Project name: C185Y

Status: done

Started: 2026-05-06 05:33:00
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQYPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:17:51)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:04:34)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:05:13)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:05:53)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:06:35)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:07:14)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:07:53)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:08:32)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:09:10)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:09:49)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:10:28)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:11:08)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:11:50)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:12:30)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:13:49)
[INFO]       Main:     Simulation completed successfully.                                          (12:14:30)
Show buried residues

Minimal score value
-4.6179
Maximal score value
4.289
Average score
-0.566
Total score value
-1313.7229

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 1.6549
2 G A 0.1161
3 P A 0.2069
4 G A 0.0000
5 A A -1.6700
6 R A -1.9714
7 G A -2.5345
8 R A -3.9743
9 R A -3.9335
10 R A -4.2508
11 R A -3.8595
12 R A -3.2875
13 R A -3.3809
14 P A -2.8400
15 M A 0.0000
16 S A -1.4139
17 P A -0.3746
18 P A -0.2520
19 P A -0.4010
20 P A 0.0000
21 P A -0.1505
22 P A -0.4829
23 P A -1.1269
24 V A -0.8692
25 R A -1.7885
26 A A 0.0000
27 L A -0.2981
28 P A -0.0119
29 L A 1.1212
30 L A 1.9635
31 L A 1.3184
32 L A 1.6279
33 L A 0.7404
34 A A 0.0858
35 G A -0.6269
36 P A 0.0000
37 G A -0.8248
38 A A -0.6700
39 A A -0.8115
40 A A -0.7048
41 P A -0.5262
42 P A -0.5752
43 C A -0.3166
44 L A -0.3509
45 D A -1.9291
46 G A -1.2306
47 S A -1.0490
48 P A -0.9474
49 C A -0.5380
50 A A -0.7052
51 N A -1.5481
52 G A -1.3334
53 G A 0.0000
54 R A -1.8266
55 C A -0.7319
56 T A 0.0000
57 Q A -2.5214
58 L A 0.0000
59 P A -1.8386
60 S A -1.9427
61 R A -3.1625
62 E A -3.2089
63 A A -1.8231
64 A A -1.5500
65 C A -0.8329
66 L A -0.1163
67 C A 0.0000
68 P A -0.7720
69 P A -0.8241
70 G A -1.0828
71 W A -1.1536
72 V A -0.9448
73 G A -0.9335
74 E A -1.4210
75 R A -2.1663
76 C A 0.0000
77 Q A 0.0000
78 L A -1.0249
79 E A -2.2679
80 D A -2.5148
81 P A -1.6147
82 C A -1.1021
83 H A -0.9753
84 S A -0.7061
85 G A -0.7811
86 P A -0.4838
87 C A -0.3154
88 A A -0.6624
89 G A -0.9966
90 R A -1.2227
91 G A -0.9368
92 V A 0.0000
