Project name: C446S_5_4D

Status: done

Started: 2026-06-02 01:54:54
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATSLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       CABS:     Running CABS flex simulation                                                (00:23:00)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (14:38:32)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (14:39:23)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (14:40:14)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (14:41:06)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (14:41:59)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (14:42:53)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (14:43:47)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (14:44:40)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (14:45:31)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (14:46:21)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (14:47:12)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (14:48:01)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (14:48:55)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (14:50:40)
[INFO]       Main:     Simulation completed successfully.                                          (14:51:34)
Show buried residues

Minimal score value
-2.5157
Maximal score value
2.2044
Average score
-0.2235
Total score value
-518.8561

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 0.9650
2 G A -0.2736
3 P A -0.1741
4 G A -0.2631
5 A A 0.0022
6 R A 0.0000
7 G A 0.0000
8 R A -0.7487
9 R A 0.0000
10 R A -2.2453
11 R A -1.3200
12 R A -0.9391
13 R A -2.1711
14 P A -0.5927
15 M A 0.0000
16 S A -0.2340
17 P A -0.1892
18 P A -0.2716
19 P A -0.3021
20 P A -0.1255
21 P A -0.1488
22 P A -0.2352
23 P A 0.2644
24 V A 1.4240
25 R A -1.5136
26 A A 0.0000
27 L A 0.0000
28 P A -0.0785
29 L A 1.0752
30 L A 0.0000
31 L A 1.8386
32 L A 2.2001
33 L A 1.8291
34 A A 0.4850
35 G A 0.0908
36 P A -0.3975
37 G A -0.5205
38 A A -0.0322
39 A A 0.0779
40 A A 0.0635
41 P A -0.0902
42 P A -0.2494
43 C A 0.2454
44 L A 0.8157
45 D A -1.6641
46 G A -0.8085
47 S A 0.0000
48 P A -0.2354
49 C A 0.0051
50 A A -0.0205
51 N A -0.5831
52 G A -0.5957
53 G A -0.6012
54 R A -1.7817
55 C A 0.0290
56 T A -0.0725
57 Q A -0.7173
58 L A 0.0000
59 P A -0.2547
60 S A -0.4843
61 R A -1.5965
62 E A -2.0502
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A -0.0028
67 C A 0.0000
68 P A -0.2957
69 P A -0.3417
70 G A -0.3008
71 W A 0.3275
72 V A 0.0000
73 G A -0.4021
74 E A -2.0875
75 R A -1.7068
76 C A 0.0000
77 Q A -0.4816
78 L A -0.0170
79 E A -1.7060
80 D A -0.5424
81 P A -0.1317
82 C A 0.0000
83 H A -0.5127
84 S A -0.3787
85 G A -0.5567
86 P A -0.3573
87 C A 0.3242
88 A A 0.0400
89 G A -0.8060
90 R A -1.9804
91 G A -0.1855
