Project name: R54C_5_4D

Status: done

Started: 2026-05-21 00:24:10
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGCCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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                                          (00:00:01)
[INFO]       CABS:     Running CABS flex simulation                                                (00:38:12)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (19:01:14)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (19:02:33)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (19:03:50)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (19:05:05)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (19:06:20)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (19:07:36)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (19:08:48)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (19:10:03)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (19:11:19)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (19:12:30)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (19:13:46)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (19:15:02)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (19:16:18)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (19:18:20)
[INFO]       Main:     Simulation completed successfully.                                          (19:19:33)
Show buried residues

Minimal score value
-2.3977
Maximal score value
2.1602
Average score
-0.2134
Total score value
-495.3742

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 0.9651
2 G A -0.4148
3 P A -0.4636
4 G A -0.5777
5 A A -0.0872
6 R A -0.3094
7 G A -0.4135
8 R A -1.0696
9 R A 0.0000
10 R A -0.8660
11 R A -0.9133
12 R A -1.4549
13 R A -2.0828
14 P A -0.4119
15 M A 1.0040
16 S A 0.0000
17 P A -0.2320
18 P A -0.2901
19 P A -0.3397
20 P A -0.3468
21 P A -0.3497
22 P A -0.3525
23 P A 0.0242
24 V A 1.3809
25 R A -1.5018
26 A A -0.0046
27 L A 1.4956
28 P A 0.3724
29 L A 1.2575
30 L A 1.7400
31 L A 0.0000
32 L A 1.5842
33 L A 0.4978
34 A A -0.0105
35 G A -0.4809
36 P A -0.2975
37 G A -0.4777
38 A A -0.0193
39 A A 0.0710
40 A A 0.0195
41 P A 0.0000
42 P A -0.2366
43 C A -0.1550
44 L A 0.0643
45 D A -1.8066
46 G A -0.8064
47 S A 0.0000
48 P A -0.2361
49 C A 0.0540
50 A A -0.1752
51 N A -1.2262
52 G A -0.6831
53 G A 0.0000
54 C A 0.0000
55 C A 0.0000
56 T A -0.2952
57 Q A -1.1213
58 L A -0.0199
59 P A -0.2062
60 S A -0.5607
61 R A -1.9351
62 E A -2.1267
63 A A -0.4766
64 A A 0.0600
65 C A 0.0000
66 L A 0.5751
67 C A 0.0000
68 P A -0.2409
69 P A -0.3137
70 G A -0.1356
71 W A 0.0000
72 V A 0.0000
73 G A -0.2895
74 E A -1.9432
75 R A -2.1931
76 C A 0.0000
77 Q A -1.1450
78 L A 0.0725
79 E A -1.1254
80 D A -1.9610
81 P A -0.3291
82 C A 0.0200
83 H A -0.6669
84 S A -0.3754
85 G A -0.3828
86 P A -0.2539
87 C A 0.1748
88 A A -0.0042
89 G A -0.8065
90 R A -1.9718
91 G A -0.4919
92 V A 0.3454
93 C A -0.0299
