Project name: RSV_origin

Status: done

Started: 2025-12-13 09:39:32
Chain sequence(s) A: MELPILKANAITTILAAVTFCFASSQNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAANNRARRELPRFMNYTLNNTKKTNVTLSKKRKRRFLGFLLGVGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH
C: MELPILKANAITTILAAVTFCFASSQNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAANNRARRELPRFMNYTLNNTKKTNVTLSKKRKRRFLGFLLGVGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH
B: MELPILKANAITTILAAVTFCFASSQNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAANNRARRELPRFMNYTLNNTKKTNVTLSKKRKRRFLGFLLGVGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH
input PDB
Selected Chain(s) A,C,B
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]                                                (00:00:12)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:12)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:12)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:12)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:13)
[INFO]       CABS:     Running CABS flex simulation                                                (00:43:04)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (10:10:44)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (10:11:21)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (10:11:58)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (10:12:34)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (10:13:11)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (10:13:48)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (10:14:25)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (10:15:02)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (10:15:39)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (10:16:16)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (10:16:52)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (10:17:29)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (10:18:06)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (10:19:19)
[INFO]       Main:     Simulation completed successfully.                                          (10:19:51)
Show buried residues

Minimal score value
-3.079
Maximal score value
2.7403
Average score
-0.3632
Total score value
-560.0954

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 0.0814
2 E A -1.5312
3 L A 0.0000
4 P A -1.0903
5 I A -1.1424
6 L A -1.2656
7 K A -2.2050
8 A A -1.6189
9 N A -1.7847
10 A A -0.6921
11 I A 1.0368
12 T A 0.6304
13 T A 0.7719
14 I A 1.7879
15 L A 0.8542
16 A A 0.8242
17 A A 0.6205
18 V A 0.6243
19 T A 0.5662
20 F A 0.4138
21 C A 0.4895
22 F A 0.2792
23 A A 0.0636
24 S A -0.4691
25 S A -0.8555
26 Q A -1.1720
27 N A -1.8795
28 I A 0.0000
29 T A -1.1991
30 E A 0.0000
31 E A 0.1557
32 F A 0.0000
33 Y A 0.3442
34 Q A 0.0000
35 S A -0.3865
36 T A 0.0000
37 C A 0.0000
38 S A 0.0000
39 A A 0.0000
40 V A 0.0000
41 S A 0.0000
42 K A -0.8303
43 G A -0.6819
44 Y A 0.0000
45 L A -0.2818
46 S A 0.0000
47 A A 0.0000
48 L A 0.0000
49 R A 0.0000
50 T A 0.0000
51 G A 0.0000
52 W A 0.0000
53 Y A 0.0000
54 T A 0.0000
55 S A 0.0000
56 V A 0.0000
57 I A 0.0000
58 T A 0.0000
59 I A 0.0000
60 E A -0.2802
61 L A 0.0000
62 S A 0.0000
63 N A 0.0000
64 I A 0.0000
65 K A -2.1426
66 E A -2.7303
67 N A 0.0000
68 K A -1.1350
69 C A 0.0000
70 N A -0.0850
