Project name: R607C_4D

Status: done

Started: 2026-05-09 14:25:10
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCCCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 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                                                (00:24:55)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:06:41)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:07:27)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:08:12)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:08:57)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:09:44)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:10:29)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:11:14)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:12:00)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:12:45)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:13:30)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:14:15)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:15:01)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:15:46)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:17:20)
[INFO]       Main:     Simulation completed successfully.                                          (12:18:08)
Show buried residues

Minimal score value
-4.0889
Maximal score value
3.7853
Average score
-0.5745
Total score value
-1333.3467

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 0.7877
2 G A 0.1020
3 P A -0.6730
4 G A -1.1676
5 A A -1.4619
6 R A -2.6516
7 G A -2.2079
8 R A -2.3555
9 R A -3.0875
10 R A -2.7529
11 R A -3.0147
12 R A -2.2521
13 R A -2.0951
14 P A -1.6383
15 M A 0.0000
16 S A -1.0369
17 P A 0.0000
18 P A -0.4749
19 P A -0.6079
20 P A 0.0000
21 P A -0.8457
22 P A -0.8081
23 P A -0.6039
24 V A 0.0801
25 R A -0.4587
26 A A 0.0000
27 L A 0.5251
28 P A -0.2162
29 L A 0.0000
30 L A 0.0606
31 L A 0.2649
32 L A 0.6750
33 L A 0.9470
34 A A 0.3808
35 G A -0.3604
36 P A -0.4897
37 G A -0.6443
38 A A -0.0087
39 A A 0.1705
40 A A -0.5368
41 P A 0.0000
42 P A -1.2748
43 C A 0.0000
44 L A -0.3526
45 D A -1.5644
46 G A -1.1374
47 S A -0.7488
48 P A -0.7951
49 C A -1.1595
50 A A -1.2089
51 N A -1.7055
52 G A -1.2543
53 G A -1.3223
54 R A -1.8321
55 C A -0.2635
56 T A -0.5789
57 Q A -1.2971
58 L A -0.3732
59 P A -0.8789
60 S A -1.4437
61 R A -2.6647
62 E A -2.5112
63 A A 0.0000
64 A A -0.6208
65 C A 0.0000
66 L A 0.9094
67 C A -0.3992
68 P A -0.6111
69 P A -1.0970
70 G A 0.0000
71 W A 0.0000
72 V A 0.0000
73 G A 0.0000
74 E A -2.3660
75 R A -2.6313
76 C A -2.0059
77 Q A -2.5566
78 L A -1.9206
79 E A -2.4889
80 D A -2.1806
81 P A 0.0000
82 C A -1.0923
83 H A -1.7269
84 S A -1.3298
85 G A -0.7606
86 P A -1.1035
87 C A -0.9295
88 A A -1.0807
89 G A -1.8367
90 R A -2.3460
91 G A -1.5156
92 V A -0.9832
93 C A -0.7290
94 Q A -0.5776
95 S A -0.6412
96 S A 0.0000
97 V A 0.0000
98 V A 0.9285
99 A A 0.1794
100 G A -0.4409
101 T A -0.5811
102 A A -0.7481
103 R A -0.5886
104 F A -0.5985
105 S A 0.0000
106 C A 0.0000
107 R A -0.8703
108 C A -1.1266
109 P A -1.4406
110 R A -2.2147
111 G A -1.4118
112 F A 0.0000
113 R A -1.2453
114 G A 0.0000
115 P A -0.3672
116 D A -1.7377
117 C A -1.5149
118 S A -1.5296
119 L A -1.6590
120 P A -1.2660
121 D A -1.3385
122 P A -0.6633
123 C A -0.0167
