Project name: R1076C_5_4D

Status: done

Started: 2026-05-22 01:16:56
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGCTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:16:55)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (14:11:20)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (14:13:33)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (14:15:04)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (14:16:08)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (14:17:10)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (14:18:15)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (14:19:22)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (14:20:29)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (14:21:36)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (14:22:38)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (14:23:43)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (14:24:49)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (14:25:52)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (14:28:03)
[INFO]       Main:     Simulation completed successfully.                                          (14:29:10)
Show buried residues

Minimal score value
-2.5281
Maximal score value
2.446
Average score
-0.2293
Total score value
-532.3013

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 0.9658
2 G A -0.3181
3 P A -0.3915
4 G A -0.3361
5 A A -0.3641
6 R A -1.9261
7 G A -0.9079
8 R A -0.9087
9 R A -2.0654
10 R A -1.3960
11 R A -2.3199
12 R A -2.3400
13 R A -1.2028
14 P A -0.2531
15 M A 0.7891
16 S A 0.0000
17 P A -0.0612
18 P A -0.1379
19 P A -0.1733
20 P A -0.3474
21 P A -0.3314
22 P A -0.1377
23 P A -0.1546
24 V A 0.9144
25 R A -1.6139
26 A A -0.3158
27 L A 0.0000
28 P A 0.0271
29 L A 1.7402
30 L A 2.1258
31 L A 2.1304
32 L A 2.1335
33 L A 1.8518
34 A A 0.2555
35 G A -0.4054
36 P A -0.2008
37 G A -0.3682
38 A A 0.0000
39 A A -0.1137
40 A A 0.0000
41 P A -0.2549
42 P A 0.0000
43 C A 0.4112
44 L A 1.2314
45 D A -1.5863
46 G A -0.8209
47 S A -0.1653
48 P A -0.1129
49 C A 0.0000
50 A A -0.0104
51 N A -0.4671
52 G A -0.5886
53 G A -0.7639
54 R A -1.8620
55 C A -0.1553
56 T A 0.0000
57 Q A -1.0676
58 L A 0.4195
59 P A -0.1380
60 S A -0.3940
61 R A -1.7976
62 E A -2.0933
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.7601
67 C A 0.0000
68 P A -0.3345
69 P A -0.3493
70 G A -0.0598
71 W A 0.2094
72 V A 0.7261
73 G A 0.0000
74 E A -1.4552
75 R A -1.2909
76 C A 0.0000
77 Q A -0.5791
78 L A -0.3019
79 E A -1.8521
80 D A -0.9542
81 P A -0.1838
82 C A 0.0844
83 H A -0.9770
84 S A -0.4406
85 G A -0.2699
86 P A -0.1753
87 C A 0.0671
88 A A -0.2160
89 G A -0.8067
90 R A -1.9813
91 G A -0.4632
92 V A 0.8814
93 C A 0.1465
94 Q A -0.7341
95 S A -0.1923
96 S A -0.1814
97 V A 0.6267
98 V A 0.8553
99 A A 0.0745
100 G A -0.4713
101 T A -0.0503
102 A A -0.2948
103 R A -1.8098
104 F A -0.1821
105 S A -0.0096
106 C A 0.0000
107 R A -1.0875
108 C A -0.0927
109 P A -0.5220
110 R A -1.6176
111 G A 0.0000
112 F A 1.5639
113 R A -1.5270
114 G A -0.8431
115 P A -0.8001
116 D A -1.7994
117 C A 0.0000
118 S A -0.1574
119 L A 0.0648
120 P A -0.0606
121 D A -0.3625
122 P A -0.2628
123 C A 0.4572
124 L A 1.4791
125 S A 0.0274
126 S A -0.3005
127 P A -0.2673
128 C A 0.0832
129 A A -0.0020
130 H A -0.5197
131 G A -0.5495
132 A A -0.4348
133 R A -1.8208
134 C A -0.2542
135 S A 0.0762
136 V A 0.5700
