Project name: C511Y_5_4D

Status: done

Started: 2026-05-19 00:24:38
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDEYASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:32:38)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (18:02:15)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (18:02:55)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (18:03:35)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (18:04:14)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (18:04:53)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (18:05:32)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (18:06:13)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (18:06:53)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (18:07:33)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (18:08:13)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (18:08:53)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (18:09:32)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (18:10:12)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (18:11:29)
[INFO]       Main:     Simulation completed successfully.                                          (18:12:09)
Show buried residues

Minimal score value
-2.6042
Maximal score value
2.631
Average score
-0.2228
Total score value
-517.1657

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 1.0161
2 G A -0.0138
3 P A -0.0963
4 G A 0.0000
5 A A -0.0181
6 R A -0.4454
7 G A -0.6853
8 R A -2.2402
9 R A -2.6042
10 R A -2.5522
11 R A -2.3753
12 R A -1.4085
13 R A -0.9368
14 P A -0.2692
15 M A 0.6299
16 S A 0.0038
17 P A -0.2706
18 P A 0.0000
19 P A -0.2147
20 P A 0.0000
21 P A -0.2706
22 P A -0.1499
23 P A 0.2153
24 V A 1.3927
25 R A -1.4920
26 A A -0.0222
27 L A 1.5203
28 P A 0.1170
29 L A 0.0000
30 L A 1.3873
31 L A 0.0000
32 L A 1.5873
33 L A 0.5147
34 A A 0.0851
35 G A -0.0813
36 P A -0.2404
37 G A -0.5336
38 A A -0.0695
39 A A 0.0623
40 A A 0.0412
41 P A -0.1172
42 P A -0.2464
43 C A 0.3012
44 L A 1.0568
45 D A -0.7496
46 G A -0.6455
47 S A -0.1689
48 P A -0.1336
49 C A 0.6323
50 A A -0.0610
51 N A -1.2724
52 G A -0.4172
53 G A -0.5901
54 R A -0.5960
55 C A 0.2668
56 T A -0.1914
57 Q A -1.1135
58 L A 0.2025
59 P A -0.1393
60 S A -0.1403
61 R A -0.4188
62 E A -0.3570
63 A A -0.1770
64 A A 0.0073
65 C A 0.0000
66 L A 0.1447
67 C A 0.0000
68 P A -0.0112
69 P A -0.3137
70 G A -0.2259
71 W A 0.2837
72 V A 0.0000
73 G A 0.0000
74 E A -0.6530
75 R A -1.1480
76 C A -0.3503
77 Q A -0.9063
78 L A -0.3517
79 E A -1.7244
80 D A 0.0000
81 P A -0.0993
82 C A 0.0000
83 H A -0.2188
84 S A -0.2989
85 G A -0.3759
86 P A -0.1100
87 C A 0.0970
88 A A -0.0132
89 G A -0.8126
90 R A -2.0011
91 G A -0.5664
92 V A 0.6410
93 C A 0.2667
94 Q A -0.3504
95 S A 0.0000
96 S A -0.2443
97 V A 0.4807
