Project name: NOTCH3_R133C_4D

Status: done

Started: 2026-04-25 06:25:40
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]                                                (00:00:01)
[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                                                (00:26:38)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (09:51:26)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (09:52:06)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (09:52:45)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (09:53:23)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (09:54:02)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (09:54:40)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (09:55:18)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (09:55:57)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (09:56:35)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (09:57:13)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (09:57:51)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (09:58:30)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (09:59:08)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (10:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (10:01:05)
Show buried residues

Minimal score value
-5.2018
Maximal score value
4.5117
Average score
-0.576
Total score value
-1336.7931

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 0.9126
2 G A 0.0000
3 P A -0.0909
4 G A -0.7817
5 A A -1.4117
6 R A -3.0838
7 G A -3.6051
8 R A -4.9249
9 R A -5.2018
10 R A -4.3063
11 R A -3.8858
12 R A -3.2288
13 R A -1.9709
14 P A -0.6547
15 M A 0.5737
16 S A -0.2073
17 P A -0.3626
18 P A -0.9324
19 P A -0.9351
20 P A -1.2368
21 P A -0.5929
22 P A -0.5815
23 P A 0.2549
24 V A 1.4864
25 R A 1.1184
26 A A 0.7815
27 L A 1.3074
28 P A 0.0000
29 L A 2.2612
30 L A 1.3357
31 L A 0.0000
32 L A 1.6924
33 L A 1.8533
34 A A 0.8083
35 G A 0.0371
36 P A -0.7292
37 G A -1.3460
38 A A -1.0863
39 A A -0.5819
40 A A -0.5444
41 P A 0.0000
42 P A -1.2629
43 C A 0.0000
44 L A 0.0784
45 D A -1.2294
46 G A -0.9903
47 S A -0.9563
48 P A -1.1327
49 C A -1.0074
50 A A -1.1718
51 N A -1.2743
52 G A -1.1024
53 G A -1.4798
54 R A -1.9935
55 C A 0.0000
56 T A 0.0000
57 Q A 0.0000
58 L A 0.3867
59 P A -0.4332
60 S A -1.2843
61 R A -2.6068
62 E A -2.3682
63 A A -1.3365
64 A A -0.4133
65 C A 0.0000
66 L A 0.0000
67 C A 0.0000
68 P A -0.8321
69 P A -1.1701
70 G A -1.5187
71 W A -1.4967
72 V A 0.0000
73 G A 0.0000
74 E A -0.7462
75 R A -1.9520
76 C A 0.0000
77 Q A -1.8638
78 L A 0.0000
79 E A -2.7913
80 D A -2.7932
81 P A -1.6968
82 C A -0.8645
83 H A -1.3284
84 S A -0.9812
85 G A -0.6166
86 P A -0.4639
87 C A 0.0323
88 A A -0.2521
89 G A -0.8679
90 R A -2.0019
91 G A -1.0345
92 V A -0.2074
93 C A -0.1658
94 Q A -0.0413
95 S A 0.0000
96 S A -0.3368
97 V A -0.1472
98 V A -0.2215
99 A A -0.8262
100 G A -1.2945
101 T A -0.8697
102 A A -1.2074
103 R A -1.5165
104 F A -0.3606
105 S A -0.3170
106 C A -0.3596
107 R A -0.5352
108 C A 0.0000
109 P A -1.0275
110 R A -1.4569
111 G A 0.0000
112 F A 0.4563
113 R A 0.0000
114 G A 0.0000
115 P A -0.5606
116 D A -1.4045
117 C A -0.0483
118 S A -0.2929
119 L A 0.6984
120 P A 0.3410
121 D A 0.0000
122 P A 0.0000
123 C A -0.0826
124 L A 0.0501
125 S A -0.0142
