Project name: C245Y

Status: done

Started: 2026-05-06 07:04:28
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRYLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:04)
[INFO]       CABS:     Running CABS flex simulation                                                (00:00:04)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (10:47:57)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (10:48:35)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (10:49:14)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (10:49:52)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (10:50:31)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (10:51:09)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (10:51:48)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (10:52:26)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (10:53:04)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (10:53:43)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (10:54:21)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (10:54:59)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (10:55:38)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (10:56:56)
[INFO]       Main:     Simulation completed successfully.                                          (10:57:33)
Show buried residues

Minimal score value
-3.8672
Maximal score value
5.7936
Average score
-0.5317
Total score value
-1234.1535

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 0.8867
2 G A 0.0000
3 P A -0.4393
4 G A -0.7026
5 A A -1.3618
6 R A -2.7059
7 G A -2.6392
8 R A -3.6046
9 R A -3.4930
10 R A -2.9175
11 R A -3.0117
12 R A -2.7893
13 R A 0.0000
14 P A -1.2927
15 M A 0.0000
16 S A 0.0000
17 P A -0.5649
18 P A -0.3659
19 P A -0.5343
20 P A -0.2557
21 P A -1.2764
22 P A 0.0000
23 P A 0.0000
24 V A -1.8239
25 R A -1.2868
26 A A -0.1949
27 L A 0.9559
28 P A 1.1045
29 L A 2.3155
30 L A 3.3771
31 L A 3.2560
32 L A 3.6101
33 L A 2.7907
34 A A 1.3843
35 G A 0.0000
36 P A 0.0000
37 G A 0.0000
38 A A 0.0000
39 A A 0.0000
40 A A 0.0000
41 P A -0.0707
42 P A -0.4632
43 C A 0.0000
44 L A -0.7496
45 D A -2.0842
46 G A -0.7787
47 S A 0.2804
48 P A 0.1684
49 C A 0.0000
50 A A 0.3802
51 N A -0.0178
52 G A -0.7090
53 G A -0.6391
54 R A -0.2140
55 C A -0.0595
56 T A -0.4515
57 Q A -1.2141
58 L A -0.3597
59 P A -0.9078
60 S A -0.9811
61 R A -1.4536
62 E A -2.2180
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.7910
67 C A 0.4239
68 P A -0.2837
69 P A -0.4424
70 G A -0.5829
71 W A 0.0301
72 V A 0.0741
73 G A -0.1375
74 E A 0.0000
75 R A -0.5235
76 C A 0.0000
77 Q A 0.0000
78 L A 0.5010
79 E A -1.3887
80 D A -1.4858
81 P A -1.0924
82 C A -0.8172
83 H A -1.1551
84 S A -0.6228
85 G A -0.8549
86 P A -0.9482
87 C A -1.1330
88 A A -1.1448
89 G A -1.8716
90 R A -2.3916
91 G A -1.1437
92 V A 0.3345
93 C A 0.1036
94 Q A 0.0000
95 S A -0.5687
96 S A 0.0000
97 V A 0.0000
98 V A 0.0000
99 A A 0.3147
100 G A 0.0173
101 T A 0.0000
102 A A 0.0000
103 R A 0.0000
104 F A 0.0000
105 S A 0.0000
106 C A 0.0000
107 R A -0.8775
108 C A 0.0000
109 P A -1.7371
110 R A -2.4320
111 G A -1.0449
112 F A 0.0000
113 R A 0.0000
114 G A 0.0000
115 P A -1.4688
116 D A -2.1466
117 C A 0.0000
118 S A 0.0000
119 L A 0.0000
120 P A -0.3935
121 D A 0.0000
122 P A -0.1071
