Project name: R90C_4D

Status: done

Started: 2026-05-07 02:43:10
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGCGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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                                          (00:00:02)
[INFO]       CABS:     Running CABS flex simulation                                                (00:30:03)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (18:58:07)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (18:59:46)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (19:01:19)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (19:02:49)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (19:04:20)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (19:05:46)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (19:07:16)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (19:08:50)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (19:10:24)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (19:12:01)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (19:13:45)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (19:15:18)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (19:16:43)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (19:19:26)
[INFO]       Main:     Simulation completed successfully.                                          (19:20:48)
Show buried residues

Minimal score value
-4.4486
Maximal score value
3.6824
Average score
-0.622
Total score value
-1443.5777

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 0.7014
2 G A 0.0420
3 P A -1.0383
4 G A 0.0000
5 A A 0.0000
6 R A 0.0000
7 G A -2.3455
8 R A -3.5773
9 R A -3.8915
10 R A -4.0387
11 R A -4.0545
12 R A -3.9930
13 R A -2.6338
14 P A -1.2544
15 M A -0.3155
16 S A -0.2155
17 P A -0.1148
18 P A -0.3815
19 P A -0.3525
20 P A -0.3923
21 P A -0.3199
22 P A -0.1250
23 P A 0.1092
24 V A 0.4970
25 R A -0.6961
26 A A 0.2319
27 L A 1.2934
28 P A 0.4933
29 L A 0.4435
30 L A 0.7757
31 L A 0.9462
32 L A 0.9744
33 L A 0.8902
34 A A 0.3360
35 G A -0.2458
36 P A -0.5193
37 G A -0.8296
38 A A -1.0910
39 A A -1.0609
40 A A 0.0000
41 P A 0.0000
42 P A -0.3862
43 C A -0.1107
44 L A 0.1742
45 D A -1.4682
46 G A -1.1287
47 S A -0.8890
48 P A -0.5882
49 C A -0.4649
50 A A -1.0747
51 N A -1.7742
52 G A -1.6198
53 G A -1.4635
54 R A -1.7843
55 C A -0.5965
56 T A 0.0000
57 Q A -0.7722
58 L A 0.0000
59 P A -0.9986
60 S A -1.7243
61 R A -2.6851
62 E A -2.5273
63 A A -1.6031
64 A A 0.0000
65 C A 0.0000
66 L A -0.1539
67 C A -0.4261
68 P A -0.5652
69 P A -0.7205
70 G A -0.8945
71 W A -0.3011
72 V A -0.5020
73 G A -1.2506
74 E A -1.8637
75 R A -1.2304
76 C A 0.0000
77 Q A -0.3368
78 L A -0.4666
79 E A -1.4673
80 D A 0.0000
81 P A -0.9557
82 C A 0.0000
83 H A -1.3571
84 S A -1.1975
85 G A -0.7423
86 P A -0.6763
87 C A -0.0165
88 A A -0.1098
89 G A -0.4546
90 C A -0.5327
91 G A -0.2418
92 V A 0.3725
93 C A -0.2990
94 Q A -1.1886
95 S A -1.2092
96 S A -0.9225
97 V A 0.0000
98 V A 0.8217
99 A A 0.2577
100 G A -0.0156
101 T A -0.0711
102 A A -0.4335
103 R A -0.5220
104 F A -0.7585
105 S A 0.0000
106 C A 0.0000
107 R A -1.7775
108 C A -1.0774
109 P A -1.2322
110 R A -2.2092
111 G A -2.0075
112 F A -1.5579
113 R A -1.9435
114 G A -1.0117
115 P A -1.3011
116 D A -1.8040
117 C A -0.8616
118 S A -0.8274
119 L A -1.0541
120 P A 0.0000
121 D A -2.9607
122 P A -1.8326
123 C A -0.7487
124 L A 0.7142
125 S A 0.2715
126 S A 0.0558
127 P A 0.0601
128 C A 0.0000
129 A A -0.7553
130 H A -1.5184
131 G A -1.3659
132 A A -1.4167
133 R A -1.4598
134 C A 0.3134
135 S A 0.8000
136 V A 1.4172
137 G A 0.0311
138 P A -1.0460
139 D A -2.8062
140 G A -2.1869
141 R A -1.7093
142 F A 0.5230
143 L A 1.1459
144 C A 0.0000
145 S A -0.4589
146 C A 0.0000
147 P A -0.7618
148 P A -0.1514
149 G A -0.2889
150 Y A -0.3249
151 Q A -0.8038
152 G A -0.4288
153 R A -0.8359
154 S A -0.2955
155 C A -0.1444
156 R A -0.9373
157 S A -0.7280
158 D A -1.0464
159 V A 0.0000
160 D A -0.9618
161 E A -1.0534
162 C A 0.0000
163 R A -2.0021
164 V A -0.2297
165 G A -1.3017
166 E A -2.8634
167 P A -2.3912
168 C A -2.4581
169 R A -3.0998
170 H A -2.5036
171 G A -1.7689
172 G A -1.6311
173 T A -1.4212
174 C A -1.2528
175 L A -0.7221
176 N A -1.1706
177 T A -1.0375
178 P A -0.9591
179 G A -1.0695
180 S A -0.8842
181 F A 0.0000
182 R A -1.7797
183 C A 0.0000
184 Q A -2.0196
185 C A 0.0000
186 P A -1.9684
187 A A -1.8601
188 G A -1.0783
189 Y A -1.1206
190 T A 0.0000
191 G A -0.7075
192 P A -0.6950
193 L A -0.4940
194 C A 0.0000
195 E A -2.6513
196 N A -1.4633
197 P A -0.4397
198 A A 0.5157
199 V A 1.3255
200 P A 0.4533
201 C A 0.5571
202 A A 0.2856
203 P A -0.3413
204 S A -0.6268
205 P A -0.9309
206 C A -0.5280
207 R A -0.8153
208 N A -1.6255
209 G A -1.1400
210 G A -0.6552
211 T A -0.6163
212 C A -0.9607
213 R A -2.0081
214 Q A -1.7044
215 S A -1.6657
216 G A -1.7952
217 D A -2.0621
218 L A -1.1462
219 T A -0.8386
220 Y A -0.5815
221 D A -1.6156
222 C A 0.0000
223 A A -0.4636
