Project name: C522P_4D

Status: done

Started: 2026-05-14 00:44:57
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKPVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:33:31)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:27:05)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:27:49)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:28:33)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:29:16)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:30:00)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:30:44)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:31:28)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:32:11)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:32:55)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:33:39)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:34:22)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:35:06)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:35:50)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:37:15)
[INFO]       Main:     Simulation completed successfully.                                          (12:37:58)
Show buried residues

Minimal score value
-4.5831
Maximal score value
4.3546
Average score
-0.5868
Total score value
-1362.019

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 0.6014
2 G A -0.1152
3 P A -0.4962
4 G A -0.6787
5 A A -1.1416
6 R A -2.4231
7 G A -2.2658
8 R A -3.1101
9 R A -2.9976
10 R A -3.5922
11 R A -3.7408
12 R A -3.7201
13 R A -3.3717
14 P A -1.6189
15 M A -0.7282
16 S A -0.6229
17 P A -0.7334
18 P A -0.6836
19 P A -0.7879
20 P A -0.7119
21 P A -0.4454
22 P A -0.3502
23 P A 0.0334
24 V A 0.8596
25 R A 0.2503
26 A A 0.2865
27 L A 0.3530
28 P A 0.0000
29 L A 0.6921
30 L A 2.0913
31 L A 3.1011
32 L A 2.4604
33 L A 2.6021
34 A A 1.0258
35 G A 0.0626
36 P A -0.1485
37 G A -0.2151
38 A A -0.1358
39 A A -0.0040
40 A A -0.1010
41 P A -0.2121
42 P A -0.4531
43 C A 0.0000
44 L A 0.0695
45 D A -1.4561
46 G A -1.2871
47 S A 0.0000
48 P A -0.5120
49 C A -0.3593
50 A A 0.0000
51 N A 0.0000
52 G A 0.0000
53 G A -0.7997
54 R A 0.0000
55 C A 0.0000
56 T A 0.0000
57 Q A -1.4901
58 L A -1.0527
59 P A -1.0368
60 S A -0.9403
61 R A -1.6489
62 E A -2.1592
63 A A -1.6092
64 A A 0.0000
65 C A 0.0000
66 L A 0.0000
67 C A 0.0000
68 P A -0.8109
69 P A -1.3792
70 G A -1.7807
71 W A 0.0000
72 V A 0.0000
73 G A 0.0000
74 E A -0.7888
75 R A -1.6251
76 C A 0.0000
77 Q A -1.1337
78 L A -1.1478
79 E A -1.6740
80 D A -1.3345
81 P A -0.5655
82 C A 0.0482
83 H A -1.0314
84 S A -1.0367
85 G A -1.4263
86 P A -1.1045
87 C A 0.0000
88 A A -0.4613
89 G A -1.2533
90 R A -2.0383
91 G A -0.8181
92 V A 0.1346
93 C A 0.0000
94 Q A 0.0000
95 S A 0.0000
96 S A -0.5458
97 V A 0.0000
98 V A -0.3524
99 A A -0.5177
100 G A -0.7980
101 T A -0.7352
102 A A -0.9835
103 R A -1.6572
104 F A -0.6272
105 S A -0.3108
106 C A -0.3177
107 R A -0.3918
108 C A 0.0000
109 P A -0.8251
110 R A -1.2662
111 G A -0.5867
112 F A -0.2025
113 R A 0.0000
114 G A -0.3376
115 P A -0.4402
116 D A -0.0918
117 C A 0.1729
118 S A 0.0746
119 L A 0.8204
120 P A 0.2400
121 D A 0.0000
122 P A -0.0570
123 C A 0.0000
124 L A 0.0000
125 S A -0.7820
126 S A -0.3772
127 P A -0.5298
128 C A 0.0000
129 A A -1.5545
130 H A -2.0555
131 G A -1.4248
132 A A 0.0000
