 N A -1.7293
284 A A -0.9093
285 C A -1.0244
286 H A -1.0197
287 N A -0.7867
288 G A -0.4541
289 G A 0.0439
290 T A 0.6454
291 C A 1.0878
292 F A 1.7034
293 N A 0.4908
294 T A 0.9214
295 L A 1.5093
296 G A 0.6923
297 G A 0.3631
298 H A 0.0000
299 S A 0.2941
300 C A 0.0000
301 V A 0.6060
302 C A -0.3821
303 V A -0.5248
304 N A -0.8594
305 G A -0.9469
306 W A 0.0000
307 T A -0.8035
308 G A -1.2942
309 E A -1.5240
310 S A -0.7513
311 C A 0.0000
312 S A -0.9621
313 Q A 0.0000
314 N A 0.0000
315 I A 0.2419
316 D A -1.4749
317 D A 0.0000
318 C A 0.1511
319 A A 0.6745
320 T A 0.3747
321 A A 0.9544
322 V A 1.7592
323 C A 1.7909
324 F A 1.8801
325 H A 0.1857
326 G A -0.3115
327 A A 0.1180
328 T A 0.0608
329 C A 0.3387
330 H A -0.4677
331 D A 0.0000
332 R A -1.4191
333 V A -0.5504
334 A A -0.6110
335 S A -0.5212
336 F A 0.3428
337 Y A 0.7082
338 C A 0.0000
339 A A 0.2291
340 C A 0.0000
341 P A -0.3874
342 M A -0.1976
343 G A -1.1186
344 K A -2.0294
345 T A 0.0000
346 G A 0.0000
347 L A 0.0000
348 L A 2.5892
349 C A 1.6367
350 H A 0.9605
351 L A 0.0310
352 D A -1.5716
353 D A -2.1867
354 A A -0.7764
355 C A 0.5476
356 V A 0.3949
357 S A -0.1727
358 N A -0.5859
359 P A -0.6300
360 C A -0.7144
361 H A -1.8767
362 E A -2.8195
363 D A -2.3620
364 A A -0.6414
365 I A 1.3860
366 C A 0.6632
367 D A -0.3243
368 T A 0.0000
369 N A -1.0800
370 P A -1.0517
371 V A 0.0325
372 N A -1.4028
373 G A -1.4715
374 R A -1.8817
375 A A -1.0187
376 I A 0.3963
377 C A 0.0000
378 T A 0.5706
379 C A 0.0000
380 P A -0.4337
381 P A -0.5594
382 G A -0.8691
383 F A 0.0000
384 T A -0.5818
385 G A -0.2434
386 G A -0.6469
387 A A -0.3623
388 C A 0.0000
389 D A -0.9805
390 Q A 0.0000
391 D A -0.9021
392 V A -0.8518
393 D A -1.5290
394 E A -1.6598
395 C A -0.0327
396 S A 0.6424
397 I A 1.8480
398 G A 0.6123
399 A A 0.1694
400 N A -0.5437
401 P A -0.8066
402 C A -0.2424
403 E A -0.3670
404 H A 0.2538
405 L A 0.7394
406 G A -1.0067
407 R A -1.6982
408 C A 0.1632
409 V A 0.0000
410 N A -0.8478
411 T A -1.2236
412 Q A -1.4138
413 G A -1.0539
414 S A -0.2776
415 F A 0.0000
416 L A 0.6662
417 C A 0.0000
418 Q A -1.0511
419 C A 0.0000
420 G A -1.3231
421 R A -1.1352
422 G A -0.5557
423 Y A -0.5225
424 T A 0.0000
425 G A -0.5016
426 P A -0.4774
427 R A -1.1382
428 C A -0.6358
429 E A 0.0000
430 T A 0.0000
431 D A -0.8514
432 V A -0.3329
433 N A -0.1417
434 E A 0.1542
435 C A 0.3982
436 L A 1.3105
437 S A 0.2200
438 G A 0.0274
439 P A -0.4956
440 C A 0.0000
441 R A -2.5844
442 N A -2.4200
443 Q A -1.7289
444 A A -0.9532
445 T A -0.3276
446 C A 0.0100
447 L A -0.3549
448 D A 0.0000
449 R A -0.6986
450 I A -0.0877
451 G A 0.0000
452 Q A 0.0000
453 F A 0.3401
454 T A 0.0000
455 C A 0.8508
456 I A 1.1783
457 C A 0.2614
458 M A 0.2177
459 A A -0.3756
460 G A -0.2607
461 F A 1.3903
462 T A 0.2872
463 G A 0.1606
464 T A 0.3161
465 Y A 1.0823
466 C A 0.0000
467 E A -0.8001
468 V A -0.5279
469 D A -1.7047
470 I A -1.4980
471 D A -3.2512
472 E A -3.5915
473 C A -2.4495
474 Q A -2.0851
475 S A -1.3457
476 S A -0.7391
477 P A -0.0521
478 C A 0.6105
479 V A -0.2666
480 N A -1.3670
481 G A -0.4233
482 G A 0.1264
483 V A 1.0642
484 C A -0.0910
485 K A -1.7922
486 D A -3.3886
487 R A -3.3356
488 V A -2.1983
489 N A -2.3147
490 G A -2.3887
491 F A -2.0693
492 S A -0.8858
493 C A 0.2594
494 T A 0.4584
495 C A 0.0000
496 P A 0.1204
497 S A 0.2229
498 G A 0.5016
499 F A 1.4860
500 S A 0.4745
501 G A 0.2588
502 S A -0.1007
503 T A 0.1419
504 C A 0.4742
505 Q A 0.0000
506 L A 0.0000
507 D A -0.4307
508 V A -0.0717
509 D A -2.4590
510 E A -2.8220
511 C A -1.2997
512 A A -0.4903
513 S A -0.2233
514 T A -0.2408
515 P A -1.3767
516 C A -1.8277
