Project name: C123Y_5_4D

Status: done

Started: 2026-05-18 03:49:36
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPYLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:00:02)
[INFO]       CABS:     Running CABS flex simulation                                                (00:33:02)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (21:53:17)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (21:54:42)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (21:55:54)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (21:57:16)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (21:58:41)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (22:00:06)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (22:01:30)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (22:02:49)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (22:04:09)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (22:05:30)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (22:06:49)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (22:08:10)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (22:09:31)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (22:12:08)
[INFO]       Main:     Simulation completed successfully.                                          (22:13:28)
Show buried residues

Minimal score value
-2.4968
Maximal score value
2.1755
Average score
-0.205
Total score value
-475.802

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 0.9636
2 G A -0.2740
3 P A -0.1652
4 G A -0.1017
5 A A -0.1672
6 R A -1.1443
7 G A -0.6688
8 R A 0.0000
9 R A -1.8441
10 R A 0.0000
11 R A -1.9831
12 R A -0.9681
13 R A -1.4470
14 P A -0.4120
15 M A 0.0000
16 S A -0.0962
17 P A -0.2699
18 P A -0.1516
19 P A -0.2683
20 P A -0.0799
21 P A 0.0000
22 P A -0.1307
23 P A -0.1819
24 V A 0.1506
25 R A 0.0000
26 A A 0.3240
27 L A 1.4275
28 P A 0.0000
29 L A 0.0000
30 L A 0.2615
31 L A 0.6039
32 L A 0.4493
33 L A 0.2477
34 A A 0.0650
35 G A -0.3737
36 P A -0.4045
37 G A -0.3489
38 A A 0.0013
39 A A 0.0353
40 A A 0.0609
41 P A 0.0000
42 P A 0.0000
43 C A 0.1815
44 L A 1.2168
45 D A -1.4845
46 G A -0.4182
47 S A -0.2219
48 P A 0.0000
49 C A 0.1240
50 A A 0.0153
51 N A -0.4239
52 G A -0.6268
53 G A -0.3986
54 R A 0.0000
55 C A 0.3135
56 T A -0.0406
57 Q A -0.2100
58 L A 1.1604
59 P A 0.0803
60 S A 0.0618
61 R A 0.0000
62 E A -1.8010
63 A A 0.0000
64 A A 0.0087
65 C A 0.0000
66 L A 1.5781
67 C A 0.4097
68 P A -0.2390
69 P A -0.2074
70 G A -0.4799
71 W A 0.0000
72 V A 0.0000
73 G A -0.1644
74 E A -0.6731
75 R A -0.9477
76 C A 0.0000
77 Q A -0.2590
78 L A 0.0000
79 E A -0.3833
80 D A 0.0000
81 P A 0.0926
82 C A 0.5366
83 H A -0.8923
84 S A -0.4535
85 G A -0.3534
86 P A -0.1808
87 C A 0.0966
88 A A 0.0687
89 G A -0.3976
90 R A -1.8992
91 G A -0.2516
92 V A 1.7805
93 C A 0.3849
94 Q A -1.1675
95 S A -0.3090