92 V A 1.7576
93 C A 0.4696
94 Q A -0.4622
95 S A -0.1435
96 S A -0.0564
97 V A 0.0000
98 V A 1.7384
99 A A 0.3026
100 G A -0.4687
101 T A -0.1563
102 A A -0.3455
103 R A -1.4764
104 F A 1.5947
105 S A 0.0000
106 C A 0.2620
107 R A -0.5952
108 C A 0.4979
109 P A -0.4540
110 R A -1.9538
111 G A -0.6247
112 F A 0.3597
113 R A -0.2316
114 G A -0.2886
115 P A -0.5593
116 D A -1.6966
117 C A 0.3190
118 S A 0.3513
119 L A 1.2457
120 P A -0.0418
121 D A 0.0000
122 P A -0.0902
123 C A 0.4117
124 L A 1.5512
125 S A 0.1589
126 S A -0.2518
127 P A -0.1358
128 C A 0.0808
129 A A -0.1115
130 H A -1.0659
131 G A -0.6475
132 A A -0.4053
133 R A -1.8250
134 C A -0.2088
135 S A 0.0927
136 V A 0.4994
137 G A -0.1309
138 P A -0.6026
139 D A -1.9218
140 G A -0.9971
141 R A -0.7535
142 F A 1.8617
143 L A 0.8156
144 C A 0.0000
145 S A -0.3526
146 C A 0.0483
147 P A 0.0000
148 P A -0.3432
149 G A -0.4618
150 Y A 0.1957
151 Q A 0.0000
152 G A -0.8032
153 R A -1.9661
154 S A -0.4144
155 C A 0.6557
156 R A -0.0876
157 S A -0.5371
158 D A -1.4729
159 V A 0.3035
160 D A -0.1394
161 E A 0.0000
162 C A 0.0000
163 R A -1.7515
164 V A 0.0053
165 G A -0.7180
166 E A -1.9824
167 P A -0.6437
168 C A 0.3354
169 R A -1.9804
170 H A -1.4478
171 G A -0.6749
172 G A -0.3071
173 T A -0.0673
174 C A 0.3828
175 L A 1.4017
176 N A 0.0519
177 T A -0.2011
178 P A -0.3492
179 G A -0.5303
180 S A 0.1242
181 F A 1.2492
182 R A -1.5278
183 C A 0.0000
184 Q A -0.1889
185 C A 0.6570
186 P A 0.1957
187 A A 0.0293
188 G A 0.1553
189 Y A 1.1526
190 T A 0.2844
191 G A -0.1253
192 P A -0.0148
193 L A 1.0004
194 C A 0.0000
195 E A -0.9799
196 N A 0.0000
197 P A 0.0745
198 A A 0.1531
199 V A 0.8975
200 P A 0.0454
201 C A 0.7805
202 A A 0.0984
203 P A -0.2657
204 S A -0.1499
205 P A -0.1798
206 C A -0.2982
207 R A -1.9484
208 N A -1.5925
209 G A -0.7683
210 G A -0.6768
211 T A -0.0149
212 C A 0.1372
213 R A -1.9773
214 Q A -1.5525
215 S A -0.3521
216 G A -0.6236
217 D A -1.6885
218 L A 0.4740
219 T A 0.2917
220 Y A 0.5875
221 D A -0.3441
222 C A 0.0513
223 A A -0.0925
224 C A 0.0000
225 L A 0.8485
226 P A -0.0303
227 G A -0.2116
228 F A 0.0000
229 E A -1.2087
230 G A -0.6585
231 Q A -1.4791
232 N A -1.4965
233 C A 0.0000
234 E A -1.6537
235 V A 0.4023
236 N A -0.6190
237 V A 0.6214
238 D A -1.3978
239 D A -1.9664
240 C A -0.0547
241 P A -0.1968
242 G A -0.6832
243 H A -1.4272
244 R A -2.0321
245 C A 0.0000
246 L A 1.0247
247 N A -1.1665
248 G A -0.7767
249 G A -0.5904
250 T A -0.0514
251 C A 0.2841
252 V A 0.2333
253 D A -1.6117
254 G A -0.4239
255 V A 0.3839
256 N A -1.1737
257 T A -0.1683
258 Y A 0.1030
259 N A -0.6198
260 C A 0.1317
261 Q A -0.3809
262 C A -0.0404
263 P A -0.2644
264 P A -0.2773
265 E A -0.3361
266 W A 0.9373
267 T A 0.1083
268 G A -0.6984
269 Q A -0.9217
270 F A 1.7160