93 C A -0.9345
94 Q A -1.7628
95 S A -1.3554
96 S A -0.8367
97 V A 0.0000
98 V A 0.8557
99 A A 0.1214
100 G A -0.5774
101 T A -0.3663
102 A A -1.1230
103 R A -1.7266
104 F A -1.5444
105 S A -1.2576
106 C A -1.3017
107 R A -1.9680
108 C A -1.2881
109 P A 0.0000
110 R A -1.9599
111 G A -0.8447
112 F A -0.4109
113 R A 0.0000
114 G A -1.1470
115 P A -1.0482
116 D A -0.8656
117 C A 0.0000
118 S A -0.4534
119 L A -0.2894
120 P A -0.5880
121 D A 0.0000
122 P A -0.2101
123 C A 0.4478
124 L A 0.8349
125 S A 0.6302
126 S A 0.2865
127 P A -0.1306
128 C A 0.1239
129 A A -0.1490
130 H A -0.6588
131 G A -0.9649
132 A A 0.0000
133 R A 0.0000
134 C A 0.0000
135 S A 0.0000
136 V A 0.4101
137 G A 0.0000
138 P A -1.0288
139 D A 0.0000
140 G A -1.7128
141 R A -1.8237
142 F A 0.4218
143 L A 0.7125
144 C A 0.7167
145 S A -0.1719
146 C A -0.2148
147 P A -0.1045
148 P A -0.2986
149 G A -0.0972
150 Y A 0.4931
151 Q A -0.6645
152 G A -1.1208
153 R A -1.9439
154 S A -0.6856
155 C A 0.2388
156 R A 0.0000
157 S A 0.0000
158 D A -0.8053
159 V A -0.0896
160 D A 0.0000
161 E A 0.0000
162 C A -1.3460
163 R A -1.8825
164 V A -1.1664
165 G A -1.4786
166 E A -2.2476
167 P A -1.5260
168 C A -1.3309
169 R A -2.1830
170 H A -1.8114
171 G A -1.4281
172 G A -1.1478
173 T A -1.0815
174 C A -1.3651
175 L A -1.1989
176 N A -1.8637
177 T A -1.1070
178 P A -1.1295
179 G A -1.0431
180 S A -0.9448
181 F A -1.2529
182 R A -2.1701
183 C A 0.0000
184 Q A -1.6417
185 Y A -0.8209
186 P A -0.6167
187 A A 0.0000
188 G A -0.3168
189 Y A -0.0851
190 T A -0.8905
191 G A 0.0000
192 P A -0.4120
193 L A 0.3181
194 C A 0.0000
195 E A -2.0067
196 N A 0.0000
197 P A -0.7328
198 A A -0.2554
199 V A 0.0766
200 P A -0.3445
201 C A -0.9779
202 A A 0.0000
203 P A -1.0897
204 S A -1.1612
205 P A -1.1938
206 C A -1.5136
207 R A -2.0194
208 N A -2.1982
209 G A -1.7587
210 G A -1.4849
211 T A -1.3144
212 C A 0.0000
213 R A -2.3996
214 Q A -1.8857
215 S A -1.4292
216 G A -1.1266
217 D A -1.5438
218 L A -0.2662
219 T A -0.6781
220 Y A -1.4075
221 D A -1.9263
222 C A -1.6636
223 A A -1.2460
224 C A 0.0000
225 L A 0.0000
226 P A -0.7589
227 G A 0.0039
228 F A 0.4019
229 E A -1.3561
230 G A -1.6636
231 Q A -2.0444
232 N A -2.1368
233 C A -1.5221
234 E A -0.9967
235 V A 0.0577
236 N A 0.4264
237 V A 1.1907
238 D A 0.2128
239 D A -0.1597
240 C A 0.0000
241 P A -1.3112
242 G A -2.0481
243 H A -1.8802
244 R A 0.0000
245 C A 0.0000
246 L A -1.3260
247 N A -1.9128
248 G A -1.3894
249 G A -1.1590
250 T A -0.5607
251 C A -0.1169
252 V A 0.7427
253 D A 0.1644
254 G A -0.0478
255 V A 0.0680
256 N A -0.9491
257 T A -0.5326
258 Y A 0.0000
259 N A -0.4964
260 C A 0.0000
261 Q A -0.8393
