Project name: NOTCH3_WT_4D

Status: done

Started: 2026-04-25 06:25:12
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]                                                (00:00:12)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:12)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:12)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:12)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:13)
[INFO]       CABS:     Running CABS flex simulation                                                (00:32:20)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (09:59:58)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (10:00:36)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (10:01:14)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (10:01:53)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (10:02:31)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (10:03:09)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (10:03:48)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (10:04:26)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (10:05:04)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (10:05:43)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (10:06:21)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (10:07:00)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (10:07:38)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (10:08:53)
[INFO]       Main:     Simulation completed successfully.                                          (10:09:30)
Show buried residues

Minimal score value
-4.2785
Maximal score value
6.3607
Average score
-0.6044
Total score value
-1402.7163

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 0.9405
2 G A 0.1641
3 P A -0.0803
4 G A -0.5873
5 A A -0.8513
6 R A -1.5388
7 G A -1.5373
8 R A -3.0281
9 R A -3.4476
10 R A -4.2331
11 R A -4.2785
12 R A -3.7865
13 R A -2.4919
14 P A -1.4257
15 M A -0.4320
16 S A 0.0000
17 P A -0.4543
18 P A -0.2399
19 P A -0.0467
20 P A -0.0297
21 P A 0.1139
22 P A 0.4459
23 P A 0.2129
24 V A 0.4092
25 R A -0.8523
26 A A -0.1633
27 L A 1.0828
28 P A -0.0394
29 L A 0.0000
30 L A 0.5048
31 L A 0.0000
32 L A 0.4983
33 L A 0.6050
34 A A -0.3688
35 G A -0.1509
36 P A -0.3812
37 G A -0.1503
38 A A -0.2255
39 A A -0.8255
40 A A -1.2214
41 P A 0.0000
42 P A -1.5344
43 C A 0.0000
44 L A 0.3588
45 D A -0.9873
46 G A -0.7509
47 S A -0.8500
48 P A -0.8895
49 C A 0.0000
50 A A -1.2841
51 N A -1.3674
52 G A -0.9684
53 G A -1.2704
54 R A -1.5625
55 C A -0.6990
56 T A -1.1512
57 Q A -2.1800
58 L A 0.0000
59 P A -2.4648
60 S A -2.2917
61 R A -3.4597
62 E A -2.9941
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.0000
67 C A 0.0000
68 P A -0.7927
69 P A -0.8909
70 G A -1.2325
71 W A -1.0471
72 V A -0.9500
73 G A 0.0000
74 E A -2.3792
75 R A -2.6100
76 C A 0.0000
77 Q A -1.9790
78 L A 0.0000
79 E A -2.4909
80 D A -1.7661
81 P A -1.3261
82 C A 0.0000
83 H A -1.5322
84 S A -1.2988
85 G A -0.8735
86 P A -0.8496
87 C A -0.6188
88 A A -0.3396
89 G A -1.0096
90 R A -1.1720
91 G A -0.9499
92 V A -0.4058
93 C A -0.4973
94 Q A -0.8438
95 S A -0.5582
96 S A 0.1196
97 V A 0.3257
98 V A 0.4705
99 A A -0.0968
100 G A -0.7606
101 T A -0.6727
102 A A -0.8233
103 R A -0.9437
104 F A -0.1006
105 S A -0.5829
106 C A 0.0000
107 R A -2.0018
108 C A 0.0000
109 P A -1.4841
110 R A -1.8796
111 G A -0.9647