137 G A -0.0672
138 P A -0.4194
139 D A -1.8837
140 G A -1.1492
141 R A -1.8315
142 F A 0.5157
143 L A 1.6470
144 C A 0.4114
145 S A -0.2173
146 C A 0.0000
147 P A -0.1610
148 P A -0.3302
149 G A -0.1834
150 Y A 0.6551
151 Q A -1.0303
152 G A -0.6319
153 R A -1.8942
154 S A -0.5505
155 C A 0.0696
156 R A 0.0000
157 S A -0.0490
158 D A 0.0000
159 V A 1.7336
160 D A 0.0492
161 E A -0.4758
162 C A -0.2918
163 R A -1.5375
164 V A 1.2243
165 G A -0.3498
166 E A -1.1375
167 P A -0.3069
168 C A -0.3055
169 R A -2.0200
170 H A -1.4675
171 G A -0.7164
172 G A -0.5109
173 T A -0.1473
174 C A 0.5826
175 L A 1.2044
176 N A -0.0969
177 T A -0.1141
178 P A -0.2271
179 G A -0.5203
180 S A -0.1660
181 F A -0.0114
182 R A -1.6166
183 C A -0.4627
184 Q A -1.1088
185 C A 0.1054
186 P A -0.1455
187 A A -0.0523
188 G A -0.2240
189 Y A 0.4069
190 T A -0.0294
191 G A -0.3022
192 P A -0.2625
193 L A 0.1453
194 C A 0.0000
195 E A -0.8977
196 N A -1.3078
197 P A -0.4620
198 A A 0.3290
199 V A 1.5737
200 P A 0.1193
201 C A 0.2626
202 A A 0.0398
203 P A -0.2127
204 S A -0.1899
205 P A -0.3358
206 C A 0.0000
207 R A -2.0862
208 N A -1.6472
209 G A -0.4544
210 G A -0.5188
211 T A -0.0870
212 C A -0.1562
213 R A -2.1500
214 Q A -1.5752
215 S A -0.5224
216 G A -0.8456
217 D A -1.5867
218 L A 1.2045
219 T A 0.5237
220 Y A 1.0994
221 D A -0.9855
222 C A 0.0720
223 A A 0.0782
224 C A 0.3138
225 L A 1.5476
226 P A 0.3123
227 G A 0.1822
228 F A 1.3005
229 E A -1.5692
230 G A -0.9962
231 Q A -1.4953
232 N A -1.5056
233 C A -0.4525
234 E A -1.7206
235 V A 0.0000
236 N A -0.9518
237 V A 0.0695
238 D A -0.7175
239 D A -1.0362
240 C A 0.0000
241 P A -0.4255
242 G A -0.6643
243 H A -1.1202
244 R A -1.1902
245 C A 0.3220
246 L A 0.4724
247 N A -0.9567
248 G A -0.7381
249 G A -0.5560
250 T A -0.0107
251 C A 0.8109
252 V A 1.7974
253 D A -0.0294
254 G A -0.0614
255 V A 1.4770
256 N A 0.0000
257 T A -0.0739
258 Y A -0.1621
259 N A -1.2330
260 C A -0.3381
261 Q A -1.1848
262 C A 0.0000
263 P A -0.2595
264 P A -0.2290
265 E A -0.6515
266 W A 0.9916
267 T A 0.1072
268 G A -0.7001
269 Q A -1.2290
270 F A 0.0593
271 C A 0.1239
272 T A -0.0330
273 E A -0.4003
274 D A -1.7462
275 V A -0.2413
276 D A -1.6631
277 E A -0.5746
278 C A 0.0000
279 Q A -0.9308
280 L A 0.9464
281 Q A -0.9823
282 P A -0.6541
283 N A -0.9125
284 A A -0.0880
285 C A -0.0686
286 H A -1.2083
287 N A -1.5248
288 G A -0.7814
289 G A -0.4292
290 T A -0.0895
291 C A 0.6624
292 F A 1.7424
293 N A -0.9360
294 T A 0.0119
295 L A 1.4930
296 G A 0.0186
297 G A -0.1887
298 H A -0.4482
299 S A 0.1968
300 C A 0.4010
301 V A 0.7817
302 C A 0.4632
303 V A 0.0747
304 N A -0.2637
305 G A -0.2492
306 W A 1.1374
307 T A 0.1211
308 G A -0.8127
309 E A -1.9476
310 S A -0.4366
311 C A 0.5724
312 S A -0.0352
313 Q A -0.7806
314 N A -1.2687
315 I A 0.1134
316 D A 0.0000
317 D A -0.2768
318 C A 0.0000
319 A A 0.0281
320 T A -0.0943
321 A A 0.0000
322 V A 0.5635
323 C A 0.0000
324 F A 0.0000
325 H A -1.0302
326 G A -0.3967
327 A A -0.0273
328 T A -0.0531
329 C A 0.0000
330 H A -0.2160
331 D A 0.0000
332 R A -1.4316
333 V A 0.6665
334 A A 0.2461
335 S A 0.0000
336 F A 0.0000
337 Y A 0.1415
338 C A 0.0000
339 A A 0.0338
340 C A 0.0495
341 P A -0.1317
342 M A 0.4144
343 G A -0.4619
344 K A -0.8520
345 T A -0.1618
346 G A 0.0000
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A 0.0000
351 L A -0.1391
352 D A -1.8510
353 D A -0.8623