71 G A 0.0000
72 T A -0.7943
73 D A -1.7021
74 A A -1.0746
75 K A -1.0973
76 V A 0.0000
77 K A -1.3747
78 L A 0.0000
79 I A 0.0000
80 K A -0.9040
81 Q A -1.0149
82 E A 0.0000
83 L A 0.0000
84 D A -1.3620
85 K A 0.0000
86 Y A 0.0000
87 K A -1.2265
88 N A -0.7714
89 A A 0.0000
90 V A 0.0000
91 T A -0.2614
92 E A 0.0000
93 L A 0.0000
94 Q A 0.0628
95 L A 0.5243
96 L A 0.0000
97 M A 0.1249
98 Q A -0.1101
99 S A -0.0594
100 T A -0.2511
101 P A -0.4830
102 A A -0.7078
103 A A -1.2253
104 N A -2.3597
105 N A -2.9240
106 R A -3.0481
107 A A -2.5986
108 R A -2.8035
109 R A -3.0615
110 E A -3.0396
111 L A -1.9159
112 P A -1.3573
113 R A -2.0523
114 F A -0.8108
115 M A 0.0000
116 N A -1.1437
117 Y A 0.0000
118 T A -0.4753
119 L A 0.0000
120 N A -0.7338
121 N A -1.3172
122 T A -1.0193
123 K A -1.7740
124 K A -2.4861
125 T A 0.0000
126 N A -1.3652
127 V A 0.0000
128 T A 0.0000
129 L A 0.0000
130 S A 0.0000
131 K A 0.0000
132 K A 0.0000
133 R A 0.0000
134 K A -0.8295
135 R A -0.5330
136 R A 0.0000
137 F A 0.0000
138 L A 0.0000
139 G A 0.0000
140 F A 0.0000
141 L A 0.0000
142 L A 0.0000
143 G A -0.1094
144 V A 0.0091
145 G A -0.2569
146 S A -0.3348
147 A A 0.0720
148 I A 0.3003
149 A A 0.0000
150 S A 0.0000
151 G A 0.0000
152 I A 0.4788
153 A A 0.0000
154 V A 0.0000
155 S A -0.0278
156 K A -0.4163
157 V A -0.0764
158 L A 0.0000
159 H A -0.5483
160 L A -0.5792
161 E A -1.4587
162 G A -1.6547
163 E A -1.7202
164 V A 0.0000
165 N A -2.4875
166 K A -2.3240
167 I A 0.0000
168 K A -1.0612
169 S A -0.9521
170 A A -0.3943
171 L A 0.0000
172 L A 0.5894
173 S A -0.1298
174 T A -0.6041
175 N A -1.5648
176 K A -1.7632
177 A A -0.0077
178 V A 1.4297
179 V A 0.0000
180 S A 0.0173
181 L A -0.1366
182 S A -0.3872
183 N A 0.0000
184 G A -1.2393
185 V A 0.0000
186 S A 0.3178
187 V A 0.0000
188 L A 0.3602
189 T A 0.0000
190 S A 0.0000
191 K A 0.0000
192 V A -0.1243
193 L A 0.0000
194 D A -0.3831
195 L A 0.0000
196 K A -0.9299
197 N A -1.2065
198 Y A -0.6777
199 I A 0.0000
200 D A -1.8599
201 K A -1.6330
202 Q A -1.0657
203 L A 0.0000
204 L A -1.2012
205 P A -1.3933
206 I A -1.0470
207 V A 0.0000
208 N A -1.9541
209 K A -2.4846
210 Q A -1.9783
211 S A -1.3338
212 C A 0.0000
213 S A -1.2224
214 I A 0.0000
215 S A -0.5303
216 N A -0.4771
217 I A 0.0000
218 E A 0.0000
219 T A 0.0000
220 V A 0.0000
221 I A 0.0000
222 E A 0.0000
223 F A 0.0000
224 Q A -0.3395
225 Q A -0.3989
226 K A 0.0000
227 N A 0.0000
228 N A -0.6602
229 R A -0.5588
230 L A 0.0000
231 L A -0.4110
232 E A -0.5973
233 I A 0.0000
234 T A 0.0000
235 R A -0.5387
236 E A -0.3915
237 F A 0.0000
238 S A 0.0000
239 V A 0.0057
240 N A -0.1258
241 A A 0.1627
242 G A 0.0000
243 V A 0.7584
244 T A 0.0000
245 T A 0.1191
246 P A 0.0082
247 V A 0.0000
248 S A 0.0000
249 T A 0.0000
250 Y A 0.0000
251 M A 0.0000
252 L A 0.0000
253 T A -0.1341
254 N A 0.0000
255 S A -0.3091
256 E A -0.2971
257 L A 0.0000
258 L A -0.2134
259 S A -0.8165
260 L A -0.7723
261 I A 0.0000
262 N A -2.5729
263 D A -2.6054
264 M A 0.0000
265 P A -1.2342
266 I A 0.0000
267 T A -1.6814
268 N A -2.6449
269 D A -2.3151
270 Q A 0.0000
271 K A -2.3701
272 K A -2.6678
273 L A 0.0000
274 M A 0.0000
275 S A -0.8606
276 N A -0.5031
277 N A 0.0000
278 V A 0.0000
279 Q A 0.0000
280 I A 0.0000
281 V A 0.0000
282 R A 0.0000
283 Q A -0.2830
284 Q A -0.2080