94 Q A -1.1787
95 S A -0.2566
96 S A 0.0000
97 V A 0.5185
98 V A 1.8190
99 A A 0.3209
100 G A -0.3896
101 T A -0.1259
102 A A -0.0820
103 R A -0.5581
104 F A 0.0000
105 S A 0.0000
106 C A 0.0000
107 R A -0.2841
108 C A 0.0000
109 P A -0.4042
110 R A -1.8791
111 G A -0.7353
112 F A 0.0320
113 R A -0.2321
114 G A 0.0000
115 P A -0.4331
116 D A -1.7740
117 C A -0.0811
118 S A 0.0002
119 L A 0.9210
120 P A 0.1492
121 D A -0.2544
122 P A -0.2686
123 C A 0.2458
124 L A 0.8292
125 S A -0.0670
126 S A -0.0957
127 P A -0.1706
128 C A 0.4912
129 A A 0.0205
130 H A -0.5576
131 G A -0.5521
132 A A -0.4257
133 R A -1.7681
134 C A -0.0056
135 S A 0.2402
136 V A 1.6489
137 G A -0.2001
138 P A -0.2834
139 D A -1.8873
140 G A -1.2152
141 R A -1.9341
142 F A 0.0000
143 L A 1.4092
144 C A 0.0000
145 S A -0.0860
146 C A 0.0000
147 P A 0.0000
148 P A -0.2293
149 G A 0.1135
150 Y A 1.2632
151 Q A -0.2084
152 G A -0.7342
153 R A -1.2943
154 S A -0.3078
155 C A 0.1936
156 R A -1.7599
157 S A -0.6976
158 D A -0.6400
159 V A 0.0000
160 D A -0.8943
161 E A -0.7811
162 C A 0.0000
163 R A -1.8408
164 V A 0.3586
165 G A -0.4727
166 E A -1.2123
167 P A -0.4345
168 C A -0.2778
169 R A -2.0171
170 H A -1.4385
171 G A -0.6632
172 G A -0.2745
173 T A -0.1294
174 C A 0.2338
175 L A 0.4574
176 N A -0.1654
177 T A -0.1450
178 P A -0.3233
179 G A -0.3905
180 S A 0.1118
181 F A 1.0917
182 R A -1.4674
183 C A -0.4246
184 Q A -1.0088
185 C A 0.0442
186 P A -0.1951
187 A A -0.0504
188 G A 0.1449
189 Y A 1.2481
190 T A 0.1302
191 G A -0.3547
192 P A -0.2355
193 L A 0.3552
194 C A 0.0000
195 E A -0.3446
196 N A -0.2675
197 P A -0.2220
198 A A 0.0848
199 V A 0.2664
200 P A -0.0566
201 C A 0.6863
202 A A 0.1202
203 P A -0.2117
204 S A -0.1116
205 P A -0.2449
206 C A -0.3175
207 R A -1.9787
208 N A -1.2295
209 G A -0.7074
210 G A -0.5566
211 T A -0.0011
212 C A 0.3766
213 R A -1.9290
214 Q A -1.5232
215 S A -0.2685
216 G A -0.8258
217 D A -1.6161
218 L A 0.9785
219 T A 0.2788
220 Y A -0.1413
221 D A -1.7271
222 C A 0.0000
223 A A 0.0569
224 C A 0.2184
225 L A 0.7895
226 P A 0.0392
227 G A 0.0076
228 F A 1.5911
229 E A -0.8433
230 G A -0.6945
231 Q A -1.2862
232 N A -0.4780
233 C A -0.1073
234 E A -0.4993
235 V A 0.0782
236 N A 0.0000
237 V A 1.0128
238 D A -0.3740
239 D A -1.5049
240 C A 0.2943
241 P A -0.1112
242 G A -0.4436
243 H A -0.5402
244 R A -1.8628
245 C A 0.0000
246 L A 1.3991
247 N A -0.5894
248 G A -0.7031
249 G A -0.5569
250 T A -0.0456
251 C A 0.4628
252 V A 0.6758
253 D A -0.6351
254 G A -0.2597
255 V A 0.2081
256 N A -0.3926
257 T A 0.1043
258 Y A 0.9639
259 N A -0.9767
260 C A -0.1492
261 Q A -0.8105
262 C A -0.1199
263 P A -0.2424
264 P A -0.3986
265 E A -1.5798
266 W A 0.8338
267 T A 0.1062
268 G A -0.6965
269 Q A -0.9176
270 F A 1.7138
271 C A 0.0000
272 T A -0.0242
273 E A 0.0000
274 D A -1.3731
275 V A -0.5093
276 D A -1.3481
277 E A -0.7155
278 C A 0.0000
279 Q A -0.9070
280 L A 1.0211