262 C A -1.0285
263 P A -1.0579
264 P A -1.4552
265 E A -1.9834
266 W A -1.4251
267 T A 0.0000
268 G A -0.5982
269 Q A -0.4722
270 F A 0.7248
271 C A -0.3059
272 T A -1.0934
273 E A 0.0000
274 D A 0.0000
275 V A 0.0000
276 D A -2.0747
277 E A -1.5934
278 C A 0.0000
279 Q A -1.4274
280 L A -0.7111
281 Q A -1.1892
282 P A -0.7521
283 N A 0.0000
284 A A -0.6431
285 C A -1.0449
286 H A -1.9373
287 N A -2.1213
288 G A -1.3539
289 G A -0.7932
290 T A 0.0590
291 C A 0.1095
292 F A -0.0191
293 N A 0.0000
294 T A -0.5647
295 L A -0.6623
296 G A -1.1990
297 G A -0.3788
298 H A -0.5266
299 S A -0.6665
300 C A 0.0000
301 V A -0.3174
302 C A 0.0000
303 V A 0.2936
304 N A 0.0000
305 G A 0.0000
306 W A 0.0000
307 T A 0.0000
308 G A 0.0000
309 E A -0.8267
310 S A 0.0000
311 C A 0.0000
312 S A 0.0000
313 Q A 0.0000
314 N A 0.0000
315 I A 0.0000
316 D A 0.0000
317 D A 0.0000
318 C A 0.0000
319 A A 0.0000
320 T A 0.0000
321 A A 0.0000
322 V A 0.0000
323 C A 0.2749
324 F A 0.0000
325 H A 0.0000
326 G A 0.2566
327 A A 0.0000
328 T A -0.0684
329 C A 0.0000
330 H A -1.2271
331 D A 0.0000
332 R A -1.9807
333 V A -0.8051
334 A A -0.2578
335 S A -0.4521
336 F A 0.0000
337 Y A -0.1749
338 C A 0.0000
339 A A -0.0290
340 C A 0.0000
341 P A -0.2934
342 M A -0.6731
343 G A -0.7903
344 K A 0.0000
345 T A 0.0000
346 G A 0.0000
347 L A 0.2001
348 L A 0.0000
349 C A 0.0000
350 H A 0.0000
351 L A 0.0000
352 D A 0.0000
353 D A -0.0736
354 A A 0.0000
355 C A 0.7145
356 V A 1.7392
357 S A 0.4350
358 N A 0.0000
359 P A -0.3361
360 C A 0.0000
361 H A -1.6406
362 E A -2.6341
363 D A -2.4986
364 A A -0.6886
365 I A 1.0225
366 C A 0.8438
367 D A -0.4900
368 T A 0.0000
369 N A -1.3949
370 P A 0.0000
371 V A 0.0000
372 N A -1.7645
373 G A 0.0000
374 R A -2.7132
375 A A -1.4302
376 I A -0.0542
377 C A 0.0000
378 T A 0.3297
379 C A 0.0000
380 P A -0.4745
381 P A -0.5325
382 G A -0.7763
383 F A -0.9061
384 T A -1.2091
385 G A -1.1039
386 G A -0.7236
387 A A -0.7366
388 C A 0.0000
389 D A -2.1414
390 Q A 0.0000
391 D A -2.1004
392 V A 0.0000
393 D A -2.2356
394 E A -1.0766
395 C A 0.2994
396 S A 0.6475
397 I A 1.7942
398 G A 0.1903
399 A A 0.0272
400 N A -0.5418
401 P A -0.9084
402 C A -1.1975
403 E A -2.1346
404 H A -1.5946
405 L A -0.3607
406 G A -0.4838
407 R A -0.5577
408 C A 0.0000
409 V A 0.0000
410 N A 0.0000
411 T A 0.0000
412 Q A -1.7144
413 G A 0.0000
414 S A -0.4858
415 F A 0.0000
416 L A 0.0000
417 C A 0.0000
418 Q A -0.8125
419 C A -1.0032
420 G A -0.9210
421 R A -1.2724
422 G A -0.6747
423 Y A 0.0000
424 T A -0.8820
425 G A -0.9108
426 P A -0.7700
427 R A -0.6745
428 C A 0.0000
429 E A -1.5416
430 T A 0.0000
431 D A 0.0000
432 V A 0.0000
433 N A 0.0000