224 C A 0.0030
225 L A 0.5473
226 P A -0.1492
227 G A -0.2371
228 F A 0.0978
229 E A -2.0932
230 G A -1.9177
231 Q A -2.1093
232 N A -2.0985
233 C A -1.9979
234 E A -2.3013
235 V A 0.0000
236 N A -1.2064
237 V A -1.1311
238 D A -2.6932
239 D A -2.8186
240 C A 0.0000
241 P A -1.9425
242 G A -1.8751
243 H A -2.3835
244 R A -2.3866
245 C A -1.2075
246 L A 0.2615
247 N A -1.0428
248 G A -0.7373
249 G A -0.4578
250 T A 0.0000
251 C A -0.1824
252 V A 0.6261
253 D A -0.2799
254 G A 0.3545
255 V A 1.1451
256 N A -0.4020
257 T A -0.4042
258 Y A -0.4185
259 N A -0.6286
260 C A 0.0000
261 Q A -1.1005
262 C A 0.0000
263 P A -1.1615
264 P A -1.2057
265 E A -1.6338
266 W A -1.2680
267 T A -1.2047
268 G A -1.1970
269 Q A -1.1376
270 F A -0.7447
271 C A -1.5541
272 T A -1.8291
273 E A -2.1084
274 D A -2.6058
275 V A -1.6284
276 D A -2.4334
277 E A -1.6712
278 C A -0.9619
279 Q A -1.4688
280 L A -0.6655
281 Q A -1.5637
282 P A -1.1908
283 N A -1.3583
284 A A -1.0196
285 C A 0.0000
286 H A -0.7056
287 N A -0.8271
288 G A -0.3185
289 G A 0.0000
290 T A 0.0000
291 C A -0.2766
292 F A -0.2327
293 N A -0.5920
294 T A 0.4689
295 L A 0.8828
296 G A -0.2478
297 G A -0.5473
298 H A -0.9047
299 S A -0.6412
300 C A 0.0000
301 V A -0.4490
302 C A 0.0000
303 V A -0.3409
304 N A -0.0788
305 G A 0.2192
306 W A 0.3885
307 T A -0.2045
308 G A -1.2254
309 E A -2.0611
310 S A -1.5442
311 C A 0.0000
312 S A -1.0221
313 Q A -1.1447
314 N A -0.3005
315 I A 1.0706
316 D A 0.0000
317 D A -0.8367
318 C A 0.1089
319 A A 0.8374
320 T A 1.1321
321 A A 1.3873
322 V A 2.1523
323 C A 1.7923
324 F A 2.0363
325 H A 0.2414
326 G A -0.2463
327 A A 0.2266
328 T A 0.1778
329 C A 0.0566
330 H A -1.4661
331 D A -1.8085
332 R A -1.1778
333 V A 0.7393
334 A A -0.2228
335 S A 0.0000
336 F A 0.0000
337 Y A 0.4698
338 C A 1.0872
339 A A 0.7826
340 C A 0.9105
341 P A 0.6549
342 M A 0.5571
343 G A -0.3216
344 K A -0.5816
345 T A 0.4473
346 G A 1.2422
347 L A 2.6523
348 L A 2.6731
349 C A 1.8104
350 H A 0.9036
351 L A 1.4238
352 D A -0.3490
353 D A -1.7136
354 A A -0.5577
355 C A -0.2840
356 V A -0.3571
357 S A -0.2947
358 N A -0.0782
359 P A -0.3069
360 C A -0.1173
361 H A -0.8788
362 E A -1.9897
363 D A -1.5546
364 A A -0.1999
365 I A 1.1497
366 C A 0.0274
367 D A -1.6005
368 T A 0.0000
369 N A -1.2897
370 P A -0.4047
371 V A 0.8509
372 N A -1.2334
373 G A -1.7306
374 R A -2.2858
375 A A -1.4005
376 I A -0.2495
377 C A 0.0000
378 T A 0.4034
379 C A 0.0000
380 P A -0.1344
381 P A -0.7972
382 G A -0.5186
383 F A 0.8614
384 T A -0.1309
385 G A -0.1001
386 G A -0.3689
387 A A 0.0000
388 C A 0.0000
389 D A -0.7964
390 Q A -1.5543
391 D A -2.0759
392 V A -1.8224
393 D A -2.9857
394 E A -2.4046
395 C A -0.1529
396 S A -0.0271
397 I A 0.2257
398 G A -0.6409
399 A A -0.5089
400 N A -1.8839
401 P A -1.7731
402 C A -1.4395
403 E A -2.0035
404 H A 0.0000
405 L A 0.2089
406 G A -1.0688
407 R A -0.8391
408 C A 0.5621
409 V A 0.6857
410 N A -0.2569
411 T A -0.3826
412 Q A -1.8938
413 G A -1.5834
414 S A 0.1192
415 F A 1.5484
416 L A 1.8700
417 C A 0.6956
418 Q A -0.6404
419 C A -1.0554
420 G A -1.7562
421 R A -1.8340
422 G A -0.8664
423 Y A 0.0752
424 T A -0.2465
425 G A -0.4869
426 P A -0.2019
427 R A -0.5350
428 C A -0.1366
429 E A -0.3558
430 T A -0.4148
431 D A -0.3311
432 V A -0.4111
433 N A -0.6988
434 E A -0.5340
435 C A -0.1329
436 L A -0.1720
437 S A -0.5801
438 G A -0.3397
439 P A -0.8233
440 C A -1.3411
441 R A -2.7181
442 N A -2.2259
443 Q A -1.5104
444 A A -0.8656
445 T A 0.1690
446 C A 0.4918
447 L A 0.9850
448 D A -0.6536
449 R A -1.3546
450 I A 0.2659
451 G A -0.7969
452 Q A -1.5050
453 F A 0.0000
454 T A 0.0864
455 C A 0.4920
456 I A 1.0635
457 C A 0.0000
458 M A 1.1530
459 A A 0.0817
460 G A -0.6254
461 F A 1.0023
462 T A -0.1823
463 G A 0.0675
464 T A 0.2524
465 Y A 1.0481
466 C A 0.0000
467 E A -1.5054
468 V A -1.1845
469 D A -2.0212
470 I A -2.1061
471 D A -3.3628
472 E A -3.0977
473 C A 0.0000
474 Q A -2.0578
475 S A -1.1612
476 S A -0.4082
477 P A 0.0166
478 C A 0.5632
479 V A 1.2165
480 N A 0.0265
481 G A -0.4477
482 G A -0.5945
483 V A -0.2697
484 C A -1.0094
485 K A -2.3825
486 D A -2.9697
487 R A -2.9749
488 V A -2.2258
489 N A -2.4176
490 G A -1.8114
491 F A -1.6085
492 S A -0.9907
493 C A -0.2054
494 T A 0.0582
495 C A -0.0147
496 P A -0.1979
497 S A -0.9344
498 G A -1.0626
499 F A -0.2795
500 S A -0.7423
501 G A -0.9947
502 S A -0.7043
503 T A -0.5940
504 C A 0.0000
505 Q A -1.3496
506 L A -1.0448
507 D A -2.2436
508 V A -2.0932
509 D A -2.9063
510 E A -2.0472
511 C A -0.6810
512 A A -0.2398
513 S A -0.4617
514 T A -0.5130
515 P A -0.4492
516 C A -1.5096
517 R A -2.8069
518 N A -2.8764
519 G A -2.2031
520 A A -2.1566
521 K A -2.2600
522 C A -0.9828
523 V A -0.7929
524 D A -1.6935
525 Q A -1.8933
526 P A -1.5403
527 D A -1.6303
528 G A -1.4336
529 Y A -1.4659
530 E A -1.8890
531 C A -1.4387
532 R A -2.2722
533 C A -1.4719
534 A A -1.0954
535 E A -1.8689
536 G A -1.5196
537 F A -0.7051
538 E A -2.4107
