Project name: D1171V_5_4D

Status: done

Started: 2026-06-12 13:49:24
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLVSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:25:56)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:34:29)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:35:13)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:35:56)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:36:40)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:37:23)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:38:07)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:38:51)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:39:35)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:40:18)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:41:01)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:41:45)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:42:28)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:43:11)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:44:37)
[INFO]       Main:     Simulation completed successfully.                                          (12:45:22)
Show buried residues

Minimal score value
-2.5599
Maximal score value
2.0912
Average score
-0.2033
Total score value
-471.8523

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 0.1645
2 G A -0.1230
3 P A 0.0000
4 G A -0.1823
5 A A 0.0000
6 R A -0.2357
7 G A -0.8054
8 R A -2.2651
9 R A -1.7456
10 R A -2.5293
11 R A -1.7885
12 R A 0.0000
13 R A -0.4774
14 P A -0.1499
15 M A 0.0000
16 S A -0.0509
17 P A 0.0000
18 P A -0.2880
19 P A -0.3059
20 P A -0.1500
21 P A -0.2664
22 P A -0.1737
23 P A -0.1372
24 V A 0.0000
25 R A -0.5621
26 A A 0.1509
27 L A 1.3357
28 P A 0.3903
29 L A 1.9554
30 L A 1.0564
31 L A 0.0000
32 L A 1.7726
33 L A 1.7960
34 A A 0.2692
35 G A -0.3229
36 P A -0.1491
37 G A 0.0467
38 A A 0.0000
39 A A 0.0355
40 A A 0.0000
41 P A 0.0000
42 P A 0.0000
43 C A 0.0000
44 L A 0.0602
45 D A -1.7065
46 G A -0.7937
47 S A -0.1794
48 P A -0.2283
49 C A 0.1378
50 A A -0.2021
51 N A -1.3577
52 G A -0.7163
53 G A -0.4224
54 R A -1.7550
55 C A -0.2331
56 T A -0.1079
57 Q A -0.5662
58 L A -0.1817
59 P A -0.2191
60 S A -0.6030
61 R A -2.0365
62 E A -1.4013
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.5686
67 C A 0.0000
68 P A -0.2892
69 P A -0.3076
70 G A -0.2581
71 W A 0.3774
72 V A 0.0000
73 G A 0.0000
74 E A 0.0000
75 R A -1.1300
76 C A 0.0000
77 Q A -0.3639
78 L A 1.0166
79 E A -0.3791
80 D A -1.8535
81 P A -0.4370
82 C A 0.2872
83 H A -0.0829
84 S A -0.2523
85 G A -0.1981
86 P A -0.2758
87 C A 0.0000
88 A A 0.0000
89 G A -0.1965
90 R A -0.6836
91 G A 0.0000
92 V A 0.0000
93 C A 0.0000
94 Q A -0.1689
95 S A -0.0706
96 S A 0.0000
97 V A 0.0000
98 V A 0.0000