271 C A 0.0000
272 T A -0.2497
273 E A -1.1242
274 D A -1.1475
275 V A -0.2369
276 D A -1.2721
277 E A -0.5558
278 C A -0.1086
279 Q A -0.9565
280 L A 0.6266
281 Q A -1.0393
282 P A -0.6504
283 N A -0.4721
284 A A -0.0054
285 C A -0.0174
286 H A -0.6622
287 N A -0.5203
288 G A -0.3685
289 G A -0.1722
290 T A 0.0469
291 C A 0.7812
292 F A 1.6365
293 N A -0.9690
294 T A 0.0014
295 L A 1.4505
296 G A -0.1896
297 G A -0.2140
298 H A -0.2099
299 S A 0.0352
300 C A 0.1901
301 V A 0.3777
302 C A 0.0000
303 V A 0.0000
304 N A 0.0000
305 G A 0.0000
306 W A 0.1080
307 T A -0.0759
308 G A -0.5124
309 E A -1.8728
310 S A -0.4252
311 C A 0.0604
312 S A -0.0272
313 Q A -0.4374
314 N A 0.0000
315 I A 0.0000
316 D A -0.3687
317 D A -0.5731
318 C A 0.1760
319 A A 0.0469
320 T A 0.0000
321 A A 0.0651
322 V A 0.3669
323 C A 0.5174
324 F A 0.2832
325 H A -0.9443
326 G A -0.3519
327 A A -0.0142
328 T A -0.0100
329 C A 0.0941
330 H A -0.7239
331 D A -0.7486
332 R A -1.3533
333 V A 1.4439
334 A A 0.0000
335 S A 0.0000
336 F A 0.0000
337 Y A 0.2457
338 C A 0.0000
339 A A 0.0349
340 C A 0.0259
341 P A -0.1986
342 M A 0.1047
343 G A -0.3496
344 K A 0.0000
345 T A 0.0000
346 G A 0.0000
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A -0.0147
351 L A 0.7778
352 D A -1.2608
353 D A -2.0031
354 A A -0.3261
355 C A 0.0000
356 V A 0.5383
357 S A -0.1516
358 N A -0.3007
359 P A -0.1048
360 C A 0.0000
361 H A -0.3983
362 E A -1.5379
363 D A -2.0101
364 A A -0.1582
365 I A 0.9128
366 C A 0.0000
367 D A -0.1260
368 T A 0.0000
369 N A 0.0000
370 P A 0.0000
371 V A 0.0000
372 N A -0.2196
373 G A -0.2137
374 R A -0.2644
375 A A 0.0852
376 I A 0.5607
377 C A 0.0000
378 T A -0.0232
379 C A 0.0000
380 P A 0.0000
381 P A -0.2730
382 G A -0.0802
383 F A 0.3122
384 T A 0.0000
385 G A -0.2776
386 G A -0.1676
387 A A -0.0157
388 C A 0.0000
389 D A -0.3522
390 Q A 0.0000
391 D A 0.0000
392 V A 0.0000
393 D A 0.0000
394 E A 0.0000
395 C A 0.0000
396 S A 0.0046
397 I A 0.3533
398 G A -0.3754
399 A A -0.0616
400 N A -0.1689
401 P A -0.1521
402 C A 0.0000
403 E A 0.0000
404 H A -0.7682
405 L A -0.0332
406 G A -0.6121
407 R A -1.8998
408 C A 0.0000
409 V A 1.6811
410 N A 0.1640
411 T A -0.2904
412 Q A -1.1174
413 G A -0.3543
414 S A -0.0892
415 F A 0.5522
416 L A 1.7643
417 C A 0.0000
418 Q A -0.8998
419 C A 0.0000
420 G A -0.6530
421 R A -1.4455
422 G A -0.4769
423 Y A 0.7628
424 T A 0.0693
425 G A -0.5302
426 P A -0.3930
427 R A -0.3360
428 C A 0.0765
429 E A 0.0000
430 T A 0.0000
431 D A 0.0505
432 V A 0.5517
433 N A -1.2296
434 E A -0.6745
435 C A 0.8646
436 L A 1.4851
437 S A -0.0400
438 G A -0.5540
439 P A -0.3045
440 C A -0.0656
441 R A -1.4544
442 N A -1.5941
443 Q A -0.9053
444 A A -0.1080
445 T A -0.0580
446 S A 0.2551
447 L A 1.3781
448 D A -0.9063