96 S A -0.1683
97 V A 0.2627
98 V A 0.0000
99 A A -0.0473
100 G A -0.4589
101 T A 0.0000
102 A A 0.0000
103 R A -1.1008
104 F A -0.0369
105 S A -0.1327
106 C A 0.0000
107 R A -1.8304
108 C A -0.3273
109 P A -0.5888
110 R A -1.8248
111 G A -0.5614
112 F A 0.7545
113 R A -1.6156
114 G A -0.6100
115 P A -0.6258
116 D A -1.7168
117 C A -0.0847
118 S A -0.1511
119 L A 0.1442
120 P A 0.1188
121 D A -0.2768
122 P A -0.2706
123 Y A 0.3850
124 L A 1.5576
125 S A 0.1609
126 S A -0.2965
127 P A -0.3013
128 C A 0.0368
129 A A -0.1598
130 H A -1.0610
131 G A -0.6094
132 A A -0.4159
133 R A -1.7861
134 C A -0.1030
135 S A -0.0516
136 V A 0.3469
137 G A -0.0547
138 P A -0.5834
139 D A -1.9259
140 G A -1.1700
141 R A -1.9354
142 F A 0.0000
143 L A 1.5658
144 C A 0.3990
145 S A -0.0756
146 C A 0.0000
147 P A -0.1526
148 P A -0.1340
149 G A 0.0666
150 Y A 1.0214
151 Q A -1.0366
152 G A -1.0206
153 R A -1.9658
154 S A -0.5442
155 C A 0.0000
156 R A -0.7007
157 S A -0.2826
158 D A -0.2592
159 V A 0.3174
160 D A -0.4929
161 E A -0.3595
162 C A 0.0000
163 R A -1.5029
164 V A 1.3305
165 G A -0.2409
166 E A -0.6896
167 P A -0.2763
168 C A -0.1783
169 R A -1.8698
170 H A -0.7831
171 G A -0.6193
172 G A -0.5601
173 T A -0.0708
174 C A 0.5192
175 L A 1.1530
176 N A -0.0972
177 T A -0.1325
178 P A -0.1774
179 G A -0.1954
180 S A -0.1379
181 F A 0.0000
182 R A -1.7175
183 C A 0.0000
184 Q A -1.0474
185 C A -0.0138
186 P A -0.1976
187 A A -0.0039
188 G A -0.0624
189 Y A 0.0000
190 T A -0.1395
191 G A 0.0000
192 P A -0.1005
193 L A 1.5137
194 C A 0.0000
195 E A -2.0426
196 N A -1.5776
197 P A -0.4675
198 A A 0.0701
199 V A 0.1643
200 P A -0.1653
201 C A 0.2098
202 A A 0.0264
203 P A -0.2043
204 S A -0.2092
205 P A -0.2328
206 C A 0.0000
207 R A -2.0887
208 N A -1.7146
209 G A -0.7931
210 G A -0.5662
211 T A -0.1072
212 C A -0.1461
213 R A -1.8869
214 Q A -0.8359
215 S A -0.3869
216 G A -0.6639
217 D A -0.7522
218 L A 0.6454
219 T A 0.1104
220 Y A 0.0000
221 D A -0.6057
222 C A 0.0000
223 A A 0.0145
224 C A 0.0000
225 L A 1.2605
226 P A 0.2063
227 G A -0.2945
228 F A 0.5166
229 E A -1.5278
230 G A -0.9918
231 Q A -1.4117
232 N A -0.9796
233 C A -0.3669
234 E A -1.0480
235 V A 0.0000
236 N A -1.2730
237 V A 0.0000
238 D A -0.8413
239 D A -0.3856
240 C A 0.7167
241 P A -0.0164
242 G A -0.6584
243 H A -1.3932
244 R A -2.0024
245 C A -0.1917
246 L A -0.0209
247 N A -1.3246
248 G A -0.7403
249 G A -0.2655
250 T A -0.0629
251 C A 0.0000
252 V A 0.5043
253 D A -0.1847
254 G A 0.0843
255 V A 1.5059
256 N A -0.9493
257 T A -0.2532
258 Y A 0.0092
259 N A -1.1890
260 C A -0.3257
261 Q A -1.1700
262 C A 0.0000
263 P A -0.2218
264 P A -0.4643
265 E A -0.9498
266 W A 0.9433
267 T A 0.1923
268 G A -0.3225
269 Q A -0.8468
270 F A 1.7132
271 C A 0.0000
272 T A -0.3888
273 E A -1.7382
274 D A 0.0000
275 V A 0.5776
276 D A -0.2482