98 V A 1.2633
99 A A 0.1566
100 G A -0.4705
101 T A -0.1216
102 A A -0.3474
103 R A -1.4786
104 F A 1.5756
105 S A 0.4002
106 C A 0.3749
107 R A -1.5620
108 C A 0.3286
109 P A -0.4510
110 R A -1.9769
111 G A -0.8069
112 F A 0.0000
113 R A -1.1507
114 G A -0.5205
115 P A -0.6440
116 D A -1.6993
117 C A 0.3711
118 S A 0.0172
119 L A 0.1784
120 P A -0.3182
121 D A -1.8065
122 P A -0.5484
123 C A 0.0000
124 L A 1.0837
125 S A -0.0051
126 S A 0.0031
127 P A -0.0845
128 C A 0.0847
129 A A 0.0417
130 H A -0.2823
131 G A -0.5002
132 A A -0.4318
133 R A -1.8382
134 C A 0.0000
135 S A -0.0436
136 V A 0.1737
137 G A -0.4706
138 P A -0.6794
139 D A -1.9028
140 G A -1.0511
141 R A -1.8531
142 F A 0.2639
143 L A 1.6174
144 C A 0.3598
145 S A -0.0847
146 C A 0.0000
147 P A -0.2121
148 P A -0.3761
149 G A -0.4015
150 Y A 0.1265
151 Q A -1.1157
152 G A -0.6838
153 R A -1.8781
154 S A -0.5015
155 C A 0.0000
156 R A -0.3223
157 S A -0.4510
158 D A -1.6139
159 V A 0.3093
160 D A -1.6720
161 E A -0.8654
162 C A -0.3101
163 R A -1.5939
164 V A 0.9710
165 G A -0.4357
166 E A -1.3781
167 P A -0.4998
168 C A 0.0000
169 R A -1.9055
170 H A -0.7612
171 G A -0.6168
172 G A -0.5564
173 T A -0.0470
174 C A 0.5467
175 L A 1.3411
176 N A -0.8914
177 T A -0.3354
178 P A -0.3544
179 G A -0.5547
180 S A -0.2397
181 F A -0.2436
182 R A -1.7348
183 C A -0.3291
184 Q A -0.5605
185 C A -0.0602
186 P A -0.1899
187 A A -0.0504
188 G A 0.0507
189 Y A 1.2462
190 T A 0.0000
191 G A -0.1537
192 P A -0.0254
193 L A 1.4548
194 C A 0.6510
195 E A -1.6853
196 N A 0.0000
197 P A -0.0417
198 A A 0.2128
199 V A 1.0782
200 P A 0.0799
201 C A 0.1303
202 A A 0.0398
203 P A -0.2842
204 S A -0.2796
205 P A -0.0166
206 C A 0.5022
207 R A -0.4867
208 N A -0.8354
209 G A -0.6521
210 G A -0.2634
211 T A -0.0305
212 C A -0.0627
213 R A -1.9375
214 Q A -0.9996
215 S A -0.3734
216 G A -0.8301
217 D A -1.5838
218 L A 1.1886
219 T A 0.4961
220 Y A 0.9098
221 D A -1.2122
222 C A 0.0000
223 A A 0.0231
224 C A 0.0000
225 L A 1.5121
226 P A 0.0792
227 G A 0.2549
228 F A 1.7090
229 E A -0.8410
230 G A -0.9100
231 Q A -1.5038
232 N A -1.4572
233 C A -0.2887
234 E A -0.6553
235 V A 0.4368
236 N A 0.0000
237 V A 0.5304
238 D A -0.7998
239 D A -1.8981
240 C A 0.0000
241 P A -0.3428
242 G A -0.5386
243 H A -0.5655
244 R A -1.8440
245 C A -0.0940
246 L A 0.4276
247 N A -1.2432
248 G A -0.7869
249 G A -0.4761
250 T A -0.0944
251 C A 0.0000
252 V A 0.5372
253 D A 0.0000
254 G A 0.1563
255 V A 1.5284
256 N A -0.9642
257 T A -0.2813
258 Y A -0.0390
259 N A -1.0683
260 C A -0.3370
261 Q A -1.1636
262 C A -0.1949
263 P A -0.2514
264 P A -0.4387
265 E A -1.8068
266 W A -0.2394
267 T A -0.1707
268 G A -0.7036
269 Q A -0.9133
270 F A 1.7101
271 C A 0.0000
272 T A -0.2636
273 E A -1.1180
