Project name: R640C_5_4D

Status: done

Started: 2026-05-22 01:15:42
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINCYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:02)
[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]       FoldX:    Starting FoldX energy minimization                                          (00:00:04)
[INFO]       CABS:     Running CABS flex simulation                                                (00:31:21)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (20:24:32)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (20:25:53)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (20:27:11)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (20:28:28)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (20:29:47)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (20:31:06)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (20:32:25)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (20:33:44)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (20:35:02)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (20:36:23)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (20:37:40)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (20:38:50)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (20:40:05)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (20:42:33)
[INFO]       Main:     Simulation completed successfully.                                          (20:43:39)
Show buried residues

Minimal score value
-2.2996
Maximal score value
2.0763
Average score
-0.2236
Total score value
-518.9344

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 0.9645
2 G A -0.2731
3 P A -0.2176
4 G A -0.4628
5 A A -0.3245
6 R A -1.6657
7 G A -0.5739
8 R A 0.0000
9 R A -0.8533
10 R A -0.5502
11 R A -0.9535
12 R A -1.2308
13 R A -0.7676
14 P A -0.0330
15 M A 1.0014
16 S A 0.0830
17 P A -0.1310
18 P A -0.2077
19 P A -0.3238
20 P A -0.3377
21 P A -0.2042
22 P A -0.2004
23 P A -0.0605
24 V A 0.8491
25 R A -1.6355
26 A A -0.3225
27 L A 0.0000
28 P A -0.1224
29 L A 0.9450
30 L A 1.6789
31 L A 0.0000
32 L A 0.7620
33 L A 0.0000
34 A A -0.0694
35 G A -0.4681
36 P A -0.2079
37 G A -0.4695
38 A A -0.0702
39 A A 0.1278
40 A A 0.0000
41 P A -0.1503
42 P A -0.0714
43 C A 0.4350
44 L A 1.2340
45 D A -1.5831
46 G A -0.8543
47 S A -0.3579
48 P A -0.2915
49 C A 0.0377
50 A A -0.0191
51 N A -0.5481
52 G A -0.4123
53 G A -0.5482
54 R A -0.2845
55 C A 0.0000
56 T A 0.0000
57 Q A 0.0000
58 L A -0.0410
59 P A 0.0000
60 S A -0.5027
61 R A -1.8710
62 E A -1.8049
63 A A -0.2485
64 A A 0.0169
65 C A 0.0000
66 L A 0.0000
67 C A 0.0000
68 P A -0.2397
69 P A -0.3511
70 G A -0.4718
71 W A 0.0000
72 V A 0.0000
73 G A 0.0000
74 E A -1.1664
75 R A -1.9746
76 C A -0.4199