133 R A -0.7001
134 C A 0.0000
135 S A -0.3409
136 V A 0.0000
137 G A -0.9605
138 P A -1.4215
139 D A -2.6390
140 G A -1.9471
141 R A -2.2492
142 F A -0.4359
143 L A -0.5648
144 C A 0.0000
145 S A -0.9793
146 C A 0.0000
147 P A 0.0000
148 P A 0.0000
149 G A 0.0000
150 Y A -1.3518
151 Q A -1.9089
152 G A -2.1479
153 R A -2.3057
154 S A -1.2154
155 C A -0.3549
156 R A -1.5542
157 S A -1.2336
158 D A -0.4223
159 V A 0.9569
160 D A -0.3172
161 E A 0.0000
162 C A 0.4963
163 R A -0.9337
164 V A -0.4444
165 G A -1.1418
166 E A -2.3668
167 P A -1.2002
168 C A -0.6124
169 R A -1.0180
170 H A -1.7443
171 G A -1.2354
172 G A -1.3296
173 T A -0.8247
174 C A -0.2330
175 L A 0.4636
176 N A -0.6481
177 T A -0.3421
178 P A -0.2066
179 G A 0.0000
180 S A 0.0000
181 F A 0.0000
182 R A -0.9714
183 C A 0.0000
184 Q A -1.3078
185 C A 0.0000
186 P A -0.2429
187 A A 0.0000
188 G A 0.6449
189 Y A 0.8722
190 T A 0.0000
191 G A 0.0000
192 P A -0.9759
193 L A -1.3912
194 C A 0.0000
195 E A -1.7362
196 N A 0.0000
197 P A 0.0419
198 A A 0.2004
199 V A 0.0000
200 P A -0.1898
201 C A -0.5709
202 A A 0.0000
203 P A -1.0684
204 S A -0.8342
205 P A -1.2532
206 C A -1.3449
207 R A -2.4077
208 N A -2.4410
209 G A -1.7923
210 G A -1.6772
211 T A -1.7444
212 C A -1.7459
213 R A -2.4440
214 Q A -1.6318
215 S A -1.3829
216 G A -1.2232
217 D A -1.5026
218 L A 0.1733
219 T A 0.0000
220 Y A -1.0675
221 D A -1.8242
222 C A 0.0000
223 A A -1.2791
224 C A -0.9213
225 L A 0.0000
226 P A -0.5087
227 G A -0.8574
228 F A 0.5962
229 E A -1.3234
230 G A -1.6400
231 Q A -2.3978
232 N A -2.2734
233 C A -1.6929
234 E A -1.8009
235 V A -0.6517
236 N A -1.4726
237 V A -1.5297
238 D A -3.0864
239 D A -3.0367
240 C A -1.7180
241 P A -1.5476
242 G A -1.6403
243 H A -2.0305
244 R A -2.4791
245 C A -1.1818
246 L A 0.0000
247 N A -0.8105
248 G A -0.9885
249 G A -1.4614
250 T A -1.1554
251 C A -0.6950
252 V A -0.1286
253 D A -1.5102
254 G A -0.5323
255 V A 0.3719
256 N A -1.4585
257 T A -0.8736
258 Y A -0.8364
259 N A -1.0039
260 C A -0.8507
261 Q A -1.0710
262 C A -0.8790
263 P A 0.0000
264 P A -0.8892
265 E A -1.4345
266 W A 0.0000
267 T A -0.9259
268 G A -1.1338
269 Q A -0.3808
270 F A 0.9935
271 C A -0.2082
272 T A 0.0000
273 E A 0.0000
274 D A -0.8861
275 V A 0.0000
276 D A -1.3485
277 E A 0.0000
278 C A 0.0000
279 Q A -0.7505
280 L A 0.1871
281 Q A -0.5189
282 P A -0.2991
283 N A 0.0000
284 A A 0.0000
285 C A 0.3890
286 H A 0.0000
287 N A -0.4686
288 G A -0.3183
289 G A 0.3166
290 T A 1.0432
291 C A 1.1234
292 F A 1.8328
293 N A 0.3796
294 T A 0.2210
295 L A -0.1904
296 G A 0.0000
297 G A 0.0000
298 H A 0.0000
299 S A 1.1019
300 C A 0.0000
301 V A 2.0421
302 C A 0.0000
303 V A 1.9255
304 N A 1.2066
305 G A 1.2572
306 W A 1.4108
307 T A 0.2993
308 G A -0.7047
309 E A -1.7243
310 S A -0.4890
311 C A 0.0000
312 S A 0.0000
313 Q A 0.0000
314 N A 0.0000
315 I A 2.2572
316 D A 0.0000
317 D A 0.0702
318 C A 0.3570
319 A A 0.2374
320 T A 0.8493
321 A A 1.4515
322 V A 2.2031
323 C A 0.0000
324 F A 1.5523
325 H A -0.2898
326 G A -0.1321
327 A A 0.3133
328 T A 0.3205
329 C A 0.5502
330 H A 0.0533
331 D A 0.3868
332 R A 0.0000
333 V A 0.3910
334 A A -0.0992
335 S A -0.2071
336 F A 0.1333
337 Y A 0.0000
338 C A 0.0000
339 A A 0.0000
340 C A 0.2677
341 P A 0.0940
342 M A -0.0820