99 A A 0.0000
100 G A -0.0567
101 T A -0.0233
102 A A 0.0000
103 R A 0.0000
104 F A 0.0000
105 S A 0.0000
106 C A 0.0000
107 R A -0.5726
108 C A -0.0474
109 P A -0.3627
110 R A -1.8970
111 G A -0.6007
112 F A 0.0000
113 R A -1.5848
114 G A -0.4630
115 P A 0.0000
116 D A -0.5175
117 C A 0.0357
118 S A 0.0382
119 L A 0.1713
120 P A 0.0000
121 D A -0.4429
122 P A 0.0000
123 C A 0.3634
124 L A 1.5214
125 S A 0.0755
126 S A 0.0000
127 P A -0.2378
128 C A 0.0554
129 A A 0.0526
130 H A -0.1545
131 G A -0.2366
132 A A -0.3478
133 R A -1.7529
134 C A 0.0892
135 S A 0.2474
136 V A 0.3199
137 G A 0.0000
138 P A -0.4275
139 D A -1.8946
140 G A -1.0546
141 R A -1.4991
142 F A 0.0000
143 L A 1.1768
144 C A 0.0000
145 S A -0.0289
146 C A 0.0000
147 P A -0.2916
148 P A -0.2441
149 G A -0.2376
150 Y A -0.3144
151 Q A -1.1552
152 G A -0.9159
153 R A -1.3255
154 S A 0.0000
155 C A 0.0000
156 R A -0.2812
157 S A 0.0000
158 D A -1.7342
159 V A 0.0000
160 D A -1.0134
161 E A -0.6092
162 C A -0.2569
163 R A -1.5083
164 V A 1.3427
165 G A -0.4213
166 E A -1.9622
167 P A -0.6957
168 C A -0.2252
169 R A -1.6906
170 H A -1.3650
171 G A -0.7093
172 G A -0.3993
173 T A -0.1012
174 C A 0.2529
175 L A 0.4678
176 N A 0.0000
177 T A -0.0442
178 P A -0.1851
179 G A -0.5133
180 S A -0.1907
181 F A 0.1132
182 R A -0.5745
183 C A 0.0000
184 Q A -0.1013
185 C A 0.1204
186 P A -0.2098
187 A A -0.0793
188 G A -0.4219
189 Y A 0.0822
190 T A 0.0000
191 G A -0.1028
192 P A 0.0238
193 L A 1.6354
194 C A 0.6801
195 E A -1.9232
196 N A -1.6208
197 P A -0.2626
198 A A -0.0057
199 V A 0.1714
200 P A 0.1194
201 C A 0.7267
202 A A 0.1179
203 P A -0.2540
204 S A -0.0931
205 P A -0.1239
206 C A 0.0000
207 R A -1.2967
208 N A -1.5322
209 G A -0.8507
210 G A -0.3874
211 T A -0.0405
212 C A 0.0501
213 R A -1.9138
214 Q A -1.0632
215 S A -0.2862
216 G A -0.8117
217 D A -1.7224
218 L A 0.4952
219 T A 0.1979
220 Y A -0.0481
221 D A -1.3610
222 C A 0.0200
223 A A 0.2167
224 C A 0.7859
225 L A 0.3418
226 P A -0.2238
227 G A 0.2415
228 F A 1.7605
229 E A -0.5560
230 G A -0.8316
231 Q A -1.5244
232 N A -1.5012
233 C A 0.0000
234 E A 0.0000
235 V A 0.2273
236 N A 0.0000
237 V A 0.4824
238 D A -0.6168
239 D A -1.8623
240 C A 0.0000
241 P A -0.3421
242 G A -0.6135
243 H A -0.9667
244 R A -1.9084
245 C A 0.1429
246 L A 1.3992
247 N A -0.7710
248 G A -0.7411
249 G A -0.5553
250 T A 0.0000
251 C A 0.7980
252 V A 1.1828
253 D A -0.5479
254 G A -0.1949
255 V A 0.7210
256 N A -1.1007
257 T A -0.2404
258 Y A 0.0000
259 N A -1.2730
260 C A 0.0000
261 Q A -1.0797
262 C A 0.0000
263 P A -0.2635
264 P A -0.4309
265 E A -1.6041
266 W A 0.8140
267 T A 0.1169
268 G A -0.6964
269 Q A -1.0399
270 F A 1.0567
271 C A 0.0000
272 T A -0.0565
273 E A -0.4256