539 G A -1.4292
540 T A -0.7236
541 L A 0.7837
542 C A -0.3269
543 D A -2.2305
544 R A -2.7521
545 N A -2.5802
546 V A -2.1827
547 D A -2.3523
548 D A -2.2411
549 C A -1.1890
550 S A -1.7384
551 P A -1.5429
552 D A -2.5175
553 P A -2.1773
554 C A 0.0000
555 H A -2.8639
556 H A -2.2050
557 G A -1.6549
558 R A -0.9949
559 C A 0.1627
560 V A 1.0643
561 D A 0.2253
562 G A 0.4919
563 I A 1.4086
564 A A -0.1520
565 S A -1.1693
566 F A 0.0000
567 S A -1.1007
568 C A 0.0000
569 A A -0.6570
570 C A -0.8574
571 A A 0.0000
572 P A 0.0074
573 G A 0.0146
574 Y A 0.5634
575 T A -0.6788
576 G A -0.9810
577 T A -1.4991
578 R A -2.7837
579 C A -2.0657
580 E A -2.0939
581 S A -0.9239
582 Q A -0.8692
583 V A 0.7006
584 D A -1.0525
585 E A -2.1275
586 C A -2.2400
587 R A -2.8953
588 S A -1.7908
589 Q A -2.0279
590 P A -1.5376
591 C A 0.0000
592 R A -3.3067
593 H A -3.1362
594 G A -2.1800
595 G A -2.5564
596 K A -2.5966
597 C A -1.5073
598 L A 0.3592
599 D A -0.1259
600 L A 1.2233
601 V A 1.1541
602 D A -1.2780
603 K A -1.3371
604 Y A -0.8032
605 L A 0.0333
606 C A -1.6959
607 R A -2.7435
608 C A 0.0000
609 P A -2.1411
610 S A -1.2740
611 G A -0.6046
612 T A -0.3977
613 T A -0.1878
614 G A -0.2940
615 V A 0.7563
616 N A -0.8930
617 C A 0.0000
618 E A -0.8477
619 V A 0.8385
620 N A 0.5069
621 I A 0.7444
622 D A -1.0515
623 D A -1.9799
624 C A -0.7506
625 A A -0.1949
626 S A -0.4071
627 N A -0.1793
628 P A -0.4912
629 C A 0.1993
630 T A 0.5356
631 F A 1.9642
632 G A 1.5764
633 V A 2.0400
634 C A 0.3508
635 R A -1.8179
636 D A -1.4501
637 G A 0.0000
638 I A 0.6156
639 N A -1.3562
640 R A -2.5360
641 Y A -1.8631
642 D A -2.1129
643 C A -0.0109
644 V A 1.1783
645 C A 0.8234
646 Q A 0.0251
647 P A -0.5725
648 G A -0.3031
649 F A -0.1484
650 T A 0.1926
651 G A 0.3377
652 P A 0.6735
653 L A 1.4013
654 C A 0.6735
655 N A -0.6306
656 V A -0.3435
657 E A -1.2721
658 I A -0.5895
659 N A -0.9760
660 E A -0.5508
661 C A -0.2834
662 A A -0.1435
663 S A -0.3522
664 S A 0.0000
665 P A -0.5088
666 C A -0.8160
667 G A -1.5871
668 E A -2.3797
669 G A -1.6870
670 G A -1.2406
671 S A -0.6745
672 C A -0.0265
673 V A 0.2243
674 D A -0.7314
675 G A -1.6209
676 E A -2.5692
677 N A -2.4301
678 G A -1.6709
679 F A -0.8295
680 R A -0.5786
681 C A 0.0000
682 L A 0.5203
683 C A -0.1890
684 P A -0.6856
685 P A -0.5641
686 G A -0.5556
687 S A -0.1356
688 L A 0.6273
689 P A 0.2023
690 P A 0.4803
691 L A 1.4852
692 C A 0.8813
693 L A 0.2821
694 P A -0.5203
695 P A -0.0787
696 S A -0.4541
697 H A -0.5466
698 P A -0.6153
699 C A -0.3894
700 A A -0.8708
701 H A -1.6387
702 E A -2.2594
703 P A -1.2283
704 C A -0.6054
705 S A -0.6485
706 H A -0.3970
707 G A 0.7825
708 I A 2.2610
709 C A 1.8016
710 Y A 1.0355
711 D A -1.1842
712 A A -1.0043
713 P A -0.6036
714 G A -1.0252
715 G A -0.6108
716 F A -0.3038
717 R A -0.3329
718 C A 0.3728
719 V A 1.3522
720 C A 0.3991
721 E A -1.2561
722 P A -1.0416
723 G A -0.5253
724 W A 0.4350
725 S A -0.2922
726 G A -0.5787
727 P A -0.9956
728 R A -1.9024
729 C A -0.6846
730 S A -0.7703
731 Q A -1.0686
732 S A -0.3067
733 L A 0.5434
734 A A -0.6859
735 R A -2.3790
736 D A -2.4015
737 A A -1.5401
738 C A -1.4091
739 E A -2.7859
740 S A -1.7669
741 Q A -2.2593
742 P A -1.7559
743 C A -1.6089
744 R A -2.0230
745 A A -1.0809
746 G A -0.9551
747 G A -0.8142
748 T A -0.2967
749 C A -0.5062
750 S A -0.5624
751 S A -0.9350
752 D A -1.5605
753 G A -0.7418
754 M A 0.2164
755 G A 0.1577
756 F A 0.7680
757 H A -0.3633
758 C A 0.0626
759 T A -0.0514
760 C A -1.1059
761 P A -0.8869
762 P A -0.9486
763 G A -0.5593
764 V A -0.5523
765 Q A -1.7047
766 G A -2.3678
767 R A -3.1039
768 Q A -2.9511
769 C A -2.6671
770 E A -3.1147
771 L A 0.0000
772 L A -0.4476
773 S A -0.5666
774 P A -0.1699
775 C A -0.5179
776 T A -1.0227
777 P A -1.5022
778 N A -2.7796
779 P A -2.2902
780 C A -2.3419
781 E A -2.6225
782 H A -2.0763
783 G A -2.1431
784 G A -1.9853
785 R A -1.9048
786 C A -1.2722
787 E A -1.6839
788 S A -1.1310
789 A A -0.8859
790 P A -1.1444
791 G A -1.3921
792 Q A -1.1431
793 L A -0.2657
794 P A -0.5956
795 V A -0.6846
796 C A 0.0000
797 S A 0.0000
798 C A 0.0000
799 P A 0.0000
800 Q A -1.4407
801 G A -0.6321
802 W A -0.2092
803 Q A -1.4415
804 G A -1.6112
805 P A -1.7054
806 R A -2.8202
807 C A 0.0000
808 Q A -2.5588
809 Q A -2.2975
810 D A 0.0000
811 V A 0.8969
812 D A -0.0608
813 E A -1.0086
814 C A 0.6042
815 A A 0.0829
816 G A -0.1439
817 P A -0.5524
818 A A -0.4081
819 P A -0.8957
820 C A -0.5560
821 G A -0.5084
822 P A -0.5204
823 H A -0.7266
824 G A 0.0925
825 I A 1.7418
826 C A 1.5371
827 T A 0.9449
828 N A 0.9241
829 L A 1.6658
830 A A 0.3125
831 G A -0.2660
832 S A 0.7248
833 F A 1.4130
834 S A 1.1311
835 C A 0.0000
836 T A 0.3846
837 C A -0.5679
838 H A -1.2900
839 G A -1.1571
840 G A -1.3205
841 Y A -1.2498
842 T A -1.3959
843 G A -1.1335
844 P A -0.5662
845 S A -0.3899
846 C A 0.0000
847 D A -1.5717
848 Q A -1.8104
849 D A -2.5861
850 I A -1.9374
851 N A -2.0911
852 D A -1.3667
853 C A -0.4294