274 D A -0.6664
275 V A 0.1797
276 D A -0.4086
277 E A -0.5035
278 C A 0.0000
279 Q A -1.0495
280 L A 0.4312
281 Q A -0.5882
282 P A -0.3864
283 N A 0.0000
284 A A 0.0372
285 C A 0.0000
286 H A -0.1372
287 N A -0.2820
288 G A 0.0000
289 G A 0.0000
290 T A 0.1771
291 C A 0.0000
292 F A 1.9037
293 N A 0.0902
294 T A 0.1668
295 L A 1.4558
296 G A -0.1892
297 G A -0.3426
298 H A -0.5918
299 S A -0.1971
300 C A 0.0000
301 V A 0.1867
302 C A 0.0000
303 V A 0.8390
304 N A -0.1094
305 G A -0.1302
306 W A 0.0000
307 T A -0.2596
308 G A -0.8062
309 E A -1.9465
310 S A -0.5376
311 C A 0.0375
312 S A -0.2572
313 Q A -1.0661
314 N A -0.2230
315 I A 0.6090
316 D A -0.4202
317 D A -1.5033
318 C A 0.4298
319 A A 0.1391
320 T A -0.0571
321 A A 0.2257
322 V A 1.0962
323 C A 0.9757
324 F A 0.2971
325 H A -1.0096
326 G A -0.6458
327 A A -0.0606
328 T A 0.0289
329 C A 0.4020
330 H A -0.3721
331 D A -1.1054
332 R A -0.7350
333 V A 0.3275
334 A A 0.0978
335 S A 0.0047
336 F A 0.1478
337 Y A 0.3696
338 C A 0.0000
339 A A 0.0293
340 C A 0.0905
341 P A 0.1298
342 M A 0.9307
343 G A -0.0713
344 K A -0.6502
345 T A 0.0000
346 G A 0.0000
347 L A 0.6046
348 L A 0.9227
349 C A 0.8060
350 H A 0.1135
351 L A 0.4904
352 D A -1.6674
353 D A -0.6494
354 A A -0.0081
355 C A 0.0000
356 V A 0.8014
357 S A -0.1141
358 N A -0.3789
359 P A -0.1843
360 C A 0.0000
361 H A -0.2875
362 E A -1.8418
363 D A 0.0000
364 A A 0.0000
365 I A 0.7373
366 C A 0.2216
367 D A 0.0000
368 T A -0.0080
369 N A 0.0000
370 P A -0.0566
371 V A 0.0000
372 N A -0.6134
373 G A -0.5632
374 R A 0.0000
375 A A 0.0145
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 -0.0452
382 G A 0.0000
383 F A 0.0000
384 T A 0.0000
385 G A -0.1136
386 G A 0.0000
387 A A 0.0794
388 C A -0.2175
389 D A -1.7685
390 Q A 0.0000
391 D A -1.2754
392 V A 0.0000
393 D A -1.2297
394 E A 0.0000
395 C A 0.1909
396 S A 0.0011
397 I A 0.9010
398 G A -0.2632
399 A A -0.2142
400 N A -1.0254
401 P A -0.4236
402 C A -0.1575
403 E A -1.2632
404 H A -0.5987
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 0.0000
411 T A 0.0000
412 Q A 0.0000
413 G A 0.0000
414 S A 0.0000
415 F A 0.0000
416 L A 0.0000
417 C A 0.0000
418 Q A 0.0000
419 C A 0.0657
420 G A -0.1385
421 R A 0.0000
422 G A -0.2106
423 Y A 0.0000
424 T A -0.0622
425 G A -0.1294
426 P A -0.3040
427 R A -0.2408
428 C A 0.0000
429 E A -0.4234
430 T A -0.1992
431 D A -0.1081
432 V A 0.6421
433 N A -0.6546
434 E A -1.2774
435 C A 0.5936
436 L A 0.6861
437 S A -0.0627
438 G A -0.5242
439 P A -0.2860
440 C A 0.0211
441 R A -0.7208
442 N A -1.5673
443 Q A -1.4773
444 A A -0.2297
445 T A 0.1396
446 C A 0.5483
447 L A 1.4417
448 D A -0.4521
449 R A -0.9595
450 I A 0.2522
451 G A -0.0493
452 Q A -0.5301
453 F A 0.0000
454 T A -0.0249
455 C A 0.0000
456 I A 1.2412