123 C A 0.0000
124 L A 0.1254
125 S A -0.0890
126 S A 0.1180
127 P A -0.1413
128 C A -0.5183
129 A A -0.8276
130 H A -1.4345
131 G A -1.2955
132 A A -1.5133
133 R A -1.7222
134 C A -0.6146
135 S A -0.0396
136 V A 0.4981
137 G A -0.1311
138 P A -1.0060
139 D A -1.5758
140 G A 0.0000
141 R A -1.2733
142 F A 0.1326
143 L A 0.3335
144 C A -0.3006
145 S A -0.7274
146 C A -1.2494
147 P A -0.7734
148 P A -0.2723
149 G A -1.2251
150 Y A -1.5704
151 Q A -2.7100
152 G A -2.4988
153 R A -2.7968
154 S A -1.8366
155 C A -2.1826
156 R A -3.0296
157 S A -2.3523
158 D A -2.4516
159 V A -1.5164
160 D A -1.9883
161 E A -1.7976
162 C A -1.5162
163 R A -2.0023
164 V A -0.1771
165 G A -0.8545
166 E A -2.0178
167 P A -1.3981
168 C A -1.6249
169 R A -2.6190
170 H A -2.3138
171 G A -1.4521
172 G A -1.2155
173 T A -0.8169
174 C A -0.7370
175 L A -0.4417
176 N A -1.7183
177 T A -1.1051
178 P A -1.1577
179 G A -1.1169
180 S A -0.9670
181 F A 0.0000
182 R A -1.3402
183 C A 0.0000
184 Q A -1.2916
185 C A -1.1819
186 P A -0.4778
187 A A -0.0153
188 G A 0.0730
189 Y A 0.8295
190 T A -0.7548
191 G A -0.6895
192 P A -0.7714
193 L A -0.5092
194 C A -1.5405
195 E A -2.1343
196 N A -1.4711
197 P A -0.3148
198 A A 0.4151
199 V A 1.3030
200 P A 0.7788
201 C A 0.2363
202 A A -0.1946
203 P A -0.8935
204 S A -0.9581
205 P A -1.2038
206 C A -1.3197
207 R A -1.9193
208 N A -1.4906
209 G A -1.4817
210 G A -1.6173
211 T A -1.3662
212 C A -1.9430
213 R A -2.8289
214 Q A -2.4841
215 S A -1.7153
216 G A -1.3115
217 D A -1.4056
218 L A 0.4471
219 T A -0.5304
220 Y A -1.2655
221 D A -2.0082
222 C A 0.0000
223 A A -0.8632
224 C A 0.0000
225 L A 0.7283
226 P A 0.0455
227 G A 0.0427
228 F A -0.2618
229 E A -2.0658
230 G A -2.1960
231 Q A -2.6064
232 N A -2.2459
233 C A -1.4788
234 E A -1.3962
235 V A -0.0454
236 N A -0.4921
237 V A -0.7071
238 D A -2.5468
239 D A -2.5301
240 C A -0.7019
241 P A -0.6544
242 G A -1.1850
243 H A -1.6937
244 R A -2.0054
245 Y A -0.3241
246 L A 0.1756
247 N A -0.6774
248 G A -0.5578
249 G A -0.3215
250 T A -0.6196
251 C A -0.5392
252 V A -0.1130
253 D A -1.9290
254 G A -1.5018
255 V A -1.0373
256 N A -1.7038
257 T A -1.1121
258 Y A -0.8642
259 N A -0.8280
260 C A -0.1066
261 Q A -0.8357
262 C A -0.5701
263 P A -0.5223
264 P A 0.0000
265 E A -2.2565
266 W A -1.0463
267 T A -1.2222
268 G A -1.0207
269 Q A -1.1240
270 F A 0.7477
271 C A 0.0000
272 T A 0.0000
273 E A -1.8440
274 D A -1.4832
275 V A 0.0000
276 D A -1.6311
277 E A 0.0000
278 C A -0.6518
279 Q A -1.5125
280 L A -0.7544
281 Q A -0.7690
282 P A -0.6458
283 N A -0.4362
284 A A -0.2739
285 C A 0.0000
286 H A -0.6209
287 N A -1.0053
288 G A -0.7457
289 G A -0.1790
290 T A 0.3718
291 C A 0.5237
292 F A 1.1333
293 N A -0.5742
294 T A -0.0898
295 L A 0.3421
296 G A -0.2646
297 G A -0.3625
298 H A -0.5176
299 S A 0.0928
300 C A 0.0602
301 V A 0.3912
302 C A 0.0000
303 V A 0.0000
304 N A 0.0000
305 G A 0.0000
306 W A 0.0000
307 T A 0.0000
308 G A -1.2370
309 E A -2.0667
310 S A -1.3482
311 C A -0.9626
312 S A -1.1763
313 Q A -1.3286
314 N A 0.0000
315 I A 0.0000
316 D A 0.0000
317 D A 0.0000
318 C A 0.4368
319 A A 0.0772
320 T A 0.0000
321 A A 0.4347
322 V A 0.7488
323 C A 0.8419
324 F A 0.8542
325 H A -0.1168
326 G A -0.3517
327 A A -0.0219
328 T A 0.0994
329 C A 0.0166