277 E A -0.6356
278 C A 0.0000
279 Q A -1.0396
280 L A 0.3141
281 Q A -1.0876
282 P A -0.4772
283 N A 0.0000
284 A A 0.0546
285 C A -0.0323
286 H A -0.5833
287 N A 0.0000
288 G A 0.0000
289 G A 0.0000
290 T A 0.0000
291 C A 0.0000
292 F A 0.1891
293 N A -0.4837
294 T A 0.1645
295 L A 1.5236
296 G A -0.1922
297 G A -0.3680
298 H A -1.0595
299 S A -0.2346
300 C A 0.0000
301 V A 0.2698
302 C A 0.3185
303 V A 0.2186
304 N A -0.2335
305 G A -0.1351
306 W A 0.0000
307 T A 0.0000
308 G A -0.8164
309 E A -1.9361
310 S A -0.4466
311 C A 0.1166
312 S A -0.3746
313 Q A -1.1819
314 N A -0.6816
315 I A 0.1113
316 D A -1.7960
317 D A -0.9065
318 C A 0.0861
319 A A 0.0000
320 T A -0.0597
321 A A 0.2301
322 V A 1.0000
323 C A 0.0000
324 F A 0.2023
325 H A 0.0000
326 G A -0.2502
327 A A -0.0096
328 T A -0.0692
329 C A 0.0000
330 H A -0.5377
331 D A -0.7820
332 R A -1.2684
333 V A 0.0000
334 A A 0.0168
335 S A -0.0912
336 F A 0.4351
337 Y A 1.3555
338 C A 0.0000
339 A A 0.0309
340 C A 0.0895
341 P A 0.0825
342 M A 0.4536
343 G A -0.3368
344 K A -0.2981
345 T A -0.1035
346 G A -0.1102
347 L A 0.8872
348 L A 1.6710
349 C A 0.0000
350 H A -0.1457
351 L A 0.0000
352 D A 0.0000
353 D A 0.0000
354 A A 0.0000
355 C A 0.1264
356 V A 0.0000
357 S A 0.0000
358 N A -0.3942
359 P A 0.0000
360 C A 0.0000
361 H A -0.1800
362 E A 0.0000
363 D A -0.3252
364 A A 0.2623
365 I A 1.7470
366 C A 0.3672
367 D A -1.1112
368 T A -0.4783
369 N A -1.2808
370 P A -0.0571
371 V A 1.4110
372 N A -0.3081
373 G A 0.0000
374 R A -1.8441
375 A A 0.0000
376 I A 1.6340
377 C A 0.0000
378 T A -0.0171
379 C A 0.0000
380 P A -0.2270
381 P A -0.1834
382 G A 0.0000
383 F A 0.3021
384 T A 0.0244
385 G A -0.1856
386 G A -0.2918
387 A A -0.0418
388 C A 0.0000
389 D A -0.4117
390 Q A 0.0000
391 D A -1.7894
392 V A 0.0000
393 D A -0.8589
394 E A -0.3353
395 C A 0.0000
396 S A 0.3567
397 I A 1.9222
398 G A -0.0819
399 A A -0.2703
400 N A -1.2724
401 P A -0.2954
402 C A 0.0000
403 E A -0.3228
404 H A -0.6772
405 L A -0.0026
406 G A -0.7786
407 R A -1.8732
408 C A 0.0358
409 V A 0.4381
410 N A -0.3119
411 T A -0.1049
412 Q A 0.0000
413 G A -0.2429
414 S A -0.0300
415 F A 0.3806
416 L A 0.7371
417 C A 0.0000
418 Q A -0.5630
419 C A 0.0000
420 G A -0.7850
421 R A -1.8471
422 G A -0.6012
423 Y A 0.4731
424 T A -0.0146
425 G A -0.5007
426 P A -0.5796
427 R A -1.8378
428 C A -0.1936
429 E A 0.0000
430 T A 0.0000
431 D A 0.0000
432 V A 0.5788
433 N A 0.0000
434 E A -0.9300
435 C A 0.1845
436 L A 1.5260
437 S A -0.0684
438 G A -0.5512
439 P A -0.3243
440 C A -0.2948
441 R A -1.8728
442 N A -0.8425
443 Q A -1.2420
444 A A -0.2149
445 T A -0.0389
446 C A 0.3854
447 L A 1.3166
448 D A -0.3503
449 R A -1.8927
450 I A 0.0000
451 G A -0.4734
452 Q A -1.1587
453 F A 0.1329
454 T A 0.0298
455 C A 0.0000
456 I A 1.1170
457 C A 0.0000
458 M A 1.0558
