Project name: R578C_5_4D

Status: done

Started: 2026-05-22 01:13:22
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTCCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:03)
[INFO]       CABS:     Running CABS flex simulation                                                (00:30:32)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (20:25:53)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (20:27:10)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (20:28:30)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (20:29:47)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (20:31:04)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (20:32:23)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (20:33:41)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (20:34:59)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (20:36:16)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (20:37:35)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (20:38:54)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (20:40:13)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (20:41:30)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (20:43:57)
[INFO]       Main:     Simulation completed successfully.                                          (20:45:09)
Show buried residues

Minimal score value
-2.4068
Maximal score value
2.1231
Average score
-0.2065
Total score value
-479.1891

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 0.9579
2 G A -0.3458
3 P A -0.1530
4 G A -0.5276
5 A A -0.3774
6 R A -1.8763
7 G A -0.6131
8 R A -0.3281
9 R A -0.8925
10 R A -2.1591
11 R A -1.8492
12 R A -2.4068
13 R A -2.1185
14 P A -0.5331
15 M A 0.8002
16 S A 0.1004
17 P A -0.1946
18 P A -0.1315
19 P A -0.3070
20 P A -0.3374
21 P A -0.3087
22 P A -0.1390
23 P A -0.0304
24 V A 0.7836
25 R A -1.6056
26 A A -0.1815
27 L A 0.5510
28 P A 0.3230
29 L A 1.5708
30 L A 0.7856
31 L A 1.8731
32 L A 2.1231
33 L A 1.8480
34 A A 0.2588
35 G A -0.4990
36 P A -0.4037
37 G A -0.5015
38 A A -0.0429
39 A A 0.0655
40 A A 0.0000
41 P A -0.1170
42 P A -0.1312
43 C A 0.0000
44 L A 1.1608
45 D A -1.5193
46 G A -0.3363
47 S A -0.2774
48 P A -0.3042
49 C A 0.0000
50 A A -0.2031
51 N A -1.2881
52 G A -0.4412
53 G A -0.8248
54 R A -1.7944
55 C A 0.3805
56 T A -0.0969
57 Q A -1.1994
58 L A 0.0000
59 P A -0.2941
60 S A -0.4042
61 R A -1.1690
62 E A -1.9676
63 A A -0.4842
64 A A 0.0000
65 C A 0.0000
66 L A 0.8052
67 C A 0.1624
68 P A -0.2514
69 P A -0.2384
70 G A -0.3162
71 W A 0.6813
72 V A 0.0000
73 G A -0.1350
74 E A -0.5260
75 R A -0.4360
76 C A 0.0000
77 Q A -0.8065
78 L A 0.0000
79 E A -1.9373
80 D A -0.9721
81 P A -0.0409
82 C A 0.6595
83 H A -0.0365
84 S A -0.3129
85 G A -0.5764
86 P A -0.3866
87 C A 0.0000
88 A A -0.0307
89 G A -0.8164
90 R A -2.0243
91 G A -0.8178
92 V A 0.0000
93 C A 0.3749
94 Q A -1.1098
95 S A -0.3177
96 S A 0.0011
97 V A 0.5064
98 V A 0.6567
