Project name: R985C_5_4D

Status: done

Started: 2026-05-22 01:16:20
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFCCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       CABS:     Running CABS flex simulation                                                (00:18:07)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (14:14:38)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (14:16:00)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (14:17:13)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (14:18:21)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (14:19:30)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (14:20:42)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (14:21:38)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (14:22:48)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (14:23:57)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (14:25:02)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (14:26:16)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (14:27:27)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (14:28:37)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (14:30:47)
[INFO]       Main:     Simulation completed successfully.                                          (14:31:49)
Show buried residues

Minimal score value
-2.3976
Maximal score value
2.1387
Average score
-0.2193
Total score value
-509.0312

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 0.0263
2 G A -0.4130
3 P A -0.2340
4 G A -0.4751
5 A A -0.4341
6 R A -1.9302
7 G A -0.9405
8 R A -1.0793
9 R A -2.1009
10 R A -1.4233
11 R A -2.1819
12 R A -1.7493
13 R A -2.0684
14 P A -0.5366
15 M A 0.2006
16 S A -0.1145
17 P A 0.0000
18 P A -0.3060
19 P A -0.3221
20 P A -0.1572
21 P A -0.1389
22 P A 0.0000
23 P A 0.0000
24 V A -0.0983
25 R A -1.7901
26 A A -0.1225
27 L A 0.8766
28 P A 0.2474
29 L A 1.3107
30 L A 2.0408
31 L A 2.0604
32 L A 1.7060
33 L A 1.7714
34 A A 0.3316
35 G A -0.0945
36 P A -0.1402
37 G A -0.3440
38 A A -0.0147
39 A A 0.0708
40 A A 0.0452
41 P A -0.0425
42 P A -0.1118
43 C A 0.0000
44 L A 1.2146
45 D A -1.5903
46 G A -0.8232
47 S A -0.2179
48 P A -0.2548
49 C A 0.0296
50 A A -0.2185
51 N A -1.3585
52 G A -0.7457
53 G A -0.4080
54 R A -0.5347
55 C A 0.1158
56 T A 0.0000
57 Q A -1.1967
58 L A 0.0000
59 P A -0.2949
60 S A -0.6150
61 R A -2.2274
62 E A -2.1639
63 A A -0.4498
64 A A 0.0000
65 C A 0.0000
66 L A 0.4670
67 C A 0.0000
68 P A -0.2977
69 P A -0.3676
70 G A -0.4172
71 W A 0.1685
72 V A 0.0000
73 G A -0.4091
74 E A -1.1076
75 R A -0.3702
76 C A -0.0257
77 Q A -0.1180
78 L A 0.7441
79 E A -1.6453
80 D A -0.9088
81 P A 0.0000
82 C A 0.0000
83 H A -1.0254
84 S A -0.4621
85 G A -0.5400
86 P A -0.2633
87 C A 0.1209
88 A A -0.0040
89 G A -0.8111
