Project name: C606R_5_4D

Status: done

Started: 2026-05-19 00:27:26
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLRRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:32:49)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (17:40:06)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (17:40:50)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (17:41:34)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (17:42:18)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (17:43:03)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (17:43:46)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (17:44:31)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (17:45:14)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (17:45:57)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (17:46:39)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (17:47:21)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (17:48:04)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (17:48:46)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (17:50:09)
[INFO]       Main:     Simulation completed successfully.                                          (17:50:53)
Show buried residues

Minimal score value
-2.7922
Maximal score value
2.1778
Average score
-0.2262
Total score value
-525.0785

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 1.0364
2 G A 0.1009
3 P A -0.1582
4 G A -0.4653
5 A A -0.1286
6 R A -0.6052
7 G A -0.9180
8 R A -1.9955
9 R A -1.0305
10 R A -2.2644
11 R A -2.5647
12 R A -2.5615
13 R A -2.2492
14 P A -0.4739
15 M A 0.6525
16 S A 0.0253
17 P A -0.2373
18 P A -0.2347
19 P A -0.1273
20 P A 0.0000
21 P A -0.0554
22 P A -0.0660
23 P A 0.0218
24 V A 1.4650
25 R A -0.7114
26 A A 0.1425
27 L A 1.4923
28 P A 0.4431
29 L A 1.7862
30 L A 2.0215
31 L A 1.3186
32 L A 0.5412
33 L A 0.4748
34 A A 0.0928
35 G A 0.0000
36 P A -0.1682
37 G A -0.4738
38 A A -0.0446
39 A A 0.0380
40 A A 0.0548
41 P A -0.0556
42 P A -0.2273
43 C A 0.4087
44 L A 1.5341
45 D A -0.0076
46 G A -0.3759
47 S A -0.4339
48 P A -0.0473
49 C A 0.3463
50 A A 0.0047
51 N A -0.7863
52 G A -0.5277
53 G A -0.3934
54 R A -1.3818
55 C A -0.1066
56 T A 0.0000
57 Q A -1.1142
58 L A 0.1481
59 P A -0.3200
60 S A -0.4593
61 R A -1.2980
62 E A -1.1438
63 A A -0.3241
64 A A 0.0000
65 C A 0.0000
66 L A 0.0000
67 C A 0.0482
68 P A -0.1657
69 P A -0.1939
70 G A -0.1611
71 W A 0.0000
72 V A 0.2194
73 G A 0.0000
74 E A 0.0000
75 R A -1.8441
76 C A 0.0000
77 Q A 0.0000
78 L A 0.0973
79 E A -1.2694
80 D A -0.7447
81 P A -0.1110
82 C A 0.0988
83 H A -0.5982
84 S A -0.4054
85 G A -0.5993
86 P A -0.2242
87 C A 0.0949
88 A A -0.0085
89 G A -0.8012
90 R A -1.9764
91 G A -0.5868
92 V A 0.0000
93 C A 0.0000
94 Q A -0.2590
95 S A 0.0000
96 S A 0.0000
97 V A 0.0000
98 V A 0.2141
99 A A 0.0118
100 G A -0.4638
101 T A -0.1003
102 A A -0.1357
103 R A -0.8812
104 F A 0.1904
105 S A 0.0483
106 C A 0.0000
107 R A 0.0000