457 C A 0.6266
458 M A 0.7866
459 A A 0.0931
460 G A -0.0136
461 F A 1.9017
462 T A 0.2353
463 G A -0.4873
464 T A 0.0924
465 Y A 1.3018
466 C A 0.0000
467 E A -1.0762
468 V A 0.0310
469 D A -1.5946
470 I A 0.1304
471 D A -1.8662
472 E A -1.5557
473 C A 0.0000
474 Q A -1.2390
475 S A -0.4535
476 S A -0.1372
477 P A -0.2269
478 C A 0.2363
479 V A 0.1233
480 N A -1.3043
481 G A -0.7993
482 G A -0.5550
483 V A 0.0000
484 C A -0.2145
485 K A -1.7591
486 D A -1.1084
487 R A -1.6001
488 V A 1.3643
489 N A 0.0327
490 G A -0.3489
491 F A 0.2771
492 S A 0.0044
493 C A 0.0000
494 T A 0.0151
495 C A 0.1730
496 P A -0.2180
497 S A -0.2965
498 G A 0.0057
499 F A 1.8894
500 S A 0.2157
501 G A -0.4638
502 S A -0.2092
503 T A 0.0129
504 C A 0.2485
505 Q A -1.0381
506 L A -0.1137
507 D A -1.2375
508 V A 0.8649
509 D A -1.0666
510 E A -1.7472
511 Y A 0.9796
512 A A 0.2692
513 S A -0.2154
514 T A -0.2837
515 P A 0.0000
516 C A 0.2232
517 R A -1.4472
518 N A -0.9877
519 G A -0.5785
520 A A -0.4652
521 K A -1.5522
522 C A 0.5152
523 V A 0.3884
524 D A -1.6115
525 Q A -0.8301
526 P A -0.6751
527 D A -1.8467
528 G A -0.2198
529 Y A 0.8254
530 E A -0.4631
531 C A 0.0000
532 R A -1.5772
533 C A 0.0000
534 A A -0.3380
535 E A -1.8362
536 G A -0.4610
537 F A 0.0000
538 E A -1.8313
539 G A -0.4135
540 T A 0.1151
541 L A 1.5557
542 C A 0.0552
543 D A -1.8470
544 R A -0.9002
545 N A -0.9949
546 V A 0.0000
547 D A -1.9559
548 D A -1.1786
549 C A -0.0433
550 S A -0.1043
551 P A -0.3592
552 D A -0.7525
553 P A 0.0000
554 C A 0.0000
555 H A -0.1499
556 H A -0.3684
557 G A 0.0000
558 R A -1.8441
559 C A 0.0000
560 V A 0.0000
561 D A 0.0000
562 G A 0.0543
563 I A 0.6480
564 A A 0.1468
565 S A -0.1164
566 F A 0.1854
567 S A 0.0169
568 C A 0.0000
569 A A 0.0136
570 C A 0.0959
571 A A 0.0674
572 P A -0.0348
573 G A -0.2416
574 Y A 0.0000
575 T A 0.0000
576 G A 0.0000
577 T A -0.3653
578 R A -1.8485
579 C A 0.0000
580 E A 0.0000
581 S A 0.0000
582 Q A -0.1206
583 V A 0.3458
584 D A -0.2141
585 E A -0.3116
586 C A -0.3202
587 R A -1.8562
588 S A -0.7133
589 Q A -1.2743
590 P A -0.4258
591 C A -0.0471
592 R A -1.8142
593 H A -0.8604
594 G A -0.4891
595 G A -0.6324
596 K A -1.1212
597 C A 0.0716
598 L A 0.0000
599 D A -0.2309
600 L A 0.0000
601 V A -0.0466
602 D A -1.9080
603 K A -1.0000
604 Y A 0.8612
605 L A 0.0000
606 C A 0.0170
607 R A -0.5624
608 C A 0.0000
609 P A -0.2940
610 S A -0.2975
611 G A -0.2407
612 T A -0.0878
613 T A -0.1375
614 G A -0.2940
615 V A 0.7013
616 N A -0.8397
617 C A 0.0000
618 E A 0.0000
619 V A 0.2082
620 N A 0.2796
621 I A 1.7035
622 D A -1.3401
623 D A -2.0443
624 C A 0.0000
625 A A -0.1915
626 S A -0.3707
627 N A -0.9796
628 P A -0.4426
629 C A 0.1388
630 T A 0.3799
631 F A 1.9149
632 G A 0.6956
633 V A 1.8017
634 C A 0.1431
