Project name: S414C_5_4D

Status: done

Started: 2026-05-22 01:18:39
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGCFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:18:10)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (14:26:42)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (14:27:47)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (14:28:58)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (14:30:09)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (14:31:16)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (14:32:25)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (14:33:39)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (14:34:43)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (14:35:50)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (14:37:12)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (14:38:35)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (14:40:00)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (14:41:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (14:43:17)
[INFO]       Main:     Simulation completed successfully.                                          (14:44:20)
Show buried residues

Minimal score value
-2.44
Maximal score value
2.0138
Average score
-0.2186
Total score value
-507.2929

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 0.9688
2 G A -0.2970
3 P A -0.3737
4 G A -0.2221
5 A A -0.1741
6 R A -1.1518
7 G A -0.7817
8 R A -1.0093
9 R A -2.1252
10 R A -1.6107
11 R A -2.3613
12 R A -2.2578
13 R A -0.7593
14 P A -0.2748
15 M A 0.0000
16 S A -0.0793
17 P A 0.0000
18 P A 0.0000
19 P A -0.0926
20 P A -0.1181
21 P A -0.3326
22 P A -0.3456
23 P A -0.1613
24 V A 0.0000
25 R A -1.8403
26 A A -0.1915
27 L A 0.7090
28 P A -0.1104
29 L A 0.0000
30 L A 0.8273
31 L A 1.1853
32 L A 0.7213
33 L A 1.5929
34 A A 0.3396
35 G A -0.0540
36 P A -0.2175
37 G A -0.2737
38 A A -0.0196
39 A A 0.0606
40 A A 0.0000
41 P A 0.0000
42 P A -0.2399
43 C A 0.2702
44 L A 1.1720
45 D A -1.5840
46 G A -0.6383
47 S A -0.2110
48 P A -0.1864
49 C A 0.3871
50 A A -0.0423
51 N A -0.7444
52 G A -0.4258
53 G A -0.1953
54 R A 0.0000
55 C A 0.7302
56 T A 0.0759
57 Q A -0.3016
58 L A 0.0000
59 P A -0.3622
60 S A -0.4709
61 R A -1.4536
62 E A -2.0154
63 A A -0.3797
64 A A 0.0000
65 C A 0.0000
66 L A 0.2552
67 C A 0.0000
68 P A 0.0000
69 P A 0.0000
70 G A -0.0624
71 W A 0.1371
72 V A 0.0000
73 G A 0.0000
74 E A -0.6983
75 R A -0.9502
76 C A 0.0000
77 Q A -1.1108
78 L A -0.1110
79 E A -1.7107
80 D A -0.5942
81 P A -0.1943
82 C A -0.1352
83 H A -0.9997
84 S A -0.5481
85 G A -0.1306
86 P A -0.1195
87 C A 0.0000
88 A A 0.0000
89 G A -0.4663
90 R A 0.0000
91 G A -0.3786
92 V A 0.0000
93 C A 0.0000
94 Q A -0.1655
95 S A 0.0000
96 S A -0.2353
97 V A 0.0000
98 V A 0.4378
99 A A 0.0585
100 G A -0.4174
101 T A -0.1549
102 A A -0.3324
103 R A -1.4763
104 F A 1.5736
105 S A 0.2922
106 C A -0.1444
107 R A -1.7509
108 C A -0.1107
109 P A -0.2333
110 R A -0.3190
111 G A -0.4175
112 F A 0.0421
113 R A -1.7474
114 G A -0.8478
115 P A -0.6722
116 D A -1.8360
117 C A 0.0000
118 S A 0.0000
119 L A 0.3704
120 P A -0.2226
121 D A -1.3090
122 P A -0.1710