124 L A 0.0000
125 S A -0.5303
126 S A 0.0000
127 P A -0.9523
128 C A -0.9770
129 A A -0.6152
130 H A -1.4008
131 G A -1.3387
132 A A 0.0000
133 R A -0.8865
134 C A -0.3125
135 S A -0.1231
136 V A -0.1753
137 G A -0.8058
138 P A -1.8114
139 D A -2.6254
140 G A -2.0939
141 R A -2.2493
142 F A 0.0000
143 L A -0.4695
144 C A 0.0000
145 S A -0.5586
146 C A 0.0000
147 P A 0.0000
148 P A 0.2069
149 G A 0.4398
150 Y A 0.6255
151 Q A -0.2956
152 G A 0.0000
153 R A -1.7619
154 S A -0.8473
155 C A -0.3500
156 R A -0.6472
157 S A -0.4364
158 D A 0.0406
159 V A 0.3993
160 D A 0.0000
161 E A -0.9306
162 C A -1.3079
163 R A -1.8165
164 V A -0.3460
165 G A -1.3964
166 E A -2.6610
167 P A -2.0570
168 C A -2.1640
169 R A -2.3057
170 H A -2.3407
171 G A -1.7888
172 G A -1.5614
173 T A -1.0172
174 C A -0.9648
175 L A -0.4559
176 N A -0.8775
177 T A -0.5471
178 P A -0.4232
179 G A -0.5411
180 S A -0.6825
181 F A 0.0000
182 R A -2.0271
183 C A 0.0000
184 Q A -1.9316
185 C A -1.5476
186 P A 0.0000
187 A A 0.0787
188 G A 0.6965
189 Y A 0.0000
190 T A -0.4303
191 G A -1.6078
192 P A -1.4055
193 L A 0.0000
194 C A -1.4212
195 E A 0.0000
196 N A -0.9989
197 P A 0.2022
198 A A 0.7375
199 V A 1.9769
200 P A 0.9287
201 C A 0.9365
202 A A 0.6936
203 P A -0.4603
204 S A -0.4356
205 P A -0.4176
206 C A -0.5814
207 R A -2.1074
208 N A -2.2114
209 G A -1.1685
210 G A -0.9803
211 T A -0.8088
212 C A -1.5657
213 R A -2.8203
214 Q A -2.3931
215 S A -1.5462
216 G A -1.2708
217 D A -1.6516
218 L A 0.4589
219 T A -0.6076
220 Y A -0.7650
221 D A -2.0599
222 C A -0.8791
223 A A 0.1682
224 C A 0.4998
225 L A 1.4833
226 P A 0.2805
227 G A 0.4668
228 F A 1.1681
229 E A -0.8343
230 G A -1.1760
231 Q A -1.6281
232 N A -1.6835
233 C A -0.7218
234 E A -0.9443
235 V A 0.4506
236 N A 0.0000
237 V A -0.1294
238 D A -0.8343
239 D A -0.9092
240 C A -0.9280
241 P A -1.0247
242 G A -1.2980
243 H A -1.8627
244 R A -1.9626
245 C A -1.1750
246 L A -0.0355
247 N A -1.4340
248 G A -1.5622
249 G A -1.1872
250 T A -0.6746
251 C A -0.8866
252 V A -0.9803
253 D A 0.0000
254 G A -0.1285
255 V A 0.9316
256 N A -0.5192
257 T A -0.3446
258 Y A 0.0000
259 N A -1.4100
260 C A 0.0000
261 Q A -1.7149
262 C A 0.0000
263 P A -0.8876
264 P A -1.3629
265 E A -1.8735
266 W A -0.4801
267 T A -0.7671
268 G A -0.7627
269 Q A -0.7800
270 F A 0.3570
271 C A 0.0000
272 T A -0.6428
273 E A -1.4144
274 D A -1.8252
275 V A -1.1620
276 D A -2.0019
277 E A -1.7262
278 C A -0.3019
279 Q A -0.3199
280 L A 0.6253
281 Q A -0.5359
282 P A 0.0000
283 N A -0.6232
284 A A -0.4358
285 C A 0.0000
286 H A -1.0051
287 N A -1.3899
288 G A -0.9262
289 G A -0.7023
290 T A 0.3074
291 C A 0.6280
292 F A 1.2961
293 N A -0.1347
294 T A 0.1742
295 L A 0.3705
296 G A -0.7425
297 G A -0.6202
298 H A -0.9002
299 S A 0.0856
300 C A 0.0000
301 V A 0.5247
302 C A 0.0000
303 V A 0.5019
304 N A -0.2758
305 G A -0.0673
306 W A 0.6519
307 T A -0.2770
308 G A -1.0010
309 E A -1.5457
310 S A -0.6919
311 C A 0.2458
312 S A 0.0000
313 Q A 0.0362
314 N A 0.0000
315 I A 0.3336
316 D A -0.2655
317 D A -0.7658
318 C A 0.0000
319 A A 0.3702
320 T A 0.0647
321 A A 0.5401
322 V A 1.3714
323 C A 0.0000
324 F A 1.8098
325 H A 0.0839
326 G A 0.0000
327 A A 0.0000
328 T A 0.0000
329 C A 0.0000
330 H A 0.4830
331 D A 0.0000