285 S A 0.0000
286 Y A 0.4398
287 S A 0.0000
288 I A 0.0000
289 M A 0.2829
290 S A 0.0000
291 I A 0.0000
292 I A 0.0000
293 K A 0.0000
294 E A -0.3082
295 E A -0.1662
296 V A 0.0000
297 L A 0.0000
298 A A 0.0000
299 Y A 0.0000
300 V A 0.0000
301 V A 0.0000
302 Q A 0.0000
303 L A 0.0000
304 P A 0.0000
305 L A 0.0000
306 Y A 0.0000
307 G A 0.0000
308 V A 0.0000
309 I A 0.0000
310 D A -1.4425
311 T A 0.0000
312 P A -0.5527
313 C A 0.0000
314 W A -0.2231
315 K A 0.0000
316 L A 0.0000
317 H A 0.0000
318 T A 0.0000
319 S A 0.0000
320 P A 0.0000
321 L A 0.0000
322 C A 0.0000
323 T A 0.0000
324 T A -0.8025
325 N A -1.1091
326 T A -1.2208
327 K A -1.9465
328 E A 0.0000
329 G A 0.0000
330 S A -0.7894
331 N A 0.0000
332 I A -0.2103
333 C A 0.0000
334 L A 0.0000
335 T A 0.0000
336 R A 0.0000
337 T A 0.0000
338 D A 0.0000
339 R A 0.0000
340 G A 0.0000
341 W A 0.0000
342 Y A 0.0000
343 C A 0.0000
344 D A -0.9787
345 N A -0.8937
346 A A -0.6816
347 G A -0.9334
348 S A 0.0000
349 V A 0.0000
350 S A 0.0000
351 F A 0.0000
352 F A 0.0000
353 P A 0.0000
354 Q A -0.8594
355 A A -0.8663
356 E A -1.6209
357 T A -0.9621
358 C A 0.0000
359 K A -0.4690
360 V A 0.2726
361 Q A 0.0226
362 S A -0.1866
363 N A 0.0000
364 R A 0.0000
365 V A 0.0000
366 F A 0.0000
367 C A 0.0000
368 D A 0.0000
369 T A 0.0000
370 M A -0.0108
371 N A -0.2369
372 S A 0.0000
373 L A 0.0000
374 T A 0.0000
375 L A 0.0000
376 P A -0.9001
377 S A -0.8386
378 E A 0.0000
379 V A 0.0000
380 N A -0.9308
381 L A -0.1660
382 C A 0.0000
383 N A 0.3457
384 V A 1.5233
385 D A 0.0000
386 I A 1.2104
387 F A 1.2341
388 N A 0.4044
389 P A -0.3136
390 K A -1.6084
391 Y A 0.0000
392 D A 0.0000
393 C A 0.0000
394 K A 0.0000
395 I A 0.0000
396 M A 0.0000
397 T A 0.0000
398 S A 0.0000
399 K A 0.0000
400 T A 0.0000
401 D A 0.0000
402 V A 0.0000
403 S A 0.0000
404 S A 0.0000
405 S A 0.0000
406 V A 0.0000
407 I A 0.0000
408 T A 0.0000
409 S A 0.0000
410 L A 0.0000
411 G A 0.0000
412 A A 0.0000
413 I A 0.0000
414 V A 0.0000
415 S A 0.0000
416 C A 0.0000
417 Y A 0.0000
418 G A -1.0799
419 K A -1.8973
420 T A 0.0000
421 K A -1.5214
422 C A 0.0000
423 T A 0.0000
424 A A 0.0000
425 S A 0.0000
426 N A -1.2804
427 K A -1.7533
428 N A -2.0881
429 R A -2.2562
430 G A -0.5005
431 I A 1.5305
432 I A 1.7202
433 K A 0.1425
434 T A 0.0677
435 F A -0.4101
436 S A -0.8661
437 N A -1.0835
438 G A -0.8159
439 C A 0.0000
440 D A -0.8813
441 Y A 0.0000
442 V A 0.0000
443 S A -1.3336
444 N A -2.0017
445 K A -1.4855
446 G A -0.6778
447 V A 0.0000
448 D A -1.2047
449 T A 0.0000
450 V A 0.0000
451 S A 0.0000
452 V A 0.0000
453 G A 0.0000
454 N A 0.0000
455 T A 0.0000
456 L A 0.0000
457 Y A 0.0000
458 Y A 0.0000
459 V A 0.0000
460 N A -0.6814
461 K A -1.4986
462 Q A -1.8138
463 E A -2.9788
464 G A -2.5313
465 K A -2.4342
466 S A -0.5070
467 L A 1.3552
468 Y A 1.1550
469 V A 0.5204
470 K A -1.5358
471 G A -1.7750
472 E A -2.3672
473 P A -1.0064
474 I A 0.2555
475 I A 0.3181
476 N A -0.6438
477 F A 0.1866
478 Y A 0.3694
479 D A -0.0905
480 P A 0.5797
481 L A 1.2469
482 V A 0.6241
483 F A 0.0000
484 P A 0.0000
485 S A 0.0000
486 D A 0.0000
487 E A 0.0000
488 F A 0.0000
489 D A 0.0000
490 A A 0.0000
491 S A 0.0000
492 I A 0.0000
493 S A -1.3695
494 Q A -1.2726
495 V A -0.7228
496 N A -1.4455
497 E A -2.3788
498 K A 0.0000
499 I A -0.6540