123 C A 0.8802
124 L A 0.9410
125 S A -0.0596
126 S A -0.1186
127 P A -0.2423
128 C A 0.0179
129 A A 0.0151
130 H A -0.3863
131 G A -0.4983
132 A A -0.4097
133 R A -1.8181
134 C A -0.2216
135 S A 0.0415
136 V A 0.6332
137 G A 0.0000
138 P A -0.0901
139 D A -0.3373
140 G A -0.3845
141 R A -0.6346
142 F A 0.4115
143 L A 0.7736
144 C A 0.3110
145 S A -0.1020
146 C A 0.0219
147 P A -0.2040
148 P A -0.2670
149 G A -0.4554
150 Y A -0.1340
151 Q A -1.2508
152 G A -1.0738
153 R A -1.9762
154 S A -0.4570
155 C A 0.5211
156 R A 0.0000
157 S A -0.2497
158 D A -0.2814
159 V A 0.0000
160 D A -0.7983
161 E A -1.9056
162 C A 0.0000
163 R A -0.1477
164 V A 1.4015
165 G A -0.4750
166 E A -1.7734
167 P A -0.5886
168 C A -0.3056
169 R A -2.0894
170 H A -1.4429
171 G A -0.7443
172 G A -0.5630
173 T A -0.0972
174 C A 0.4472
175 L A 1.2656
176 N A -0.8287
177 T A -0.3082
178 P A -0.2581
179 G A 0.0000
180 S A 0.2419
181 F A 1.0092
182 R A -1.5312
183 C A -0.3605
184 Q A -0.7079
185 C A 0.1131
186 P A -0.1854
187 A A -0.0186
188 G A -0.1310
189 Y A 0.0000
190 T A -0.0361
191 G A -0.1622
192 P A -0.2089
193 L A 0.3080
194 C A 0.0000
195 E A -1.0555
196 N A -1.4246
197 P A -0.4435
198 A A 0.0365
199 V A 0.3527
200 P A -0.0559
201 C A 0.0000
202 A A -0.0209
203 P A -0.2202
204 S A -0.1475
205 P A -0.2455
206 C A 0.0092
207 R A -0.4779
208 N A -1.3735
209 G A -0.5898
210 G A -0.4554
211 T A -0.0815
212 C A -0.0058
213 R A -2.0024
214 Q A -1.5839
215 S A -0.5108
216 G A -0.6754
217 D A -1.5853
218 L A 1.1568
219 T A 0.3079
220 Y A 0.9176
221 D A -0.6795
222 C A -0.0382
223 A A 0.0779
224 C A 0.3344
225 L A 1.5549
226 P A 0.3203
227 G A -0.0602
228 F A 0.8350
229 E A -1.4390
230 G A -0.8671
231 Q A -0.9298
232 N A -0.5379
233 C A 0.0000
234 E A -0.3416
235 V A 0.6738
236 N A 0.0000
237 V A 1.2180
238 D A -1.8247
239 D A -2.0644
240 C A 0.0099
241 P A -0.1107
242 G A -0.5451
243 H A -0.8123
244 R A -1.9138
245 C A 0.0000
246 L A 0.8038
247 N A -1.2130
248 G A -0.7957
249 G A -0.6933
250 T A -0.1808
251 C A 0.6035
252 V A 1.3958
253 D A -0.1808
254 G A -0.0106
255 V A 0.6803
256 N A -1.1075
257 T A -0.2648
258 Y A -0.0318
259 N A -0.8803
260 C A 0.0000
261 Q A -1.1983
262 C A 0.0000
263 P A -0.2799
264 P A -0.4418
265 E A -0.9214
266 W A 0.0000
267 T A -0.0339
268 G A -0.4297
269 Q A -1.0051
270 F A 0.8588
271 C A 0.0000
272 T A -0.1555
273 E A -0.7171
274 D A -0.5918
275 V A 0.0185
276 D A -1.5631
277 E A -0.7763
278 C A 0.0000
279 Q A -1.0159
280 L A 0.5538
281 Q A -0.4476
282 P A -0.4377
283 N A -0.5000
284 A A 0.0000
285 C A 0.1394
286 H A -0.1250
287 N A -0.3397
288 G A -0.2060
289 G A -0.4636
290 T A -0.0382
291 C A 0.8907
292 F A 1.9964
293 N A 0.1396
294 T A 0.1783
295 L A 1.4463
296 G A -0.2626
297 G A -0.6222
298 H A -0.4846
299 S A -0.2624
300 C A 0.4599
301 V A 1.8271
302 C A 0.5699
303 V A 0.1844
304 N A -0.1478
305 G A 0.0000
306 W A 0.0000
307 T A -0.1069
308 G A -0.5923
309 E A -1.8710
310 S A -0.3680
311 C A 0.0000
312 S A 0.0000
313 Q A -0.2105
314 N A 0.0343
315 I A 1.6263
316 D A -1.4709
317 D A -0.6115
318 C A 0.0248
319 A A 0.0368
320 T A 0.0000
321 A A 0.2412
322 V A 0.0000
323 C A 0.0000
324 F A 1.8757