332 R A 0.7179
333 V A 1.9191
334 A A 0.9714
335 S A 0.5482
336 F A 1.0124
337 Y A 1.3951
338 C A 0.9601
339 A A 0.1096
340 C A 0.0000
341 P A -0.6049
342 M A -0.0204
343 G A -0.3443
344 K A -0.9728
345 T A -0.8684
346 G A -0.3920
347 L A 0.1345
348 L A 0.6375
349 C A 0.0000
350 H A 0.1457
351 L A 0.0000
352 D A -2.4487
353 D A -2.5843
354 A A 0.0000
355 C A 0.0000
356 V A 0.4014
357 S A -0.2000
358 N A 0.0000
359 P A -0.9390
360 C A -0.7313
361 H A -1.6903
362 E A -2.7245
363 D A -2.1283
364 A A -0.6205
365 I A 1.3085
366 C A 0.0000
367 D A -0.0378
368 T A 0.0000
369 N A 0.0000
370 P A -0.2253
371 V A 0.7497
372 N A -0.3023
373 G A -1.0732
374 R A 0.0000
375 A A 0.0000
376 I A 0.0000
377 C A 0.0000
378 T A 0.1678
379 C A 0.0000
380 P A 0.0000
381 P A -0.7366
382 G A -1.2847
383 F A 0.0000
384 T A 0.0000
385 G A 0.0000
386 G A -0.8129
387 A A 0.0000
388 C A -0.7039
389 D A -1.2985
390 Q A -1.1537
391 D A -0.9121
392 V A -0.6841
393 D A -1.1049
394 E A -0.9862
395 C A 0.1041
396 S A 0.8660
397 I A 2.0934
398 G A 0.9606
399 A A 0.2980
400 N A 0.0000
401 P A -0.3358
402 C A 0.0000
403 E A -0.8190
404 H A -1.0808
405 L A -0.8552
406 G A -1.2677
407 R A -1.3252
408 C A -0.2446
409 V A 0.0000
410 N A -1.3602
411 T A -1.5957
412 Q A -1.7907
413 G A -1.1527
414 S A -0.2803
415 F A 0.4802
416 L A 1.2019
417 C A 0.5460
418 Q A -0.3178
419 C A -0.5381
420 G A -0.6982
421 R A 0.0000
422 G A -0.8351
423 Y A -0.5321
424 T A -0.5494
425 G A -0.5193
426 P A -0.5557
427 R A -0.7841
428 C A -0.2726
429 E A -0.4134
430 T A -0.1910
431 D A 0.0000
432 V A 0.0000
433 N A 0.0000
434 E A -0.9018
435 C A 0.0000
436 L A 0.6645
437 S A 0.1899
438 G A -0.0918
439 P A -0.3981
440 C A -0.9918
441 R A -2.8680
442 N A -2.6559
443 Q A -2.3209
444 A A -1.0870
445 T A -0.2611
446 C A 0.2882
447 L A 0.3366
448 D A 0.0000
449 R A -0.9062
450 I A -0.6375
451 G A -1.2872
452 Q A -1.0036
453 F A -0.0285
454 T A 0.0000
455 C A 0.4264
456 I A 0.8226
457 C A 0.0000
458 M A 0.5760
459 A A 0.2349
460 G A -0.3222
461 F A 0.9524
462 T A 0.0994
463 G A -0.0486
464 T A 0.3165
465 Y A 0.9546
466 C A 0.0000
467 E A -0.6930
468 V A 0.0630
469 D A -1.7738
470 I A -1.4298
471 D A -3.0489
472 E A -2.4399
473 C A 0.0000
474 Q A -2.0479
475 S A -1.5649
476 S A -1.0462
477 P A -0.5648
478 C A 0.1877
479 V A 0.0000
480 N A -0.8005
481 G A -0.4346
482 G A 0.1832
483 V A 1.0000
484 C A -0.5030
485 K A -1.8516
486 D A -1.8907
487 R A -2.0399
488 V A -0.2059
489 N A -1.2188
490 G A -0.5850
491 F A 0.3662
492 S A -0.0316
493 C A 0.3063
494 T A 0.5353
495 C A 0.1840
496 P A -0.4785
497 S A -0.8964
498 G A -0.9446
499 F A 0.0204
500 S A -0.5871
501 G A -0.5508
502 S A -0.5686
503 T A -0.5454
504 C A 0.0000
505 Q A -1.0258
506 L A -0.8887
507 D A -2.3079
508 V A -2.0562
509 D A -2.5001
510 E A -2.6411
511 C A -0.9764
512 A A -0.2956
513 S A -0.5868
514 T A -0.7926
515 P A -1.0982
516 C A -1.5997
517 R A -2.6833
518 N A -2.5534
519 G A -1.7735
520 A A -1.7244
521 K A -2.2329
522 C A 0.0000
523 V A 0.1253
524 D A -1.1464
525 Q A -1.6402
526 P A -1.6347
527 D A -2.7437
528 G A -1.2921
529 Y A -0.1139
530 E A -0.5264
531 C A -0.1834
532 R A -1.8800
533 C A -1.2460
534 A A -1.1601
535 E A -1.7379
536 G A -0.6157
537 F A 0.3877
538 E A -1.1407