77 Q A -0.9781
78 L A -0.3805
79 E A -2.0099
80 D A -1.5719
81 P A -0.2379
82 C A 0.2235
83 H A -0.1499
84 S A -0.2523
85 G A -0.4188
86 P A -0.2394
87 C A 0.0842
88 A A -0.0714
89 G A -0.4988
90 R A -0.3663
91 G A -0.3185
92 V A 0.0000
93 C A 0.0000
94 Q A -0.4499
95 S A 0.0881
96 S A -0.1946
97 V A 0.6007
98 V A 0.6648
99 A A 0.0781
100 G A -0.4688
101 T A -0.1582
102 A A -0.2881
103 R A -1.4821
104 F A 1.5711
105 S A 0.2926
106 C A -0.0842
107 R A -1.7897
108 C A 0.0000
109 P A -0.2941
110 R A -0.1833
111 G A -0.0289
112 F A 0.7669
113 R A -0.1437
114 G A -0.5143
115 P A -0.4623
116 D A -1.7854
117 C A -0.2357
118 S A 0.1601
119 L A 1.1196
120 P A 0.0000
121 D A -0.7229
122 P A -0.1722
123 C A 0.0000
124 L A 1.5076
125 S A 0.0387
126 S A -0.2594
127 P A 0.0085
128 C A 0.4408
129 A A -0.1086
130 H A -1.0031
131 G A -0.2810
132 A A -0.3215
133 R A -1.7326
134 C A 0.1890
135 S A 0.2797
136 V A 1.6622
137 G A 0.0000
138 P A -0.5136
139 D A -1.8788
140 G A -0.9759
141 R A -1.8553
142 F A 0.4012
143 L A 1.6357
144 C A 0.5678
145 S A -0.2392
146 C A 0.0000
147 P A -0.2595
148 P A -0.1451
149 G A -0.1602
150 Y A 1.0990
151 Q A -0.6014
152 G A -0.9585
153 R A -2.1216
154 S A -0.5335
155 C A -0.1516
156 R A -1.6098
157 S A 0.0000
158 D A -0.1960
159 V A 0.3084
160 D A -0.3751
161 E A -1.0597
162 C A 0.0000
163 R A -1.5011
164 V A 1.3270
165 G A -0.4736
166 E A -1.9370
167 P A -0.4630
168 C A -0.2044
169 R A -2.0024
170 H A -1.4321
171 G A -0.7427
172 G A -0.5589
173 T A -0.0602
174 C A 0.5007
175 L A 1.4177
176 N A -0.3051
177 T A -0.1600
178 P A -0.1602
179 G A -0.5057
180 S A -0.1625
181 F A -0.0370
182 R A -1.7792
183 C A 0.0000
184 Q A -1.0533
185 C A 0.0000
186 P A -0.2438
187 A A -0.0761
188 G A -0.4556
189 Y A 0.0000
190 T A -0.0506
191 G A -0.2255
192 P A -0.3006
193 L A 0.6218
194 C A 0.4960
195 E A -1.9200
196 N A -1.6293
197 P A -0.3351
198 A A 0.1162
199 V A 0.4330
200 P A -0.0590
201 C A 0.0567
202 A A 0.0319
203 P A -0.1822
204 S A -0.2114
205 P A -0.2591
206 C A -0.2961
207 R A -1.8669
208 N A -0.6806
209 G A -0.5825
210 G A -0.4785
211 T A -0.0693
212 C A -0.1369
213 R A -2.0579
214 Q A -0.6971
215 S A -0.3625
216 G A -0.8424
217 D A -1.5835
218 L A 1.1955
219 T A 0.2528
220 Y A -0.2561
221 D A -1.8814
222 C A -0.1709
223 A A 0.1402
224 C A 0.4973
225 L A 0.0000
226 P A -0.1442
227 G A 0.1901
228 F A 1.5643
229 E A -1.6093
230 G A -0.9775
231 Q A -1.2008
232 N A -1.4411
233 C A 0.0000
234 E A -0.8289
235 V A 0.1140
236 N A 0.0218
237 V A 1.7202
238 D A -0.2035
239 D A -1.8899
240 C A 0.0000
241 P A -0.3417
242 G A -0.6109
243 H A -0.9206
244 R A -1.7374
245 C A -0.0930
246 L A 0.1507
247 N A -1.2919
248 G A -0.7304
249 G A -0.2068
250 T A -0.0574
251 C A 0.4494