325 H A -0.0785
326 G A -0.5333
327 A A -0.0843
328 T A -0.0090
329 C A 0.2064
330 H A -0.5023
331 D A -0.5331
332 R A 0.0000
333 V A 0.0000
334 A A 0.0000
335 S A 0.0000
336 F A 0.0000
337 Y A 0.1463
338 C A 0.0000
339 A A 0.0511
340 C A 0.1468
341 P A -0.0235
342 M A 0.9639
343 G A -0.2308
344 K A -1.1749
345 T A -0.2317
346 G A -0.0490
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A -0.9398
351 L A 0.0000
352 D A -1.7894
353 D A 0.0000
354 A A -0.0181
355 C A 0.0000
356 V A 0.3362
357 S A -0.3808
358 N A -1.3615
359 P A -0.4754
360 C A -0.1060
361 H A -1.1223
362 E A -1.3592
363 D A -1.9451
364 A A -0.0700
365 I A 1.2830
366 C A 0.3532
367 D A -0.5855
368 T A -0.1303
369 N A 0.0000
370 P A 0.0000
371 V A 0.0000
372 N A 0.0000
373 G A -0.1955
374 R A -0.2173
375 A A 0.0424
376 I A 0.4788
377 C A 0.8126
378 T A 0.1540
379 C A 0.1048
380 P A -0.0851
381 P A -0.2815
382 G A -0.0032
383 F A 0.5763
384 T A 0.0349
385 G A -0.4050
386 G A -0.1798
387 A A -0.0025
388 C A 0.0000
389 D A -0.2210
390 Q A 0.0000
391 D A -0.3221
392 V A 0.0000
393 D A 0.0000
394 E A 0.0000
395 C A 0.0000
396 S A 0.0000
397 I A 0.0000
398 G A 0.0000
399 A A 0.0000
400 N A 0.0000
401 P A -0.0560
402 C A 0.0000
403 E A -1.7169
404 H A -0.6716
405 L A 0.0993
406 G A -0.1443
407 R A -0.2322
408 C A 0.0000
409 V A 0.0000
410 N A 0.0000
411 T A -0.0682
412 Q A -0.7984
413 G A -0.4591
414 C A 0.7008
415 F A 0.6008
416 L A 0.8264
417 C A 0.0000
418 Q A -0.7116
419 C A -0.0766
420 G A -0.1201
421 R A 0.0000
422 G A -0.0980
423 Y A 1.2387
424 T A 0.2081
425 G A -0.1442
426 P A 0.0000
427 R A -0.7034
428 C A 0.0000
429 E A 0.0000
430 T A 0.0000
431 D A 0.0000
432 V A 1.4096
433 N A 0.0000
434 E A -0.2229
435 C A 0.0000
436 L A 0.6221
437 S A -0.1005
438 G A -0.0379
439 P A -0.1002
440 C A 0.0000
441 R A -0.4792
442 N A -0.8774
443 Q A -1.3073
444 A A 0.0000
445 T A -0.0141
446 C A 0.0000
447 L A 0.3713
448 D A 0.0000
449 R A 0.0323
450 I A 0.8887
451 G A -0.4848
452 Q A -1.1056
453 F A 0.0973
454 T A 0.0313
455 C A 0.0000
456 I A 2.0126
457 C A 0.0000
458 M A 1.0644
459 A A 0.2409
460 G A 0.4863
461 F A 1.9028
462 T A 0.3685
463 G A 0.0000
464 T A -0.0306
465 Y A 0.0000
466 C A 0.0000
467 E A 0.0000
468 V A 0.0000
469 D A 0.3342
470 I A 1.2665
471 D A -1.0708
472 E A -1.9704
473 C A -0.3859
474 Q A -1.2041
475 S A -0.4799
476 S A -0.2690
477 P A -0.0994
478 C A 0.4346
479 V A 1.6668
480 N A -0.3647
481 G A -0.3315
482 G A 0.1275
483 V A 1.7713
484 C A 0.2033
485 K A -1.7711
486 D A -1.1895
487 R A -1.6126
488 V A 1.4004
489 N A 0.2309
490 G A 0.0000
491 F A 0.5657
492 S A -0.1129
493 C A 0.0795
494 T A -0.0270
495 C A 0.0965
496 P A -0.0483
497 S A -0.3091
498 G A -0.1372
499 F A 1.8242
500 S A 0.1467
501 G A -0.4609
502 S A -0.3003
503 T A -0.0689
504 C A -0.0276
505 Q A -1.1568
506 L A 0.0000
507 D A -1.3363
508 V A -0.0316
509 D A -0.4875
510 E A -0.9124
511 C A 0.3044
512 A A 0.0255
513 S A -0.0856
514 T A -0.1200
515 P A -0.1306
516 C A 0.0972
517 R A -1.8573
518 N A -1.0002
519 G A -0.5711
520 A A -0.3744
521 K A -1.6123
522 C A 0.2060
523 V A 0.0517
524 D A -1.8535
525 Q A -1.0538
526 P A -0.5634
527 D A -1.1338
528 G A -0.3032