635 R A -2.1127
636 D A -1.9154
637 G A -0.1960
638 I A 1.7191
639 N A -1.2538
640 R A -2.0911
641 Y A 0.0000
642 D A -1.7176
643 C A 0.1209
644 V A 0.6887
645 C A 0.5699
646 Q A 0.0000
647 P A -0.2121
648 G A 0.0106
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1950 N A -0.2822
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1952 V A 0.0385
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1954 A A 0.0000
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1968 Q 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
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1980 A A 0.0000
1981 R A -1.7039
1982 E A -0.8307
1983 G A -0.2613
1984 S A 0.0361
1985 Y A 0.2421
1986 E A -1.2876
1987 A A 0.0000
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1989 K A -0.7712
1990 L A -0.1267
1991 L A 0.0000
1992 L A -0.1504
1993 D A -1.9225
1994 H A -1.2247
1995 F A 0.3370
1996 A A 0.1390
1997 N A -0.1431
1998 R A 0.0000
1999 E A -0.2373
2000 I A 0.0000
2001 T A 0.0000
2002 D A -0.3403
2003 H A -0.1209
2004 L A 1.1421
2005 D A -1.7919
2006 R A -1.8277
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2008 P A 0.0000
2009 R A -1.9642
2010 D A -1.2100
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.3147
2014 E A -1.9627
2015 R A -1.6040
2016 L A 0.7354
2017 H A -0.6550
2018 Q A -1.6397
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2273 P A -0.2427
2274 A A 0.0048
2275 T A -0.0488
2276 A A 0.0318
2277 T A -0.1477
2278 G A -0.4688
2279 A A 0.1693
2280 M A 1.0707
2281 A A 0.2248
2282 T A -0.0274
2283 T A -0.0277
2284 T A -0.0432
2285 G A 0.0000
2286 A A 0.0905
2287 L A 0.2255
2288 P A 0.0263
2289 A A 0.0264
2290 Q A -0.1711
2291 P A 0.0699
2292 L A 0.8344
2293 P A 0.2511
2294 L A 0.7276
2295 S A 0.2714
2296 V A 1.6618
2297 P A 0.1905
2298 S A -0.2735
2299 S A 0.1889
2300 L A 1.5444
2301 A A 0.2573
2302 Q A -0.4205
2303 A A -0.2819
2304 Q A -1.1991
2305 T A -0.5007
2306 Q A -1.1291
2307 L A 0.1061
2308 G A -0.3360
2309 P A -0.5438
2310 Q A -1.2589
2311 P A -0.6244
2312 E A -1.2466
2313 V A 0.0000
2314 T A -0.0380
2315 P A -0.2934
2316 K A -1.6103
2317 R A -2.3011
2318 Q A -1.2922
2319 V A 1.3200
2320 L A 1.5655
2321 A A 0.3052
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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, -0.2228 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_8 -0.2228 View CSV PDB
model_1 -0.2243 View CSV PDB
model_0 -0.2285 View CSV PDB
model_6 -0.2329 View CSV PDB
model_5 -0.2341 View CSV PDB
CABS_average -0.2352 View CSV PDB
model_7 -0.236 View CSV PDB
model_4 -0.2377 View CSV PDB
model_3 -0.2385 View CSV PDB
model_2 -0.2397 View CSV PDB
model_10 -0.2398 View CSV PDB
model_9 -0.2439 View CSV PDB
model_11 -0.2442 View CSV PDB
input -0.2762 View CSV PDB