459 A A 0.3254
460 G A -0.1241
461 F A 1.7231
462 T A 0.1930
463 G A -0.4442
464 T A 0.1017
465 Y A 1.3028
466 C A 0.0000
467 E A -1.6038
468 V A -0.1164
469 D A -1.6411
470 I A -0.2396
471 D A -1.8825
472 E A -1.1615
473 C A 0.1700
474 Q A -1.1313
475 S A -0.4566
476 S A -0.1498
477 P A -0.0142
478 C A 0.3653
479 V A 0.0182
480 N A -1.2592
481 G A -0.4437
482 G A -0.1298
483 V A 1.7082
484 C A 0.1804
485 K A -1.6942
486 D A -1.3539
487 R A -1.6422
488 V A 1.1785
489 N A -0.9506
490 G A -0.4565
491 F A 0.2201
492 S A -0.2480
493 C A 0.0000
494 T A -0.0521
495 C A -0.0330
496 P A -0.2408
497 S A -0.1147
498 G A -0.0829
499 F A 0.5256
500 S A -0.0412
501 G A -0.5179
502 S A -0.3029
503 T A -0.0932
504 C A -0.0689
505 Q A -0.5705
506 L A 0.2926
507 D A -0.7546
508 V A -0.2758
509 D A -1.8171
510 E A -0.7345
511 C A -0.0213
512 A A 0.0317
513 S A -0.1957
514 T A -0.1000
515 P A -0.2450
516 C A -0.3237
517 R A -2.0339
518 N A -1.5149
519 G A -0.6647
520 A A -0.1458
521 K A -0.3950
522 C A 0.3281
523 V A 0.9877
524 D A -0.4302
525 Q A -1.3663
526 P A -0.8178
527 D A -1.8564
528 G A -0.3279
529 Y A 1.1244
530 E A -0.2630
531 C A -0.3110
532 R A -1.8215
533 C A 0.0000
534 A A -0.2767
535 E A -1.8213
536 G A -0.4364
537 F A 0.5569
538 E A -1.0294
539 G A -0.6577
540 T A 0.1511
541 L A 1.5529
542 C A 0.1951
543 D A -1.2594
544 R A -2.1417
545 N A -0.7196
546 V A 1.3900
547 D A -0.4086
548 D A -1.8314
549 C A -0.2114
550 S A -0.2562
551 P A -0.6517
552 D A -1.8434
553 P A -0.5168
554 C A 0.1684
555 H A -1.1054
556 H A -1.2075
557 G A -0.6913
558 R A -1.8385
559 C A 0.1605
560 V A 1.4074
561 D A -1.3441
562 G A -0.3953
563 I A 1.9357
564 A A 0.4119
565 S A -0.1055
566 F A 0.0133
567 S A -0.0108
568 C A 0.0000
569 A A 0.0454
570 C A 0.0623
571 A A 0.0000
572 P A -0.2016
573 G A -0.2321
574 Y A 1.1980
575 T A 0.0000
576 G A -0.0765
577 T A -0.3597
578 R A -1.7837
579 C A -0.3756
580 E A -1.7908
581 S A -0.6577
582 Q A -0.5300
583 V A -0.1107
584 D A -0.8603
585 E A -0.8545
586 C A -0.4532
587 R A -1.8472
588 S A -0.7542
589 Q A -1.2646
590 P A -0.4580
591 C A -0.3243
592 R A -1.9764
593 H A -1.1891
594 G A -0.5334
595 G A -0.6744
596 K A -1.8474
597 C A 0.2946
598 L A 0.6856
599 D A -0.2310
600 L A 0.8051
601 V A 1.7954
602 D A -0.6142
603 K A -1.6899
604 Y A 0.0055
605 L A 0.6181
606 C A 0.0000
607 R A -2.0148
608 C A 0.0000
609 P A -0.2945
610 S A -0.3502
611 G A -0.5074
612 T A 0.0000
613 T A 0.0127
614 G A -0.2581
615 V A 0.7932
616 N A -1.0614
617 C A 0.0000
618 E A -1.6387
619 V A 0.5994
620 N A 0.4172
621 I A 1.9352
622 D A -0.1756
623 D A -1.4978
624 C A 0.4438
625 A A 0.1558
626 S A -0.2653
627 N A -0.4216
628 P A -0.3046
629 C A 0.0253
630 T A 0.3738
631 F A 1.9004
632 G A 0.5582
633 V A 1.7355
634 C A 0.0000
635 R A -1.9692
636 D A -1.0133
637 G A -0.3253
638 I A 0.1043
639 N A -0.9816