90 R A -2.0250
91 G A -0.4772
92 V A 1.5447
93 C A 0.4599
94 Q A -0.7521
95 S A 0.0000
96 S A 0.0000
97 V A 0.0000
98 V A 0.6666
99 A A 0.0971
100 G A -0.4586
101 T A -0.0977
102 A A -0.3129
103 R A -1.7423
104 F A 0.1135
105 S A -0.2504
106 C A 0.0000
107 R A -1.6643
108 C A 0.0000
109 P A -0.5895
110 R A -1.9680
111 G A -0.5691
112 F A 0.8016
113 R A -0.4097
114 G A -0.1486
115 P A -0.5995
116 D A -1.8134
117 C A -0.2281
118 S A -0.1019
119 L A 0.3115
120 P A -0.1879
121 D A -1.1076
122 P A -0.3005
123 C A 0.9842
124 L A 1.6495
125 S A 0.0458
126 S A -0.2732
127 P A -0.2555
128 C A 0.1349
129 A A -0.0136
130 H A -0.6318
131 G A -0.5659
132 A A -0.4729
133 R A -1.8376
134 C A 0.0000
135 S A 0.1012
136 V A 0.3264
137 G A -0.8315
138 P A -0.8501
139 D A -2.1695
140 G A -1.1637
141 R A -1.9203
142 F A 1.3704
143 L A 1.3500
144 C A 0.5377
145 S A -0.0060
146 C A 0.0000
147 P A -0.1517
148 P A -0.2925
149 G A -0.0335
150 Y A 0.6254
151 Q A -1.1135
152 G A -1.0413
153 R A -1.9452
154 S A -0.2235
155 C A -0.2423
156 R A -1.8548
157 S A -0.5505
158 D A 0.2258
159 V A 1.6527
160 D A -0.3811
161 E A -1.5981
162 C A -0.2517
163 R A -0.1681
164 V A 1.6225
165 G A -0.4758
166 E A -1.9849
167 P A -0.7873
168 C A -0.2987
169 R A -1.9173
170 H A -0.6895
171 G A -0.6039
172 G A -0.5581
173 T A -0.0570
174 C A 0.4996
175 L A 1.0329
176 N A -0.9207
177 T A -0.3574
178 P A -0.3158
179 G A -0.3266
180 S A -0.0559
181 F A 0.0833
182 R A -1.5542
183 C A -0.3774
184 Q A -0.6922
185 C A -0.0307
186 P A -0.1220
187 A A -0.0113
188 G A 0.0000
189 Y A 1.3153
190 T A 0.0000
191 G A -0.0930
192 P A 0.0301
193 L A 1.4827
194 C A 0.0000
195 E A -0.6529
196 N A -0.4734
197 P A -0.3153
198 A A 0.1906
199 V A 1.0461
200 P A -0.0364
201 C A 0.0598
202 A A 0.0165
203 P A -0.2676
204 S A -0.2087
205 P A -0.1638
206 C A 0.4735
207 R A -0.4664
208 N A -1.4055
209 G A -0.6644
210 G A -0.4115
211 T A -0.0041
212 C A 0.3434
213 R A -2.0412
214 Q A -1.4799
215 S A -0.5243
216 G A -0.8518
217 D A -1.5920
218 L A 1.2137
219 T A 0.4017
220 Y A 0.2378
221 D A -0.9250
222 C A 0.0715
223 A A 0.0351
224 C A 0.0000
225 L A 1.5138
226 P A 0.2100
227 G A 0.0132
228 F A 1.1498
229 E A -1.5201
230 G A 0.0000
231 Q A -1.4352
232 N A -1.4774
233 C A -0.4834
234 E A -1.6782
235 V A 0.3027
236 N A 0.0000
237 V A 1.5146
238 D A -1.0885
239 D A -2.0027
240 C A -0.2980
241 P A -0.5083
242 G A -0.5395
243 H A -0.5715
244 R A -1.8306
245 C A 0.0241
246 L A 0.6908
247 N A -1.2385
248 G A -0.7963
249 G A -0.6872
250 T A 0.0000
251 C A 0.6080
252 V A 1.3083
253 D A -0.4943
254 G A -0.2315
255 V A 1.6456
256 N A 0.0104
257 T A -0.1241
258 Y A 0.0724
259 N A -0.4419
260 C A 0.0000
261 Q A -0.3692
262 C A 0.0000
263 P A -0.1880
264 P A -0.4320
265 E A -1.6089
266 W A 0.8393