500 N A -1.3663
501 Q A -0.6983
502 S A 0.0000
503 L A 0.5938
504 A A -0.0981
505 F A -0.1705
506 I A -0.1652
507 R A -2.1577
508 K A -1.5481
509 S A -1.2800
510 D A -2.6587
511 E A -2.5068
512 L A -0.7297
513 L A 0.2333
514 H A -0.8458
1 M B 0.4907
2 E B -0.7254
3 L B 1.2099
4 P B 0.0000
5 I B 2.2939
6 L B 1.5600
7 K B -0.0503
8 A B 0.0000
9 N B 0.0000
10 A B -0.5448
11 I B 0.0000
12 T B -0.0017
13 T B 0.1128
14 I B 0.0000
15 L B 1.2258
16 A B 0.7357
17 A B 0.4181
18 V B 0.4647
19 T B 0.2362
20 F B 0.0000
21 C B 0.6338
22 F B 0.3623
23 A B 0.0955
24 S B -0.3035
25 S B -0.7718
26 Q B -1.0083
27 N B -1.1922
28 I B 0.0000
29 T B -0.9255
30 E B 0.0000
31 E B 0.4647
32 F B 0.7579
33 Y B 0.0000
34 Q B -1.0049
35 S B -1.2013
36 T B 0.0000
37 C B 0.0000
38 S B 0.0000
39 A B 0.0000
40 V B 0.0000
41 S B 0.0000
42 K B -0.8148
43 G B -0.2006
44 Y B -0.2775
45 L B 0.0000
46 S B 0.0000
47 A B 0.0000
48 L B 0.0000
49 R B -0.2083
50 T B 0.0000
51 G B 0.0000
52 W B 0.0000
53 Y B 0.0000
54 T B 0.0000
55 S B 0.0000
56 V B 0.0000
57 I B 0.0000
58 T B -0.4174
59 I B 0.0000
60 E B -1.1965
61 L B 0.0000
62 S B -1.4352
63 N B 0.0000
64 I B 0.0000
65 K B -2.4513
66 E B -2.2266
67 N B -2.3306
68 K B -1.8430
69 C B -1.4404
70 N B -1.8897
71 G B -1.0620
72 T B -0.6066
73 D B -0.7514
74 A B 0.0000
75 K B -0.5078
76 V B 0.0000
77 K B 0.0000
78 L B 0.0000
79 I B 0.0000
80 K B 0.0000
81 Q B 0.0000
82 E B 0.0000
83 L B 0.0000
84 D B 0.0000
85 K B -0.3527
86 Y B 0.0000
87 K B -1.0330
88 N B 0.0000
89 A B 0.0000
90 V B 0.0000
91 T B 0.0000
92 E B 0.0000
93 L B 0.0000
94 Q B 0.1354
95 L B 0.0000
96 L B 0.0000
97 M B 0.0000
98 Q B 0.0000
99 S B 0.0000
100 T B 0.0000
101 P B 0.0000
102 A B -0.0391
103 A B -0.7949
104 N B -1.4060
105 N B -2.3493
106 R B -2.6272
107 A B -1.6772
108 R B -1.6484
109 R B -1.1530
110 E B -0.6430
111 L B -0.0402
112 P B -0.4204
113 R B -0.1763
114 F B 0.7252
115 M B 0.0000
116 N B -0.9693
117 Y B 0.0000
118 T B 0.0000
119 L B 0.2555
120 N B -0.5400
121 N B -1.4966
122 T B -2.0818
123 K B -2.7272
124 K B -2.8347
125 T B 0.0000
126 N B 0.0000
127 V B 0.0000
128 T B 0.0000
129 L B 0.0000
130 S B 0.0000
131 K B 0.0000
132 K B 0.0000
133 R B 0.0000
134 K B -0.8771
135 R B -1.0258
136 R B 0.0000
137 F B 0.0000
138 L B 0.0000
139 G B 0.0000
140 F B 0.0000
141 L B 0.0000
142 L B 0.0000
143 G B 0.0000
144 V B 0.4035
145 G B 0.1596
146 S B -0.0061
147 A B -0.0110
148 I B 0.0000
149 A B 0.0700
150 S B 0.0000
151 G B 0.0000
152 I B 0.5341
153 A B 0.0000
154 V B 0.0000
155 S B 0.0000
156 K B -0.4520
157 V B 0.0000
158 L B 0.0000
159 H B -0.5036
160 L B 0.3003
161 E B -1.8381
162 G B -1.3222
163 E B 0.0000
164 V B 0.0000
165 N B -2.3576
166 K B -1.6643
167 I B 0.0000
168 K B -1.2189
169 S B -0.5261
170 A B 0.0000
171 L B 0.1791
172 L B 1.2778
173 S B 0.2813
174 T B -0.1935
175 N B -0.9070
176 K B -1.5495
177 A B -0.0130
178 V B 1.5991
179 V B 0.5665
180 S B 0.0234
181 L B 0.0000
182 S B -0.7898
183 N B -1.1387
184 G B -1.2725
185 V B 0.0000
186 S B 0.0188
187 V B 0.0000
188 L B 0.0000
189 T B 0.0000
190 S B 0.0000
191 K B -1.0993
192 V B 0.0000
193 L B 0.0000
194 D B -1.1905
195 L B 0.0000
196 K B -1.7859
197 N B -2.1773
198 Y B 0.0000
199 I B -1.6005
200 D B -2.6211
201 K B -2.2871
202 Q B -1.6628
203 L B 0.0000
204 L B -1.4851
205 P B -1.7203