330 H A -0.7274
331 D A -0.9230
332 R A -1.1970
333 V A -0.7574
334 A A 0.0000
335 S A 0.0000
336 F A 0.0000
337 Y A -0.3068
338 C A 0.0000
339 A A 0.3157
340 C A 0.0000
341 P A 0.0247
342 M A -0.2809
343 G A -0.8717
344 K A -1.4570
345 T A -1.0775
346 G A -0.6397
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A -0.6090
351 L A 0.0000
352 D A 0.0000
353 D A -1.3186
354 A A -0.8097
355 C A 0.0000
356 V A 0.0000
357 S A -0.7794
358 N A -0.8941
359 P A -0.9928
360 C A -1.0415
361 H A 0.0000
362 E A -2.4774
363 D A -2.2991
364 A A 0.0000
365 I A -0.6752
366 C A 0.0000
367 D A -1.5591
368 T A -0.8937
369 N A 0.0000
370 P A -0.5007
371 V A 0.0000
372 N A 0.0000
373 G A -0.1684
374 R A -0.4349
375 A A -0.3745
376 I A -0.0583
377 C A -0.2533
378 T A 0.0000
379 C A 0.0000
380 P A -1.3090
381 P A 0.0000
382 G A -0.2316
383 F A 0.0000
384 T A 0.0000
385 G A -0.8793
386 G A -1.2598
387 A A -0.9545
388 C A -1.4544
389 D A -2.5047
390 Q A -1.7569
391 D A 0.0000
392 V A 0.0000
393 D A -0.6099
394 E A -0.0650
395 C A 0.1343
396 S A 0.0503
397 I A 0.1772
398 G A -0.1983
399 A A -0.3662
400 N A -0.4896
401 P A -0.7083
402 C A 0.0000
403 E A -0.7453
404 H A -0.5907
405 L A -0.3435
406 G A -0.4952
407 R A -0.8728
408 C A 0.0000
409 V A 0.0000
410 N A 0.0000
411 T A 0.0000
412 Q A -1.1076
413 G A -0.8916
414 S A -0.3053
415 F A -0.0235
416 L A 0.0000
417 C A -0.5070
418 Q A -0.8313
419 C A 0.0000
420 G A -1.1363
421 R A -0.7718
422 G A -0.6009
423 Y A -0.6855
424 T A -0.5199
425 G A -0.9622
426 P A -0.7891
427 R A -0.7005
428 C A -0.7850
429 E A -1.3168
430 T A -0.6173
431 D A -0.6671
432 V A -0.2832
433 N A -0.8712
434 E A -1.4576
435 C A 0.1444
436 L A 0.9254
437 S A 0.4076
438 G A -0.0709
439 P A -0.7081
440 C A -1.0201
441 R A -2.3176
442 N A -2.2686
443 Q A -1.2358
444 A A -0.3161
445 T A 0.0594
446 C A 0.0000
447 L A -0.9286
448 D A -1.6588
449 R A -1.7525
450 I A 0.1840
451 G A -0.8689
452 Q A -1.5835
453 F A -0.7320
454 T A -0.3954
455 C A 0.0000
456 I A 0.9814
457 C A 0.0000
458 M A 1.2499
459 A A 0.3154
460 G A 0.2645
461 F A 1.3180
462 T A 0.0028
463 G A -0.2560
464 T A -0.1062
465 Y A 0.1733
466 C A -0.2881
467 E A -0.7758
468 V A -0.3443
469 D A -1.5905
470 I A -1.5768
471 D A -3.5891
472 E A -3.7398
473 C A 0.0000
474 Q A -2.7503
475 S A -1.6792
476 S A -0.8261
477 P A -0.5565
478 C A 0.0000
479 V A 1.0602
480 N A -0.4385
481 G A -0.6782
482 G A -0.8470
483 V A 0.0000
484 C A -1.5577
485 K A -3.0549
486 D A -3.3895
487 R A -3.2819
488 V A -2.1648
489 N A -2.6515
490 G A -2.1020
491 F A -1.9638
492 S A -1.4591
493 C A 0.0000
494 T A -0.1362
495 C A 0.0000
496 P A 0.1779
497 S A 0.0817
498 G A 0.2358
499 F A 1.6718
500 S A 0.8561
501 G A 0.0505
502 S A -0.0243
503 T A 0.1137
504 C A 0.5108
505 Q A 0.6937
506 L A 1.3408
507 D A 0.0000
508 V A -0.4529
509 D A -1.2529
510 E A -1.6382
511 C A -0.7496
512 A A -0.6458
513 S A -0.6233
514 T A -0.5823
515 P A -0.9104
516 C A -1.8779
517 R A -2.8536
518 N A -2.5172
519 G A -1.6226
520 A A -1.3787
521 K A -1.6882
522 C A 0.0000
523 V A -0.3873
524 D A -1.7989
525 Q A -2.2202
526 P A -1.4715
527 D A -1.8557
528 G A -1.3960
529 Y A -0.8804
530 E A -1.7062
531 C A -1.1552
532 R A -2.4453
533 C A -2.5394
534 A A -2.1235
535 E A -3.0094
536 G A -1.3795