539 G A -1.0809
540 T A -0.2452
541 L A 0.5706
542 C A 0.0000
543 D A -0.8205
544 R A -1.2986
545 N A 0.0000
546 V A 1.2761
547 D A -0.3681
548 D A -1.4720
549 C A 0.0000
550 S A -0.9024
551 P A -1.5687
552 D A -2.3441
553 P A -2.1500
554 C A 0.0000
555 H A -1.7600
556 H A -1.6427
557 G A -1.3151
558 R A -1.9508
559 C A -0.4641
560 V A 0.8515
561 D A -0.3297
562 G A 0.5214
563 I A 1.6809
564 A A 1.0785
565 S A 0.0000
566 F A 0.7072
567 S A -0.3368
568 C A 0.0000
569 A A -1.2847
570 C A 0.0000
571 A A -0.7593
572 P A -0.9377
573 G A -1.0183
574 Y A 0.0015
575 T A 0.0000
576 G A -1.3153
577 T A -1.5034
578 R A -2.9796
579 C A -2.8529
580 E A -2.6937
581 S A -1.7741
582 Q A -1.2636
583 V A -0.0639
584 D A -1.6223
585 E A -1.8472
586 C A 0.0000
587 R A -2.3710
588 S A -2.0332
589 Q A -2.3008
590 P A -1.5103
591 C A -0.9657
592 R A -0.4671
593 H A -0.7432
594 G A -1.0870
595 G A -1.1332
596 K A -1.2069
597 C A -0.5215
598 L A 0.5403
599 D A -0.2779
600 L A 0.9254
601 V A 0.9456
602 D A -1.1799
603 K A -1.0992
604 Y A 0.1092
605 L A 1.0761
606 C A -0.0074
607 C A 0.4776
608 C A 0.0000
609 P A -0.4668
610 S A 0.0000
611 G A -0.3027
612 T A -0.0740
613 T A 0.0000
614 G A -0.2065
615 V A 0.5090
616 N A -0.6021
617 C A 0.0000
618 E A -1.4639
619 V A 0.2161
620 N A 0.0000
621 I A 0.6767
622 D A -0.1983
623 D A -0.2386
624 C A 0.4572
625 A A 0.4364
626 S A 0.6969
627 N A 0.2923
628 P A 0.2057
629 C A 0.4897
630 T A 0.7874
631 F A 1.9649
632 G A 1.3568
633 V A 1.1824
634 C A 0.5170
635 R A -1.3831
636 D A -1.1451
637 G A -0.4318
638 I A 0.6486
639 N A -1.2753
640 R A -1.7311
641 Y A -0.1935
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2261 P A -0.2545
2262 S A -0.1174
2263 L A 0.8512
2264 S A -0.4901
2265 D A -1.7776
2266 W A -1.1023
2267 S A -1.3966
2268 E A -2.1288
2269 S A -1.2272
2270 T A 0.0000
2271 P A -0.7917
2272 S A -0.2465
2273 P A -0.0123
2274 A A -0.1606
2275 T A -0.1553
2276 A A -0.0726
2277 T A -0.2790
2278 G A -0.6510
2279 A A 0.0000
2280 M A -0.0853
2281 A A -0.1892
2282 T A -0.5196
2283 T A -0.4521
2284 T A -0.5779
2285 G A -0.1709
2286 A A 0.5165
2287 L A 1.3522
2288 P A -0.0728
2289 A A 0.1242
2290 Q A -0.4914
2291 P A -0.1942
2292 L A 0.2956
2293 P A 0.4107
2294 L A 1.3908
2295 S A 0.6355
2296 V A 0.6148
2297 P A -0.0758
2298 S A 0.0000
2299 S A -0.3725
2300 L A -0.3694
2301 A A -0.6142
2302 Q A -1.3815
2303 A A 0.0000
2304 Q A -1.1918
2305 T A -0.9456
2306 Q A -1.1630
2307 L A 0.1877
2308 G A -1.0509
2309 P A -1.2787
2310 Q A -1.7482
2311 P A -1.2266
2312 E A -1.7246
2313 V A 0.3526
2314 T A -0.7323
2315 P A -1.4084
2316 K A -1.9270
2317 R A -1.2423
2318 Q A -0.9048
2319 V A 0.0000
2320 L A 0.4076
2321 A A 0.2781
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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, -0.5745 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_3 -0.5745 View CSV PDB
model_0 -0.5746 View CSV PDB
model_1 -0.576 View CSV PDB
model_2 -0.5768 View CSV PDB
model_10 -0.5886 View CSV PDB
model_5 -0.5904 View CSV PDB
CABS_average -0.5936 View CSV PDB
model_8 -0.6012 View CSV PDB
model_7 -0.603 View CSV PDB
model_11 -0.6037 View CSV PDB
model_4 -0.6042 View CSV PDB
model_9 -0.6145 View CSV PDB
model_6 -0.6161 View CSV PDB
input -0.7519 View CSV PDB