206 I B 0.0000
207 V B 0.0000
208 N B -2.5165
209 K B -2.7879
210 Q B -2.4462
211 S B 0.0000
212 C B -0.1490
213 S B -0.1854
214 I B 0.0000
215 S B -0.3070
216 N B -0.4682
217 I B 0.0000
218 E B 0.0000
219 T B 0.0000
220 V B 0.0000
221 I B 0.0000
222 E B -0.6840
223 F B 0.0000
224 Q B -0.5799
225 Q B -0.6704
226 K B 0.0000
227 N B 0.0000
228 N B -0.7699
229 R B -0.6608
230 L B 0.0000
231 L B 0.0000
232 E B 0.0000
233 I B 0.0000
234 T B 0.0000
235 R B -1.1372
236 E B -0.5310
237 F B 0.0000
238 S B 0.0000
239 V B 0.0744
240 N B 0.0797
241 A B 0.4686
242 G B 0.4474
243 V B 1.2011
244 T B 0.0000
245 T B 0.2649
246 P B 0.0164
247 V B 0.0000
248 S B 0.0000
249 T B -0.0548
250 Y B 0.0274
251 M B 0.0000
252 L B 0.0000
253 T B -0.0387
254 N B 0.0000
255 S B -0.1821
256 E B -0.6313
257 L B -0.0786
258 L B -0.3160
259 S B -0.5682
260 L B 0.0000
261 I B 0.0000
262 N B -1.3932
263 D B 0.0000
264 M B 0.6156
265 P B 0.0829
266 I B 0.0000
267 T B -1.7295
268 N B -2.6931
269 D B -3.0790
270 Q B 0.0000
271 K B -2.1177
272 K B -2.8350
273 L B -1.4770
274 M B 0.0000
275 S B -0.9360
276 N B -0.6222
277 N B 0.0000
278 V B 0.0000
279 Q B 0.0000
280 I B 0.0000
281 V B 0.0000
282 R B 0.0000
283 Q B -0.6024
284 Q B -0.4049
285 S B 0.0000
286 Y B 0.9657
287 S B 0.0000
288 I B 0.0000
289 M B 0.0000
290 S B 0.0000
291 I B -0.4175
292 I B -0.9956
293 K B -2.2792
294 E B -2.5939
295 E B -2.0212
296 V B 0.0000
297 L B 0.0000
298 A B 0.0000
299 Y B 0.0000
300 V B 0.0000
301 V B 0.0000
302 Q B 0.0000
303 L B 0.2269
304 P B 0.0000
305 L B 0.0000
306 Y B 0.0000
307 G B 0.0000
308 V B 0.0000
309 I B 0.0000
310 D B -1.9584
311 T B 0.0000
312 P B -0.8558
313 C B 0.0000
314 W B -0.2106
315 K B -0.2700
316 L B 0.0000
317 H B 0.0000
318 T B 0.0000
319 S B 0.0000
320 P B 0.0000
321 L B 0.0235
322 C B 0.0000
323 T B -0.4618
324 T B 0.0000
325 N B 0.0000
326 T B 0.0000
327 K B -3.0029
328 E B -2.8329
329 G B -1.7394
330 S B -1.2500
331 N B 0.0000
332 I B 0.0000
333 C B 0.0000
334 L B 0.0000
335 T B 0.0000
336 R B 0.0000
337 T B 0.0000
338 D B -0.3522
339 R B -0.3107
340 G B 0.0000
341 W B 0.0000
342 Y B 0.0000
343 C B 0.0000
344 D B -0.4509
345 N B -0.8856
346 A B -1.0227
347 G B -0.8852
348 S B 0.0000
349 V B 0.0000
350 S B 0.0000
351 F B 0.0000
352 F B 0.0000
353 P B 0.0000
354 Q B 0.0000
355 A B 0.0000
356 E B -1.7672
357 T B -0.9147
358 C B 0.0000
359 K B -0.2084
360 V B 1.0377
361 Q B 0.3914
362 S B -0.1219
363 N B -0.2684
364 R B 0.0000
365 V B 0.0000
366 F B 0.0000
367 C B 0.0000
368 D B -0.3001
369 T B 0.0000
370 M B 0.2579
371 N B 0.0352
372 S B 0.0000
373 L B 0.0000
374 T B 0.0000
375 L B 0.0000
376 P B -1.0029
377 S B -0.6050
378 E B 0.0000
379 V B 0.0000
380 N B -0.3592
381 L B 0.2990
382 C B 0.0000
383 N B -0.0283
384 V B 0.0447
385 D B -1.1707
386 I B 0.8970
387 F B 1.5473
388 N B 0.0520
389 P B -0.9406
390 K B -1.9154
391 Y B 0.0000
392 D B -0.8236
393 C B 0.0000
394 K B 0.0000
395 I B 0.0000
396 M B 0.0000
397 T B 0.0000
398 S B 0.0000
399 K B 0.0000
400 T B 0.0000
401 D B 0.0000
402 V B 0.0000
403 S B 0.0000
404 S B 0.0000
405 S B 0.0000
406 V B 0.0000
407 I B 0.0000
408 T B 0.0000
409 S B -0.7295
410 L B 0.0000
411 G B 0.0000
412 A B 0.0000
413 I B 0.0000
414 V B 0.0000
415 S B 0.0000
416 C B 0.0000
417 Y B -0.6393
418 G B -1.0946
419 K B -1.6620