99 A A 0.0788
100 G A -0.4617
101 T A -0.0613
102 A A -0.3041
103 R A -1.8424
104 F A 0.0000
105 S A -0.4069
106 C A -0.2409
107 R A -1.7966
108 C A -0.2323
109 P A -0.5464
110 R A -2.0808
111 G A -0.8170
112 F A 0.0000
113 R A -1.1635
114 G A 0.0000
115 P A -0.5774
116 D A -1.8321
117 C A -0.3112
118 S A 0.2342
119 L A 1.5058
120 P A 0.1194
121 D A -0.3971
122 P A 0.0141
123 C A 0.7770
124 L A 0.4300
125 S A -0.0129
126 S A -0.1371
127 P A -0.2525
128 C A 0.0600
129 A A -0.0636
130 H A -0.8196
131 G A -0.6022
132 A A -0.4174
133 R A -1.7077
134 C A 0.3858
135 S A 0.2281
136 V A 0.7087
137 G A -0.1538
138 P A -0.6050
139 D A -1.8655
140 G A -0.7499
141 R A -1.3392
142 F A 0.0000
143 L A 1.5477
144 C A 0.0000
145 S A -0.0629
146 C A 0.0000
147 P A -0.2980
148 P A -0.2969
149 G A -0.3326
150 Y A -0.3352
151 Q A -1.2354
152 G A -1.0417
153 R A -1.9739
154 S A -0.4752
155 C A 0.3695
156 R A -0.3199
157 S A -0.5591
158 D A -1.5643
159 V A -0.1909
160 D A -1.7480
161 E A -0.5834
162 C A 0.0000
163 R A -1.5027
164 V A 1.3283
165 G A -0.2227
166 E A -0.6558
167 P A -0.3316
168 C A 0.0000
169 R A -2.0201
170 H A -1.1121
171 G A -0.6836
172 G A -0.7481
173 T A 0.0000
174 C A 0.3798
175 L A 0.5175
176 N A -0.5360
177 T A -0.2695
178 P A -0.3516
179 G A -0.5551
180 S A 0.0594
181 F A 1.3777
182 R A -1.3480
183 C A -0.4112
184 Q A -1.1571
185 C A -0.1591
186 P A 0.0740
187 A A 0.1575
188 G A 0.0297
189 Y A 1.1071
190 T A 0.1723
191 G A -0.2487
192 P A -0.1755
193 L A 0.5995
194 C A 0.0000
195 E A -1.2044
196 N A -1.4508
197 P A -0.1064
198 A A 0.3247
199 V A 1.7410
200 P A 0.4303
201 C A 0.5580
202 A A 0.0425
203 P A -0.2364
204 S A -0.1557
205 P A -0.2388
206 C A -0.2065
207 R A -1.8620
208 N A -0.6349
209 G A -0.1978
210 G A -0.4880
211 T A -0.0368
212 C A 0.1335
213 R A -1.8932
214 Q A -1.1057
215 S A -0.4453
216 G A -0.8467
217 D A -1.6015
218 L A 1.0766
219 T A 0.0000
220 Y A 0.1049
221 D A -0.6466
222 C A 0.0000
223 A A -0.0106
224 C A 0.2124
225 L A 0.7823
226 P A -0.0722
227 G A -0.3025
228 F A 0.6472
229 E A -1.6803
230 G A -1.0455
231 Q A -1.3298
232 N A -0.5646
233 C A 0.1615
234 E A 0.0000
235 V A 1.7367
236 N A 0.4462
237 V A 1.1543
238 D A -1.8417
239 D A -2.1160
240 C A -0.2699
241 P A -0.2026
242 G A -0.6780
243 H A -1.4459
244 R A -2.0097
245 C A 0.0814
246 L A 1.4529
247 N A -0.4615
248 G A -0.6593
249 G A -0.4394
250 T A -0.0636
251 C A 0.3088
252 V A 0.8344
253 D A -0.1073
254 G A -0.3059
255 V A 0.8458
256 N A -1.0540
257 T A -0.2378
258 Y A -0.0317
259 N A -0.6136
260 C A 0.0000
261 Q A -0.8402
262 C A 0.0000
263 P A -0.1232
264 P A -0.5399
265 E A -1.5752
266 W A -0.0531
267 T A -0.0277
268 G A -0.4187
269 Q A 0.0000
270 F A 2.0796
271 C A 1.0898
272 T A -0.2560
273 E A -1.9309
274 D A -0.8823
275 V A 0.1017
276 D A -1.3575
277 E A -0.9445
278 C A -0.3408
279 Q A -1.0997
280 L A 0.0587
281 Q A -0.7459
282 P A -0.4494