449 R A -1.7855
450 I A 1.3539
451 G A -0.3550
452 Q A -1.4177
453 F A 0.0717
454 T A 0.0359
455 C A 0.0000
456 I A 0.6430
457 C A 0.0000
458 M A 0.2398
459 A A 0.1395
460 G A -0.3854
461 F A 1.4094
462 T A 0.1677
463 G A -0.4805
464 T A 0.1130
465 Y A 1.3219
466 C A -0.0102
467 E A -1.7292
468 V A -0.1298
469 D A -1.5792
470 I A 0.4834
471 D A -0.8761
472 E A -0.5025
473 C A -0.2385
474 Q A -1.2245
475 S A -0.4369
476 S A -0.0955
477 P A -0.1046
478 C A 0.4886
479 V A 0.2115
480 N A -0.4293
481 G A -0.5503
482 G A 0.1721
483 V A 1.7774
484 C A 0.1321
485 K A -1.8471
486 D A -1.5464
487 R A -1.6774
488 V A 1.2284
489 N A -0.6722
490 G A -0.4603
491 F A 0.4046
492 S A -0.0541
493 C A 0.1378
494 T A 0.0023
495 C A 0.1399
496 P A -0.2007
497 S A 0.0000
498 G A 0.0842
499 F A 1.8646
500 S A 0.0863
501 G A -0.3404
502 S A -0.2766
503 T A -0.1242
504 C A 0.0000
505 Q A -1.0649
506 L A 0.1688
507 D A -1.5162
508 V A 0.0204
509 D A -1.8147
510 E A -1.0197
511 C A 0.5810
512 A A 0.1229
513 S A -0.2176
514 T A -0.1508
515 P A -0.2052
516 C A -0.1051
517 R A -2.0244
518 N A -1.7059
519 G A -0.7093
520 A A -0.5083
521 K A -1.5145
522 C A 0.2881
523 V A 1.7215
524 D A -0.4147
525 Q A -1.5876
526 P A -0.8766
527 D A -2.0126
528 G A -0.7154
529 Y A -0.1508
530 E A -1.2370
531 C A 0.0000
532 R A -1.3014
533 C A 0.0000
534 A A 0.0107
535 E A -0.3268
536 G A -0.6305
537 F A -0.2655
538 E A -0.8817
539 G A 0.0000
540 T A 0.2536
541 L A 1.6774
542 C A 0.7247
543 D A -1.8290
544 R A -2.3571
545 N A -1.3462
546 V A 1.2066
547 D A -1.7946
548 D A -2.1198
549 C A 0.0000
550 S A -0.2284
551 P A -0.6306
552 D A -1.8850
553 P A -0.5244
554 C A 0.1034
555 H A -1.1064
556 H A -1.2142
557 G A -0.7108
558 R A -1.7845
559 C A 0.3186
560 V A 0.8650
561 D A -0.2542
562 G A -0.1675
563 I A 1.9372
564 A A 0.4037
565 S A -0.0851
566 F A 0.4870
567 S A 0.1639
568 C A 0.0000
569 A A -0.1921
570 C A 0.1173
571 A A -0.0081
572 P A -0.3362
573 G A -0.4457
574 Y A 0.0000
575 T A 0.0000
576 G A -0.4242
577 T A -0.4563
578 R A -1.7401
579 C A 0.0170
580 E A -1.7153
581 S A -0.7916
582 Q A -1.1427
583 V A -0.1081
584 D A -1.6920
585 E A 0.0000
586 C A -0.2727
587 R A -1.8516
588 S A -0.7396
589 Q A -1.2999
590 P A -0.5708
591 C A -0.0709
592 R A -1.2460
593 H A -0.8219
594 G A -0.6303
595 G A -0.8168
596 K A -1.4235
597 C A 0.0377
598 L A 0.6208
599 D A -0.8565
600 L A 0.8049
601 V A 0.5141
602 D A -1.1112
603 K A -1.8661
604 Y A 0.0000
605 L A 0.7577
606 C A 0.0000
607 R A -1.8441
608 C A 0.0000
609 P A -0.0568
610 S A -0.1000
611 G A -0.1715
612 T A -0.1020
613 T A -0.0939
614 G A 0.1013
615 V A 1.7317
616 N A -0.0004
617 C A 0.0000
618 E A -0.8224
619 V A -0.2212
620 N A -1.1558
621 I A -0.1712
622 D A -1.8852
623 D A -1.1556
624 C A 0.4614
625 A A 0.1115
626 S A -0.3268