420 T B 0.0000
421 K B -1.0663
422 C B 0.0000
423 T B 0.0000
424 A B 0.0000
425 S B 0.0000
426 N B -0.8841
427 K B -1.4917
428 N B -2.3489
429 R B -2.1007
430 G B -0.5723
431 I B 1.4346
432 I B 1.7133
433 K B -0.2640
434 T B -0.1868
435 F B -0.1786
436 S B -0.5965
437 N B -0.6857
438 G B -0.4194
439 C B -0.2532
440 D B -0.2995
441 Y B 0.0000
442 V B 0.1904
443 S B -0.2483
444 N B -1.7619
445 K B -2.4409
446 G B -0.7727
447 V B 0.0000
448 D B 0.0000
449 T B 0.0000
450 V B 0.0000
451 S B 0.0000
452 V B 0.0000
453 G B 0.0000
454 N B 0.0000
455 T B 0.0000
456 L B 0.0000
457 Y B 0.0000
458 Y B 0.0000
459 V B 0.0000
460 N B 0.0000
461 K B -1.1886
462 Q B -2.0193
463 E B -2.5148
464 G B -2.0429
465 K B -2.2059
466 S B -0.0656
467 L B 1.8772
468 Y B 1.8143
469 V B 0.2199
470 K B -1.7548
471 G B -1.1972
472 E B -0.4137
473 P B -0.1582
474 I B 0.0000
475 I B -0.2739
476 N B -0.7817
477 F B 0.8186
478 Y B 0.0000
479 D B -1.5728
480 P B -0.8914
481 L B -0.4631
482 V B 0.0000
483 F B 0.0000
484 P B 0.0762
485 S B 0.0000
486 D B 0.0000
487 E B 0.0000
488 F B 0.0000
489 D B 0.0000
490 A B 0.0000
491 S B 0.0000
492 I B 0.0000
493 S B -0.7576
494 Q B 0.0000
495 V B 0.0000
496 N B -0.7219
497 E B -1.1712
498 K B -0.7439
499 I B 0.0000
500 N B -1.3365
501 Q B -0.9991
502 S B -0.6087
503 L B -0.8160
504 A B -1.2433
505 F B 0.0000
506 I B -1.3696
507 R B -2.9130
508 K B -2.2506
509 S B 0.0000
510 D B -2.8357
511 E B -2.6902
512 L B -0.3122
513 L B -0.4174
514 H B -1.4306
1 M C 0.8317
2 E C -0.0566
3 L C 0.1604
4 P C -0.0312
5 I C -0.0658
6 L C 0.0000
7 K C 0.0000
8 A C -0.3299
9 N C -1.0683
10 A C 0.0224
11 I C 1.2081
12 T C 0.4125
13 T C 0.5176
14 I C 0.0000
15 L C 1.3174
16 A C 0.7041
17 A C 0.0000
18 V C 2.5635
19 T C 1.8791
20 F C 2.7403
21 C C 1.5825
22 F C 0.7666
23 A C 0.2803
24 S C -0.2302
25 S C -0.8886
26 Q C -1.0094
27 N C -2.1256
28 I C 0.0000
29 T C -1.2063
30 E C 0.0000
31 E C 0.3075
32 F C 0.0000
33 Y C 0.0000
34 Q C -0.6782
35 S C -0.5773
36 T C 0.0000
37 C C 0.0000
38 S C 0.0000
39 A C 0.0000
40 V C 0.0000
41 S C 0.0000
42 K C -1.2374
43 G C -1.0245
44 Y C 0.0000
45 L C -0.5465
46 S C 0.0000
47 A C 0.0000
48 L C 0.0000
49 R C -0.2942
50 T C 0.0000
51 G C 0.0624
52 W C 0.2372
53 Y C 0.0000
54 T C 0.0000
55 S C 0.0000
56 V C 0.0000
57 I C 0.0000
58 T C 0.0000
59 I C 0.0000
60 E C 0.0000
61 L C 0.0000
62 S C 0.0000
63 N C 0.0000
64 I C 0.0000
65 K C -0.5337
66 E C -0.8336
67 N C 0.0000
68 K C -1.3616
69 C C 0.0000
70 N C -1.8108
71 G C -1.4931
72 T C -1.5165
73 D C -2.2335
74 A C -1.2890
75 K C -1.1790
76 V C 0.0000
77 K C -1.2929
78 L C 0.0000
79 I C 0.0000
80 K C -1.3253
81 Q C -0.7606
82 E C 0.0000
83 L C 0.0000
84 D C -0.8441
85 K C -0.6744
86 Y C 0.0000
87 K C 0.0000
88 N C -0.2991
89 A C 0.0000
90 V C 0.0000
91 T C 0.2504
92 E C 0.0000
93 L C 0.0000
94 Q C 0.0000
95 L C 0.5360
96 L C 0.0000
97 M C 0.0000
98 Q C 0.0000
99 S C -0.2099
100 T C 0.1959
101 P C -0.2040
102 A C -0.4980
103 A C -0.4076
104 N C -1.2631
105 N C -1.8552
106 R C -1.9099
107 A C -1.6229
108 R C -2.2517
109 R C -3.0626
110 E C -2.8163
111 L C -1.2719
112 P C -1.0485
113 R C -0.9779
114 F C 0.0026
115 M C 0.0000
116 N C -0.7454
117 Y C 0.1117
118 T C -0.1332
119 L C -0.1988
120 N C -0.3492
121 N C -0.7342
122 T C -0.9265
123 K C -1.6755
124 K C -2.3130