274 D A -1.4899
275 V A 1.3454
276 D A -0.2632
277 E A -0.3305
278 C A -0.2195
279 Q A -0.8910
280 L A 1.2202
281 Q A -0.0200
282 P A -0.4140
283 N A -0.6128
284 A A -0.0431
285 C A 0.1139
286 H A -0.7093
287 N A -1.3902
288 G A -0.4468
289 G A -0.1877
290 T A -0.0308
291 C A 0.4878
292 F A 1.9207
293 N A 0.1365
294 T A 0.2135
295 L A 1.4519
296 G A -0.2011
297 G A -0.2344
298 H A 0.0000
299 S A -0.1205
300 C A 0.0000
301 V A 0.2461
302 C A 0.0000
303 V A 0.0000
304 N A 0.0000
305 G A -0.0513
306 W A 0.0000
307 T A -0.0857
308 G A -0.6586
309 E A -1.8984
310 S A -0.4648
311 C A 0.0000
312 S A -0.1371
313 Q A -0.7428
314 N A -1.2216
315 I A 0.2687
316 D A -1.1917
317 D A -0.7615
318 C A 0.0651
319 A A 0.0308
320 T A -0.0687
321 A A 0.0000
322 V A 0.0000
323 C A 0.0000
324 F A 1.8764
325 H A -0.0538
326 G A -0.5300
327 A A -0.1223
328 T A 0.0000
329 C A 0.0000
330 H A -1.1105
331 D A -0.9884
332 R A -1.0109
333 V A 0.4562
334 A A 0.1206
335 S A -0.0950
336 F A 0.3635
337 Y A 0.7272
338 C A 0.0000
339 A A 0.0094
340 C A 0.0000
341 P A 0.0755
342 M A 1.0118
343 G A -0.0394
344 K A -0.9230
345 T A -0.1507
346 G A 0.0959
347 L A 0.8201
348 L A 0.0000
349 C A 0.0000
350 H A 0.0000
351 L A -0.0110
352 D A -1.7062
353 D A -0.5007
354 A A 0.0802
355 C A 0.7659
356 V A 1.3125
357 S A -0.0129
358 N A -0.3162
359 P A -0.1380
360 C A 0.0000
361 H A -0.4525
362 E A -1.9731
363 D A -1.0471
364 A A 0.2681
365 I A 2.0735
366 C A 0.6077
367 D A -0.3501
368 T A -0.1133
369 N A 0.0000
370 P A 0.0000
371 V A 0.1238
372 N A -1.2785
373 G A -1.0069
374 R A -1.9298
375 A A -0.2948
376 I A 0.1776
377 C A 0.0000
378 T A 0.0002
379 C A 0.0757
380 P A -0.0734
381 P A -0.2630
382 G A 0.0000
383 F A 0.0000
384 T A 0.0000
385 G A -0.1508
386 G A -0.4588
387 A A -0.0112
388 C A 0.0538
389 D A 0.0000
390 Q A -0.2262
391 D A 0.0000
392 V A 0.0000
393 D A -0.3911
394 E A -0.9900
395 C A -0.1224
396 S A 0.2883
397 I A 1.6550
398 G A 0.1070
399 A A -0.1778
400 N A -1.0346
401 P A -0.4477
402 C A 0.0000
403 E A 0.0000
404 H A 0.1686
405 L A 1.4348
406 G A -0.1644
407 R A 0.0000
408 C A 0.0000
409 V A 0.4682
410 N A 0.0000
411 T A 0.0000
412 Q A 0.0000
413 G A -0.1546
414 S A -0.0572
415 F A 0.8306
416 L A 1.6927
417 C A 0.0000
418 Q A -1.1813
419 C A -0.2069
420 G A -0.6967
421 R A -1.9996
422 G A -0.7646
423 Y A 0.5993
424 T A 0.0696
425 G A -0.5524
426 P A -0.6627
427 R A -1.9226
428 C A 0.0000
429 E A -0.5455
430 T A -0.4622
431 D A -1.7155
432 V A -0.0885
433 N A -0.7366
434 E A 0.0000
435 C A 0.8367
436 L A 1.6408
437 S A 0.1573
438 G A -0.4835
439 P A -0.1043
440 C A -0.2566
441 R A -2.0566
442 N A -1.7952
443 Q A -1.1828
444 A A -0.1675
445 T A -0.0256
446 C A 0.3447
447 L A 0.9538
448 D A -0.8386
449 R A -0.9991