854 D A -0.8081
855 P A -0.6145
856 N A 0.0000
857 P A 0.0000
858 C A -0.1298
859 L A -0.2033
860 N A -1.2599
861 G A -0.8613
862 G A -0.4746
863 S A -0.6495
864 C A -1.0751
865 Q A -1.9507
866 D A -2.6389
867 G A -1.2395
868 V A -0.6270
869 G A -1.0589
870 S A -0.8349
871 F A -1.1587
872 S A -1.2690
873 C A -0.8254
874 S A -0.2940
875 C A 0.0000
876 L A 1.3852
877 P A 0.3968
878 G A -0.1072
879 F A -0.2793
880 A A -0.7185
881 G A -1.1747
882 P A -1.1873
883 R A -1.8471
884 C A -1.0027
885 A A -1.1230
886 R A -2.2686
887 D A -1.1807
888 V A -0.2687
889 D A -0.6306
890 E A -1.3163
891 C A -0.1108
892 L A 0.0000
893 S A -0.7144
894 N A -0.5595
895 P A -0.5396
896 C A 0.0083
897 G A -0.4530
898 P A 0.0000
899 G A -0.4504
900 T A 0.3071
901 C A 0.4190
902 T A 0.0000
903 D A 0.0000
904 H A 0.0000
905 V A 0.0000
906 A A -0.4168
907 S A -0.5292
908 F A -0.0579
909 T A 0.0000
910 C A 0.0000
911 T A -0.0448
912 C A -0.3831
913 P A -0.3379
914 P A -0.3042
915 G A -0.2639
916 Y A -0.3769
917 G A -0.5066
918 G A 0.0000
919 F A 0.0000
920 H A 0.0000
921 C A 0.0000
922 E A -1.9573
923 Q A -1.3243
924 D A -1.0591
925 L A -0.2490
926 P A -0.1575
927 D A -0.2358
928 C A -0.1581
929 S A -0.2076
930 P A -0.0292
931 S A -0.1377
932 S A 0.1325
933 C A 0.0000
934 F A 0.4789
935 N A -0.9648
936 G A -0.7722
937 G A -0.2316
938 T A 0.5704
939 C A 0.7858
940 V A 1.5342
941 D A 0.2601
942 G A -0.1000
943 V A 0.2272
944 N A -0.1202
945 S A -0.3552
946 F A 0.0000
947 S A 0.3406
948 C A 0.0000
949 L A 0.7815
950 C A -0.4408
951 R A -1.3993
952 P A -0.8169
953 G A -0.9892
954 Y A -0.7177
955 T A -0.4611
956 G A -0.3618
957 A A -0.1628
958 H A 0.0573
959 C A 0.0000
960 Q A 0.0000
961 H A -0.7401
962 E A -0.9514
963 A A -0.8107
964 D A -1.2919
965 P A 0.0000
966 C A -1.2428
967 L A -0.6230
968 S A -0.9446
969 R A -1.5918
970 P A -1.0256
971 C A -0.4362
972 L A 0.5922
973 H A 0.2374
974 G A -0.2952
975 G A -0.4258
976 V A 0.0000
977 C A 0.0000
978 S A -1.2069
979 A A -1.0679
980 A A -0.7536
981 H A -0.7136
982 P A -0.8270
983 G A -0.9364
984 F A -1.2657
985 R A -1.9167
986 C A -0.9927
987 T A -0.4230
988 C A 0.0247
989 L A 0.2650
990 E A -1.1077
991 S A -0.3219
992 F A 0.5258
993 T A -0.1055
994 G A -0.5099
995 P A -0.8897
996 Q A -1.2229
997 C A -0.3524
998 Q A -0.5036
999 T A 0.1210
1000 L A 0.0670
1001 V A -0.3614
1002 D A -1.0423
1003 W A 0.0000
1004 C A -1.3778
1005 S A -1.2557
1006 R A -2.1623
1007 Q A 0.0000
1008 P A -1.1307
1009 C A -1.5010
1010 Q A -2.2435
1011 N A -2.6551
1012 G A -2.0642
1013 G A -1.4254
1014 R A -2.0243
1015 C A 0.0000
1016 V A 0.5670
1017 Q A -0.1634
1018 T A -0.0774
1019 G A -0.2340
1020 A A -0.1981
1021 Y A 0.3823
1022 C A 0.6687
1023 L A 1.0834
1024 C A -0.2785
1025 P A 0.0000
1026 P A -0.4999
1027 G A -0.1221
1028 W A 0.0852
1029 S A 0.0402
1030 G A -0.4414
1031 R A -0.8116
1032 L A 0.0000
1033 C A 0.0000
1034 D A 0.0000
1035 I A 0.0000
1036 R A -0.7113
1037 S A -0.7061
1038 L A -1.2004
1039 P A -1.8673
1040 C A 0.0000
1041 R A -2.7195
1042 E A -2.4553
1043 A A 0.0000
1044 A A 0.0000
1045 A A -1.1372
1046 Q A -1.0130
1047 I A 0.5806
1048 G A -0.0439
1049 V A -0.5071
1050 R A -2.4667
1051 L A -2.0959
1052 E A -3.1760
1053 Q A -2.3274
1054 L A 0.0000
1055 C A 0.0000
1056 Q A -1.8324
1057 A A -1.6931
1058 G A -1.4679
1059 G A -1.3322
1060 Q A -1.3189
1061 C A -0.9678
1062 V A -0.7136
1063 D A -2.3069
1064 E A -2.5686
1065 D A -2.7712
1066 S A -1.7856
1067 S A -1.5303
1068 H A 0.0000
1069 Y A -0.2683
1070 C A 0.0000
1071 V A 0.2099
1072 C A 0.0000
1073 P A -1.6846
1074 E A -2.3851
1075 G A -2.2065
1076 R A -2.2567
1077 T A -1.3155
1078 G A -1.4445
1079 S A -1.4542
1080 H A -0.9732
1081 C A -0.8091
1082 E A -1.6002
1083 Q A -1.9726
1084 E A -2.5551
1085 V A -0.7268
1086 D A -0.7701
1087 P A 0.0687
1088 C A 0.5504
1089 L A 0.1681
1090 A A -0.4972
1091 Q A -1.5661
1092 P A -1.3775
1093 C A -1.4168
1094 Q A -1.3300
1095 H A -1.1916
1096 G A -1.1360
1097 G A -1.4021
1098 T A -0.8666
1099 C A -1.0247
1100 R A -1.5233
1101 G A -0.0120
1102 Y A 1.1690
1103 M A 1.2923
1104 G A 0.2463
1105 G A -0.0832
1106 Y A -0.6001
1107 M A -0.8881
1108 C A 0.0000
1109 E A -2.4481
1110 C A -1.2988
1111 L A 0.0000
1112 P A -0.3089
1113 G A -0.0339
1114 Y A -0.0926
1115 N A 0.0000
1116 G A -2.0479
1117 D A -2.9569
1118 N A -2.6974
1119 C A 0.0000
1120 E A -2.8907
1121 D A -2.2514
1122 D A -1.1344
1123 V A 0.0000
1124 D A -1.8717
1125 E A 0.0000
1126 C A -0.3119
1127 A A -0.4595
1128 S A -0.5380
1129 Q A -0.4323
1130 P A -0.3617
1131 C A -0.3932
1132 Q A -0.7503
1133 H A -0.9979
1134 G A -0.9781
1135 G A -0.8857
1136 S A 0.0000
1137 C A 0.0000
1138 I A 0.0000
1139 D A -0.5684
1140 L A -0.6097
1141 V A -0.3596
1142 A A -0.2752
1143 R A -0.2506
1144 Y A 0.0000
1145 L A 0.2567
1146 C A 0.2624
1147 S A 0.0000
1148 C A 0.0000
1149 P A 0.0000
1150 P A -0.5902
1151 G A -1.0803
1152 T A 0.0000
1153 L A -0.6405
1154 G A -0.1563
1155 V A 0.6619
1156 L A 0.1008
1157 C A 0.0000
1158 E A -1.9764
1159 I A -1.5685