126 S A -0.3033
127 P A -0.8225
128 C A -0.7919
129 A A -0.5460
130 H A -1.0311
131 G A -0.7966
132 A A -0.3356
133 C A 0.1880
134 C A 0.6962
135 S A 0.7167
136 V A 0.5142
137 G A -0.6075
138 P A 0.0000
139 D A -2.2161
140 G A -1.9384
141 R A -1.4386
142 F A 0.9757
143 L A 1.6037
144 C A 0.0000
145 S A -0.3600
146 C A -0.6544
147 P A -0.8436
148 P A -1.3656
149 G A -1.7923
150 Y A -2.2307
151 Q A -2.4833
152 G A -2.4179
153 R A -2.7025
154 S A -1.5621
155 C A 0.0000
156 R A -1.9627
157 S A -1.9439
158 D A -2.4302
159 V A -1.9197
160 D A -1.5417
161 E A -1.5105
162 C A 0.0000
163 R A -2.0659
164 V A -1.5379
165 G A -1.7005
166 E A -2.4475
167 P A -2.1371
168 C A -2.4470
169 R A -3.1908
170 H A -2.5172
171 G A -1.5565
172 G A -1.3808
173 T A -1.7046
174 C A -1.4048
175 L A -0.2285
176 N A -0.4923
177 T A -0.2421
178 P A -0.4895
179 G A -0.6352
180 S A 0.0099
181 F A 0.1865
182 R A -0.8475
183 C A -1.2047
184 Q A -1.5505
185 C A 0.0000
186 P A -1.2403
187 A A -0.7316
188 G A -1.0189
189 Y A 0.0000
190 T A 0.0000
191 G A 0.2426
192 P A 0.7668
193 L A 1.2841
194 C A 0.3237
195 E A -0.9477
196 N A -1.2889
197 P A -0.8066
198 A A -0.2870
199 V A -0.0224
200 P A -0.1603
201 C A -0.8628
202 A A -0.8712
203 P A -0.7762
204 S A -0.8698
205 P A -1.1158
206 C A -1.3575
207 R A -2.0922
208 N A -0.9129
209 G A -0.5150
210 G A -0.4695
211 T A -1.0388
212 C A -1.6719
213 R A -2.7036
214 Q A -2.4561
215 S A -1.7108
216 G A -1.2943
217 D A -1.7115
218 L A -0.2843
219 T A 0.0000
220 Y A -0.9167
221 D A -1.5371
222 C A -1.3738
223 A A -0.6584
224 C A 0.0000
225 L A 0.5504
226 P A 0.2906
227 G A 0.0088
228 F A 1.2941
229 E A -0.1013
230 G A -0.6034
231 Q A -0.5785
232 N A -1.2319
233 C A -0.5586
234 E A -0.0056
235 V A 0.5455
236 N A 0.0000
237 V A -0.2462
238 D A -1.8420
239 D A -1.5876
240 C A 0.0000
241 P A -1.1305
242 G A -1.1681
243 H A -1.0517
244 R A -1.7179
245 C A 0.0000
246 L A 0.0362
247 N A -0.8428
248 G A -0.9120
249 G A -0.8368
250 T A -0.7698
251 C A -0.3142
252 V A 0.5736
253 D A -0.0563
254 G A 0.5558
255 V A 1.1610
256 N A -0.8331
257 T A -0.1769
258 Y A -0.3384
259 N A -0.3291
260 C A -0.1645
261 Q A -0.4454
262 C A 0.0000
263 P A -0.4710
264 P A -0.7392
265 E A -1.1992
266 W A -0.2559
267 T A -0.2603
268 G A -0.5193
269 Q A -0.4297
270 F A 0.3526
271 C A 0.0000
272 T A -0.4188
273 E A -0.8339
274 D A -0.9395
275 V A -0.6132
276 D A -1.3589
277 E A -0.8906
278 C A -0.7786
279 Q A -1.3920
280 L A -0.1868
281 Q A -0.5932
282 P A -0.6692
283 N A -1.0363
284 A A -0.9693
285 C A 0.0000
286 H A -1.1800
287 N A -1.0498
288 G A 0.0000
289 G A -0.4388
290 T A 0.0399
291 C A 0.0833
292 F A -0.3563
293 N A -0.9202
294 T A -0.3132
295 L A 0.7285
296 G A -0.0623
297 G A -0.5615
298 H A -1.0662
299 S A -0.8557
300 C A 0.2637
301 V A 0.9167
302 C A 0.3353
303 V A -0.1676
304 N A -0.6818
305 G A -0.7300
306 W A -0.9713
307 T A -1.2815
308 G A -1.6588
309 E A -2.4063
310 S A -1.4414
311 C A 0.0000
312 S A -1.3351
313 Q A -1.8885
314 N A -2.0275
315 I A -1.4138
316 D A -2.2187
317 D A 0.0000
318 C A 0.0094
319 A A 0.6228
320 T A -0.0486
321 A A 1.6633
322 V A 2.3387
323 C A 0.0000
324 F A 2.0158
325 H A -0.0549
326 G A -0.4825
327 A A -0.2771
328 T A 0.0000
329 C A 0.4050
330 H A -1.1125
331 D A -1.8077
332 R A -1.5818
333 V A 0.0781