125 T C 0.0000
126 N C -1.6423
127 V C 0.0000
128 T C 0.0000
129 L C 0.0000
130 S C 0.0000
131 K C 0.0000
132 K C 0.0000
133 R C 0.0000
134 K C -1.0994
135 R C -1.1556
136 R C 0.0000
137 F C 0.0000
138 L C 0.0000
139 G C 0.0000
140 F C 0.0000
141 L C 0.0000
142 L C 0.0000
143 G C 0.0000
144 V C 0.0000
145 G C -0.3808
146 S C -0.3624
147 A C -0.0629
148 I C 0.0000
149 A C 0.2192
150 S C 0.0000
151 G C 0.0000
152 I C 0.8549
153 A C 0.0000
154 V C 0.0000
155 S C 0.1180
156 K C -0.3684
157 V C 0.0000
158 L C 0.0000
159 H C -1.1174
160 L C 0.0000
161 E C -2.3299
162 G C -2.2706
163 E C -2.0508
164 V C 0.0000
165 N C -2.2691
166 K C -2.3247
167 I C 0.0000
168 K C -0.9625
169 S C -0.6641
170 A C -0.4858
171 L C 0.0000
172 L C 0.5856
173 S C -0.1094
174 T C -0.6931
175 N C -1.7845
176 K C -1.7749
177 A C -0.1330
178 V C 1.4609
179 V C 0.0000
180 S C -0.2118
181 L C 0.0000
182 S C -0.7796
183 N C -1.0700
184 G C -1.2778
185 V C 0.0000
186 S C 0.2510
187 V C 0.0000
188 L C 0.8315
189 T C 0.0000
190 S C -0.6630
191 K C -0.8039
192 V C 0.0000
193 L C -0.0129
194 D C -0.6180
195 L C 0.0000
196 K C -1.4352
197 N C -1.4764
198 Y C -0.8953
199 I C 0.0000
200 D C -2.2712
201 K C -1.2414
202 Q C 0.0000
203 L C 0.0000
204 L C 0.0000
205 P C -1.4810
206 I C -1.2081
207 V C 0.0000
208 N C -1.9633
209 K C -2.3513
210 Q C -1.7684
211 S C -1.6480
212 C C 0.0000
213 S C -1.2521
214 I C 0.0000
215 S C -0.4301
216 N C -0.5334
217 I C 0.0000
218 E C -0.3779
219 T C 0.0000
220 V C 0.0000
221 I C 0.0196
222 E C 0.0000
223 F C 0.0000
224 Q C -0.4254
225 Q C 0.0000
226 K C 0.0000
227 N C 0.0000
228 N C -1.2938
229 R C -0.8311
230 L C 0.0000
231 L C 0.0000
232 E C -0.9222
233 I C 0.0000
234 T C 0.0000
235 R C -0.7154
236 E C -0.4864
237 F C 0.0000
238 S C 0.0000
239 V C -0.0215
240 N C -0.1217
241 A C 0.0804
242 G C 0.2543
243 V C 0.6299
244 T C 0.0000
245 T C 0.0430
246 P C -0.0713
247 V C 0.0000
248 S C -0.1611
249 T C 0.0000
250 Y C -0.0740
251 M C 0.0000
252 L C 0.0000
253 T C 0.0000
254 N C 0.0000
255 S C 0.0000
256 E C -0.0716
257 L C 0.0000
258 L C 0.0000
259 S C -0.6330
260 L C -0.9271
261 I C 0.0000
262 N C -2.3222
263 D C -2.3769
264 M C 0.0000
265 P C -1.2091
266 I C 0.0000
267 T C -1.0532
268 N C -1.7553
269 D C 0.0000
270 Q C 0.0000
271 K C -1.6350
272 K C -0.9450
273 L C 0.0000
274 M C 0.0000
275 S C 0.0000
276 N C 0.0000
277 N C 0.0000
278 V C 0.0000
279 Q C 0.0000
280 I C 0.0000
281 V C 0.0000
282 R C 0.0000
283 Q C -0.4682
284 Q C -0.5223
285 S C 0.0000
286 Y C 0.4766
287 S C 0.0000
288 I C 0.7326
289 M C 0.0000
290 S C 0.0000
291 I C 0.0000
292 I C 0.0000
293 K C -1.2185
294 E C -1.2560
295 E C -1.2781
296 V C 0.0000
297 L C 0.0000
298 A C 0.0000
299 Y C 0.0000
300 V C 0.0000
301 V C 0.0000
302 Q C 0.2226
303 L C 0.0000
304 P C 0.0000
305 L C 0.0000
306 Y C 0.0000
307 G C 0.0000
308 V C 0.0000
309 I C 0.0000
310 D C 0.0000
311 T C 0.0000
312 P C -0.4192
313 C C 0.0000
314 W C -0.3867
315 K C 0.0000
316 L C 0.0000
317 H C 0.0000
318 T C 0.0000
319 S C 0.0000
320 P C 0.0000
321 L C 0.0000
322 C C 0.0044
323 T C -0.0571
324 T C -0.4740
325 N C -0.7696
326 T C -0.7864
327 K C -1.2914
328 E C -2.1309
329 G C -1.6531
330 S C 0.0000
331 N C -0.9063
332 I C 0.0000
333 C C 0.0000
334 L C 0.0000
335 T C 0.0000
336 R C 0.0000
337 T C 0.0000
338 D C 0.0000