1160 N A -1.9372
1161 E A -1.6711
1162 D A 0.0000
1163 D A -1.4114
1164 C A -1.0795
1165 G A -0.8867
1166 P A -0.7557
1167 G A -0.6219
1168 P A -0.2855
1169 P A -0.2324
1170 L A -0.3388
1171 D A -1.7279
1172 S A -1.2528
1173 G A -0.7674
1174 P A -0.4630
1175 R A 0.0000
1176 C A 0.0000
1177 L A 0.4664
1178 H A -0.6638
1179 N A 0.0000
1180 G A -0.6002
1181 T A 0.0000
1182 C A 0.0000
1183 V A 0.0000
1184 D A -1.2179
1185 L A -0.5426
1186 V A -0.2039
1187 G A -0.3967
1188 G A -0.2063
1189 F A 0.0000
1190 R A 0.0000
1191 C A 0.0000
1192 T A -0.7447
1193 C A -0.0451
1194 P A -0.1175
1195 P A -0.5493
1196 G A -1.0424
1197 Y A 0.0000
1198 T A 0.0000
1199 G A 0.0000
1200 L A -0.0030
1201 R A 0.0000
1202 C A 0.0000
1203 E A -0.9511
1204 A A 0.0000
1205 D A -1.2181
1206 I A 0.0000
1207 N A -1.5223
1208 E A -1.1033
1209 C A 0.0000
1210 R A -1.6917
1211 S A -0.9571
1212 G A -0.9388
1213 A A -0.5426
1214 C A -0.2714
1215 H A -1.0805
1216 A A -0.6937
1217 A A -0.6498
1218 H A 0.0000
1219 T A 0.0000
1220 R A -0.5169
1221 D A 0.0000
1222 C A 0.0000
1223 L A -0.8875
1224 Q A -1.1280
1225 D A -1.4643
1226 P A -1.2831
1227 G A -1.2090
1228 G A -0.9613
1229 G A -0.8840
1230 F A -0.3856
1231 R A -1.1808
1232 C A -0.5117
1233 L A 0.0336
1234 C A -0.1528
1235 H A -0.2595
1236 A A 0.1389
1237 G A 0.3016
1238 F A 0.6361
1239 S A 0.0000
1240 G A -0.6503
1241 P A -0.9923
1242 R A -1.7101
1243 C A -0.5022
1244 Q A -0.7726
1245 T A -0.1333
1246 V A 0.0000
1247 L A 1.0400
1248 S A 0.1661
1249 P A -0.1752
1250 C A 0.0000
1251 E A -1.3929
1252 S A -1.1839
1253 Q A -1.3048
1254 P A -1.0881
1255 C A -0.9948
1256 Q A 0.0000
1257 H A 0.0000
1258 G A 0.0000
1259 G A -0.7000
1260 Q A -1.3453
1261 C A -0.9348
1262 R A -1.7316
1263 P A -0.7510
1264 S A 0.0000
1265 P A 0.0000
1266 G A -0.5368
1267 P A -0.7608
1268 G A -1.2628
1269 G A 0.0000
1270 G A -0.5622
1271 L A 0.0000
1272 T A -0.4858
1273 F A 0.0000
1274 T A -1.0965
1275 C A 0.0000
1276 H A -1.0617
1277 C A -0.4808
1278 A A 0.0000
1279 Q A -0.8722
1280 P A 0.0000
1281 F A 0.0000
1282 W A -0.4754
1283 G A 0.0000
1284 P A -0.8406
1285 R A -1.1120
1286 C A 0.0000
1287 E A -1.2035
1288 R A -1.4058
1289 V A -0.6377
1290 A A -0.8642
1291 R A -2.2331
1292 S A -1.6704
1293 C A 0.0000
1294 R A -2.5231
1295 E A -1.7232
1296 L A 0.2867
1297 Q A -0.5952
1298 C A 0.0000
1299 P A -0.1660
1300 V A -0.0444
1301 G A -0.2165
1302 V A -0.3430
1303 P A -1.1300
1304 C A 0.0000
1305 Q A -2.8532
1306 Q A -3.0835
1307 T A -2.0452
1308 P A -2.0755
1309 R A -3.1563
1310 G A -2.5224
1311 P A -3.1995
1312 R A -3.2325
1313 C A 0.0000
1314 A A -0.8347
1315 C A 0.0000
1316 P A 0.0000
1317 P A -0.6267
1318 G A -0.6570
1319 L A -0.5209
1320 S A -0.6684
1321 G A -0.8812
1322 P A -0.7928
1323 S A -0.5913
1324 C A 0.0000
1325 R A -1.0695
1326 S A -0.8151
1327 F A 0.0000
1328 P A -0.6823
1329 G A -0.4838
1330 S A -0.1383
1331 P A -0.3878
1332 P A -0.5590
1333 G A -0.5854
1334 A A -0.4798
1335 S A -0.8524
1336 N A 0.0000
1337 A A -0.4347
1338 S A -0.4150
1339 C A 0.0000
1340 A A -0.5553
1341 A A 0.0000
1342 A A 0.0000
1343 P A 0.0192
1344 C A 0.0000
1345 L A 1.0714
1346 H A 0.1499
1347 G A -0.4264
1348 G A -0.3729
1349 S A 0.0000
1350 C A 0.0000
1351 R A -1.8637
1352 P A -1.1473
1353 A A -0.5611
1354 P A -0.3314
1355 L A -0.2732
1356 A A 0.0000
1357 P A 0.0000
1358 F A -0.5087
1359 F A 0.0000
1360 R A -2.0981
1361 C A -0.9705
1362 A A -0.4694
1363 C A -0.0494
1364 A A -0.4554
1365 Q A -1.2856
1366 G A -1.0920
1367 W A -0.6647
1368 T A -0.6404
1369 G A -0.7613
1370 P A -0.9535
1371 R A -1.0823
1372 C A 0.0000
1373 E A -0.7187
1374 A A -0.6908
1375 P A -0.6719
1376 A A -0.2987
1377 A A -0.2469
1378 A A -0.4561
1379 P A -0.7549
1380 E A -1.3417
1381 V A -0.0962
1382 S A -1.1557
1383 E A -2.5686
1384 E A -2.6356
1385 P A -1.9314
1386 R A -1.6178
1387 C A 0.0000
1388 P A -0.8830
1389 R A -0.8812
1390 A A -0.4372
1391 A A -0.7692
1392 C A 0.0000
1393 Q A -1.4187
1394 A A -0.9663
1395 K A -1.5534
1396 R A 0.0000
1397 G A -1.7961
1398 D A -2.1233
1399 Q A -0.9237
1400 R A 0.0000
1401 C A 0.0000
1402 D A -0.9069
1403 R A 0.0000
1404 E A -1.4045
1405 C A 0.0000
1406 N A 0.0000
1407 S A 0.0000
1408 P A -0.8884
1409 G A -1.1984
1410 C A 0.0000
1411 G A -0.8636
1412 W A 0.0000
1413 D A -1.6207
1414 G A -1.1842
1415 G A -1.5316
1416 D A -1.9278
1417 C A 0.0000
1418 S A 0.0000
1419 L A 0.0000
1420 S A 0.0000
1421 V A -0.3314
1422 G A -0.8727
1423 D A -1.1187
1424 P A -1.3836
1425 W A 0.0000
1426 R A -3.1629
1427 Q A -2.5961
1428 C A -2.0809
1429 E A -2.6827
1430 A A -1.3068
1431 L A -0.2775
1432 Q A -0.9048
1433 C A -0.7237
1434 W A 0.0000
1435 R A 0.0000
1436 L A -0.8622
1437 F A 0.0000
1438 N A -1.2253
1439 N A -1.6175
1440 S A -0.9912
1441 R A -0.6724
1442 C A -0.3502
1443 D A -0.5527
1444 P A -0.3763
1445 A A -0.5381
1446 C A 0.0000
1447 S A -0.5245
1448 S A -0.2711
1449 P A -0.5212
1450 A A 0.0000
1451 C A 0.0000
1452 L A 0.0000
1453 Y A 0.0000
1454 D A 0.0000
1455 N A 0.0000
1456 F A 0.0000