434 E A -1.3107
435 C A 0.0000
436 L A 0.5399
437 S A -0.4823
438 G A -0.3382
439 P A 0.1621
440 C A 0.0000
441 R A 0.1865
442 N A 0.0000
443 Q A 0.3251
444 A A 0.6885
445 T A 0.7561
446 C A 0.0000
447 L A 0.2047
448 D A 0.0000
449 R A -1.5925
450 I A -0.4610
451 G A -1.2451
452 Q A -1.5203
453 F A -0.3424
454 T A 0.2514
455 C A 1.4691
456 I A 2.4209
457 C A 2.0105
458 M A 1.8947
459 A A 1.4305
460 G A 0.7554
461 F A 2.1191
462 T A 0.8603
463 G A -0.0951
464 T A 0.4583
465 Y A 1.1964
466 C A 0.0000
467 E A 0.0000
468 V A 0.0000
469 D A -0.5496
470 I A -0.0942
471 D A -1.9214
472 E A -1.8414
473 C A 0.0000
474 Q A -1.9892
475 S A -1.2774
476 S A -0.3851
477 P A -0.2464
478 C A 0.5154
479 V A 1.9710
480 N A 1.1118
481 G A 0.5174
482 G A 0.4801
483 V A 1.0977
484 C A 0.1102
485 K A -1.5983
486 D A -1.8426
487 R A -2.5640
488 V A 0.0000
489 N A -1.5008
490 G A -1.0313
491 F A 0.2114
492 S A 0.2325
493 C A 1.0175
494 T A 0.8239
495 C A 0.7887
496 P A 0.2752
497 S A 0.9032
498 G A 1.2831
499 F A 2.4491
500 S A 1.0939
501 G A 0.2069
502 S A -0.5447
503 T A 0.1175
504 C A 0.9461
505 Q A 0.0000
506 L A 2.1060
507 D A 0.0000
508 V A 0.6945
509 D A -0.4683
510 E A -0.5707
511 C A -0.0819
512 A A 0.1259
513 S A -0.2016
514 T A 0.0000
515 P A -0.8111
516 C A -2.1178
517 R A -3.0893
518 N A -2.7467
519 G A -2.0056
520 A A -2.4868
521 K A -3.1855
522 C A -2.1942
523 V A 0.0000
524 D A 0.0000
525 Q A -0.7164
526 P A -1.1663
527 D A -2.1099
528 G A -1.5046
529 Y A -0.9504
530 E A -2.4404
531 C A -1.8748
532 R A -2.8915
533 C A 0.0000
534 A A -1.1178
535 E A -1.4384
536 G A -1.5599
537 F A -1.5389
538 E A -2.2812
539 G A -1.5522
540 T A -0.4268
541 L A 0.3303
542 C A 0.0000
543 D A -1.4204
544 R A -1.6928
545 N A -1.6924
546 V A -0.2793
547 D A -2.0770
548 D A -2.1330
549 C A -0.7289
550 S A -1.3339
551 P A -1.7723
552 D A -2.8412
553 P A -1.7979
554 C A -1.7259
555 H A -1.9593
556 H A -2.0818
557 G A 0.0000
558 R A -2.8456
559 C A -1.6124
560 V A -0.7068
561 D A -1.2544
562 G A -0.1688
563 I A 1.4499
564 A A 0.5658
565 S A -0.0305
566 F A -0.2436
567 S A -0.4213
568 C A -1.0907
569 A A -0.7677
570 C A -1.0983
571 A A -0.6245
572 P A -0.7262
573 G A -0.3184
574 Y A -0.6527
575 T A -0.7063
576 G A -0.9436
577 T A -1.1212
578 R A -2.1108
579 C A -1.3690
580 E A -1.8148
581 S A -0.9546
582 Q A -0.1505
583 V A 0.9422
584 D A -0.2639
585 E A -1.5184
586 C A 0.0000
587 R A -2.5606
588 S A -1.8090
589 Q A 0.0000
590 P A -2.0835
591 C A -2.1961
592 R A -2.9327
593 H A -2.4096
594 G A -1.8133
595 G A -1.8142
596 K A -2.1069
597 C A -1.1958
598 L A 0.4791
599 D A -0.2704
600 L A 1.2524
601 V A 1.6101
602 D A 0.2770
603 K A 0.0210