267 T A 0.1191
268 G A -0.5697
269 Q A -0.2095
270 F A 1.8568
271 C A 0.3665
272 T A -0.1610
273 E A -0.7346
274 D A -0.7643
275 V A 0.2466
276 D A -0.7500
277 E A -0.9546
278 C A 0.0000
279 Q A -0.7957
280 L A 0.9433
281 Q A 0.0000
282 P A -0.1556
283 N A -0.5138
284 A A -0.0589
285 C A 0.0566
286 H A -0.2786
287 N A -0.2507
288 G A -0.4325
289 G A -0.4384
290 T A -0.0998
291 C A 0.4187
292 F A 1.5802
293 N A -0.3255
294 T A 0.1284
295 L A 1.5274
296 G A 0.2955
297 G A -0.4378
298 H A -1.1174
299 S A -0.0865
300 C A 0.3145
301 V A 0.8980
302 C A 0.0000
303 V A 0.7699
304 N A -0.1426
305 G A -0.4346
306 W A 0.3524
307 T A -0.0271
308 G A -0.7024
309 E A -1.9151
310 S A -0.5419
311 C A 0.2096
312 S A -0.0351
313 Q A -0.3208
314 N A 0.0000
315 I A 0.7342
316 D A -1.6334
317 D A -0.5799
318 C A 0.0000
319 A A 0.0000
320 T A -0.0617
321 A A 0.0350
322 V A 0.0000
323 C A 0.0000
324 F A 0.3347
325 H A -0.9780
326 G A -0.6548
327 A A 0.0000
328 T A -0.0137
329 C A 0.0000
330 H A -0.5319
331 D A 0.0000
332 R A -1.1062
333 V A 0.0000
334 A A 0.0051
335 S A 0.0370
336 F A 0.5760
337 Y A 1.3783
338 C A 0.0000
339 A A 0.0635
340 C A 0.0405
341 P A -0.1127
342 M A 0.5848
343 G A -0.4869
344 K A -0.8318
345 T A -0.0951
346 G A 0.0000
347 L A 0.0000
348 L A 0.1800
349 C A 0.0000
350 H A -0.0612
351 L A 0.5018
352 D A -0.4298
353 D A -1.0266
354 A A -0.1906
355 C A 0.0000
356 V A 1.7326
357 S A 0.0620
358 N A -0.4123
359 P A -0.2931
360 C A -0.1039
361 H A -1.3072
362 E A -2.3472
363 D A -2.1348
364 A A 0.0557
365 I A 2.0374
366 C A 0.4578
367 D A -0.2415
368 T A 0.0000
369 N A 0.0000
370 P A 0.1009
371 V A 0.7787
372 N A -0.5080
373 G A -0.3027
374 R A 0.0000
375 A A 0.0000
376 I A 0.0000
377 C A 0.0000
378 T A -0.0092
379 C A 0.0000
380 P A -0.1697
381 P A -0.1158
382 G A -0.0016
383 F A 0.1339
384 T A 0.0000
385 G A -0.3947
386 G A -0.4530
387 A A -0.0426
388 C A -0.0997
389 D A -1.7555
390 Q A 0.0000
391 D A -1.7475
392 V A 0.0000
393 D A -0.9793
394 E A -0.3568
395 C A 0.5022
396 S A 0.2871
397 I A 1.8830
398 G A -0.0723
399 A A -0.1700
400 N A -0.7032
401 P A -0.1732
402 C A 0.0658
403 E A -0.6843
404 H A -0.8079
405 L A 1.3441
406 G A -0.3936
407 R A -1.7220
408 C A 0.5848
409 V A 1.1526
410 N A 0.0393
411 T A -0.1628
412 Q A -0.4035
413 G A -0.5563
414 S A -0.1783
415 F A 0.6337
416 L A 1.3753
417 C A 0.1697
418 Q A -1.1795
419 C A -0.1999
420 G A -0.2467
421 R A -0.3147
422 G A -0.3723
423 Y A 0.4024
424 T A 0.0000
425 G A -0.1818
426 P A -0.2954
427 R A -0.5770
428 C A 0.0295
429 E A 0.0000
430 T A 0.0000
431 D A 0.0000
432 V A 0.0000
433 N A 0.0000
434 E A -0.9007
435 C A 0.0000
436 L A 0.2063
437 S A -0.1102
438 G A -0.4974
439 P A -0.1892
440 C A 0.0000
441 R A -2.2452
442 N A -1.8507
443 Q A -1.6756
444 A A -0.2150