281 Q A -0.9248
282 P A -0.4334
283 N A -0.1769
284 A A -0.0191
285 C A 0.0000
286 H A 0.0000
287 N A -0.4350
288 G A -0.3582
289 G A -0.4993
290 T A -0.0841
291 C A 0.4673
292 F A 1.8711
293 N A -0.0882
294 T A -0.1315
295 L A 0.5083
296 G A -0.3954
297 G A -0.5081
298 H A -1.1018
299 S A -0.1213
300 C A 0.4164
301 V A 1.8089
302 C A 0.7585
303 V A 1.7505
304 N A 0.1678
305 G A -0.3969
306 W A 1.0701
307 T A 0.1139
308 G A -0.8064
309 E A -1.9104
310 S A -0.3620
311 C A 0.0000
312 S A 0.0000
313 Q A 0.0000
314 N A -1.0798
315 I A 0.0000
316 D A -0.9646
317 D A -0.9344
318 C A 0.0000
319 A A 0.1465
320 T A -0.0514
321 A A 0.2088
322 V A 0.8721
323 C A 0.0000
324 F A 0.1849
325 H A -0.5641
326 G A -0.2758
327 A A -0.0093
328 T A 0.0545
329 C A 0.2820
330 H A -0.2798
331 D A -1.3794
332 R A 0.0000
333 V A 0.0000
334 A A 0.0000
335 S A -0.0228
336 F A 0.0000
337 Y A 0.3302
338 C A 0.0000
339 A A 0.0000
340 C A 0.0000
341 P A -0.2909
342 M A 0.3183
343 G A -0.0020
344 K A 0.0000
345 T A -0.0109
346 G A 0.0000
347 L A 0.2411
348 L A 0.0000
349 C A 0.0000
350 H A 0.0000
351 L A 0.2426
352 D A -0.2955
353 D A -0.6130
354 A A 0.0872
355 C A 0.0000
356 V A 1.7334
357 S A -0.0331
358 N A -0.9174
359 P A -0.3881
360 C A 0.0358
361 H A -0.4694
362 E A -1.1573
363 D A -1.9308
364 A A -0.1259
365 I A 1.8051
366 C A 0.4001
367 D A -0.4000
368 T A -0.0924
369 N A 0.0000
370 P A 0.0000
371 V A 0.0000
372 N A -1.3601
373 G A -0.7042
374 R A 0.0000
375 A A 0.0085
376 I A 0.0000
377 C A 0.0000
378 T A 0.0000
379 C A 0.0000
380 P A 0.0000
381 P A 0.0000
382 G A -0.2698
383 F A 0.0000
384 T A 0.0000
385 G A 0.0000
386 G A 0.0000
387 A A 0.0585
388 C A 0.0000
389 D A -1.7253
390 Q A 0.0000
391 D A -0.2207
392 V A 0.6635
393 D A 0.0000
394 E A -1.6803
395 C A 0.3447
396 S A 0.3038
397 I A 1.9014
398 G A 0.0183
399 A A -0.2964
400 N A -1.3007
401 P A 0.0000
402 C A 0.0000
403 E A -2.0073
404 H A -1.2462
405 L A 0.2203
406 G A -0.6413
407 R A -1.8554
408 C A 0.0437
409 V A 0.2219
410 N A -0.0487
411 T A -0.0753
412 Q A -0.1772
413 G A -0.1301
414 S A -0.1236
415 F A 0.6271
416 L A 0.9508
417 C A 0.1853
418 Q A -0.5506
419 C A -0.1074
420 G A -0.4994
421 R A -0.3905
422 G A -0.0811
423 Y A 0.4308
424 T A 0.0000
425 G A -0.2893
426 P A -0.4199
427 R A -0.2487
428 C A -0.0008
429 E A -0.4391
430 T A 0.0000
431 D A 0.0000
432 V A 0.4621
433 N A -0.1247
434 E A -0.5457
435 C A 0.0000
436 L A 0.2244
437 S A -0.1279
438 G A -0.1968
439 P A -0.2366
440 C A -0.2493
441 R A -1.8359
442 N A -0.8004
443 Q A -1.2364
444 A A -0.2268
445 T A -0.0771
446 C A 0.0000
447 L A 0.7748
448 D A -0.3073
449 R A -1.4222
450 I A 0.0233
451 G A -0.5122
452 Q A -0.8947
453 F A 0.0000
454 T A -0.0113
455 C A 0.3285
456 I A 1.2939
457 C A 0.6464
458 M A 0.9827
459 A A 0.1503
460 G A -0.1605
461 F A 1.8660
462 T A 0.2138
463 G A -0.4938
464 T A -0.0845
465 Y A 0.3939
466 C A 0.0000
467 E A -0.4803
468 V A 0.1531