108 C A 0.0000
109 P A -0.5901
110 R A -1.9405
111 G A -0.5699
112 F A 0.7946
113 R A -1.5772
114 G A 0.0000
115 P A -0.3999
116 D A -1.2730
117 C A 0.3686
118 S A 0.2402
119 L A 0.6936
120 P A -0.0246
121 D A -0.6420
122 P A -0.1079
123 C A 0.0000
124 L A 1.0910
125 S A 0.0645
126 S A -0.2719
127 P A -0.2244
128 C A 0.0708
129 A A 0.0363
130 H A -0.2974
131 G A -0.5056
132 A A -0.4304
133 R A -1.7657
134 C A 0.0106
135 S A 0.1639
136 V A 0.2931
137 G A -0.4435
138 P A -0.6786
139 D A -1.9211
140 G A -1.1385
141 R A -1.8953
142 F A 0.0568
143 L A 0.9678
144 C A 0.0000
145 S A 0.0668
146 C A 0.6560
147 P A 0.0486
148 P A -0.2721
149 G A -0.1498
150 Y A 0.0000
151 Q A -0.1611
152 G A -0.4031
153 R A -1.3700
154 S A -0.2676
155 C A -0.1775
156 R A -1.5007
157 S A -0.5545
158 D A -0.4512
159 V A 0.5800
160 D A -0.2552
161 E A -0.9245
162 C A -0.4056
163 R A -1.4833
164 V A 1.3328
165 G A -0.4702
166 E A -1.9090
167 P A 0.0000
168 C A -0.0270
169 R A -1.9683
170 H A -1.4189
171 G A -0.7406
172 G A -0.5558
173 T A -0.1994
174 C A 0.3849
175 L A 1.0484
176 N A -0.5141
177 T A -0.2222
178 P A -0.2240
179 G A -0.3631
180 S A -0.0241
181 F A 0.1180
182 R A -1.5741
183 C A -0.4047
184 Q A -1.1359
185 C A -0.1052
186 P A -0.2111
187 A A 0.1106
188 G A 0.3078
189 Y A 0.9533
190 T A 0.1491
191 G A -0.1047
192 P A -0.2102
193 L A 0.3742
194 C A -0.1027
195 E A -1.9757
196 N A -1.4037
197 P A -0.3307
198 A A 0.0358
199 V A 0.1370
200 P A -0.2008
201 C A 0.0784
202 A A 0.0009
203 P A -0.2450
204 S A -0.2993
205 P A -0.1760
206 C A -0.0293
207 R A -1.4232
208 N A -1.6528
209 G A -0.8009
210 G A -0.7058
211 T A -0.0475
212 C A -0.0635
213 R A -2.0192
214 Q A -1.6426
215 S A -0.7366
216 G A -0.9824
217 D A -1.7196
218 L A 0.6143
219 T A 0.1533
220 Y A -0.0421
221 D A -1.1881
222 C A 0.0000
223 A A 0.0598
224 C A 0.1749
225 L A 0.3066
226 P A -0.2451
227 G A -0.4649
228 F A -0.2054
229 E A -1.8447
230 G A -0.9664
231 Q A -1.5151
232 N A -1.4857
233 C A -0.2828
234 E A -0.5751
235 V A 0.0000
236 N A 0.0000
237 V A 0.3553
238 D A -1.9954
239 D A -2.0194
240 C A 0.2306
241 P A -0.0459
242 G A -0.6248
243 H A -1.2107
244 R A -1.9758
245 C A 0.0283
246 L A 1.4485
247 N A -0.3970
248 G A -0.6693
249 G A -0.5573
250 T A -0.0551
251 C A 0.4163
252 V A 0.6098
253 D A -1.7094
254 G A -0.5062
255 V A 1.6303
256 N A -0.0219
257 T A -0.1420
258 Y A -0.0990
259 N A -1.2415
260 C A 0.0000
261 Q A -0.9412
262 C A 0.2181
263 P A -0.0126
264 P A -0.3869
265 E A -0.6714
266 W A -0.0309
267 T A -0.0904
268 G A -0.5279
269 Q A -1.0844
270 F A 0.6730
271 C A 0.0000
272 T A -0.3539
273 E A -1.9256
274 D A -0.7770
275 V A 0.3331
276 D A 0.0000
277 E A -0.1382
278 C A 0.0000
279 Q A -0.9440
280 L A 1.0654
281 Q A -0.0480
282 P A -0.3936
283 N A -0.5315
284 A A 0.0702
285 C A 0.5379
286 H A -0.3174
287 N A -1.3396
288 G A -0.4958
289 G A -0.5068
290 T A -0.0082
291 C A 1.0287
292 F A 1.9085
293 N A -0.4990