112 F A -0.1070
113 R A -1.3811
114 G A -1.4885
115 P A -1.2301
116 D A -1.3720
117 C A -0.1873
118 S A -0.1467
119 L A -0.1243
120 P A -0.5620
121 D A -1.4800
122 P A -0.9717
123 C A -0.6000
124 L A 0.7852
125 S A 0.4910
126 S A 0.2454
127 P A -0.2328
128 C A -1.1776
129 A A -1.5210
130 H A -1.8111
131 G A -1.3017
132 A A -1.6268
133 R A -1.6515
134 C A 0.1108
135 S A 0.5162
136 V A 0.4588
137 G A -0.5967
138 P A -1.3626
139 D A -2.3208
140 G A -1.6509
141 R A -1.6154
142 F A 0.5576
143 L A 1.4401
144 C A 0.0000
145 S A -0.8827
146 C A 0.0000
147 P A -1.4181
148 P A -0.6736
149 G A -0.7508
150 Y A -1.3154
151 Q A -2.3905
152 G A -2.1626
153 R A -2.5826
154 S A -1.4598
155 C A -1.4022
156 R A -2.9222
157 S A 0.0000
158 D A -2.3766
159 V A -2.0151
160 D A -1.9380
161 E A -2.0220
162 C A 0.0000
163 R A -1.7167
164 V A 0.0472
165 G A -0.5556
166 E A -1.8258
167 P A -1.9970
168 C A -2.2422
169 R A -2.9939
170 H A -2.3748
171 G A -1.6628
172 G A -1.3677
173 T A 0.0000
174 C A -1.3236
175 L A -0.3824
176 N A -1.4396
177 T A -0.8570
178 P A -1.1260
179 G A -1.3122
180 S A -0.7892
181 F A -1.0860
182 R A -1.7294
183 C A -1.1129
184 Q A -1.1329
185 C A -0.4519
186 P A 0.2770
187 A A 0.1998
188 G A 0.4836
189 Y A 0.9236
190 T A 0.1247
191 G A -0.4362
192 P A 0.2081
193 L A 0.5445
194 C A 0.0000
195 E A -2.0403
196 N A -1.4833
197 P A -0.4609
198 A A 0.4056
199 V A 0.6117
200 P A 0.3291
201 C A 0.3599
202 A A 0.4288
203 P A -0.1832
204 S A -0.3701
205 P A -0.8298
206 C A -1.5556
207 R A -2.6942
208 N A -2.3710
209 G A -1.8267
210 G A -1.9168
211 T A -1.5815
212 C A -1.2949
213 R A -2.3178
214 Q A -1.6224
215 S A -1.1414
216 G A -0.9100
217 D A -0.9364
218 L A 0.6258
219 T A -0.3308
220 Y A -1.0119
221 D A -2.3770
222 C A 0.0000
223 A A -1.2501
224 C A 0.0000
225 L A 0.0000
226 P A -0.3954
227 G A -0.5514
228 F A 0.7078
229 E A -1.2343
230 G A -1.5943
231 Q A -2.3117
232 N A -2.2623
233 C A -1.6747
234 E A -1.9533
235 V A -0.9361
236 N A -1.6068
237 V A -1.5007
238 D A -2.3937
239 D A -1.6043
240 C A -0.3507
241 P A -0.7619
242 G A -1.0516
243 H A -1.6887
244 R A -2.1260
245 C A -0.8780
246 L A -0.0373
247 N A -0.6089
248 G A -0.7832
249 G A -0.8368
250 T A -0.2983
251 C A -0.0034
252 V A 0.2459
253 D A -1.3731
254 G A -0.9127
255 V A -1.0349
256 N A -1.5335
257 T A -0.5490
258 Y A -0.0283
259 N A 0.1623
260 C A 0.0000
261 Q A -0.1360
262 C A 0.0000
263 P A -0.9821
264 P A -1.1045
265 E A -1.6508
266 W A 0.0000
267 T A 0.0000
268 G A -1.3136
269 Q A -0.5377
270 F A 1.0662
271 C A -0.2717
272 T A -0.4912
273 E A -1.0730
274 D A -1.9925
275 V A -0.2411
276 D A 0.0000
277 E A 0.0000
278 C A 0.0000
279 Q A -0.3834
280 L A 0.5443
281 Q A -0.4397
282 P A -0.3859
283 N A -0.3880
284 A A -0.5331
285 C A 0.0000
286 H A -0.8194
287 N A -0.9459
288 G A -0.8728
289 G A -0.5021
290 T A 0.0408
291 C A 0.7699
292 F A 1.8775
293 N A 1.0808
294 T A 1.2142
295 L A 1.3880
296 G A 0.0632
297 G A 0.0000
298 H A 0.0000
299 S A -0.3340
300 C A 0.0000
301 V A -0.0233
302 C A 0.0000
303 V A -0.5734
304 N A -1.2123
305 G A -0.5979
306 W A 0.0000
307 T A -1.0452
308 G A -1.4245
309 E A -1.9431
310 S A 0.0000
311 C A 0.0000
312 S A -1.2882
313 Q A -1.2433
314 N A -0.4834
315 I A 0.5193
316 D A 0.0000
317 D A -0.3695
318 C A 0.5797
319 A A 0.5359
320 T A 0.3531
321 A A 1.0987
322 V A 1.8790
323 C A 1.3245
324 F A 0.4894