334 A A 0.0499
335 S A -0.2318
336 F A 0.2476
337 Y A 1.2683
338 C A 1.5087
339 A A 0.6739
340 C A 0.3180
341 P A -0.0645
342 M A 0.3102
343 G A -0.2741
344 K A -0.8251
345 T A -0.2027
346 G A 1.0638
347 L A 2.1477
348 L A 2.8955
349 C A 2.0206
350 H A 0.0000
351 L A 0.2607
352 D A -1.1645
353 D A -0.6482
354 A A -0.3779
355 C A 0.0000
356 V A 1.1918
357 S A 0.1114
358 N A 0.0000
359 P A -0.0494
360 C A 0.0000
361 H A -1.0711
362 E A -2.0203
363 D A -2.4252
364 A A 0.0000
365 I A 1.2650
366 C A 0.6244
367 D A -0.3867
368 T A 0.0000
369 N A -1.0266
370 P A -0.5927
371 V A 0.8204
372 N A -0.6961
373 G A -1.4530
374 R A -1.9300
375 A A -0.5479
376 I A 1.0609
377 C A 0.0000
378 T A 0.4640
379 C A 0.1338
380 P A -0.3502
381 P A -0.8390
382 G A -1.1759
383 F A -0.9453
384 T A -0.9179
385 G A -0.8386
386 G A -0.6663
387 A A -0.3847
388 C A -1.0245
389 D A -1.9665
390 Q A -2.3087
391 D A -1.9660
392 V A -0.8496
393 D A -2.1551
394 E A -1.2457
395 C A 0.0185
396 S A 0.4246
397 I A 1.7280
398 G A 0.5531
399 A A 0.1541
400 N A -0.3100
401 P A -0.5585
402 C A -0.5688
403 E A -0.4211
404 H A -1.0678
405 L A -0.3349
406 G A -1.4755
407 R A -1.9518
408 C A -0.5876
409 V A -0.5063
410 N A -1.2351
411 T A -1.1969
412 Q A -2.0286
413 G A -1.3810
414 S A 0.0000
415 F A 0.0000
416 L A -0.7487
417 C A 0.0000
418 Q A -1.6147
419 C A -1.4360
420 G A -1.5959
421 R A -0.6729
422 G A -0.1209
423 Y A 0.0000
424 T A -0.4972
425 G A -0.7640
426 P A -0.8628
427 R A -0.8528
428 C A 0.0000
429 E A -0.5170
430 T A -0.3108
431 D A -0.0908
432 V A 0.7051
433 N A 0.1283
434 E A 0.0000
435 C A 0.0000
436 L A 1.4512
437 S A 0.3655
438 G A -0.1628
439 P A -0.2809
440 C A 0.0362
441 R A 0.0000
442 N A -0.7841
443 Q A 0.0137
444 A A 0.1185
445 T A 0.4233
446 C A 0.2120
447 L A -0.1153
448 D A -0.6293
449 R A -1.1836
450 I A 0.5552
451 G A -0.4179
452 Q A -1.4436
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.3207
457 C A 0.0000
458 M A 1.6430
459 A A 0.9689
460 G A 0.9530
461 F A 2.2032
462 T A 1.2687
463 G A -0.2781
464 T A 0.1067
465 Y A 0.6353
466 C A 0.0894
467 E A 0.0089
468 V A 0.9407
469 D A 0.9505
470 I A 0.8019
471 D A -1.7186
472 E A -1.8031
473 C A -0.9275
474 Q A -0.5969
475 S A -0.4110
476 S A -0.3926
477 P A -0.0989
478 C A 0.0188
479 V A -0.3793
480 N A -1.2609
481 G A -0.8124
482 G A -0.2182
483 V A 0.7507
484 C A -0.5862
485 K A -2.5960
486 D A -3.3389
487 R A -2.9131
488 V A -0.6519
489 N A -2.0195
490 G A -2.0339
491 F A 0.0000
492 S A -1.4154
493 C A 0.0000
494 T A 0.0418
495 C A 0.0000
496 P A -0.4144
497 S A -0.9131
498 G A -0.8075
499 F A 0.1935
500 S A -0.4987
501 G A -0.6464
502 S A -0.4533
503 T A -0.7198
504 C A 0.0000
505 Q A -1.2107
506 L A -0.7445
507 D A -1.5575
508 V A -1.8354
509 D A -2.5857
510 E A -2.0016
511 C A -0.8291
512 A A -0.4157
513 S A -0.2857
514 T A -0.3781
515 P A -1.0988
516 C A -1.8390
517 R A -3.1859
518 N A -3.0731
519 G A -2.1300
520 A A -2.2026
521 K A -2.4900
522 C A -1.0809
523 V A -1.3100
524 D A -2.4279
525 Q A -2.4571
526 P A -1.9345
527 D A -2.6743
528 G A -1.9128
529 Y A -1.8538
530 E A -2.2326
531 C A -1.7546
532 R A -2.8463
533 C A -2.4290
534 A A -1.5292
535 E A -1.8386
536 G A -0.3695
537 F A 0.5667
538 E A -0.6565
539 G A -0.4777
540 T A 0.0878
541 L A 1.4197
542 C A 0.8355
543 D A -0.7805