283 N A -0.2525
284 A A 0.0382
285 C A 0.0128
286 H A -0.5766
287 N A -0.4484
288 G A -0.6055
289 G A -0.5561
290 T A 0.0000
291 C A 0.8693
292 F A 1.9516
293 N A -0.1443
294 T A 0.1505
295 L A 1.4579
296 G A -0.1420
297 G A -0.3570
298 H A -0.7381
299 S A -0.2794
300 C A 0.3220
301 V A 0.6926
302 C A 0.0000
303 V A 0.1453
304 N A -0.1108
305 G A 0.0000
306 W A 1.1827
307 T A 0.2026
308 G A 0.0000
309 E A -1.8331
310 S A -0.4183
311 C A 0.0000
312 S A -0.1339
313 Q A -0.5836
314 N A -1.0783
315 I A 1.0480
316 D A -0.1143
317 D A -0.1896
318 C A 0.2781
319 A A 0.0466
320 T A -0.0585
321 A A 0.0974
322 V A 0.3203
323 C A 0.0000
324 F A 0.0009
325 H A -1.0015
326 G A -0.4500
327 A A -0.0386
328 T A -0.0152
329 C A 0.1683
330 H A -0.5328
331 D A -1.3674
332 R A -1.7166
333 V A 1.2629
334 A A 0.3490
335 S A -0.0211
336 F A 0.0000
337 Y A 1.2582
338 C A 0.0000
339 A A 0.0585
340 C A 0.0000
341 P A -0.1218
342 M A 0.2762
343 G A -0.4935
344 K A -0.6711
345 T A 0.0000
346 G A 0.0000
347 L A 0.0000
348 L A 0.2780
349 C A 0.0000
350 H A 0.0000
351 L A 0.1227
352 D A -0.4411
353 D A -1.0872
354 A A 0.0000
355 C A 0.0000
356 V A 1.7327
357 S A 0.0711
358 N A -0.3500
359 P A -0.2902
360 C A -0.0220
361 H A -0.6310
362 E A -2.0671
363 D A -1.3282
364 A A 0.1222
365 I A 1.6537
366 C A 0.2859
367 D A -0.5934
368 T A 0.0000
369 N A -0.1551
370 P A 0.0000
371 V A 0.0981
372 N A -0.7248
373 G A -0.2328
374 R A 0.0000
375 A A 0.0000
376 I A 0.0000
377 C A 0.0000
378 T A 0.1536
379 C A 0.0000
380 P A 0.0000
381 P A -0.2977
382 G A -0.0270
383 F A 1.2082
384 T A 0.1651
385 G A -0.1407
386 G A -0.3776
387 A A -0.0584
388 C A 0.0000
389 D A 0.0000
390 Q A -0.8499
391 D A -0.3036
392 V A -0.1807
393 D A -2.0929
394 E A -2.1174
395 C A -0.1836
396 S A 0.3315
397 I A 1.8698
398 G A -0.0798
399 A A -0.0680
400 N A -0.2531
401 P A -0.2791
402 C A 0.0274
403 E A 0.0000
404 H A -0.1971
405 L A 0.1599
406 G A -0.1302
407 R A -0.0329
408 C A 0.0000
409 V A 0.0000
410 N A -0.0760
411 T A -0.1258
412 Q A -0.5692
413 G A -0.5648
414 S A -0.0149
415 F A 0.6905
416 L A 0.4765
417 C A 0.0000
418 Q A -0.1019
419 C A -0.0187
420 G A -0.4291
421 R A -0.4095
422 G A -0.4408
423 Y A 0.1524
424 T A -0.0357
425 G A -0.2360
426 P A -0.3310
427 R A -0.9450
428 C A 0.0927
429 E A -0.1233
430 T A -0.1938
431 D A -0.6193
432 V A 0.2983
433 N A -1.1864
434 E A -0.4099
435 C A 0.3104
436 L A 0.4108
437 S A -0.2331
438 G A -0.5200
439 P A -0.1443
440 C A 0.0440
441 R A -0.7734
442 N A -1.5693
443 Q A -1.2183
444 A A -0.1856
445 T A 0.0425
446 C A 0.6998
447 L A 0.6015
448 D A -1.1545
449 R A -0.3950
450 I A 0.3297
451 G A -0.3193
452 Q A -0.5237
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.4778
457 C A 0.0000
458 M A 0.6051
459 A A 0.0844
460 G A -0.2269
461 F A 0.0397
462 T A 0.0202
463 G A 0.0000
464 T A 0.0000
465 Y A 0.9473
466 C A 0.0000
467 E A -1.4775
468 V A 0.0000