517 R A -3.1852
518 N A -2.8032
519 G A -2.1144
520 A A -2.6155
521 K A -3.0335
522 C A -1.8315
523 V A -1.7923
524 D A -2.6462
525 Q A -2.5087
526 P A -1.5145
527 D A -1.7867
528 G A -1.7022
529 Y A -1.3735
530 E A -2.0722
531 C A -1.4120
532 R A -2.5281
533 C A -1.9088
534 A A -1.6478
535 E A -1.7409
536 G A -0.8191
537 F A 0.2029
538 E A -0.8143
539 G A -0.8664
540 T A -0.2853
541 L A -0.0034
542 C A -0.2387
543 D A -1.2229
544 R A 0.0000
545 N A -1.2146
546 V A -1.6753
547 D A -2.8586
548 D A -3.0479
549 C A 0.0000
550 S A -2.3058
551 P A -1.7489
552 D A -2.1834
553 P A -1.6599
554 C A -1.4425
555 H A -1.8038
556 H A -1.9114
557 G A -1.5308
558 R A -1.8957
559 C A -0.7477
560 V A 0.1863
561 D A -0.1533
562 G A 0.4144
563 I A 1.5273
564 A A 0.5947
565 S A -0.3377
566 F A 0.0000
567 S A -1.3808
568 C A 0.0000
569 A A -0.9814
570 C A 0.0000
571 A A -0.2027
572 P A -0.2162
573 G A -0.1126
574 Y A 0.4068
575 T A 0.0000
576 G A -1.5004
577 T A -1.8881
578 R A -3.0184
579 C A 0.0000
580 E A -2.4506
581 S A -1.2187
582 Q A -0.8100
583 V A 0.0638
584 D A -2.2350
585 E A -2.7608
586 C A -2.1858
587 R A -2.8671
588 S A -1.5588
589 Q A -1.8955
590 P A -1.1638
591 C A 0.0000
592 R A -1.5649
593 H A -1.1941
594 G A -1.2959
595 G A -1.1891
596 K A -1.7622
597 C A -0.8619
598 L A -0.0119
599 D A -0.8090
600 L A 0.3319
601 V A -0.0900
602 D A -1.5470
603 K A -1.7614
604 Y A -0.8216
605 L A -0.3097
606 C A 0.0000
607 R A -1.1188
608 C A 0.0000
609 P A -0.4739
610 S A -0.5351
611 G A -0.5339
612 T A 0.3618
613 T A 0.6261
614 G A 0.8268
615 V A 0.9526
616 N A -0.3785
617 C A -0.1609
618 E A 0.0000
619 V A 1.2638
620 N A 0.0000
621 I A 0.6551
622 D A -1.3167
623 D A -2.6954
624 C A 0.0000
625 A A -0.9440
626 S A -0.7231
627 N A -1.1893
628 P A -0.5161
629 C A 0.6106
630 T A 1.2865
631 F A 2.2145
632 G A 1.8763
633 V A 2.0051
634 C A 0.1037
635 R A -1.6956
636 D A -1.8924
637 G A -1.5918
638 I A -1.6286
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1995 F A 1.6627
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1998 R A 0.0000
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2264 S A -1.2648
2265 D A -1.1343
2266 W A -0.2737
2267 S A -0.9863
2268 E A -1.9230
2269 S A -1.1411
2270 T A -0.7046
2271 P A -0.7393
2272 S A -0.2442
2273 P A -0.2279
2274 A A -0.3718
2275 T A -0.1597
2276 A A -0.3235
2277 T A -0.0386
2278 G A 0.0000
2279 A A -0.0155
2280 M A 0.4472
2281 A A 0.2502
2282 T A 0.0263
2283 T A 0.0956
2284 T A -0.1620
2285 G A -0.2617
2286 A A -0.1100
2287 L A 0.0000
2288 P A -1.1472
2289 A A 0.0000
2290 Q A -2.0134
2291 P A -1.4281
2292 L A -1.1434
2293 P A -0.7367
2294 L A 0.0000
2295 S A 0.0706
2296 V A 0.0169
2297 P A -0.2246
2298 S A -0.4120
2299 S A -0.0395
2300 L A 0.1917
2301 A A -0.0277
2302 Q A 0.0471
2303 A A -0.3629
2304 Q A -1.1216
2305 T A 0.0542
2306 Q A -0.5783
2307 L A 1.0041
2308 G A 0.2629
2309 P A 0.4682
2310 Q A 0.2434
2311 P A 0.1318
2312 E A 0.0248
2313 V A 1.2450
2314 T A -0.0400
2315 P A -0.8468
2316 K A -1.7910
2317 R A -2.5373
2318 Q A -1.5010
2319 V A 0.6047
2320 L A 0.3427
2321 A A 0.3461
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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, -0.5635 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_2 -0.5635 View CSV PDB
model_8 -0.5746 View CSV PDB
model_3 -0.5778 View CSV PDB
model_6 -0.5905 View CSV PDB
model_1 -0.5906 View CSV PDB
model_7 -0.5954 View CSV PDB
CABS_average -0.5989 View CSV PDB
model_4 -0.6036 View CSV PDB
model_10 -0.6048 View CSV PDB
model_0 -0.6059 View CSV PDB
model_5 -0.6095 View CSV PDB
model_11 -0.6332 View CSV PDB
model_9 -0.6375 View CSV PDB
input -0.7537 View CSV PDB