339 R C -0.5100
340 G C 0.0000
341 W C 0.0000
342 Y C 0.0000
343 C C 0.0000
344 D C -0.6043
345 N C -0.7729
346 A C -0.5902
347 G C -1.0517
348 S C 0.0000
349 V C 0.0000
350 S C 0.0000
351 F C 0.0000
352 F C 0.0000
353 P C 0.0000
354 Q C -1.0234
355 A C -0.8556
356 E C -1.7171
357 T C -0.8180
358 C C -0.1710
359 K C 0.3502
360 V C 1.4228
361 Q C 0.0000
362 S C -0.0270
363 N C -0.5040
364 R C 0.0000
365 V C 0.0000
366 F C 0.0000
367 C C 0.0000
368 D C 0.0000
369 T C 0.0000
370 M C -0.0779
371 N C -0.2080
372 S C 0.0000
373 L C 0.0000
374 T C 0.0000
375 L C 0.0000
376 P C -0.4529
377 S C -0.2944
378 E C 0.0000
379 V C 0.0000
380 N C -0.0153
381 L C 0.4323
382 C C 0.0000
383 N C 0.0000
384 V C 0.6948
385 D C 0.0770
386 I C 1.5675
387 F C 0.0000
388 N C -0.1557
389 P C -0.8097
390 K C -1.7127
391 Y C -0.4134
392 D C 0.0000
393 C C 0.0000
394 K C 0.0000
395 I C 0.0000
396 M C 0.0000
397 T C 0.0000
398 S C 0.0000
399 K C 0.0000
400 T C 0.0000
401 D C 0.0000
402 V C 0.0000
403 S C 0.0000
404 S C 0.0000
405 S C 0.0000
406 V C 0.0000
407 I C 0.0000
408 T C -0.3015
409 S C -0.2264
410 L C 0.0000
411 G C 0.0000
412 A C 0.0000
413 I C 0.0000
414 V C 0.0000
415 S C 0.0000
416 C C 0.0000
417 Y C 0.0000
418 G C -1.6181
419 K C -2.6116
420 T C -1.8522
421 K C -1.5043
422 C C 0.0000
423 T C 0.0000
424 A C 0.0000
425 S C 0.0000
426 N C 0.0000
427 K C 0.0000
428 N C -2.3624
429 R C -2.4083
430 G C -1.1035
431 I C 0.4060
432 I C 1.5361
433 K C 0.2995
434 T C 0.0617
435 F C -0.0718
436 S C -0.8489
437 N C -0.9836
438 G C -0.7618
439 C C -0.3736
440 D C -0.3857
441 Y C 0.0000
442 V C -0.5361
443 S C 0.0000
444 N C -2.9516
445 K C -2.7197
446 G C -1.1511
447 V C 0.0000
448 D C 0.0000
449 T C 0.0000
450 V C 0.0000
451 S C 0.0000
452 V C 0.0000
453 G C 0.0000
454 N C 0.0000
455 T C 0.0000
456 L C 0.0000
457 Y C 0.0000
458 Y C 0.0000
459 V C 0.0000
460 N C -0.7768
461 K C 0.0000
462 Q C -2.2644
463 E C -1.9714
464 G C -2.3047
465 K C -2.3482
466 S C -0.5376
467 L C 1.5330
468 Y C 1.5171
469 V C 0.2854
470 K C -1.4607
471 G C -1.2240
472 E C 0.0000
473 P C -0.1972
474 I C 0.0000
475 I C -0.1734
476 N C -1.1823
477 F C -0.4727
478 Y C 0.0000
479 D C -1.6754
480 P C -0.4553
481 L C 0.3841
482 V C 0.6065
483 F C 0.1810
484 P C 0.0000
485 S C 0.0000
486 D C 0.0000
487 E C 0.0000
488 F C 0.0000
489 D C 0.0000
490 A C 0.0000
491 S C 0.0000
492 I C 0.0000
493 S C -0.9772
494 Q C 0.0000
495 V C 0.0000
496 N C -1.4515
497 E C -1.6753
498 K C 0.0000
499 I C -0.8951
500 N C -1.4325
501 Q C -0.6268
502 S C 0.0000
503 L C -0.2043
504 A C -0.7338
505 F C -0.2995
506 I C -0.6602
507 R C -2.4123
508 K C -1.5204
509 S C -1.5195
510 D C -2.4773
511 E C -1.8600
512 L C 0.0000
513 L C 0.3399
514 H C -0.9524
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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, -0.3632 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 -0.3632 View CSV PDB
model_7 -0.3667 View CSV PDB
model_6 -0.3705 View CSV PDB
model_10 -0.3709 View CSV PDB
model_1 -0.3734 View CSV PDB
model_11 -0.3771 View CSV PDB
CABS_average -0.3781 View CSV PDB
model_0 -0.3798 View CSV PDB
model_9 -0.3826 View CSV PDB
model_2 -0.3838 View CSV PDB
model_5 -0.3856 View CSV PDB
model_3 -0.3911 View CSV PDB
model_4 -0.3921 View CSV PDB
input -0.4913 View CSV PDB