325 H A -0.7306
326 G A -0.7819
327 A A -0.4272
328 T A 0.0746
329 C A 0.1682
330 H A -0.6584
331 D A -0.5195
332 R A -1.4222
333 V A -0.7030
334 A A -0.6027
335 S A -0.2439
336 F A 0.7389
337 Y A 1.1257
338 C A 0.0000
339 A A 0.4061
340 C A 0.0000
341 P A -0.3651
342 M A 0.1121
343 G A -0.6613
344 K A -0.6709
345 T A 0.0000
346 G A -0.3613
347 L A 0.5516
348 L A 0.0000
349 C A 0.6189
350 H A 0.4977
351 L A 0.4228
352 D A -0.6892
353 D A -0.8987
354 A A -0.6548
355 C A 0.0000
356 V A 0.9879
357 S A -0.2498
358 N A -0.2378
359 P A -0.0833
360 C A -0.0001
361 H A -1.2107
362 E A -2.6675
363 D A -2.4246
364 A A -0.5824
365 I A 1.5219
366 C A 1.4491
367 D A 0.3999
368 T A -0.2019
369 N A 0.0000
370 P A -0.1359
371 V A 0.1704
372 N A -1.0311
373 G A -1.6125
374 R A -1.8222
375 A A -0.2932
376 I A 1.1780
377 C A 1.3103
378 T A 0.8061
379 C A 0.0743
380 P A -0.9987
381 P A 0.0000
382 G A -0.6500
383 F A 0.5920
384 T A 0.2345
385 G A 0.0000
386 G A -0.1312
387 A A 0.2614
388 C A 0.0000
389 D A -0.3292
390 Q A 0.0000
391 D A -0.2891
392 V A -0.2767
393 D A -1.4991
394 E A -1.9914
395 C A -0.8441
396 S A 0.1487
397 I A 1.3809
398 G A 0.3136
399 A A 0.2211
400 N A -0.7247
401 P A -1.0670
402 C A -1.2489
403 E A -1.7246
404 H A -1.6395
405 L A -1.2700
406 G A -1.7618
407 R A -1.8415
408 C A -0.8740
409 V A 0.0000
410 N A 0.0000
411 T A -1.8387
412 Q A -2.5268
413 G A -1.5308
414 S A -1.0120
415 F A -0.6532
416 L A -0.7109
417 C A 0.0000
418 Q A 0.0000
419 C A 0.0000
420 G A -0.5136
421 R A -0.5188
422 G A -0.5625
423 Y A 0.2942
424 T A 0.0000
425 G A -0.8079
426 P A -1.2487
427 R A -1.9062
428 C A 0.0000
429 E A -1.3136
430 T A -0.8773
431 D A -1.2774
432 V A -0.1001
433 N A -1.3481
434 E A -1.2076
435 C A -0.4436
436 L A -0.3999
437 S A -0.5216
438 G A -0.8074
439 P A 0.0000
440 C A 0.0000
441 R A -2.8321
442 N A -3.2086
443 Q A -2.4072
444 A A -0.5988
445 T A -0.0360
446 C A -0.0252
447 L A -0.1799
448 D A -0.9381
449 R A -0.7741
450 I A 0.8642
451 G A -0.2433
452 Q A -0.5060
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 1.1590
457 C A 1.1015
458 M A 0.4428
459 A A -0.0103
460 G A -0.4337
461 F A 0.1449
462 T A 0.1757
463 G A 0.4168
464 T A 0.0965
465 Y A 0.2135
466 C A 0.0000
467 E A -1.1356
468 V A -0.8242
469 D A -1.9664
470 I A -1.7835
471 D A -2.9887
472 E A -2.2326
473 C A 0.0000
474 Q A -2.0198
475 S A -1.2604
476 S A -0.9685
477 P A -0.6987
478 C A -0.6682
479 V A -0.2485
480 N A -0.6535
481 G A -0.7706
482 G A -0.7589
483 V A -0.6343
484 C A -1.2705
485 K A -1.9145
486 D A -2.4782
487 R A -2.2433
488 V A -0.5943
489 N A -1.4782
490 G A -1.1464
491 F A -0.6589
492 S A -0.6429
493 C A 0.0000
494 T A -0.3996
495 C A 0.0000
496 P A -0.4804
497 S A -1.1048
498 G A -1.2508
499 F A -0.4679
500 S A -0.7554
501 G A -0.7899
502 S A -0.3900
503 T A -0.4716
504 C A 0.0000
505 Q A -1.2463
506 L A -0.4943
507 D A -1.7905
508 V A -1.5803
509 D A -2.4464
510 E A -2.2932
511 C A -0.7481
512 A A -0.5256
513 S A -0.7353
514 T A -0.2230
515 P A -1.0178
516 C A -1.8714
517 R A -2.6412
518 N A -2.7900
519 G A -2.1267
520 A A -1.8840
521 K A -1.9869
522 C A -0.9212
523 V A -0.1085
524 D A -1.2422
525 Q A -1.9269
526 P A -1.7144
527 D A -2.5151
528 G A -1.5294
529 Y A -1.3906
530 E A -1.8625
531 C A -1.0080
532 R A -2.3729
533 C A -2.4535
534 A A -1.9900
535 E A -2.7382
536 G A -1.3789
537 F A 0.4083