445 T A -0.0070
446 C A 0.0000
447 L A 1.4985
448 D A -0.2167
449 R A -1.1062
450 I A 1.5771
451 G A 0.0000
452 Q A -0.6424
453 F A 0.1387
454 T A 0.0432
455 C A 0.0000
456 I A 2.0126
457 C A 0.0000
458 M A 1.0545
459 A A 0.1837
460 G A 0.2837
461 F A 1.9708
462 T A 0.2304
463 G A -0.4882
464 T A 0.0310
465 Y A 0.9961
466 C A -0.0021
467 E A -1.3514
468 V A 0.1993
469 D A -1.6279
470 I A -0.4535
471 D A -2.2122
472 E A -2.1762
473 C A 0.0000
474 Q A -1.4334
475 S A -0.6493
476 S A -0.1501
477 P A -0.2668
478 C A 0.0000
479 V A 0.6153
480 N A -1.2000
481 G A -0.7312
482 G A 0.1312
483 V A 1.7703
484 C A 0.1488
485 K A -1.7256
486 D A -0.7110
487 R A -1.5793
488 V A 1.1827
489 N A -0.9781
490 G A -0.2860
491 F A 1.8337
492 S A 0.1710
493 C A 0.0546
494 T A -0.0383
495 C A -0.0040
496 P A -0.2462
497 S A -0.1159
498 G A -0.0080
499 F A 0.8145
500 S A 0.0586
501 G A -0.1850
502 S A -0.2500
503 T A -0.1066
504 C A -0.1694
505 Q A -1.1067
506 L A 0.1132
507 D A -0.1098
508 V A 1.3470
509 D A -1.5050
510 E A -0.5541
511 C A 0.0000
512 A A 0.0334
513 S A -0.1224
514 T A -0.0919
515 P A -0.2083
516 C A -0.1352
517 R A -1.8764
518 N A -0.8614
519 G A -0.5460
520 A A 0.0000
521 K A -1.1301
522 C A 0.0191
523 V A 0.2365
524 D A -0.6665
525 Q A -0.3288
526 P A -0.4466
527 D A -1.8191
528 G A -0.3328
529 Y A 0.3754
530 E A -0.5639
531 C A -0.1719
532 R A -1.7037
533 C A 0.0908
534 A A -0.2139
535 E A -1.8458
536 G A -0.1661
537 F A 1.7113
538 E A 0.0000
539 G A -0.4754
540 T A 0.1698
541 L A 1.4852
542 C A 0.9181
543 D A -0.7565
544 R A -2.0249
545 N A -1.2161
546 V A -0.0075
547 D A -2.0209
548 D A -2.1193
549 C A -0.3097
550 S A -0.3366
551 P A -0.4122
552 D A -0.6327
553 P A -0.3356
554 C A -0.1420
555 H A -1.0214
556 H A -0.4852
557 G A -0.6093
558 R A -1.7525
559 C A 0.5927
560 V A 0.8573
561 D A -1.6493
562 G A -0.2980
563 I A 1.9553
564 A A 0.3735
565 S A -0.0861
566 F A 0.5236
567 S A 0.1344
568 C A 0.0000
569 A A 0.0152
570 C A 0.0551
571 A A 0.1763
572 P A -0.2285
573 G A 0.0502
574 Y A 1.2289
575 T A 0.0000
576 G A -0.1445
577 T A -0.4452
578 R A -1.8570
579 C A 0.0000
580 E A -1.8613
581 S A -0.6610
582 Q A -0.2040
583 V A 0.6929
584 D A -0.4889
585 E A -0.4380
586 C A -0.3214
587 R A -1.8611
588 S A -0.7114
589 Q A -0.7646
590 P A -0.3588
591 C A -0.2556
592 R A -1.9494
593 H A -1.1343
594 G A -0.6176
595 G A -0.5527
596 K A -1.5847
597 C A 0.2422
598 L A 0.8043
599 D A -0.1915
600 L A 0.5976
601 V A 1.3462
602 D A -1.7725
603 K A -1.7791
604 Y A 0.0000
605 L A 0.3851
606 C A 0.0000
607 R A -1.9065
608 C A 0.0000
609 P A -0.2376
610 S A -0.3390
611 G A -0.5069
612 T A 0.0000
613 T A -0.1026
614 G A 0.0910
615 V A 1.1243
616 N A -0.9803
617 C A -0.1111
618 E A -0.5628
619 V A 0.4372
620 N A 0.0794