627 N A -0.7144
628 P A -0.3636
629 C A 0.1368
630 T A 0.1728
631 F A 1.1569
632 G A 0.3684
633 V A 1.6129
634 C A 0.2140
635 R A -1.9643
636 D A -1.2308
637 G A 0.0189
638 I A 1.5808
639 N A -1.2730
640 R A -1.8321
641 Y A 0.8639
642 D A -0.1991
643 C A 0.3668
644 V A 0.7241
645 C A 0.2845
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1971 K A -1.6961
1972 E A 0.0000
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1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A 0.0000
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1980 A A 0.0000
1981 R A -0.4329
1982 E A -0.6245
1983 G A -0.1593
1984 S A 0.0000
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1987 A A 0.0000
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1989 K A -0.2980
1990 L A 0.2415
1991 L A 0.0000
1992 L A -0.1256
1993 D A -1.8440
1994 H A -0.7866
1995 F A 0.3962
1996 A A 0.0298
1997 N A -0.6403
1998 R A -0.6431
1999 E A -1.8548
2000 I A 0.0000
2001 T A -0.1462
2002 D A -0.6036
2003 H A -1.0320
2004 L A -0.1229
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2006 R A 0.0000
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2008 P A 0.0000
2009 R A -1.8966
2010 D A -0.7974
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.6006
2014 E A -0.7812
2015 R A -0.6200
2016 L A 1.1731
2017 H A -0.3150
2018 Q A -1.2426
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2272 S A -0.0681
2273 P A 0.0000
2274 A A 0.0000
2275 T A 0.0000
2276 A A 0.0554
2277 T A -0.0930
2278 G A -0.4583
2279 A A 0.1139
2280 M A 0.7672
2281 A A 0.1515
2282 T A 0.0000
2283 T A 0.0000
2284 T A -0.0700
2285 G A -0.1961
2286 A A 0.0166
2287 L A 0.0000
2288 P A -0.0757
2289 A A 0.0000
2290 Q A 0.0000
2291 P A -0.1965
2292 L A 0.0000
2293 P A -0.2549
2294 L A 0.0000
2295 S A -0.1718
2296 V A 0.1209
2297 P A -0.2257
2298 S A -0.1412
2299 S A -0.1484
2300 L A 0.0000
2301 A A -0.0850
2302 Q A 0.0000
2303 A A -0.0474
2304 Q A -0.5427
2305 T A -0.3586
2306 Q A -1.0842
2307 L A 0.3595
2308 G A -0.1070
2309 P A 0.0000
2310 Q A -0.2951
2311 P A -0.6376
2312 E A -1.5300
2313 V A 1.4239
2314 T A 0.2570
2315 P A -0.5890
2316 K A -1.7496
2317 R A 0.0000
2318 Q A -0.1735
2319 V A 0.4744
2320 L A 1.6007
2321 A A 0.3535
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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, -0.2235 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 -0.2235 View CSV PDB
model_0 -0.2247 View CSV PDB
model_8 -0.2381 View CSV PDB
model_5 -0.2391 View CSV PDB
model_4 -0.24 View CSV PDB
CABS_average -0.2438 View CSV PDB
model_6 -0.2447 View CSV PDB
model_1 -0.2497 View CSV PDB
model_9 -0.2504 View CSV PDB
model_11 -0.2509 View CSV PDB
model_7 -0.2541 View CSV PDB
model_3 -0.2547 View CSV PDB
model_10 -0.2557 View CSV PDB
input -0.2774 View CSV PDB