1457 D A -0.8537
1458 C A 0.0000
1459 H A 0.0000
1460 A A -0.1490
1461 G A -0.7298
1462 G A -0.9711
1463 R A 0.0000
1464 E A -0.9123
1465 R A -0.9070
1466 T A 0.0190
1467 C A 0.2571
1468 N A 0.0000
1469 P A 0.0000
1470 V A 0.6015
1471 Y A 1.4126
1472 E A 0.0000
1473 K A -0.4104
1474 Y A 0.2946
1475 C A 0.0000
1476 A A 0.0000
1477 D A -1.4198
1478 H A 0.0000
1479 F A 0.0578
1480 A A -0.7598
1481 D A -1.9558
1482 G A -1.6967
1483 R A -1.7664
1484 C A -0.5771
1485 D A -0.6562
1486 Q A -0.7284
1487 G A -0.3323
1488 C A 0.2137
1489 N A 0.0000
1490 T A -0.2699
1491 E A 0.0000
1492 E A 0.0000
1493 C A 0.0000
1494 G A 0.0000
1495 W A 0.0000
1496 D A 0.0000
1497 G A -0.4449
1498 L A -0.4508
1499 D A -1.2708
1500 C A -0.6774
1501 A A -0.2157
1502 S A -0.4399
1503 E A -0.6542
1504 V A 1.0005
1505 P A 0.7273
1506 A A 0.9922
1507 L A 1.4590
1508 L A 0.7861
1509 A A 0.0000
1510 R A -0.8521
1511 G A -1.2606
1512 V A 0.0000
1513 L A 0.0000
1514 V A 0.0000
1515 L A 0.0000
1516 T A 0.0000
1517 V A 0.0000
1518 L A 0.0000
1519 L A -0.0173
1520 P A -0.9136
1521 P A -1.2887
1522 E A -2.7993
1523 E A -2.8636
1524 L A 0.0000
1525 L A -1.0784
1526 R A -2.3637
1527 S A -1.5381
1528 S A -0.6433
1529 A A -0.3420
1530 D A -0.6557
1531 F A 0.0000
1532 L A 0.0000
1533 Q A 0.0000
1534 R A 0.0000
1535 L A 0.0000
1536 S A 0.0000
1537 A A 0.0000
1538 I A 0.0000
1539 L A 0.0000
1540 R A 0.0000
1541 T A 0.0000
1542 S A 0.0000
1543 L A 0.0000
1544 R A -1.2185
1545 F A -0.9775
1546 R A -2.3185
1547 L A 0.0000
1548 D A -1.7380
1549 A A -1.2946
1550 H A -1.6794
1551 G A -1.6932
1552 Q A -1.5529
1553 A A -1.0246
1554 M A -0.0195
1555 V A 0.1660
1556 F A 0.0000
1557 P A -0.0580
1558 Y A 0.1848
1559 H A -0.5419
1560 R A -0.9987
1561 P A -1.1170
1562 S A -1.4164
1563 P A -1.8395
1564 G A -2.2122
1565 S A -2.3141
1566 E A -3.4012
1567 P A -2.7950
1568 R A -4.2540
1569 A A -3.3586
1570 R A -3.9126
1571 R A -3.7330
1572 E A -3.0214
1573 L A -0.5293
1574 A A -0.4203
1575 P A -0.3761
1576 E A -0.5499
1577 V A -0.1510
1578 I A 0.0000
1579 G A 0.0000
1580 S A 0.0000
1581 V A 0.0000
1582 V A 0.0000
1583 M A 0.0000
1584 L A 0.0000
1585 E A 0.0000
1586 I A 0.0000
1587 D A 0.0000
1588 N A 0.0000
1589 R A 0.0000
1590 L A 0.0000
1591 C A 0.0000
1592 L A 0.0833
1593 Q A 0.0000
1594 S A 0.0000
1595 P A -0.4120
1596 E A 0.0000
1597 N A -0.6261
1598 D A -0.5613
1599 H A 0.0000
1600 C A -0.1217
1601 F A 0.0000
1602 P A -0.8944
1603 D A -2.0727
1604 A A 0.0000
1605 Q A -1.7153
1606 S A -1.4300
1607 A A 0.0000
1608 A A 0.0000
1609 D A 0.0000
1610 Y A 0.0000
1611 L A 0.0000
1612 G A 0.0000
1613 A A 0.0000
1614 L A 0.0000
1615 S A 0.0000
1616 A A 0.0000
1617 V A 0.0000
1618 E A -0.9102
1619 R A -0.8903
1620 L A 0.0000
1621 D A 0.0000
1622 F A 0.0000
1623 P A 0.0000
1624 Y A 0.7569
1625 P A 0.0000
1626 L A 0.0000
1627 R A -1.4216
1628 D A -0.8099
1629 V A 0.0000
1630 R A -1.1136
1631 G A 0.0000
1632 E A 0.0000
1633 P A -1.2630
1634 L A 0.0000
1635 E A 0.0000
1636 P A -1.0209
1637 P A -0.9963
1638 E A -1.0260
1639 P A -0.8698
1640 S A -0.1954
1641 V A 0.4682
1642 P A 1.3772
1643 L A 3.0152
1644 L A 3.3607
1645 P A 2.4606
1646 L A 2.5433
1647 L A 3.6824
1648 V A 3.4544
1649 A A 2.6532
1650 G A 2.2355
1651 A A 2.2632
1652 V A 2.5306
1653 L A 0.0000
1654 L A 3.2137
1655 L A 2.6255
1656 V A 0.0000
1657 I A 2.4867
1658 L A 2.7871
1659 V A 0.0000
1660 L A 1.2790
1661 G A 1.0483
1662 V A 1.0288
1663 M A 0.0000
1664 V A -0.3964
1665 A A -1.4071
1666 R A -2.8271
1667 R A -3.5388
1668 K A -3.7342
1669 R A -4.4486
1670 E A -4.1429
1671 H A -2.5014
1672 S A -1.8279
1673 T A 0.0000
1674 L A 1.5774
1675 W A 2.5042
1676 F A 2.6476
1677 P A 0.6968
1678 E A -0.8052
1679 G A -0.5627
1680 F A 0.8612
1681 S A -0.1055
1682 L A -0.2679
1683 H A -1.8379
1684 K A -3.1025
1685 D A -3.4787
1686 V A -1.7858
1687 A A -1.7273
1688 S A -1.6682
1689 G A -1.2285
1690 H A -2.1936
1691 K A -2.8526
1692 G A -2.8799
1693 R A -3.9092
1694 R A -4.2021
1695 E A -2.9317
1696 P A -2.1767
1697 V A -0.5354
1698 G A -1.0334
1699 Q A -1.4719
1700 D A -1.7282
1701 A A -0.2578
1702 L A 1.2026
1703 G A 0.9156
1704 M A 0.1792
1705 K A -1.6214
1706 N A -1.9384
1707 M A -1.3254
1708 A A -0.8732
1709 K A 0.0000
1710 G A -1.0236
1711 E A 0.0000
1712 S A 0.0000
1713 L A 0.0000
1714 M A -0.8016
1715 G A -1.3032
1716 E A -2.1370
1717 V A 0.0000
1718 A A -0.9324
1719 T A -1.0539
1720 D A -1.6746
1721 W A 0.0000
1722 M A 0.0000
1723 D A 0.0000
1724 T A 0.0000
1725 E A -1.8633
1726 C A -1.0486
1727 P A -0.9978
1728 E A -1.6095
1729 A A -1.9161
1730 K A -2.5923
1731 R A -2.1340
1732 L A 0.4610
1733 K A -0.2049
1734 V A -0.1058
1735 E A -1.7553
1736 E A -2.1024
1737 P A -1.2330
1738 G A -0.9794
1739 M A -0.1787
1740 G A -0.7340
1741 A A -1.3003
1742 E A -1.9984
1743 E A -1.3216
1744 A A -0.6077
1745 V A -0.4202
1746 D A -1.8295
1747 C A 0.0000
1748 R A -1.4759
1749 Q A 0.0000
1750 W A 0.0000
1751 T A 0.0000
1752 Q A -0.2374
1753 H A 0.4961
1754 H A 0.0000
1755 L A 2.3884
1756 V A 2.3444