621 I A 1.0723
622 D A -1.5926
623 D A -0.6012
624 C A 0.6613
625 A A 0.1210
626 S A -0.2550
627 N A -0.3401
628 P A -0.2564
629 C A 0.1947
630 T A 0.2577
631 F A 1.5097
632 G A 0.4220
633 V A 1.3100
634 C A 0.0929
635 R A -2.1836
636 D A -1.4559
637 G A -0.2714
638 I A 1.2135
639 N A -1.3497
640 R A -1.8478
641 Y A 0.6347
642 D A -1.5863
643 C A 0.1290
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1968 Q A 0.0000
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1972 E A 0.0000
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1974 T A 0.0000
1975 P A 0.0000
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1977 F A 0.2390
1978 L A 0.0000
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1981 R A -1.5286
1982 E A -1.9709
1983 G A -0.5721
1984 S A 0.0346
1985 Y A 0.2159
1986 E A -1.7140
1987 A A 0.0000
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1990 L A -0.0790
1991 L A 0.0000
1992 L A -0.1203
1993 D A -1.8562
1994 H A -0.9609
1995 F A 0.3854
1996 A A 0.0809
1997 N A -0.3773
1998 R A 0.0000
1999 E A -0.2923
2000 I A 0.0000
2001 T A -0.3569
2002 D A -1.8232
2003 H A -0.3595
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2006 R A 0.0000
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2008 P A 0.0000
2009 R A -1.4309
2010 D A -1.9454
2011 V A -0.2788
2012 A A 0.0000
2013 Q A -1.0456
2014 E A -2.3356
2015 R A -1.9040
2016 L A 0.9692
2017 H A -0.1679
2018 Q A -1.5771
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2279 A A 0.1138
2280 M A 0.3628
2281 A A 0.1209
2282 T A -0.0067
2283 T A -0.0212
2284 T A -0.0617
2285 G A -0.1711
2286 A A 0.0424
2287 L A 0.1518
2288 P A -0.0751
2289 A A -0.0317
2290 Q A -0.3932
2291 P A -0.0340
2292 L A 1.4614
2293 P A 0.3153
2294 L A 0.9987
2295 S A 0.0992
2296 V A 0.2680
2297 P A -0.0464
2298 S A -0.2657
2299 S A 0.0314
2300 L A 1.4678
2301 A A 0.0000
2302 Q A 0.0000
2303 A A 0.0000
2304 Q A -0.2381
2305 T A 0.0000
2306 Q A 0.0000
2307 L A 0.0000
2308 G A -0.2421
2309 P A -0.2873
2310 Q A -1.2373
2311 P A -0.7383
2312 E A -1.5154
2313 V A 1.4159
2314 T A 0.3177
2315 P A 0.0000
2316 K A -2.0512
2317 R A -2.3976
2318 Q A -1.2165
2319 V A 1.5961
2320 L A 0.6131
2321 A A 0.1077
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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, -0.2193 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 -0.2193 View CSV PDB
model_7 -0.22 View CSV PDB
model_9 -0.2201 View CSV PDB
model_2 -0.2227 View CSV PDB
model_0 -0.2268 View CSV PDB
model_3 -0.227 View CSV PDB
model_10 -0.2283 View CSV PDB
CABS_average -0.2307 View CSV PDB
model_1 -0.2311 View CSV PDB
model_6 -0.2351 View CSV PDB
model_5 -0.2405 View CSV PDB
model_4 -0.2409 View CSV PDB
model_11 -0.2564 View CSV PDB
input -0.276 View CSV PDB