469 D A -0.6925
470 I A 0.3472
471 D A -1.9048
472 E A -1.8057
473 C A 0.0000
474 Q A -1.2382
475 S A -0.4546
476 S A -0.1502
477 P A -0.1048
478 C A 0.0000
479 V A 1.7333
480 N A 0.0829
481 G A -0.4538
482 G A -0.2758
483 V A 1.2606
484 C A 0.0656
485 K A -2.0365
486 D A -2.2656
487 R A -1.9228
488 V A 1.3039
489 N A -0.5411
490 G A 0.1623
491 F A 1.7159
492 S A 0.1222
493 C A 0.2208
494 T A -0.0040
495 C A 0.0651
496 P A -0.1567
497 S A -0.2916
498 G A -0.0813
499 F A 1.1717
500 S A -0.0074
501 G A -0.2661
502 S A -0.2580
503 T A -0.0894
504 C A 0.0000
505 Q A -1.0145
506 L A 0.1287
507 D A -0.2078
508 V A 0.6048
509 D A -0.5727
510 E A -1.8553
511 C A -0.1538
512 A A 0.0455
513 S A -0.0407
514 T A -0.0935
515 P A -0.0742
516 C A -0.0524
517 R A -1.3819
518 N A -1.5690
519 G A -0.8206
520 A A -0.3976
521 K A -1.6478
522 C A 0.1863
523 V A 1.0011
524 D A -1.6000
525 Q A -1.2212
526 P A -0.7497
527 D A -1.8510
528 G A -0.3237
529 Y A 0.4056
530 E A -1.6408
531 C A 0.0000
532 R A -1.8441
533 C A 0.0000
534 A A -0.0608
535 E A -0.3538
536 G A -0.3924
537 F A 1.0454
538 E A -1.5316
539 G A -0.4777
540 T A 0.0654
541 L A 0.8235
542 C A 0.0000
543 D A -0.6433
544 R A -0.5830
545 N A -1.2794
546 V A 0.1724
547 D A -1.8707
548 D A -1.4809
549 C A 0.0444
550 S A -0.1373
551 P A -0.2949
552 D A -0.4524
553 P A -0.1907
554 C A 0.5005
555 H A -1.2394
556 H A -1.2606
557 G A -0.9460
558 R A -1.8175
559 C A 0.4306
560 V A 1.0313
561 D A -1.6371
562 G A -0.4226
563 I A 1.9331
564 A A 0.4044
565 S A 0.0514
566 F A 1.2797
567 S A 0.3344
568 C A 0.0000
569 A A 0.0198
570 C A 0.0000
571 A A -0.0377
572 P A -0.2752
573 G A -0.1870
574 Y A -0.0196
575 T A -0.0993
576 G A -0.4818
577 T A -0.2904
578 R A -0.6409
579 C A -0.3434
580 E A -1.9440
581 S A -0.7712
582 Q A -1.1246
583 V A -0.0532
584 D A -1.7710
585 E A -0.7214
586 C A -0.4404
587 R A -1.9856
588 S A -0.7526
589 Q A -1.2763
590 P A -0.2864
591 C A -0.2666
592 R A -1.9331
593 H A -1.0242
594 G A -0.5842
595 G A -0.5504
596 K A -1.6961
597 C A 0.0734
598 L A 1.2557
599 D A 0.1637
600 L A 1.8141
601 V A 2.0693
602 D A 0.0000
603 K A -1.6733
604 Y A 0.0710
605 L A 1.7170
606 C A 0.6820
607 R A -1.6056
608 C A 0.1243
609 P A -0.0965
610 S A -0.2736
611 G A -0.5093
612 T A -0.1634
613 T A -0.1869
614 G A -0.0617
615 V A 1.4837
616 N A -0.8280
617 C A 0.3181
618 E A -0.6489
619 V A 0.2405
620 N A -0.1527
621 I A 0.8900
622 D A -1.5909
623 D A -0.4409
624 C A 0.6904
625 A A 0.0854
626 S A -0.2675
627 N A -0.3965
628 P A -0.2869
629 C A 0.0637
630 T A 0.3099
631 F A 1.8935
632 G A 0.5242
633 V A 1.5609
634 C A 0.1631
635 R A -2.0134
636 D A -1.4776
637 G A -0.2027
638 I A 1.7359
639 N A -1.2324
640 R A -2.0615
641 Y A -0.2542
642 D A -0.5891
643 C A 0.1158
644 V A 0.7012
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1914 A A 0.0000
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1930 A A 0.0000