469 D A -1.3333
470 I A 0.0000
471 D A -1.4757
472 E A 0.0000
473 C A 0.0000
474 Q A -1.2396
475 S A -0.4573
476 S A -0.1557
477 P A -0.2677
478 C A 0.0000
479 V A 1.7175
480 N A -0.0479
481 G A -0.6093
482 G A -0.5532
483 V A 0.0000
484 C A -0.0134
485 K A -1.6228
486 D A -2.3916
487 R A -1.8971
488 V A 1.3637
489 N A -0.2041
490 G A 0.0164
491 F A 1.9154
492 S A 0.4488
493 C A 0.6677
494 T A 0.1951
495 C A 0.4153
496 P A -0.1765
497 S A -0.2821
498 G A -0.4035
499 F A 0.4456
500 S A -0.0636
501 G A -0.5101
502 S A -0.3294
503 T A -0.0561
504 C A 0.0828
505 Q A -0.6279
506 L A -0.1084
507 D A -0.9935
508 V A -0.0560
509 D A -1.4180
510 E A -1.4393
511 C A 0.0000
512 A A 0.0175
513 S A -0.2043
514 T A -0.1036
515 P A -0.2344
516 C A -0.2252
517 R A -1.7691
518 N A -1.6512
519 G A -0.6878
520 A A -0.4041
521 K A -1.6789
522 C A 0.0009
523 V A 0.7802
524 D A -0.5352
525 Q A -1.3641
526 P A -0.6627
527 D A -1.1729
528 G A -0.0602
529 Y A 0.8828
530 E A -1.5098
531 C A -0.3574
532 R A -1.6491
533 C A 0.4034
534 A A -0.0849
535 E A -1.5398
536 G A -0.6843
537 F A 0.0241
538 E A -0.8704
539 G A -0.6395
540 T A 0.2213
541 L A 1.6761
542 C A 0.8728
543 D A -0.8235
544 R A -1.1251
545 N A -0.1175
546 V A 1.3523
547 D A -0.9883
548 D A -1.6470
549 C A 0.0000
550 S A -0.3214
551 P A -0.6169
552 D A -1.8860
553 P A -0.5655
554 C A -0.0807
555 H A -1.1510
556 H A -1.2042
557 G A -0.6436
558 R A -1.8063
559 C A 0.1732
560 V A 1.0391
561 D A -0.1601
562 G A -0.1460
563 I A 0.9719
564 A A 0.2051
565 S A -0.1537
566 F A 0.3313
567 S A -0.0598
568 C A 0.0000
569 A A 0.0754
570 C A 0.1169
571 A A 0.0329
572 P A -0.2548
573 G A 0.0491
574 Y A 0.4202
575 T A -0.0322
576 G A -0.5963
577 T A -0.1033
578 C A 0.2851
579 C A 0.0000
580 E A -1.0891
581 S A -0.5803
582 Q A -0.8658
583 V A -0.0595
584 D A -0.7612
585 E A -0.9748
586 C A 0.0000
587 R A -1.8841
588 S A -0.6864
589 Q A -0.8006
590 P A -0.4214
591 C A -0.1815
592 R A -1.4079
593 H A -1.3124
594 G A -0.7671
595 G A -0.6399
596 K A -0.4786
597 C A 0.3872
598 L A 1.0541
599 D A -0.2442
600 L A 1.5820
601 V A 1.7288
602 D A -1.7786
603 K A -1.8380
604 Y A 0.1372
605 L A 0.9713
606 C A 0.0000
607 R A -0.6961
608 C A 0.0000
609 P A 0.0000
610 S A -0.3200
611 G A -0.4452
612 T A -0.1432
613 T A -0.1316
614 G A -0.4060
615 V A 0.0276
616 N A -1.1878
617 C A -0.4781
618 E A -1.6491
619 V A 0.4405
620 N A 0.0000
621 I A 1.8904
622 D A -0.5451
623 D A -1.6404
624 C A -0.0201
625 A A -0.0118
626 S A -0.3298
627 N A -0.7701
628 P A -0.3870
629 C A 0.0000
630 T A 0.2990
631 F A 1.9166
632 G A 0.6605
633 V A 1.7887
634 C A 0.1494
635 R A -2.0382
636 D A -1.1223
637 G A -0.3373
638 I A 0.4232
639 N A -1.4893
640 R A -2.0469
641 Y A -0.2368
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1932 V A 0.0000
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1935 V A 0.0000