354 A A -0.0774
355 C A 0.0000
356 V A 0.1960
357 S A -0.4110
358 N A -1.3620
359 P A -0.4629
360 C A 0.0000
361 H A 0.0000
362 E A -0.9997
363 D A -0.6857
364 A A 0.0000
365 I A 1.3752
366 C A 0.0000
367 D A -0.4848
368 T A 0.0000
369 N A 0.0000
370 P A 0.0000
371 V A 0.0000
372 N A -0.5126
373 G A -0.3003
374 R A 0.0000
375 A A 0.1232
376 I A 0.5722
377 C A 0.4454
378 T A 0.0359
379 C A 0.0649
380 P A -0.2029
381 P A -0.2262
382 G A -0.4403
383 F A 0.1238
384 T A -0.0302
385 G A -0.3203
386 G A -0.5038
387 A A -0.0621
388 C A 0.0000
389 D A -1.8322
390 Q A -0.5714
391 D A 0.0000
392 V A 1.5718
393 D A -0.4036
394 E A -1.8926
395 C A 0.0000
396 S A -0.2129
397 I A 0.0000
398 G A -0.4598
399 A A -0.1133
400 N A -0.2244
401 P A -0.2938
402 C A 0.0000
403 E A -1.8409
404 H A -0.1891
405 L A 1.3147
406 G A -0.5487
407 R A -1.9119
408 C A -0.1818
409 V A 0.2966
410 N A 0.0000
411 T A 0.0000
412 Q A -0.3467
413 G A -0.5145
414 S A 0.0000
415 F A 0.4755
416 L A 0.0000
417 C A 0.0000
418 Q A -0.3973
419 C A -0.0053
420 G A -0.7460
421 R A -1.9405
422 G A -0.4401
423 Y A 0.0000
424 T A 0.0000
425 G A -0.0886
426 P A -0.0794
427 R A -0.2074
428 C A 0.0000
429 E A 0.0000
430 T A 0.0000
431 D A -0.2037
432 V A 0.0000
433 N A -0.8872
434 E A -0.7482
435 C A 0.0000
436 L A 0.5329
437 S A -0.1692
438 G A -0.5112
439 P A -0.1342
440 C A 0.0000
441 R A -2.0859
442 N A -1.6233
443 Q A 0.0000
444 A A -0.0017
445 T A -0.0349
446 C A 0.1639
447 L A 0.0000
448 D A 0.0000
449 R A 0.0000
450 I A 0.0000
451 G A -0.5022
452 Q A -0.3822
453 F A 0.1765
454 T A 0.0000
455 C A 0.0000
456 I A 0.5885
457 C A 0.0000
458 M A 0.4950
459 A A 0.0954
460 G A 0.1036
461 F A 0.9609
462 T A 0.1126
463 G A -0.1623
464 T A 0.1042
465 Y A 0.9476
466 C A 0.0000
467 E A -0.0913
468 V A 0.6542
469 D A 0.0000
470 I A 0.9072
471 D A -1.5869
472 E A -0.5157
473 C A 0.0000
474 Q A -1.2579
475 S A -0.4581
476 S A -0.1562
477 P A -0.3225
478 C A 0.0000
479 V A 1.7491
480 N A 0.0968
481 G A -0.5798
482 G A -0.4537
483 V A 0.4653
484 C A -0.0773
485 K A -1.9786
486 D A -2.2111
487 R A -1.8125
488 V A 1.3385
489 N A -0.1460
490 G A -0.0141
491 F A 1.9115
492 S A 0.0995
493 C A 0.1811
494 T A 0.0090
495 C A 0.0237
496 P A -0.2483
497 S A -0.2007
498 G A -0.0740
499 F A 1.2553
500 S A -0.0469
501 G A -0.5356
502 S A -0.2558
503 T A -0.0791
504 C A -0.1271
505 Q A -1.1772
506 L A 0.0000
507 D A -1.7436
508 V A -0.3960
509 D A -1.5095
510 E A -0.8982
511 C A 0.0000
512 A A -0.0166
513 S A -0.2139
514 T A -0.1185
515 P A -0.2216
516 C A -0.1935
517 R A -2.0474
518 N A -1.7120
519 G A -0.7052
520 A A -0.5589
521 K A -1.5835
522 C A -0.0699
523 V A 0.3432
524 D A -0.7633
525 Q A -0.5725
526 P A -0.1931
527 D A -0.2281
528 G A -0.0219
529 Y A 0.4746
530 E A -0.9421
531 C A -0.1837
532 R A -1.6337
533 C A 0.3896
534 A A -0.1493
535 E A -1.8971
536 G A -0.4421
537 F A 1.5044
538 E A -1.5377
539 G A -0.8272
540 T A 0.1364
541 L A 1.6721
542 C A 0.8494
543 D A -0.8990
544 R A -1.0674
545 N A -1.2964
546 V A -0.3638
547 D A -2.0857
548 D A -2.0945
549 C A -0.2025
550 S A -0.0603
551 P A -0.3476
552 D A -0.5475
553 P A -0.3245
554 C A -0.1347
555 H A -1.1649
556 H A -1.1977
557 G A -0.6161
558 R A -1.8172
559 C A 0.2125
560 V A 1.7381
561 D A -0.0448
562 G A -0.0393
563 I A 1.9468
564 A A 0.3615
565 S A -0.0778
566 F A 0.5749
567 S A -0.0806
568 C A 0.0000
569 A A -0.0957
570 C A 0.0000