640 R A -1.8362
641 Y A 0.0184
642 D A -0.9342
643 C A 0.0000
644 V A 0.5238
645 C A 0.0000
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1945 W A 0.2144
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1949 V A 0.3102
1950 N A -0.3436
1951 N A -0.1625
1952 V A 0.4618
1953 E A -1.1313
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6775
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1958 L A 0.0000
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1963 A A 0.0000
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1966 D A -1.2017
1967 M A -0.2086
1968 Q A -0.5949
1969 D A -0.6187
1970 S A -0.4354
1971 K A -1.7041
1972 E A 0.0000
1973 E A -1.8104
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
1979 A A 0.0000
1980 A A 0.0000
1981 R A -2.0958
1982 E A -1.6522
1983 G A -0.4998
1984 S A 0.0000
1985 Y A 0.4913
1986 E A -0.3810
1987 A A 0.0000
1988 A A 0.0000
1989 K A -0.5016
1990 L A 0.0152
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.9401
1994 H A -1.2720
1995 F A 0.0927
1996 A A 0.0419
1997 N A -0.3823
1998 R A 0.0000
1999 E A -0.2908
2000 I A 0.0000
2001 T A 0.0000
2002 D A -0.6481
2003 H A -0.4122
2004 L A 0.0000
2005 D A -2.1549
2006 R A -2.1169
2007 L A 0.0163
2008 P A 0.0000
2009 R A -1.9920
2010 D A -1.8033
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.4860
2014 E A -2.3231
2015 R A -1.8846
2016 L A 0.9959
2017 H A -0.2674
2018 Q A -1.4069
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2022 R A -1.8533
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2274 A A 0.0000
2275 T A 0.0029
2276 A A 0.0546
2277 T A -0.0687
2278 G A -0.3477
2279 A A 0.1804
2280 M A 1.0730
2281 A A 0.2559
2282 T A -0.0193
2283 T A -0.0788
2284 T A -0.1274
2285 G A -0.4683
2286 A A 0.0975
2287 L A 0.8642
2288 P A 0.0838
2289 A A -0.1931
2290 Q A -1.2576
2291 P A -0.5871
2292 L A 0.0000
2293 P A -0.1322
2294 L A 0.0000
2295 S A -0.0641
2296 V A 0.6612
2297 P A -0.0891
2298 S A -0.2999
2299 S A 0.0421
2300 L A 1.5088
2301 A A 0.2161
2302 Q A -0.4275
2303 A A -0.0287
2304 Q A 0.0000
2305 T A -0.1776
2306 Q A -0.0941
2307 L A 0.8124
2308 G A 0.0605
2309 P A -0.1540
2310 Q A -0.3062
2311 P A -0.6364
2312 E A -1.5251
2313 V A 1.4179
2314 T A 0.2609
2315 P A -0.5687
2316 K A -1.9496
2317 R A -2.3752
2318 Q A -1.2145
2319 V A 1.6138
2320 L A 0.7259
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, -0.205 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_9 -0.205 View CSV PDB
model_6 -0.2068 View CSV PDB
model_0 -0.2083 View CSV PDB
model_3 -0.211 View CSV PDB
model_2 -0.2131 View CSV PDB
model_1 -0.2148 View CSV PDB
model_7 -0.2164 View CSV PDB
CABS_average -0.217 View CSV PDB
model_5 -0.218 View CSV PDB
model_8 -0.2219 View CSV PDB
model_4 -0.224 View CSV PDB
model_10 -0.2267 View CSV PDB
model_11 -0.2379 View CSV PDB
input -0.2815 View CSV PDB