544 R A -0.8419
545 N A -1.4364
546 V A 0.3061
547 D A -0.7510
548 D A -1.3957
549 C A -0.6496
550 S A -0.6930
551 P A -0.7023
552 D A -1.2620
553 P A -1.0027
554 C A -1.1873
555 H A -1.7895
556 H A -1.7179
557 G A -1.4894
558 R A -1.6953
559 C A -0.3508
560 V A 0.0918
561 D A -0.7610
562 G A 0.0858
563 I A 1.1301
564 A A 0.0319
565 S A 0.1511
566 F A 0.0002
567 S A -0.4921
568 C A 0.0000
569 A A -0.5289
570 C A -1.2437
571 A A 0.0000
572 P A -0.7687
573 G A -0.8422
574 Y A -0.0237
575 T A -0.6326
576 G A -0.6976
577 T A -0.4693
578 R A -1.4559
579 C A -1.8290
580 E A -2.3090
581 S A -1.6189
582 Q A -1.8033
583 V A -1.6601
584 D A -2.5458
585 E A -2.4262
586 C A -1.6535
587 R A -2.7070
588 S A -1.3676
589 Q A -1.2470
590 P A -0.7832
591 C A -1.1979
592 R A -1.7723
593 H A -1.8988
594 G A -1.7590
595 G A -2.2359
596 K A -2.1752
597 C A -1.0029
598 L A 0.2157
599 D A -0.6493
600 L A 0.1943
601 V A -0.8547
602 D A -2.6626
603 K A -1.8964
604 Y A -0.5862
605 L A 0.5544
606 C A -0.9158
607 R A -2.1896
608 C A -1.9082
609 P A -1.1841
610 S A -0.8238
611 G A -0.4287
612 T A -0.1708
613 T A 0.2136
614 G A 0.1379
615 V A 0.6998
616 N A -0.8676
617 C A 0.0000
618 E A 0.0000
619 V A -0.1047
620 N A 0.0000
621 I A 0.0134
622 D A -1.8832
623 D A -2.7366
624 C A -1.4654
625 A A -0.8997
626 S A -0.7160
627 N A -1.0230
628 P A -0.3454
629 C A 0.0000
630 T A 1.1151
631 F A 2.1686
632 G A 1.5989
633 V A 1.8764
634 C A 0.0416
635 R A -1.7183
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2250 E A -2.5927
2251 S A -1.7753
2252 P A -1.5892
2253 E A -2.5138
2254 H A -2.0017
2255 W A -0.9745
2256 A A 0.0000
2257 S A 0.5322
2258 P A 0.3611
2259 S A -0.4816
2260 P A -0.8800
2261 P A -1.2187
2262 S A 0.0000
2263 L A 0.0000
2264 S A -1.1044
2265 D A -1.9017
2266 W A -0.5722
2267 S A -0.6874
2268 E A -1.2942
2269 S A 0.0000
2270 T A -0.5477
2271 P A -0.5843
2272 S A 0.0000
2273 P A -0.3023
2274 A A 0.0000
2275 T A -0.2688
2276 A A -0.1522
2277 T A -0.2599
2278 G A -0.5182
2279 A A -0.2595
2280 M A 0.0000
2281 A A -0.1804
2282 T A -0.2119
2283 T A -0.2414
2284 T A -0.3805
2285 G A -0.5965
2286 A A -0.3693
2287 L A 0.0667
2288 P A -0.1212
2289 A A -0.2856
2290 Q A -0.6209
2291 P A -0.4714
2292 L A 0.0000
2293 P A -0.2293
2294 L A 0.7782
2295 S A 1.1064
2296 V A 1.3159
2297 P A 0.3707
2298 S A 0.5233
2299 S A 0.6231
2300 L A 1.6776
2301 A A 0.6660
2302 Q A -0.7320
2303 A A -0.6735
2304 Q A -1.2396
2305 T A -0.4702
2306 Q A -0.3172
2307 L A -0.2701
2308 G A -1.0324
2309 P A 0.0000
2310 Q A -2.3046
2311 P A -2.6398
2312 E A -2.8361
2313 V A -1.7569
2314 T A -1.0991
2315 P A -1.2618
2316 K A -1.5231
2317 R A -2.7111
2318 Q A -2.3556
2319 V A -0.9321
2320 L A 0.4773
2321 A A 0.8978
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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, -0.576 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 -0.576 View CSV PDB
model_6 -0.5835 View CSV PDB
model_3 -0.5835 View CSV PDB
model_0 -0.5835 View CSV PDB
model_1 -0.5934 View CSV PDB
model_5 -0.5945 View CSV PDB
CABS_average -0.5947 View CSV PDB
model_9 -0.5948 View CSV PDB
model_4 -0.5948 View CSV PDB
model_2 -0.6033 View CSV PDB
model_10 -0.6039 View CSV PDB
model_7 -0.609 View CSV PDB
model_11 -0.6162 View CSV PDB
input -0.7512 View CSV PDB