538 E A -0.3011
539 G A -0.2254
540 T A 0.5915
541 L A 1.7786
542 C A 1.4529
543 D A 0.0000
544 R A -1.4748
545 N A -2.1877
546 V A -1.4260
547 D A -2.4575
548 D A -2.4131
549 C A -2.0102
550 S A -1.8696
551 P A -1.7637
552 D A -2.6514
553 P A -2.2335
554 C A -2.2220
555 H A -2.5593
556 H A -2.2957
557 G A -1.4908
558 R A -1.5138
559 C A -0.1234
560 V A 0.7780
561 D A -0.5755
562 G A 0.2442
563 I A 1.2042
564 A A -0.6565
565 S A -0.6696
566 F A -0.6246
567 S A -0.6524
568 C A -0.9747
569 A A -0.6101
570 C A -1.1143
571 A A -0.3579
572 P A -0.3797
573 G A -0.0786
574 Y A 0.6180
575 T A -0.2852
576 G A -0.8978
577 T A -1.4704
578 R A -2.6616
579 C A 0.0000
580 E A -2.3091
581 S A -1.1989
582 Q A -0.7027
583 V A 0.3565
584 D A -1.1001
585 E A -1.5654
586 C A -1.2155
587 R A -2.2316
588 S A -1.4834
589 Q A -1.7320
590 P A -1.6925
591 C A 0.0000
592 R A -2.7931
593 H A -2.2688
594 G A -1.8453
595 G A -1.9599
596 K A -2.4517
597 C A -0.9686
598 L A -0.2482
599 D A -0.6567
600 L A 1.0430
601 V A 0.7294
602 D A -1.5408
603 K A -1.6009
604 Y A -0.9476
605 L A -0.3232
606 C A 0.0000
607 R A -2.2722
608 C A -1.6866
609 P A -1.1244
610 S A -0.6316
611 G A -0.9089
612 T A -1.2319
613 T A 0.0000
614 G A -1.2402
615 V A -1.0224
616 N A -1.5809
617 C A -1.8821
618 E A -2.5154
619 V A -2.1543
620 N A -2.5974
621 I A 0.0000
622 D A -3.0781
623 D A -3.4920
624 C A -1.6904
625 A A -1.1096
626 S A -0.3441
627 N A -1.1779
628 P A -0.2631
629 C A 0.9127
630 T A 1.0808
631 F A 2.4175
632 G A 2.0582
633 V A 2.0599
634 C A 0.5188
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2251 S A -1.5088
2252 P A -0.9833
2253 E A -1.5683
2254 H A -0.3867
2255 W A 0.3036
2256 A A 0.1229
2257 S A -0.0519
2258 P A -0.3343
2259 S A -0.4077
2260 P A -0.6916
2261 P A -0.9846
2262 S A -1.0733
2263 L A 0.0000
2264 S A -0.9156
2265 D A -1.0985
2266 W A 0.0113
2267 S A -0.9213
2268 E A -1.9041
2269 S A -1.2859
2270 T A -0.8635
2271 P A -0.7020
2272 S A -0.2497
2273 P A -0.5632
2274 A A -0.3770
2275 T A -0.2522
2276 A A -0.1806
2277 T A -0.3371
2278 G A -0.3238
2279 A A -0.0823
2280 M A 0.7450
2281 A A 0.7850
2282 T A 0.5485
2283 T A 0.2545
2284 T A -0.1347
2285 G A -0.3929
2286 A A -0.0165
2287 L A 1.0229
2288 P A 0.5648
2289 A A 1.2500
2290 Q A 1.1372
2291 P A 0.0000
2292 L A 1.4725
2293 P A 0.7770
2294 L A 1.5626
2295 S A 1.1606
2296 V A 1.8020
2297 P A 0.6991
2298 S A 0.5870
2299 S A 0.6388
2300 L A 1.1867
2301 A A 0.1896
2302 Q A -0.8247
2303 A A -1.0402
2304 Q A -1.4940
2305 T A -1.2683
2306 Q A -1.6852
2307 L A -0.6558
2308 G A -1.5916
2309 P A -2.0819
2310 Q A -2.5872
2311 P A -2.0680
2312 E A -1.6566
2313 V A 0.4054
2314 T A -0.1180
2315 P A -1.2314
2316 K A -2.5287
2317 R A -2.6938
2318 Q A -1.0780
2319 V A 0.4364
2320 L A 0.8338
2321 A A 0.5572
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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, -0.6044 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_3 -0.6044 View CSV PDB
model_1 -0.6076 View CSV PDB
model_0 -0.6116 View CSV PDB
model_4 -0.6213 View CSV PDB
model_2 -0.6337 View CSV PDB
CABS_average -0.6376 View CSV PDB
model_11 -0.6425 View CSV PDB
model_8 -0.644 View CSV PDB
model_7 -0.6478 View CSV PDB
model_6 -0.6547 View CSV PDB
model_5 -0.6557 View CSV PDB
model_10 -0.6611 View CSV PDB
model_9 -0.6666 View CSV PDB
input -0.7537 View CSV PDB