1757 A A 0.0000
1758 A A 1.0813
1759 D A 0.4839
1760 I A 1.2717
1761 R A -0.9360
1762 V A 0.0000
1763 A A -0.7374
1764 P A -0.6788
1765 A A 0.1055
1766 M A -0.0137
1767 A A -0.0995
1768 L A 0.2047
1769 T A -0.1842
1770 P A -0.4427
1771 P A -1.2769
1772 Q A -1.6677
1773 G A -1.4998
1774 D A -1.4871
1775 A A -1.0229
1776 D A -1.7739
1777 A A -1.8100
1778 D A -2.7489
1779 G A -2.1439
1780 M A 0.0000
1781 D A -2.7189
1782 V A 0.0000
1783 N A 0.0000
1784 V A 0.0000
1785 R A -1.1024
1786 G A -1.3769
1787 P A 0.0000
1788 D A -1.8770
1789 G A 0.0000
1790 F A 0.0000
1791 T A 0.0000
1792 P A 0.0000
1793 L A 0.0000
1794 M A 0.0000
1795 L A 0.0000
1796 A A 0.0000
1797 S A 0.0000
1798 F A 0.0000
1799 C A 0.2375
1800 G A 0.0991
1801 G A 0.5172
1802 A A 0.7837
1803 L A 1.4840
1804 E A 0.0000
1805 P A 0.4274
1806 M A 0.0000
1807 P A -1.0960
1808 T A -1.9794
1809 E A -3.2576
1810 E A -3.2549
1811 D A -2.4480
1812 E A 0.0000
1813 A A -0.4144
1814 D A 0.0000
1815 D A -0.5935
1816 T A -0.5394
1817 S A 0.0000
1818 A A 0.0000
1819 S A -0.4995
1820 I A 0.2945
1821 I A 0.0000
1822 S A -0.5447
1823 D A -0.9807
1824 L A 0.0000
1825 I A 0.3495
1826 C A 0.1853
1827 Q A -1.2763
1828 G A -0.8123
1829 A A -0.4371
1830 Q A 0.0000
1831 L A 0.0000
1832 G A 0.0000
1833 A A 0.0000
1834 R A -1.6478
1835 T A 0.0000
1836 D A -3.1277
1837 R A -2.8514
1838 T A -1.9379
1839 G A 0.0000
1840 E A 0.0000
1841 T A 0.0000
1842 A A 0.0000
1843 L A 0.0000
1844 H A 0.0000
1845 L A 0.0000
1846 A A 0.0000
1847 A A 0.0000
1848 R A -0.9311
1849 Y A 0.1241
1850 A A -0.1750
1851 R A 0.0000
1852 A A 0.0000
1853 D A 0.0000
1854 A A 0.0000
1855 A A 0.0000
1856 K A 0.0000
1857 R A -1.0664
1858 L A 0.0000
1859 L A 0.0000
1860 D A -1.4695
1861 A A -0.5188
1862 G A 0.0872
1863 A A 0.0000
1864 D A 0.0000
1865 T A 0.0000
1866 N A -0.4217
1867 A A 0.0000
1868 Q A 0.0000
1869 D A -1.7906
1870 H A -2.0829
1871 S A 0.0000
1872 G A -1.6225
1873 R A -1.1958
1874 T A 0.0000
1875 P A 0.0000
1876 L A 0.0000
1877 H A 0.0000
1878 T A 0.0000
1879 A A 0.0000
1880 V A 0.0000
1881 T A -0.5444
1882 A A -0.6840
1883 D A -1.8000
1884 A A 0.0000
1885 Q A -1.3791
1886 G A 0.0000
1887 V A 0.0000
1888 F A 0.0000
1889 Q A 0.0000
1890 I A 0.0000
1891 L A 0.0000
1892 I A 0.0000
1893 R A 0.0000
1894 N A -0.7303
1895 R A -1.4585
1896 S A -0.7073
1897 T A -0.9744
1898 D A 0.0000
1899 L A 0.0000
1900 D A -1.7930
1901 A A -1.4562
1902 R A -1.5339
1903 M A -1.0616
1904 A A -1.0459
1905 D A -2.1310
1906 G A -1.0345
1907 S A -0.7119
1908 T A 0.0000
1909 A A 0.0000
1910 L A 0.0000
1911 I A 0.0000
1912 L A 0.0000
1913 A A 0.0000
1914 A A 0.0000
1915 R A -0.2758
1916 L A 0.0000
1917 A A -0.9009
1918 V A 0.0000
1919 E A -2.7732
1920 G A 0.0000
1921 M A 0.0000
1922 V A 0.0000
1923 E A -1.6257
1924 E A -1.2015
1925 L A 0.0000
1926 I A -0.4304
1927 A A -0.4418
1928 S A -0.8348
1929 H A -1.5184
1930 A A -1.2810
1931 D A -1.3444
1932 V A 0.0000
1933 N A -2.0837
1934 A A -1.3546
1935 V A 0.0000
1936 D A 0.0000
1937 E A -2.2485
1938 L A -0.8480
1939 G A -1.2683
1940 K A -1.1169
1941 S A 0.0000
1942 A A 0.0000
1943 L A 0.0000
1944 H A 0.0000
1945 W A -0.1161
1946 A A 0.0000
1947 A A 0.0000
1948 A A 0.0000
1949 V A 0.0080
1950 N A -0.5965
1951 N A -0.4694
1952 V A -0.4764
1953 E A -1.3146
1954 A A 0.0000
1955 T A 0.0000
1956 L A -0.7284
1957 A A 0.0000
1958 L A 0.0000
1959 L A 0.0000
1960 K A -1.5242
1961 N A -1.0184
1962 G A -0.9908
1963 A A 0.0000
1964 N A -1.5856
1965 K A 0.0000
1966 D A -1.7489
1967 M A -0.9273
1968 Q A 0.0000
1969 D A -2.6731
1970 S A -2.1502
1971 K A -2.2488
1972 E A -3.0181
1973 E A -1.9756
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A -0.9075
1978 L A 0.0000
1979 A A 0.0000
1980 A A 0.0000
1981 R A -1.6239
1982 E A -0.9210
1983 G A 0.0000
1984 S A -0.6655
1985 Y A -0.4349
1986 E A -1.4362
1987 A A 0.0000
1988 A A 0.0000
1989 K A -0.9302
1990 L A 0.0000
1991 L A 0.0000
1992 L A 0.0000
1993 D A -0.3485
1994 H A 0.0000
1995 F A 0.3553
1996 A A 0.0000
1997 N A 0.0000
1998 R A 0.0000
1999 E A 0.0000
2000 I A 0.0000
2001 T A -2.1779
2002 D A -2.7332
2003 H A -2.4707
2004 L A -2.4332
2005 D A -3.4588
2006 R A -3.6912
2007 L A 0.0000
2008 P A 0.0000
2009 R A -2.6332
2010 D A -2.8827
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -3.1333
2014 E A -3.1466
2015 R A -2.6570
2016 L A -0.9051
2017 H A -1.5003
2018 Q A -2.2062
2019 D A -1.3902
2020 I A 0.0000
2021 V A -2.3078
2022 R A -3.1670
2023 L A 0.0000
2024 L A 0.0000
2025 D A -3.0236
2026 Q A -1.8827
2027 P A 0.0000
2028 S A -1.4188
2029 G A -1.1766
2030 P A -0.9704
2031 R A -1.5179
2032 S A -1.3101
2033 P A 0.0000
2034 P A -1.3290
2035 G A -1.0051
2036 P A 0.0000
2037 H A -0.9167
2038 G A -0.9418
2039 L A -0.2153
2040 G A -0.0880
2041 P A 0.3500
2042 L A 1.3214
2043 L A 1.2524
2044 C A 0.8028
2045 P A -0.0513
2046 P A -0.2529
2047 G A -0.4227
2048 A A 0.0000
2049 F A -0.6097
2050 L A 0.0000
2051 P A -1.0132
2052 G A -0.8554
2053 L A -0.6325
2054 K A -0.9292
2055 A A 0.0000
2056 A A -0.1459