343 G A -0.8836
344 K A -1.5200
345 T A 0.0000
346 G A -0.0785
347 L A 0.4761
348 L A 0.4327
349 C A 0.6994
350 H A -0.2354
351 L A -0.3202
352 D A -1.7644
353 D A -1.4527
354 A A -0.4773
355 C A 0.7159
356 V A 0.8239
357 S A -0.3052
358 N A -1.2193
359 P A -1.0215
360 C A -1.1204
361 H A -1.7263
362 E A -2.8171
363 D A -2.7830
364 A A -1.7301
365 I A -0.6684
366 C A 0.0684
367 D A 0.0879
368 T A -0.7097
369 N A -1.4174
370 P A 0.0000
371 V A -0.7938
372 N A -2.0444
373 G A -1.8367
374 R A -2.0962
375 A A 0.0000
376 I A 0.0238
377 C A 0.0000
378 T A 0.0000
379 C A 0.0000
380 P A -1.1208
381 P A -0.9556
382 G A -0.5323
383 F A 0.0000
384 T A -0.9374
385 G A -1.3055
386 G A -1.0278
387 A A -0.8320
388 C A -1.6899
389 D A -2.6152
390 Q A -2.4312
391 D A -1.6982
392 V A -0.5208
393 D A -1.0590
394 E A -0.9934
395 C A -0.8082
396 S A -0.5859
397 I A -0.5431
398 G A -0.5368
399 A A -0.6557
400 N A -0.8704
401 P A 0.0000
402 C A -1.3130
403 E A -2.2194
404 H A -1.4550
405 L A 0.0000
406 G A 0.0000
407 R A 0.0000
408 C A 0.0000
409 V A 0.0000
410 N A -1.2270
411 T A -0.7810
412 Q A -1.7600
413 G A 0.0000
414 S A -0.9205
415 F A 0.0000
416 L A -0.5104
417 C A 0.0000
418 Q A 0.0000
419 C A 0.0000
420 G A 0.0000
421 R A -1.9375
422 G A -1.5876
423 Y A 0.0000
424 T A -0.7603
425 G A 0.0000
426 P A -0.9644
427 R A -2.0889
428 C A -1.8103
429 E A -2.3475
430 T A -1.4450
431 D A -0.8274
432 V A 0.0497
433 N A -0.7096
434 E A -0.3477
435 C A 0.7889
436 L A 1.1372
437 S A 0.1786
438 G A -0.9998
439 P A -1.0632
440 C A -1.7336
441 R A -3.1464
442 N A -2.5630
443 Q A -2.5564
444 A A -1.6158
445 T A -0.6188
446 C A 0.5155
447 L A 0.0662
448 D A -0.6080
449 R A -0.6528
450 I A 0.0975
451 G A 0.0000
452 Q A -0.4151
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.0000
457 C A 0.0000
458 M A -1.6540
459 A A -0.8063
460 G A -0.9723
461 F A -0.3800
462 T A -0.5104
463 G A -0.5418
464 T A -0.4272
465 Y A -0.1006
466 C A 0.0000
467 E A -1.8770
468 V A -1.4645
469 D A -1.8879
470 I A -0.6912
471 D A -2.6361
472 E A -2.2071
473 C A 0.0000
474 Q A -1.9052
475 S A -1.5241
476 S A -1.0366
477 P A -0.7654
478 C A -0.3619
479 V A -0.2242
480 N A -0.7515
481 G A -0.6584
482 G A 0.0179
483 V A 0.7856
484 C A -0.1296
485 K A -1.0150
486 D A -2.4810
487 R A -2.1833
488 V A -0.1764
489 N A -1.4131
490 G A -0.9612
491 F A -0.1681
492 S A 0.0482
493 C A 0.2865
494 T A 0.3887
495 C A 0.1569
496 P A -0.3983
497 S A -1.4321
498 G A -1.6934
499 F A -1.0631
500 S A -0.9884
501 G A -0.9065
502 S A -0.3883
503 T A -0.2757
504 C A 0.0000
505 Q A -1.3202
506 L A -1.0044
507 D A -2.5247
508 V A -2.2181
509 D A -2.7851
510 E A -3.0027
511 C A -1.3173
512 A A -0.4723
513 S A -0.7429
514 T A -0.9056
515 P A -0.7380
516 C A -1.6233
517 R A -3.0403
518 N A -2.7748
519 G A -2.1535
520 A A -2.3083
521 K A -2.6231
522 P A -1.4525
523 V A -0.3974
524 D A -1.5943
525 Q A -2.0769
526 P A -2.2833
527 D A -3.0821
528 G A -1.6153
529 Y A -0.7417
530 E A -1.2500
531 C A -1.1067
532 R A -2.1672
533 C A -1.8216
534 A A -0.7847
535 E A -1.4875
536 G A -0.7469
537 F A -0.5276
538 E A -2.2860
539 G A -1.6809
540 T A -0.6723
541 L A 0.3497
542 C A -1.2979
543 D A -2.2084
544 R A -1.8165
545 N A -2.4940
546 V A -1.8325
547 D A -2.6560
548 D A -2.9039
549 C A 0.0000