450 I A 1.2990
451 G A -0.3403
452 Q A -0.7660
453 F A 1.3592
454 T A 0.2731
455 C A 0.0000
456 I A 0.7518
457 C A 0.0000
458 M A 1.0576
459 A A 0.1436
460 G A -0.2118
461 F A 1.9145
462 T A 0.1304
463 G A -0.4794
464 T A 0.1159
465 Y A 1.3058
466 C A 0.0000
467 E A -1.1537
468 V A 0.2349
469 D A -1.0209
470 I A 1.4357
471 D A -1.5345
472 E A -0.7710
473 C A 0.2552
474 Q A -1.1141
475 S A -0.3972
476 S A -0.1828
477 P A -0.2192
478 C A 0.5771
479 V A 1.7966
480 N A 0.0719
481 G A -0.5304
482 G A -0.0737
483 V A 0.9819
484 C A 0.1207
485 K A -1.8221
486 D A -1.5101
487 R A -1.6861
488 V A 1.2325
489 N A -0.6838
490 G A -0.4771
491 F A 0.2104
492 S A -0.0998
493 C A 0.0906
494 T A -0.0139
495 C A 0.1425
496 P A -0.2200
497 S A 0.1340
498 G A 0.0000
499 F A 2.0050
500 S A 0.0000
501 G A -0.5062
502 S A -0.3061
503 T A 0.0683
504 C A 0.4962
505 Q A -0.9685
506 L A 0.4273
507 D A -0.0283
508 V A 1.3915
509 D A -1.3661
510 E A -0.8621
511 C A -0.0047
512 A A 0.0389
513 S A -0.2511
514 T A -0.1099
515 P A -0.2441
516 C A -0.3203
517 R A -2.0709
518 N A -1.6969
519 G A -0.6266
520 A A -0.3821
521 K A -1.6735
522 C A -0.0194
523 V A 0.6561
524 D A -0.7727
525 Q A -0.8189
526 P A -0.4904
527 D A -0.8390
528 G A -0.2475
529 Y A 0.0000
530 E A -1.3403
531 C A -0.3913
532 R A -1.6685
533 C A 0.4002
534 A A -0.1100
535 E A -1.5240
536 G A -0.3282
537 F A 0.4940
538 E A -1.5889
539 G A -0.8076
540 T A 0.2004
541 L A 1.6484
542 C A 0.8141
543 D A -0.4206
544 R A -0.7956
545 N A -0.9807
546 V A 1.4344
547 D A -0.5617
548 D A -1.8979
549 C A 0.0000
550 S A -0.2826
551 P A -0.3131
552 D A 0.0000
553 P A -0.2549
554 C A 0.0000
555 H A -0.6072
556 H A -1.0873
557 G A -0.7204
558 R A -1.8081
559 C A 0.3303
560 V A 1.7077
561 D A -0.2914
562 G A 0.1059
563 I A 2.0002
564 A A 0.4276
565 S A 0.1802
566 F A 0.8128
567 S A 0.3294
568 C A 0.3646
569 A A 0.1151
570 C A 0.0000
571 A A 0.0585
572 P A 0.0000
573 G A 0.0057
574 Y A 1.0225
575 T A 0.0845
576 G A -0.4838
577 T A -0.5145
578 R A -1.8578
579 C A 0.0000
580 E A -0.8063
581 S A -0.2928
582 Q A -0.1790
583 V A 0.9994
584 D A -1.4359
585 E A -0.9440
586 C A 0.0000
587 R A -1.8845
588 S A -0.6586
589 Q A -0.5963
590 P A -0.3378
591 C A -0.3095
592 R A -2.0155
593 H A -1.4265
594 G A -0.6947
595 G A -0.6875
596 K A -1.4789
597 C A 0.2827
598 L A 1.1748
599 D A -0.2382
600 L A 1.0038
601 V A 1.6069
602 D A -1.6444
603 K A -1.1903
604 Y A 0.1248
605 L A 0.7841
606 C A 0.0000
607 R A -1.7534
608 C A -0.3090
609 P A -0.2452
610 S A -0.1898
611 G A -0.4779
612 T A -0.1319
613 T A -0.1219
614 G A 0.0091
615 V A 1.4997
616 N A -0.8293
617 C A 0.0000
618 E A -1.4085
619 V A 1.4272
620 N A 0.5840
621 I A 1.7521
622 D A -1.1798
623 D A -1.8490
624 C A -0.2326