252 V A 1.6734
253 D A -0.4808
254 G A -0.1213
255 V A 0.3972
256 N A -1.1950
257 T A -0.2039
258 Y A 0.2870
259 N A -0.3289
260 C A 0.0000
261 Q A -0.8141
262 C A -0.1004
263 P A -0.0920
264 P A -0.4179
265 E A -0.6025
266 W A 0.8908
267 T A 0.2183
268 G A -0.3822
269 Q A -0.9679
270 F A 1.2056
271 C A 0.3372
272 T A -0.1300
273 E A -0.6267
274 D A -1.1624
275 V A 0.0000
276 D A -0.3768
277 E A 0.0000
278 C A -0.0197
279 Q A -1.1241
280 L A 0.0059
281 Q A 0.0000
282 P A -0.3085
283 N A -0.3085
284 A A 0.0509
285 C A 0.2476
286 H A 0.0000
287 N A -0.9438
288 G A -0.5239
289 G A -0.2827
290 T A -0.0563
291 C A 0.4649
292 F A 1.6344
293 N A -0.1057
294 T A 0.1160
295 L A 1.3586
296 G A -0.1845
297 G A -0.2029
298 H A 0.0000
299 S A 0.0709
300 C A 0.3301
301 V A 0.9378
302 C A 0.2725
303 V A 0.2320
304 N A -0.2046
305 G A -0.0940
306 W A 0.0000
307 T A -0.1000
308 G A -0.2680
309 E A -0.3047
310 S A 0.0000
311 C A 0.0000
312 S A 0.0000
313 Q A -0.7210
314 N A 0.0000
315 I A 0.3580
316 D A -1.6923
317 D A -0.4404
318 C A 0.3797
319 A A 0.0723
320 T A -0.0663
321 A A 0.1139
322 V A 0.5845
323 C A 0.0000
324 F A 1.7546
325 H A -0.7136
326 G A -0.6522
327 A A -0.0868
328 T A -0.0394
329 C A -0.0251
330 H A -1.0559
331 D A -2.2996
332 R A -2.1562
333 V A 0.0000
334 A A 0.0000
335 S A -0.0364
336 F A 0.0000
337 Y A 0.9988
338 C A 0.0000
339 A A 0.0262
340 C A 0.0000
341 P A -0.1195
342 M A 0.6000
343 G A 0.0080
344 K A -0.5054
345 T A -0.0386
346 G A 0.0000
347 L A 0.5660
348 L A 1.1683
349 C A 0.0000
350 H A -0.8600
351 L A 0.1810
352 D A -0.9140
353 D A -1.6907
354 A A -0.2838
355 C A 0.0000
356 V A 1.7322
357 S A -0.1169
358 N A -1.3623
359 P A -0.4990
360 C A 0.0000
361 H A -1.1199
362 E A -1.4237
363 D A -1.9531
364 A A 0.0847
365 I A 2.0408
366 C A 0.2278
367 D A -1.4393
368 T A 0.0000
369 N A -0.2827
370 P A -0.0339
371 V A 0.2413
372 N A -0.1795
373 G A -0.7323
374 R A -1.3260
375 A A 0.0041
376 I A 1.0007
377 C A 0.3204
378 T A 0.0477
379 C A 0.1705
380 P A -0.1254
381 P A 0.0000
382 G A 0.1570
383 F A 1.8960
384 T A 0.2907
385 G A -0.2367
386 G A -0.4860
387 A A -0.0316
388 C A -0.2073
389 D A -1.8859
390 Q A -1.0238
391 D A -0.5159
392 V A 0.1203
393 D A -0.1470
394 E A 0.0000
395 C A 0.1400
396 S A 0.1782
397 I A 1.1402
398 G A -0.2207
399 A A -0.0554
400 N A -0.1183
401 P A 0.0000
402 C A 0.0000
403 E A -1.3455
404 H A -0.7857
405 L A 1.3835
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 -0.2626
412 Q A -1.2889
413 G A -0.7115
414 S A 0.0732
415 F A 1.4969
416 L A 0.7873
417 C A 0.0000
418 Q A 0.0000
419 C A 0.0000
420 G A -0.4286
421 R A -1.8428
422 G A -0.3640
423 Y A -0.1304
424 T A 0.0000
425 G A 0.0000
426 P A -0.5328
427 R A -1.5220
428 C A 0.0000
429 E A -0.2439