571 A A -0.0265
572 P A -0.2805
573 G A -0.2542
574 Y A 1.2265
575 T A 0.0000
576 G A -0.4651
577 T A -0.3662
578 R A -1.3281
579 C A 0.0000
580 E A -1.2614
581 S A -0.5249
582 Q A -0.7365
583 V A 1.2828
584 D A -1.3266
585 E A -1.0277
586 C A 0.0000
587 R A -1.8843
588 S A -0.6443
589 Q A -0.5183
590 P A -0.2615
591 C A -0.2328
592 R A -1.6897
593 H A -1.3709
594 G A -0.6851
595 G A -0.7092
596 K A -1.7131
597 C A 0.0847
598 L A 1.4879
599 D A 0.1616
600 L A 1.2751
601 V A 0.4523
602 D A -2.0097
603 K A -1.8384
604 Y A -0.1068
605 L A 0.4967
606 C A 0.0000
607 R A -1.5670
608 C A 0.0000
609 P A -0.2656
610 S A -0.1944
611 G A -0.4881
612 T A -0.1461
613 T A -0.0748
614 G A -0.2996
615 V A 0.5153
616 N A -1.1227
617 C A 0.0000
618 E A -1.5720
619 V A 0.0678
620 N A -0.0781
621 I A 0.6960
622 D A -1.6062
623 D A -0.3659
624 C A 0.0937
625 A A 0.0673
626 S A -0.2894
627 N A -1.3328
628 P A -0.4701
629 C A 0.1652
630 T A 0.1476
631 F A 0.8884
632 G A -0.0247
633 V A 1.0156
634 C A -0.0192
635 R A -2.0830
636 D A -1.5629
637 G A -0.1737
638 I A 1.7548
639 N A -1.2444
640 R A -2.0562
641 Y A -0.1878
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1974 T A 0.0000
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1982 E A -2.0882
1983 G A -0.4119
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1986 E A -1.7074
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1990 L A 0.0000
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1992 L A -0.2222
1993 D A -1.8933
1994 H A -0.9781
1995 F A 0.2585
1996 A A 0.0074
1997 N A -0.6358
1998 R A 0.0000
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2010 D A -1.2120
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2012 A A 0.0000
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2014 E A -2.3981
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2018 Q A -1.5390
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2268 E A -0.6447
2269 S A -0.3223
2270 T A -0.0995
2271 P A -0.2611
2272 S A -0.1217
2273 P A -0.2581
2274 A A -0.0426
2275 T A -0.1995
2276 A A 0.0015
2277 T A -0.0925
2278 G A -0.4321
2279 A A 0.1345
2280 M A 0.8596
2281 A A 0.2120
2282 T A -0.0376
2283 T A -0.0896
2284 T A 0.0688
2285 G A -0.4878
2286 A A 0.2885
2287 L A 1.5530
2288 P A 0.0000
2289 A A -0.0811
2290 Q A -0.6728
2291 P A -0.3625
2292 L A 0.0626
2293 P A 0.0690
2294 L A 1.4727
2295 S A 0.1445
2296 V A 0.0000
2297 P A -0.2620
2298 S A -0.1034
2299 S A 0.0043
2300 L A 0.5598
2301 A A -0.0554
2302 Q A -1.1761
2303 A A -0.3578
2304 Q A -0.9423
2305 T A -0.2981
2306 Q A -0.4882
2307 L A 0.0000
2308 G A -0.1331
2309 P A -0.3538
2310 Q A -1.1858
2311 P A -0.6817
2312 E A -1.5119
2313 V A 1.4170
2314 T A 0.1966
2315 P A -0.3189
2316 K A -0.7783
2317 R A -2.1146
2318 Q A -1.5739
2319 V A 0.0000
2320 L A 0.4340
2321 A A 0.1383
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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, -0.2293 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_6 -0.2293 View CSV PDB
model_7 -0.2351 View CSV PDB
model_2 -0.2351 View CSV PDB
model_5 -0.2382 View CSV PDB
model_4 -0.2417 View CSV PDB
model_8 -0.2423 View CSV PDB
CABS_average -0.2458 View CSV PDB
model_0 -0.2472 View CSV PDB
model_1 -0.2527 View CSV PDB
model_11 -0.2537 View CSV PDB
model_9 -0.2552 View CSV PDB
model_3 -0.2557 View CSV PDB
model_10 -0.2631 View CSV PDB
input -0.2728 View CSV PDB