294 T A 0.0533
295 L A 1.4472
296 G A -0.2199
297 G A -0.4737
298 H A -0.9656
299 S A -0.0290
300 C A 0.1942
301 V A 0.5557
302 C A 0.0000
303 V A 1.6564
304 N A 0.0548
305 G A 0.0484
306 W A 1.1207
307 T A 0.1391
308 G A -0.5338
309 E A -1.8947
310 S A -0.5020
311 C A 0.2242
312 S A -0.2566
313 Q A -1.2562
314 N A 0.1038
315 I A 1.7638
316 D A -0.6807
317 D A 0.0000
318 C A 0.0000
319 A A 0.0450
320 T A -0.0546
321 A A 0.3530
322 V A 1.7923
323 C A 0.5136
324 F A 0.3153
325 H A -0.9855
326 G A -0.6499
327 A A -0.0844
328 T A -0.0213
329 C A 0.0549
330 H A -0.5883
331 D A -0.7326
332 R A -1.6830
333 V A 0.7916
334 A A 0.2455
335 S A 0.3508
336 F A 2.1778
337 Y A 1.6482
338 C A 0.5741
339 A A 0.0667
340 C A 0.0000
341 P A -0.0623
342 M A 0.9459
343 G A 0.0311
344 K A -0.4439
345 T A -0.1904
346 G A -0.1895
347 L A 1.6292
348 L A 1.5551
349 C A 0.0000
350 H A -0.1850
351 L A 0.0000
352 D A -1.0305
353 D A -0.9500
354 A A -0.1416
355 C A 0.0000
356 V A 1.0285
357 S A -0.2029
358 N A -1.1058
359 P A -0.4264
360 C A 0.0852
361 H A -0.5230
362 E A -2.0191
363 D A -2.0939
364 A A 0.0678
365 I A 2.0768
366 C A 0.5728
367 D A -0.6252
368 T A 0.0000
369 N A 0.0000
370 P A 0.0404
371 V A 1.5719
372 N A -0.6765
373 G A -1.0039
374 R A -1.9204
375 A A -0.2211
376 I A 0.3794
377 C A 0.1644
378 T A -0.0559
379 C A 0.0000
380 P A -0.1984
381 P A -0.2949
382 G A -0.4972
383 F A 0.0000
384 T A -0.1536
385 G A -0.5393
386 G A -0.5496
387 A A -0.0306
388 C A 0.1760
389 D A -1.7435
390 Q A -0.7192
391 D A -0.2558
392 V A 1.5871
393 D A -0.4607
394 E A -1.9067
395 C A 0.0000
396 S A -0.0231
397 I A 0.4004
398 G A -0.2592
399 A A -0.2948
400 N A -1.3121
401 P A -0.5097
402 C A 0.0000
403 E A -0.5246
404 H A -0.6642
405 L A 0.0000
406 G A -0.5241
407 R A -1.8772
408 C A 0.0000
409 V A 0.4342
410 N A -0.5439
411 T A -0.4234
412 Q A -1.2524
413 G A -0.3996
414 S A -0.2133
415 F A 0.2888
416 L A 0.6448
417 C A 0.0000
418 Q A -1.1716
419 C A -0.1776
420 G A -0.6900
421 R A -1.4008
422 G A -0.5816
423 Y A 0.3877
424 T A 0.1222
425 G A 0.0000
426 P A -0.4384
427 R A -1.8455
428 C A -0.2561
429 E A 0.0000
430 T A -0.0044
431 D A 0.0939
432 V A 1.6528
433 N A -0.1907
434 E A -1.7425
435 C A 0.4360
436 L A 0.3522
437 S A -0.1838
438 G A -0.1930
439 P A -0.2752
440 C A 0.0000
441 R A -1.2013
442 N A -1.6698
443 Q A -1.4307
444 A A -0.2194
445 T A 0.0251
446 C A 0.5948
447 L A 1.3122
448 D A -1.5891
449 R A -1.8608
450 I A 1.5443
451 G A -0.3131
452 Q A -1.2056
453 F A -0.0926
454 T A 0.0205
455 C A 0.0000
456 I A 0.8003
457 C A 0.0000
458 M A 1.0581
459 A A 0.1822
460 G A 0.1638
461 F A 1.8965
462 T A 0.2553
463 G A -0.4842
464 T A 0.0116
465 Y A 0.8716
466 C A 0.0000
467 E A -1.4307
468 V A -0.1842
469 D A -1.6050
470 I A -0.1492
471 D A -1.9090
472 E A -1.4749
473 C A 0.0000
474 Q A -1.2390
475 S A -0.4592
476 S A -0.1814
477 P A -0.2401
478 C A 0.2156
479 V A 0.2733
480 N A -1.2685