2057 Q A -0.9020
2058 S A -1.0995
2059 G A -1.6073
2060 S A -1.7828
2061 K A -2.3699
2062 K A -2.1812
2063 S A -2.1888
2064 R A -3.2913
2065 R A -3.2592
2066 P A -2.1459
2067 P A 0.0000
2068 G A -1.8244
2069 K A -1.8847
2070 A A -0.8670
2071 G A -1.5739
2072 L A 0.0000
2073 G A -1.5581
2074 P A 0.0000
2075 Q A 0.0000
2076 G A 0.0428
2077 P A -0.5996
2078 R A -1.3321
2079 G A -1.2102
2080 R A 0.0000
2081 G A -1.1564
2082 K A -1.4859
2083 K A -1.4878
2084 L A 0.2578
2085 T A 0.5742
2086 L A 1.4975
2087 A A 0.8764
2088 C A 0.4275
2089 P A -0.0997
2090 G A -0.4787
2091 P A -0.3922
2092 L A 0.0154
2093 A A -0.1302
2094 D A 0.0000
2095 S A -0.0626
2096 S A 0.5291
2097 V A 1.8457
2098 T A 1.3391
2099 L A 1.6423
2100 S A 0.6494
2101 P A 0.0916
2102 V A 0.5165
2103 D A -0.5355
2104 S A 0.0000
2105 L A -0.6542
2106 D A -1.4593
2107 S A -0.9809
2108 P A -0.9307
2109 R A -1.1836
2110 P A -0.6203
2111 F A -0.2793
2112 G A -0.3480
2113 G A -0.6163
2114 P A -0.4850
2115 P A -0.6978
2116 A A -0.4144
2117 S A -1.1978
2118 P A -1.1299
2119 G A -0.9925
2120 G A -0.4949
2121 F A 0.6376
2122 P A 0.2158
2123 L A 0.0497
2124 E A -1.4621
2125 G A -1.2164
2126 P A -0.8957
2127 Y A -0.2913
2128 A A -0.1899
2129 A A -0.3073
2130 A A -0.7598
2131 T A -0.9445
2132 A A -1.6268
2133 T A -1.6645
2134 A A 0.0000
2135 V A 0.1536
2136 S A 0.0000
2137 L A 1.1236
2138 A A -0.4367
2139 Q A -0.5524
2140 L A 0.6118
2141 G A -0.3312
2142 G A -0.9294
2143 P A -1.3225
2144 G A -1.4244
2145 R A -1.6295
2146 A A -0.6217
2147 G A 0.0956
2148 L A 0.4152
2149 G A 0.2855
2150 R A 0.0554
2151 Q A -1.1610
2152 P A 0.0000
2153 P A -0.7111
2154 G A -0.4671
2155 G A -0.3543
2156 C A 0.0000
2157 V A 0.3622
2158 L A 1.1682
2159 S A 0.7495
2160 L A 1.8183
2161 G A 1.1532
2162 L A 2.0697
2163 L A 1.8046
2164 N A 0.0762
2165 P A 0.2916
2166 V A 0.9355
2167 A A 0.0000
2168 V A 0.6695
2169 P A 0.4326
2170 L A 0.1061
2171 D A -1.1200
2172 W A 0.3642
2173 A A 0.1204
2174 R A -0.5268
2175 L A 0.7671
2176 P A -0.0484
2177 P A -0.2947
2178 P A -0.4869
2179 A A -0.4306
2180 P A -0.2129
2181 P A -0.2261
2182 G A -0.5068
2183 P A -0.6806
2184 S A -0.0325
2185 F A 0.9372
2186 L A 1.9915
2187 L A 2.2316
2188 P A 0.7504
2189 L A 0.4535
2190 A A -0.4158
2191 P A -0.7195
2192 G A -0.6469
2193 P A -0.3567
2194 Q A 0.0376
2195 L A 1.7149
2196 L A 1.8504
2197 N A 0.5862
2198 P A -0.4986
2199 G A -0.5913
2200 T A -0.4468
2201 P A -0.3106
2202 V A -0.1257
2203 S A -0.6226
2204 P A -1.2629
2205 Q A -2.5156
2206 E A -3.0566
2207 R A -2.5075
2208 P A -1.3225
2209 P A -0.3869
2210 P A 0.2464
2211 Y A 1.1274
2212 L A 1.5707
2213 A A 0.2044
2214 V A -0.0638
2215 P A -0.8338
2216 G A -1.2747
2217 H A -1.5181
2218 G A -1.7298
2219 E A -2.7112
2220 E A 0.0000
2221 Y A 0.0000
2222 P A 0.6289
2223 A A 0.5660
2224 A A 0.0000
2225 G A 0.0000
2226 A A -0.3179
2227 H A -0.8541
2228 S A -0.7045
2229 S A -1.1485
2230 P A -0.8821
2231 P A -0.9551
2232 K A -1.2087
2233 A A -0.6528
2234 R A -0.5027
2235 F A 0.0650
2236 L A 0.1232
2237 R A -1.4168
2238 V A 0.0000
2239 P A -1.7655
2240 S A 0.0000
2241 E A -0.7398
2242 H A 0.0000
2243 P A 0.8843
2244 Y A 1.6625
2245 L A 1.9882
2246 T A 0.5179
2247 P A -0.2660
2248 S A -0.9846
2249 P A -1.3866
2250 E A -2.3743
2251 S A -1.7797
2252 P A -2.4470
2253 E A -4.0980
2254 H A 0.0000
2255 W A -2.1681
2256 A A -0.6667
2257 S A -0.0983
2258 P A -0.3812
2259 S A -0.3672
2260 P A -0.0904
2261 P A 0.0869
2262 S A 0.0000
2263 L A 0.8814
2264 S A 0.0000
2265 D A -1.3906
2266 W A -0.1250
2267 S A -0.9235
2268 E A -1.4423
2269 S A -1.0941
2270 T A -0.9090
2271 P A -0.6770
2272 S A -0.2902
2273 P A 0.1193
2274 A A -0.2222
2275 T A 0.3020
2276 A A 0.9913
2277 T A -0.0601
2278 G A -0.1544
2279 A A 0.6442
2280 M A 0.8081
2281 A A 0.3319
2282 T A 0.1675
2283 T A -0.0949
2284 T A -0.1056
2285 G A -0.5854
2286 A A -0.2111
2287 L A -0.1705
2288 P A -0.4139
2289 A A -0.4841
2290 Q A -0.9306
2291 P A -0.4780
2292 L A 0.2861
2293 P A 0.6410
2294 L A 1.8150
2295 S A 1.2543
2296 V A 1.2747
2297 P A 0.1403
2298 S A -0.5725
2299 S A -0.5848
2300 L A 0.0000
2301 A A -1.1090
2302 Q A -1.6560
2303 A A -1.3753
2304 Q A -1.5726
2305 T A -0.8207
2306 Q A -0.1516
2307 L A 1.1633
2308 G A 0.0151
2309 P A -0.4017
2310 Q A -2.0789
2311 P A -2.4912
2312 E A -2.7230
2313 V A -1.5911
2314 T A -1.0527
2315 P A -1.5982
2316 K A -3.1362
2317 R A -3.3189
2318 Q A -2.1754
2319 V A 0.0000
2320 L A 1.3233
2321 A A 0.5595
Download PDB file
View in 3Dmol

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, -0.622 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_2 -0.622 View CSV PDB
model_6 -0.6391 View CSV PDB
model_7 -0.6448 View CSV PDB
model_0 -0.6465 View CSV PDB
model_3 -0.6531 View CSV PDB
model_9 -0.6536 View CSV PDB
CABS_average -0.661 View CSV PDB
model_5 -0.6621 View CSV PDB
model_8 -0.6674 View CSV PDB
model_1 -0.6695 View CSV PDB
model_10 -0.6716 View CSV PDB
model_11 -0.695 View CSV PDB
model_4 -0.7071 View CSV PDB
input -0.7576 View CSV PDB