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1940 K A -0.4161
1941 S A 0.0000
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1944 H A 0.0000
1945 W A 0.0871
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1949 V A 0.3908
1950 N A -0.2184
1951 N A -0.1322
1952 V A 0.1084
1953 E A -1.6378
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.7372
1957 A A 0.0000
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1960 K A -1.6422
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1962 G A -0.1756
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1965 K A -0.3275
1966 D A 0.0000
1967 M A -0.0362
1968 Q A -1.2443
1969 D A -0.7270
1970 S A -0.4560
1971 K A -1.7091
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 0.1134
1979 A A 0.0000
1980 A A 0.0000
1981 R A -0.9938
1982 E A -1.4009
1983 G A -0.3202
1984 S A -0.1546
1985 Y A -0.1179
1986 E A -1.1645
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.1116
1990 L A 0.0674
1991 L A 0.0000
1992 L A 0.0050
1993 D A -1.3902
1994 H A -1.1735
1995 F A 0.1376
1996 A A 0.0709
1997 N A 0.0000
1998 R A 0.0000
1999 E A 0.0000
2000 I A 0.0000
2001 T A -0.3294
2002 D A -1.6908
2003 H A -1.2288
2004 L A -0.2771
2005 D A -1.8639
2006 R A -0.9896
2007 L A 0.0000
2008 P A 0.0000
2009 R A 0.0000
2010 D A -0.2550
2011 V A 0.0000
2012 A A 0.0000
2013 Q A 0.0000
2014 E A -1.3796
2015 R A -1.8840
2016 L A 0.4474
2017 H A -0.2701
2018 Q A -1.3814
2019 D A -1.0463
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2021 V A 0.0000
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2274 A A 0.0084
2275 T A 0.0144
2276 A A 0.0514
2277 T A -0.1078
2278 G A -0.4606
2279 A A -0.0075
2280 M A 0.1387
2281 A A 0.0000
2282 T A -0.0383
2283 T A -0.0375
2284 T A -0.0653
2285 G A -0.2230
2286 A A 0.3035
2287 L A 1.5499
2288 P A 0.2652
2289 A A -0.1752
2290 Q A -1.2119
2291 P A -0.1974
2292 L A 0.7966
2293 P A 0.4356
2294 L A 1.4983
2295 S A 0.0698
2296 V A 0.0000
2297 P A -0.3030
2298 S A -0.2213
2299 S A -0.1817
2300 L A 0.7709
2301 A A 0.0000
2302 Q A -1.2067
2303 A A -0.3861
2304 Q A -1.2009
2305 T A -0.4296
2306 Q A -0.4125
2307 L A 1.4049
2308 G A 0.1699
2309 P A -0.3041
2310 Q A -0.2526
2311 P A -0.2701
2312 E A 0.0000
2313 V A 0.0000
2314 T A 0.0000
2315 P A -0.5779
2316 K A -2.1020
2317 R A -2.3977
2318 Q A -1.3487
2319 V A 0.8187
2320 L A 0.0000
2321 A A 0.0585
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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, -0.2134 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 -0.2134 View CSV PDB
model_10 -0.2206 View CSV PDB
model_1 -0.2215 View CSV PDB
model_9 -0.2234 View CSV PDB
model_2 -0.2235 View CSV PDB
model_7 -0.2259 View CSV PDB
CABS_average -0.2266 View CSV PDB
model_5 -0.2283 View CSV PDB
model_11 -0.2289 View CSV PDB
model_6 -0.2295 View CSV PDB
model_8 -0.2309 View CSV PDB
model_0 -0.2326 View CSV PDB
model_4 -0.2409 View CSV PDB
input -0.2807 View CSV PDB