604 Y A 0.2603
605 L A 0.4342
606 C A -0.9196
607 R A -1.9255
608 C A 0.0000
609 P A -0.9417
610 S A -0.6461
611 G A -0.6253
612 T A -0.2607
613 T A 0.0000
614 G A -0.5830
615 V A 0.3050
616 N A -1.3473
617 C A -1.9862
618 E A -2.1913
619 V A 0.0000
620 N A -0.5207
621 I A -0.1256
622 D A -1.6438
623 D A -2.8253
624 C A 0.0000
625 A A -1.0537
626 S A -0.5411
627 N A -0.3173
628 P A -0.3067
629 C A 0.2606
630 T A 0.0897
631 F A 0.7145
632 G A 0.7983
633 V A 1.0949
634 C A -0.3196
635 R A -2.4885
636 D A -3.2222
637 G A -1.9128
638 I A -0.4612
639 N A -1.8071
640 R A -2.6942
641 Y A -1.6286
642 D A -1.2972
643 C A 0.0000
644 V A 1.1059
645 C A 0.0000
646 Q A -0.5508
647 P A -0.7745
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1974 T A 0.0000
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1982 E A -2.2860
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1991 L A -0.3059
1992 L A 0.0000
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1995 F A 0.9879
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2016 L A -0.1142
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2263 L A 0.6203
2264 S A -0.3627
2265 D A -1.5849
2266 W A -0.4134
2267 S A -1.3323
2268 E A -2.1887
2269 S A -1.2749
2270 T A -0.7683
2271 P A 0.0000
2272 S A 0.0000
2273 P A -0.4262
2274 A A -0.1810
2275 T A -0.2073
2276 A A -0.3525
2277 T A 0.1851
2278 G A 0.0000
2279 A A 0.0000
2280 M A 0.0000
2281 A A 0.8283
2282 T A 0.0000
2283 T A 0.1886
2284 T A -0.0961
2285 G A -0.8899
2286 A A -1.1828
2287 L A 0.0000
2288 P A -0.9347
2289 A A -0.8693
2290 Q A -1.0614
2291 P A -0.3220
2292 L A 0.5280
2293 P A 0.5815
2294 L A 1.7911
2295 S A 1.6250
2296 V A 2.2736
2297 P A 1.0654
2298 S A 0.5660
2299 S A 0.7784
2300 L A 0.8167
2301 A A -0.3489
2302 Q A -1.1319
2303 A A -0.9903
2304 Q A -1.0404
2305 T A -0.2502
2306 Q A 0.1996
2307 L A 1.2432
2308 G A 0.4257
2309 P A -0.1009
2310 Q A -0.3235
2311 P A -0.7146
2312 E A -0.8680
2313 V A -0.5675
2314 T A -1.1624
2315 P A -1.6654
2316 K A -2.1493
2317 R A -2.5541
2318 Q A -1.4077
2319 V A 0.8557
2320 L A 1.5158
2321 A A 0.6975
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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, -0.566 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_1 -0.566 View CSV PDB
model_6 -0.5663 View CSV PDB
model_0 -0.5712 View CSV PDB
model_2 -0.5884 View CSV PDB
model_4 -0.5988 View CSV PDB
CABS_average -0.6003 View CSV PDB
model_5 -0.6042 View CSV PDB
model_10 -0.6045 View CSV PDB
model_9 -0.6059 View CSV PDB
model_8 -0.6113 View CSV PDB
model_7 -0.618 View CSV PDB
model_3 -0.6333 View CSV PDB
model_11 -0.635 View CSV PDB
input -0.7561 View CSV PDB