481 G A -0.7969
482 G A -0.5045
483 V A 0.2264
484 C A -0.0021
485 K A -1.9958
486 D A -2.4630
487 R A -1.8544
488 V A 1.1815
489 N A -0.9572
490 G A -0.1639
491 F A 1.9132
492 S A 0.3532
493 C A 0.2127
494 T A 0.0158
495 C A 0.0337
496 P A -0.2494
497 S A -0.0540
498 G A -0.2087
499 F A 1.2964
500 S A 0.0827
501 G A -0.4966
502 S A -0.1954
503 T A -0.0730
504 C A 0.0210
505 Q A 0.0684
506 L A 1.3858
507 D A 0.0354
508 V A 1.5256
509 D A -0.5666
510 E A -1.2475
511 C A 0.0000
512 A A 0.0182
513 S A -0.2062
514 T A -0.1116
515 P A -0.2297
516 C A -0.2621
517 R A -1.9302
518 N A -1.0522
519 G A -0.5748
520 A A -0.3755
521 K A -1.6094
522 C A 0.2222
523 V A 0.5160
524 D A -1.1233
525 Q A -1.4250
526 P A -0.8120
527 D A -1.8520
528 G A -0.4366
529 Y A 0.3062
530 E A -0.4708
531 C A 0.0000
532 R A -1.0926
533 C A 0.0000
534 A A -0.2826
535 E A -1.8759
536 G A -0.7664
537 F A -0.6183
538 E A -1.8124
539 G A -0.5187
540 T A -0.1156
541 L A 0.6960
542 C A 0.1435
543 D A -2.0166
544 R A -2.0690
545 N A -1.2297
546 V A 1.1903
547 D A -1.5883
548 D A -1.0381
549 C A -0.3640
550 S A -0.2443
551 P A -0.6399
552 D A -1.8484
553 P A -0.2533
554 C A 0.5395
555 H A -1.0268
556 H A -1.1608
557 G A -0.8689
558 R A -1.7746
559 C A 0.7260
560 V A 1.5683
561 D A -1.3456
562 G A -0.1365
563 I A 1.9894
564 A A 0.4020
565 S A 0.0543
566 F A 1.1325
567 S A 0.2244
568 C A 0.0000
569 A A -0.0170
570 C A 0.0000
571 A A 0.1908
572 P A 0.0273
573 G A 0.0000
574 Y A 1.3034
575 T A 0.1912
576 G A -0.2858
577 T A -0.4297
578 R A -1.8329
579 C A 0.0000
580 E A -1.8505
581 S A -0.5466
582 Q A -0.1448
583 V A 0.1796
584 D A -1.9350
585 E A -1.5891
586 C A 0.0658
587 R A -0.3511
588 S A -0.3633
589 Q A -0.8765
590 P A -0.3119
591 C A 0.4652
592 R A 0.0000
593 H A -1.0783
594 G A -0.7011
595 G A -0.5297
596 K A -0.9842
597 C A 0.4819
598 L A 1.3587
599 D A -0.5129
600 L A 1.4855
601 V A 1.0023
602 D A -0.5002
603 K A -1.7361
604 Y A 0.0050
605 L A 1.0722
606 R A 0.0000
607 R A -1.2673
608 C A 0.0000
609 P A -0.1822
610 S A -0.1420
611 G A -0.2283
612 T A -0.1118
613 T A -0.0528
614 G A -0.0856
615 V A 0.0000
616 N A -1.1369
617 C A 0.1554
618 E A -1.4786
619 V A 0.7013
620 N A 0.3001
621 I A 0.8109
622 D A -1.5663
623 D A 0.0000
624 C A 0.7351
625 A A 0.1882
626 S A -0.2598
627 N A -1.3259
628 P A -0.4269
629 C A 0.3140
630 T A 0.3467
631 F A 1.9311
632 G A 0.0000
633 V A 1.5906
634 C A 0.3277
635 R A -1.8759
636 D A -1.1774
637 G A -0.2643
638 I A 0.8097
639 N A -1.4224
640 R A -1.8506
641 Y A 0.7666
642 D A -0.8519
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1914 A A 0.0000
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1935 V A 0.0000
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1942 A A 0.0000
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1944 H A -0.0427
1945 W A 0.2875
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1949 V A 0.6857
1950 N A -1.1382
1951 N A -0.4102