625 A A 0.0651
626 S A 0.0000
627 N A -1.3214
628 P A -0.3802
629 C A 0.5551
630 T A 0.4624
631 F A 1.9116
632 G A 0.6786
633 V A 1.7731
634 C A 0.1144
635 R A -1.8753
636 D A -0.6655
637 G A -0.0687
638 I A 1.7436
639 N A -1.2385
640 R A -1.9294
641 Y A 0.3498
642 D A -0.9304
643 C A 0.0222
644 V A 0.7279
645 C A 0.1439
646 Q A -0.4774
647 P A -0.3831
648 G A -0.3645
649 F A 0.4813
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1954 A A 0.0000
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1971 K A -1.5231
1972 E A -1.9462
1973 E A -1.1523
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
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1980 A A 0.0000
1981 R A -0.9327
1982 E A -1.2454
1983 G A -0.2746
1984 S A 0.0000
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1986 E A -1.6883
1987 A A 0.0000
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1990 L A 0.0000
1991 L A 0.0000
1992 L A 0.0000
1993 D A -0.8177
1994 H A -0.2547
1995 F A 0.0000
1996 A A 0.0000
1997 N A 0.0000
1998 R A 0.0000
1999 E A -0.3211
2000 I A 1.1403
2001 T A 0.0000
2002 D A -1.9754
2003 H A -1.2821
2004 L A -0.2911
2005 D A -2.1003
2006 R A -2.1375
2007 L A -0.1259
2008 P A 0.0000
2009 R A 0.0000
2010 D A -0.3224
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.8293
2014 E A -2.0924
2015 R A -0.9727
2016 L A 1.2378
2017 H A -0.2613
2018 Q A -1.4345
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2278 G A -0.4791
2279 A A 0.0000
2280 M A 0.0000
2281 A A 0.0015
2282 T A 0.0000
2283 T A -0.0760
2284 T A -0.1272
2285 G A -0.4605
2286 A A 0.0949
2287 L A 0.6780
2288 P A 0.0936
2289 A A -0.0382
2290 Q A -0.2919
2291 P A -0.1057
2292 L A 0.0000
2293 P A 0.1627
2294 L A 1.3056
2295 S A 0.4664
2296 V A 1.6848
2297 P A 0.2619
2298 S A -0.2312
2299 S A -0.2403
2300 L A 0.0000
2301 A A 0.0275
2302 Q A 0.0000
2303 A A 0.0000
2304 Q A 0.0000
2305 T A 0.0000
2306 Q A -1.1473
2307 L A 0.0386
2308 G A -0.1306
2309 P A -0.4387
2310 Q A -0.9086
2311 P A -0.5390
2312 E A -0.3532
2313 V A 1.6367
2314 T A 0.2334
2315 P A -0.3401
2316 K A -1.1164
2317 R A -0.4225
2318 Q A 0.0274
2319 V A 1.6024
2320 L A 1.5338
2321 A A 0.2953
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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, -0.2033 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_0 -0.2033 View CSV PDB
model_1 -0.2137 View CSV PDB
model_8 -0.2219 View CSV PDB
model_3 -0.2252 View CSV PDB
model_6 -0.2256 View CSV PDB
model_9 -0.2262 View CSV PDB
model_2 -0.2283 View CSV PDB
CABS_average -0.2302 View CSV PDB
model_7 -0.2322 View CSV PDB
model_10 -0.2387 View CSV PDB
model_4 -0.2395 View CSV PDB
model_5 -0.244 View CSV PDB
model_11 -0.2633 View CSV PDB
input -0.2811 View CSV PDB