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1938 L A 0.0000
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1940 K A -1.7089
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1950 N A -0.8753
1951 N A 0.0000
1952 V A 0.0994
1953 E A -0.7535
1954 A A 0.0000
1955 T A 0.0000
1956 L A 1.4481
1957 A A 0.3140
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1960 K A -1.9060
1961 N A -1.6788
1962 G A -0.7054
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1968 Q A 0.0000
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1970 S A -0.1960
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1972 E A 0.0000
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1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A 0.0000
1979 A A 0.0000
1980 A A 0.0000
1981 R A -1.9719
1982 E A -1.1191
1983 G A -0.5994
1984 S A 0.0000
1985 Y A 1.1372
1986 E A -0.4114
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.6637
1990 L A -0.1441
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.9812
1994 H A -1.2724
1995 F A 0.1354
1996 A A -0.0587
1997 N A -0.1449
1998 R A -0.3170
1999 E A -0.5099
2000 I A 0.0000
2001 T A 0.0000
2002 D A -0.3033
2003 H A -0.2983
2004 L A 1.4061
2005 D A -0.1181
2006 R A -0.5355
2007 L A 0.0587
2008 P A 0.0000
2009 R A 0.0000
2010 D A -0.7813
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.6218
2014 E A -2.2099
2015 R A -1.9186
2016 L A 1.0914
2017 H A -0.3516
2018 Q A -1.4018
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2020 I A 0.0000
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2275 T A -0.0057
2276 A A 0.1025
2277 T A -0.0971
2278 G A -0.2714
2279 A A -0.0293
2280 M A 0.0000
2281 A A -0.1425
2282 T A 0.0000
2283 T A -0.0188
2284 T A 0.0000
2285 G A -0.3417
2286 A A 0.1407
2287 L A 1.0268
2288 P A 0.0000
2289 A A 0.0000
2290 Q A -0.4020
2291 P A 0.0594
2292 L A 1.1586
2293 P A 0.2379
2294 L A 0.9677
2295 S A 0.2778
2296 V A 1.4911
2297 P A 0.1087
2298 S A -0.2543
2299 S A 0.0272
2300 L A 0.6231
2301 A A 0.0511
2302 Q A -0.4682
2303 A A -0.1355
2304 Q A -0.4190
2305 T A -0.3922
2306 Q A -1.2124
2307 L A -0.1361
2308 G A -0.3050
2309 P A -0.3297
2310 Q A -1.2380
2311 P A -0.8060
2312 E A -1.7874
2313 V A -0.0544
2314 T A -0.0579
2315 P A -0.5930
2316 K A -1.9282
2317 R A -1.3336
2318 Q A -0.5661
2319 V A 0.2149
2320 L A 0.2561
2321 A A 0.1093
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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, -0.2065 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 -0.2065 View CSV PDB
model_10 -0.2087 View CSV PDB
model_4 -0.2106 View CSV PDB
model_6 -0.2113 View CSV PDB
model_5 -0.2153 View CSV PDB
model_2 -0.2153 View CSV PDB
model_3 -0.2165 View CSV PDB
CABS_average -0.2179 View CSV PDB
model_9 -0.2221 View CSV PDB
model_0 -0.2228 View CSV PDB
model_7 -0.2264 View CSV PDB
model_1 -0.2268 View CSV PDB
model_11 -0.233 View CSV PDB
input -0.2793 View CSV PDB