430 T A -0.2856
431 D A -1.0786
432 V A 0.1324
433 N A -0.0590
434 E A -0.2285
435 C A 0.4842
436 L A 0.7411
437 S A -0.1083
438 G A -0.2354
439 P A -0.2833
440 C A 0.0000
441 R A -1.9329
442 N A -1.0054
443 Q A -1.0630
444 A A -0.1666
445 T A 0.0489
446 C A 0.6896
447 L A 1.3323
448 D A -0.7291
449 R A -1.8304
450 I A 0.9780
451 G A -0.3277
452 Q A -1.4206
453 F A -0.0233
454 T A -0.0111
455 C A 0.0000
456 I A 1.3128
457 C A 0.0000
458 M A 0.3448
459 A A 0.0557
460 G A -0.0148
461 F A 1.9291
462 T A 0.2545
463 G A -0.4852
464 T A 0.0996
465 Y A 1.3013
466 C A 0.0000
467 E A -0.5016
468 V A 0.1238
469 D A -1.4977
470 I A -0.3232
471 D A -1.2406
472 E A -0.9992
473 C A 0.0000
474 Q A -1.2384
475 S A -0.5245
476 S A -0.1040
477 P A -0.1183
478 C A 0.0000
479 V A 1.6495
480 N A -0.4075
481 G A -0.6786
482 G A -0.5107
483 V A 0.2329
484 C A 0.2148
485 K A -1.6708
486 D A -0.8498
487 R A -1.6596
488 V A 0.8826
489 N A -0.4865
490 G A 0.0216
491 F A 1.6428
492 S A 0.2638
493 C A 0.0000
494 T A -0.0709
495 C A 0.0000
496 P A -0.2658
497 S A -0.1835
498 G A -0.0456
499 F A 1.8511
500 S A 0.0939
501 G A -0.5085
502 S A -0.2478
503 T A -0.0801
504 C A 0.0000
505 Q A -0.8869
506 L A -0.0863
507 D A -0.9641
508 V A 0.7541
509 D A -1.5411
510 E A -1.6708
511 C A 0.0000
512 A A 0.0187
513 S A -0.3694
514 T A -0.1471
515 P A -0.2468
516 C A -0.1492
517 R A -1.3243
518 N A -1.5764
519 G A -0.7043
520 A A -0.3757
521 K A -1.6578
522 C A 0.1591
523 V A 1.2948
524 D A -0.2521
525 Q A -1.3019
526 P A -0.8277
527 D A -1.8515
528 G A -0.3386
529 Y A 0.1202
530 E A -1.4021
531 C A -0.5191
532 R A -1.8098
533 C A -0.2705
534 A A -0.1641
535 E A -1.2868
536 G A -0.1705
537 F A 1.5043
538 E A -0.7815
539 G A -0.6699
540 T A 0.1630
541 L A 1.4570
542 C A 0.0000
543 D A -0.8237
544 R A -1.6720
545 N A -0.4648
546 V A 1.3488
547 D A -1.6942
548 D A -1.4791
549 C A 0.4656
550 S A -0.0758
551 P A -0.5296
552 D A -1.3675
553 P A -0.4166
554 C A 0.2635
555 H A -0.8306
556 H A -1.1399
557 G A -0.6664
558 R A -1.7169
559 C A 0.5234
560 V A 0.5436
561 D A -1.6909
562 G A -0.4243
563 I A 1.9353
564 A A 0.4035
565 S A -0.1273
566 F A 0.1099
567 S A 0.1043
568 C A 0.0000
569 A A -0.1807
570 C A 0.0000
571 A A 0.0000
572 P A -0.2318
573 G A -0.2177
574 Y A 0.0573
575 T A -0.0427
576 G A -0.3768
577 T A -0.3382
578 R A -1.7079
579 C A 0.0272
580 E A -1.7105
581 S A -0.6849
582 Q A -0.6664
583 V A 0.7125
584 D A 0.0000
585 E A -0.4389
586 C A 0.0000
587 R A -1.9387
588 S A -0.6405
589 Q A -0.7563
590 P A -0.3209
591 C A -0.2904
592 R A -1.9448
593 H A -1.0683
594 G A -0.6017
595 G A -0.4993
596 K A -1.6806
597 C A 0.0637
598 L A 0.9933
599 D A 0.1139
600 L A 0.8878
601 V A 0.1582
602 D A -1.8640
603 K A -1.9347