550 S A -1.7765
551 P A -2.1506
552 D A -2.6035
553 P A -1.4972
554 C A -1.4569
555 H A -1.4532
556 H A -1.8536
557 G A -1.6586
558 R A -1.9196
559 C A -1.0370
560 V A -0.0678
561 D A -0.9534
562 G A -0.4277
563 I A -0.2043
564 A A -0.5266
565 S A -0.6018
566 F A 0.0000
567 S A -1.0507
568 C A 0.0000
569 A A -1.0853
570 C A -1.1247
571 A A -0.7722
572 P A -0.9160
573 G A -1.4149
574 Y A 0.0000
575 T A -1.5123
576 G A -1.5716
577 T A -1.2794
578 R A -2.7301
579 C A 0.0000
580 E A -2.7019
581 S A -1.5819
582 Q A -1.3970
583 V A -0.4689
584 D A -2.3518
585 E A -2.6855
586 C A -1.6544
587 R A -2.4403
588 S A -1.7577
589 Q A -1.8489
590 P A -1.2356
591 C A -0.8732
592 R A -2.1091
593 H A -1.8015
594 G A -1.7816
595 G A -1.9781
596 K A -2.3443
597 C A -1.3063
598 L A -0.8062
599 D A -2.1811
600 L A -1.2283
601 V A -0.9356
602 D A -2.2523
603 K A -2.1892
604 Y A -1.3564
605 L A -0.3890
606 C A -0.5215
607 R A -1.7013
608 C A 0.0000
609 P A -0.9514
610 S A -0.8200
611 G A -0.5415
612 T A 0.3318
613 T A 0.0000
614 G A 0.0270
615 V A 0.6926
616 N A 0.0000
617 C A -0.1280
618 E A 0.0620
619 V A 1.4128
620 N A 0.3076
621 I A 0.7681
622 D A -1.3543
623 D A -2.0934
624 C A -1.3164
625 A A -1.1238
626 S A -1.1719
627 N A -1.4150
628 P A -0.8644
629 C A 0.6516
630 T A 0.9487
631 F A 2.1821
632 G A 1.7744
633 V A 1.8819
634 C A 0.4878
635 R A -1.0534
636 D A -0.7780
637 G A -0.1954
638 I A 1.2207
639 N A -0.9918
640 R A -2.0511
641 Y A -0.6820
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1974 T A 0.0000
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1997 N A -1.3628
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2259 S A -0.6019
2260 P A -0.8864
2261 P A -0.7341
2262 S A -0.5605
2263 L A 0.0000
2264 S A -1.1142
2265 D A -1.8242
2266 W A 0.0000
2267 S A -0.9411
2268 E A 0.0000
2269 S A 0.0000
2270 T A -0.7911
2271 P A 0.0000
2272 S A -0.5123
2273 P A -0.3366
2274 A A -0.2607
2275 T A -0.2179
2276 A A -0.0619
2277 T A 0.1064
2278 G A 0.0000
2279 A A 0.0336
2280 M A -0.1810
2281 A A -0.4812
2282 T A 0.0000
2283 T A -0.6182
2284 T A 0.0000
2285 G A -0.9320
2286 A A -0.6131
2287 L A 0.0934
2288 P A -0.3442
2289 A A -0.6020
2290 Q A -0.7750
2291 P A -0.5171
2292 L A 0.1820
2293 P A 0.4426
2294 L A 1.7458
2295 S A 1.4797
2296 V A 2.0302
2297 P A 1.1085
2298 S A 0.6888
2299 S A 0.0000
2300 L A 1.3343
2301 A A 0.4740
2302 Q A -0.2823
2303 A A -0.6960
2304 Q A -0.3581
2305 T A 0.0000
2306 Q A 0.0000
2307 L A 0.2230
2308 G A -0.3583
2309 P A -0.7610
2310 Q A -0.7779
2311 P A -0.7933
2312 E A -0.5008
2313 V A 1.0024
2314 T A 0.1526
2315 P A -0.6995
2316 K A -1.6305
2317 R A -2.7343
2318 Q A -2.3181
2319 V A -1.0282
2320 L A -0.3083
2321 A A -0.1300
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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, -0.5868 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 -0.5868 View CSV PDB
model_1 -0.5872 View CSV PDB
model_5 -0.5948 View CSV PDB
model_4 -0.6023 View CSV PDB
model_6 -0.6049 View CSV PDB
model_3 -0.6187 View CSV PDB
CABS_average -0.6225 View CSV PDB
model_0 -0.6264 View CSV PDB
model_9 -0.6295 View CSV PDB
model_8 -0.6431 View CSV PDB
model_10 -0.6533 View CSV PDB
model_11 -0.6545 View CSV PDB
model_7 -0.6687 View CSV PDB
input -0.7777 View CSV PDB