1952 V A -0.1789
1953 E A -1.6689
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.8845
1957 A A 0.2117
1958 L A 0.0000
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1960 K A -0.3979
1961 N A -0.4956
1962 G A 0.0000
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1964 N A 0.0000
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1966 D A -0.7889
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1968 Q A -0.4041
1969 D A -1.8804
1970 S A -0.6906
1971 K A 0.0000
1972 E A -0.9254
1973 E A -0.6794
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 -2.1245
1982 E A -1.8661
1983 G A -0.3661
1984 S A 0.0840
1985 Y A 0.3307
1986 E A -1.6842
1987 A A 0.0000
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1989 K A -0.8821
1990 L A 0.0590
1991 L A 0.0000
1992 L A -0.1871
1993 D A -1.8529
1994 H A -0.7453
1995 F A 0.2478
1996 A A 0.0104
1997 N A -0.6195
1998 R A 0.0000
1999 E A -0.2324
2000 I A 0.0000
2001 T A 0.0000
2002 D A -0.6775
2003 H A -1.0442
2004 L A -0.2203
2005 D A -2.0903
2006 R A -2.1851
2007 L A 0.0000
2008 P A 0.0000
2009 R A -0.3884
2010 D A -0.5414
2011 V A -0.0706
2012 A A 0.0000
2013 Q A -0.9128
2014 E A -2.2836
2015 R A -1.8989
2016 L A 1.0319
2017 H A -0.2423
2018 Q A -1.3165
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2023 L A -0.0531
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2263 L A 0.1424
2264 S A -0.1709
2265 D A -0.2721
2266 W A 0.0000
2267 S A -0.1213
2268 E A 0.0000
2269 S A -0.1878
2270 T A -0.0596
2271 P A 0.0000
2272 S A 0.0000
2273 P A -0.0787
2274 A A 0.0071
2275 T A -0.0443
2276 A A -0.0099
2277 T A -0.1464
2278 G A -0.4672
2279 A A 0.0526
2280 M A 0.4581
2281 A A 0.1370
2282 T A -0.0131
2283 T A -0.0662
2284 T A -0.0908
2285 G A -0.3036
2286 A A 0.0000
2287 L A 1.0918
2288 P A 0.1936
2289 A A -0.0008
2290 Q A -0.1098
2291 P A -0.1429
2292 L A 0.6437
2293 P A 0.1797
2294 L A 1.4597
2295 S A 0.2419
2296 V A 0.7651
2297 P A -0.0940
2298 S A -0.0963
2299 S A 0.1612
2300 L A 1.5351
2301 A A 0.1324
2302 Q A -1.1945
2303 A A 0.0000
2304 Q A -1.1614
2305 T A -0.5446
2306 Q A -0.6020
2307 L A 0.0670
2308 G A -0.1293
2309 P A -0.1528
2310 Q A 0.0000
2311 P A -0.2549
2312 E A 0.0000
2313 V A 0.2987
2314 T A 0.0035
2315 P A -0.4520
2316 K A -1.2644
2317 R A -1.1328
2318 Q A -0.9999
2319 V A 1.5505
2320 L A 0.0000
2321 A A 0.3573
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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, -0.2262 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_1 -0.2262 View CSV PDB
model_4 -0.228 View CSV PDB
model_5 -0.2316 View CSV PDB
model_3 -0.2323 View CSV PDB
model_8 -0.2337 View CSV PDB
model_0 -0.236 View CSV PDB
model_2 -0.2363 View CSV PDB
CABS_average -0.2368 View CSV PDB
model_6 -0.238 View CSV PDB
model_9 -0.2389 View CSV PDB
model_10 -0.2415 View CSV PDB
model_7 -0.2467 View CSV PDB
model_11 -0.2522 View CSV PDB
input -0.2788 View CSV PDB