604 Y A 0.0472
605 L A 1.3507
606 C A 0.0416
607 R A -1.8044
608 C A -0.3323
609 P A -0.2576
610 S A -0.2166
611 G A -0.4506
612 T A -0.1233
613 T A -0.0749
614 G A 0.1252
615 V A 1.5407
616 N A -0.6467
617 C A 0.0000
618 E A -0.8730
619 V A 0.0000
620 N A -0.0798
621 I A -0.1248
622 D A -1.7795
623 D A -0.5313
624 C A 0.0245
625 A A 0.0159
626 S A -0.4383
627 N A -1.3623
628 P A -0.4312
629 C A 0.3023
630 T A 0.3694
631 F A 1.9115
632 G A 0.3698
633 V A 0.3806
634 C A -0.0757
635 R A -1.9565
636 D A -0.9274
637 G A -0.1933
638 I A 1.0460
639 N A -0.8478
640 C A 0.7511
641 Y A 1.0267
642 D A -1.4194
643 C A 0.4358
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1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.2281
1978 L A 0.0000
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1980 A A 0.0000
1981 R A -0.2271
1982 E A 0.0000
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1991 L A 0.0000
1992 L A 0.0000
1993 D A -0.5802
1994 H A -0.2569
1995 F A 0.0000
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1998 R A -0.3778
1999 E A -0.2195
2000 I A 0.0802
2001 T A 0.0000
2002 D A -1.9425
2003 H A -1.0464
2004 L A 0.1195
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2006 R A -2.0638
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2016 L A 0.0000
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2273 P A -0.2638
2274 A A -0.0432
2275 T A -0.0610
2276 A A -0.0042
2277 T A -0.0138
2278 G A 0.0000
2279 A A 0.0000
2280 M A 0.1249
2281 A A 0.0793
2282 T A -0.0107
2283 T A -0.1479
2284 T A 0.0000
2285 G A -0.4663
2286 A A 0.0000
2287 L A 0.0000
2288 P A -0.1040
2289 A A -0.1115
2290 Q A -0.7323
2291 P A -0.4665
2292 L A 1.1851
2293 P A 0.2339
2294 L A 1.3136
2295 S A 0.1453
2296 V A 0.3794
2297 P A -0.1653
2298 S A -0.2723
2299 S A 0.3113
2300 L A 1.5457
2301 A A 0.0584
2302 Q A -1.1786
2303 A A -0.3901
2304 Q A -0.5254
2305 T A -0.3839
2306 Q A -0.2289
2307 L A 1.3122
2308 G A -0.2477
2309 P A -0.4216
2310 Q A -0.2446
2311 P A -0.4320
2312 E A -0.6879
2313 V A 0.6707
2314 T A 0.0651
2315 P A -0.4210
2316 K A -1.1636
2317 R A -1.8428
2318 Q A -1.3558
2319 V A 0.4111
2320 L A 0.5988
2321 A A 0.1702
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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, -0.2236 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_0 -0.2236 View CSV PDB
model_4 -0.2265 View CSV PDB
model_10 -0.227 View CSV PDB
model_2 -0.2282 View CSV PDB
model_8 -0.23 View CSV PDB
model_1 -0.2303 View CSV PDB
model_6 -0.2317 View CSV PDB
CABS_average -0.2318 View CSV PDB
model_9 -0.2329 View CSV PDB
model_7 -0.2335 View CSV PDB
model_3 -0.2364 View CSV PDB
model_5 -0.2406 View CSV PDB
model_11 -0.2415 View CSV PDB
input -0.281 View CSV PDB