537 F A -1.0615
538 E A -2.3478
539 G A -1.5034
540 T A -0.4776
541 L A -0.0535
542 C A 0.0000
543 D A -2.4934
544 R A -2.7979
545 N A -2.0270
546 V A -0.9841
547 D A -1.6615
548 D A -2.0468
549 C A -1.0002
550 S A -1.0881
551 P A -1.2986
552 D A -2.2456
553 P A -1.9793
554 C A -2.7480
555 H A -2.7205
556 H A -2.2948
557 G A -2.4612
558 R A -2.0701
559 C A -0.4115
560 V A 0.1382
561 D A -0.4146
562 G A 0.4791
563 I A 1.2928
564 A A 0.0000
565 S A -0.2146
566 F A 0.7818
567 S A -0.3604
568 C A 0.0000
569 A A 0.0000
570 C A 0.0000
571 A A -1.6144
572 P A -0.8535
573 G A -0.7106
574 Y A 0.0000
575 T A -1.2146
576 G A -1.5915
577 T A -1.4441
578 R A -2.2806
579 C A -2.5716
580 E A -3.0897
581 S A -2.0808
582 Q A -1.9229
583 V A -0.7031
584 D A -2.2455
585 E A -1.8117
586 C A -1.7344
587 R A -2.6458
588 S A -2.2626
589 Q A -2.5387
590 P A -1.8502
591 C A -1.5970
592 R A -2.3678
593 H A -1.4928
594 G A -2.0632
595 G A -1.9050
596 K A -2.4886
597 C A -1.4815
598 L A -0.4717
599 D A -0.2863
600 L A 1.3430
601 V A 1.3708
602 D A -0.5535
603 K A -0.8490
604 Y A 0.2896
605 L A 0.8047
606 C A -0.9478
607 R A -1.5716
608 C A 0.0000
609 P A -0.9623
610 S A -0.7802
611 G A -0.9103
612 T A -0.5549
613 T A -0.4125
614 G A -0.4911
615 V A 0.4787
616 N A -0.7552
617 C A -1.0700
618 E A -1.6944
619 V A -0.4113
620 N A -0.2894
621 I A 0.3714
622 D A -1.4908
623 D A -1.7225
624 C A -0.7195
625 A A -0.5340
626 S A 0.0592
627 N A 0.0827
628 P A 0.2082
629 C A 0.9543
630 T A 1.0601
631 F A 2.1013
632 G A 1.8918
633 V A 2.0470
634 C A 0.3426
635 R A -1.3434
636 D A -1.3934
637 G A -1.2389
638 I A -0.2992
639 N A -1.7946
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2260 P A -0.8490
2261 P A -0.2157
2262 S A 0.3115
2263 L A 0.8249
2264 S A 0.0000
2265 D A 0.0000
2266 W A 0.8784
2267 S A 0.4760
2268 E A 0.0000
2269 S A 0.0554
2270 T A 0.0156
2271 P A 0.0061
2272 S A 0.0614
2273 P A 0.0990
2274 A A 0.0292
2275 T A 0.0414
2276 A A 0.2326
2277 T A 0.4680
2278 G A 0.0000
2279 A A 0.7984
2280 M A 1.2207
2281 A A 0.5859
2282 T A 0.1197
2283 T A -0.1465
2284 T A -0.1927
2285 G A -0.2588
2286 A A 0.3309
2287 L A 1.2187
2288 P A 0.6579
2289 A A 0.4738
2290 Q A 0.4394
2291 P A 0.2323
2292 L A 0.3889
2293 P A 0.1865
2294 L A 0.5892
2295 S A 0.4683
2296 V A 0.0000
2297 P A -0.1497
2298 S A 0.0000
2299 S A 0.0000
2300 L A 0.9028
2301 A A 0.4717
2302 Q A 0.0434
2303 A A -0.0825
2304 Q A -0.9269
2305 T A -1.0995
2306 Q A -0.8817
2307 L A -0.4594
2308 G A -0.4187
2309 P A -0.3702
2310 Q A -0.2844
2311 P A -0.3798
2312 E A -0.3822
2313 V A 0.5546
2314 T A 0.0000
2315 P A -0.8370
2316 K A -1.8612
2317 R A -1.7901
2318 Q A -1.6934
2319 V A -0.1829
2320 L A 0.3931
2321 A A 0.6637
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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, -0.5317 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 -0.5317 View CSV PDB
model_1 -0.5372 View CSV PDB
model_5 -0.5474 View CSV PDB
model_2 -0.5526 View CSV PDB
model_0 -0.5541 View CSV PDB
model_6 -0.5589 View CSV PDB
model_4 -0.562 View CSV PDB
model_10 -0.5657 View CSV PDB
CABS_average -0.5685 View CSV PDB
model_9 -0.5715 View CSV PDB
model_8 -0.5896 View CSV PDB
model_11 -0.6239 View CSV PDB
model_7 -0.6269 View CSV PDB
input -0.6787 View CSV PDB