529 Y A -0.1881
530 E A -1.7502
531 C A -0.4554
532 R A -1.7496
533 C A -0.0515
534 A A -0.2294
535 E A -1.8493
536 G A -0.1985
537 F A 1.6059
538 E A -1.2134
539 G A -0.7006
540 T A 0.1885
541 L A 1.6805
542 C A 0.6855
543 D A -2.1250
544 R A -2.0630
545 N A -0.8396
546 V A 1.2511
547 D A -1.7942
548 D A -1.9997
549 C A -0.2164
550 S A -0.0722
551 P A -0.6073
552 D A -2.0013
553 P A -0.7749
554 C A 0.0000
555 H A -1.3581
556 H A -1.2304
557 G A -0.8101
558 R A -1.8963
559 C A 0.0000
560 V A 0.4840
561 D A -0.2419
562 G A 0.1691
563 I A 0.5412
564 A A 0.1387
565 S A 0.0888
566 F A 1.3948
567 S A 0.1772
568 C A 0.0691
569 A A 0.0453
570 C A 0.0000
571 A A -0.0874
572 P A -0.3307
573 G A -0.4792
574 Y A 0.0226
575 T A -0.0887
576 G A -0.4802
577 T A -0.5043
578 R A -1.7906
579 C A -0.5971
580 E A -1.8192
581 S A -0.5386
582 Q A -0.2768
583 V A 0.6504
584 D A -0.0603
585 E A -0.2452
586 C A 0.6073
587 R A -0.3009
588 S A -0.3511
589 Q A -0.3987
590 P A -0.0839
591 C A -0.1024
592 R A -1.8688
593 H A -0.9424
594 G A -0.3942
595 G A -0.8127
596 K A -1.7407
597 C A 0.6994
598 L A 1.3446
599 D A -1.2705
600 L A 1.1728
601 V A 1.6224
602 D A -1.1613
603 K A -1.1620
604 Y A 0.6431
605 L A 0.0000
606 C A 0.1307
607 R A -0.8207
608 C A 0.5667
609 P A 0.0775
610 S A -0.2714
611 G A -0.3367
612 T A -0.1376
613 T A -0.1628
614 G A -0.2729
615 V A 0.7730
616 N A -1.0681
617 C A 0.0000
618 E A -0.1337
619 V A 0.0623
620 N A 0.0000
621 I A 1.9410
622 D A -0.2181
623 D A -1.1363
624 C A -0.1689
625 A A -0.0775
626 S A -0.2836
627 N A -0.5170
628 P A -0.3037
629 C A 0.0299
630 T A 0.3469
631 F A 1.9042
632 G A 0.5641
633 V A 1.9494
634 C A 0.1195
635 R A -1.9041
636 D A -0.9686
637 G A 0.0000
638 I A 1.4362
639 N A -1.3097
640 R A -2.0179
641 Y A -0.0578
642 D A -0.1944
643 C A 0.3949
644 V A 1.9709
645 C A 0.0000
646 Q A -0.2664
647 P A -0.3838
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2282 T A -0.0248
2283 T A -0.0887
2284 T A -0.1562
2285 G A -0.3840
2286 A A 0.2368
2287 L A 1.4278
2288 P A 0.1831
2289 A A -0.0572
2290 Q A -0.5391
2291 P A -0.3025
2292 L A 0.0712
2293 P A -0.1569
2294 L A 0.0000
2295 S A -0.2423
2296 V A 0.0000
2297 P A -0.2549
2298 S A 0.0000
2299 S A -0.0415
2300 L A 0.0000
2301 A A -0.1650
2302 Q A -1.1857
2303 A A -0.4483
2304 Q A -1.2268
2305 T A -0.5070
2306 Q A -1.1114
2307 L A 0.2579
2308 G A 0.0000
2309 P A -0.1368
2310 Q A -0.2462
2311 P A -0.5248
2312 E A -1.0083
2313 V A 1.3962
2314 T A 0.0000
2315 P A -0.5331
2316 K A -1.5249
2317 R A 0.0000
2318 Q A -0.9277
2319 V A 0.2669
2320 L A 0.6704
2321 A A 0.1700
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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, -0.2186 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_4 -0.2186 View CSV PDB
model_0 -0.2192 View CSV PDB
model_2 -0.2193 View CSV PDB
model_1 -0.229 View CSV PDB
model_9 -0.2305 View CSV PDB
model_10 -0.2309 View CSV PDB
model_7 -0.233 View CSV PDB
CABS_average -0.234 View CSV PDB
model_3 -0.2391 View CSV PDB
model_6 -0.2404 View CSV PDB
model_8 -0.2448 View CSV PDB
model_11 -0.2463 View CSV PDB
model_5 -0.2572 View CSV PDB
input -0.2785 View CSV PDB