Project name: C76R_4D

Status: done

Started: 2026-05-10 08:17:45
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERRQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode Yes
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       CABS:     Running CABS flex simulation                                                (00:21:27)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (13:56:10)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (13:56:55)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (13:57:41)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (13:58:26)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (13:59:12)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (13:59:58)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (14:00:43)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (14:01:29)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (14:02:14)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (14:03:00)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (14:03:46)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (14:04:31)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (14:05:17)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (14:06:48)
[INFO]       Main:     Simulation completed successfully.                                          (14:07:32)
Show buried residues

Minimal score value
-5.0022
Maximal score value
6.3507
Average score
-0.5845
Total score value
-1356.6195

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 M A 1.0667
2 G A 0.1623
3 P A -0.4005
4 G A -0.5465
5 A A -0.8624
6 R A -1.5536
7 G A -2.0902
8 R A -3.9128
9 R A -4.7318
10 R A -4.8306
11 R A -5.0022
12 R A -4.2938
13 R A -3.3144
14 P A -1.3512
15 M A -0.3427
16 S A -0.8913
17 P A -2.0324
18 P A -2.7877
19 P A -1.3972
20 P A -1.1249
21 P A -0.9312
22 P A -1.0078
23 P A -0.5460
24 V A 0.6179
25 R A -1.0322
26 A A -0.3426
27 L A 0.3285
28 P A 0.0626
29 L A 0.4175
30 L A 0.6825
31 L A 0.4776
32 L A 0.7385
33 L A 0.0000
34 A A -0.2058
35 G A -0.8026
36 P A -0.5793
37 G A 0.0731
38 A A 0.4117
39 A A 0.4430
40 A A 0.0854
41 P A -0.6536
42 P A -0.6169
43 C A -0.3746
44 L A 0.3138
45 D A -1.5731
46 G A -1.3727
47 S A -0.4904
48 P A -0.8126
49 C A -0.8919
50 A A -0.9378
51 N A -1.6231
52 G A -1.1119
53 G A -1.2395
54 R A -1.8448
55 C A -0.4141
56 T A -0.2666
57 Q A -0.1671
58 L A 0.5972
59 P A 0.0218
60 S A -0.3668
61 R A -0.6165
62 E A -0.4608
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A 0.2805
67 C A 0.1919
68 P A -0.1170
69 P A -0.7140
70 G A -0.7177
71 W A -0.7767
72 V A 0.0000
73 G A 0.0000
74 E A -0.4293
75 R A -1.2881
76 R A -2.3341
77 Q A -1.2717
78 L A -1.0637
79 E A -1.8993
80 D A -1.5759
81 P A -0.8426
82 C A -0.8636
83 H A -1.2604
84 S A -0.9336
85 G A 0.0000
86 P A -0.8176
87 C A 0.0000
88 A A -0.9592
89 G A -1.8005
90 R A -2.5366
91 G A -1.5333
92 V A -0.2035
93 C A -0.1727
94 Q A -0.4375
95 S A -0.6728
96 S A 0.0000
97 V A 0.0000
98 V A 0.0546
99 A A -0.1684
100 G A -0.5971
101 T A -0.8005
102 A A -1.1533
103 R A -1.7272
104 F A -0.9744
105 S A -0.8816
106 C A -1.5484
107 R A -2.1449
108 C A -2.1217
109 P A -2.1924
110 R A -2.5487
111 G A -2.0316
112 F A 0.0000
113 R A 0.0000
114 G A -1.6439
115 P A -1.6849
116 D A -2.4156
117 C A 0.0000
118 S A -1.1617
119 L A -0.9792
120 P A -1.6264
121 D A -2.2153
122 P A 0.0000
123 C A 0.0000
124 L A -1.2240
125 S A 0.0000
126 S A -0.7056
127 P A -0.6206
128 C A -0.7148
129 A A -0.7219
130 H A -1.2643
131 G A -1.2290
132 A A -1.2961
133 R A -1.9289
134 C A 0.0000
135 S A -1.1102
136 V A 0.0000
137 G A 0.0000
138 P A -1.9291
139 D A -2.4582
140 G A -2.4378
141 R A -2.7363
142 F A 0.0000
143 L A -0.8491
144 C A 0.0000
145 S A -0.8740
146 C A -1.3605
147 P A -1.2821
148 P A -0.6244
149 G A -1.0032
150 Y A 0.0000
151 Q A -1.4875
152 G A 0.0000
153 R A 0.0000
154 S A 0.1552
155 C A 0.0000
156 R A -2.3433
157 S A -1.7683
158 D A -2.2600
159 V A -1.2599
160 D A -2.1251
161 E A -1.2199
162 C A -0.5926
163 R A -1.3309
164 V A 0.6143
165 G A -0.5156
166 E A -1.4907
167 P A -1.8858
168 C A -2.4602
169 R A -2.8725
170 H A -2.1371
171 G A -1.7476
172 G A -1.6255
173 T A -0.7447
174 C A -0.4411
175 L A 0.0543
176 N A -1.4427
177 T A -1.2195
178 P A -1.6290
179 G A -1.5008
180 S A -1.0490
181 F A 0.0000
182 R A -1.9125
183 C A 0.0000
184 Q A -1.5853
185 C A -1.5832
186 P A 0.0000
187 A A 0.1119
188 G A -0.1371
189 Y A 0.0000
190 T A -1.1306
191 G A -1.0914
192 P A -0.6737
193 L A 0.2490
194 C A 0.0000
195 E A -2.4534
196 N A -1.7005
197 P A -0.5595
198 A A -0.1267
199 V A 1.3105
200 P A 0.9519
201 C A 0.6584
202 A A 0.1029
203 P A -0.3621
204 S A 0.0000
205 P A -0.9321
206 C A -0.9279
207 R A -1.8084
208 N A -1.3982
209 G A -1.0395
210 G A -0.9498
211 T A -0.8437
212 C A -1.4258
213 R A -2.4358
214 Q A -1.5444
215 S A -1.5210
216 G A -1.3914
217 D A -1.3483
218 L A 0.3031
219 T A -0.3494
220 Y A -1.0101
221 D A 0.0000
222 C A 0.0000
223 A A -0.9961
224 C A 0.0000
225 L A 1.4316
226 P A 0.7916
227 G A 0.6523
228 F A 1.6092
229 E A -1.0140
230 G A -2.0381
231 Q A -2.4988
232 N A -2.6439
233 C A 0.0000
234 E A -2.0715
235 V A 0.0292
236 N A 0.0000
237 V A 1.0520
238 D A -0.2266
239 D A -1.6969
240 C A -0.5360
241 P A -0.7645
242 G A -0.9787
243 H A -0.7873
244 R A -0.4828
245 C A -0.2870
246 L A -0.0318
247 N A -1.0910
248 G A -0.8868
249 G A -0.5604
250 T A -0.4602
251 C A 0.3055
252 V A -0.1630
253 D A -1.2939
254 G A -0.6310
255 V A -0.0304
256 N A -1.0550
257 T A -0.5754
258 Y A 0.0781
259 N A -0.3297
260 C A 0.0000
261 Q A -0.4082
262 C A 0.0000
263 P A -0.6804
264 P A -0.6081
265 E A -1.1245
266 W A 0.0000
267 T A -0.5110
268 G A 0.0495
269 Q A 0.5764
270 F A 1.5701
271 C A 1.1181
272 T A 0.2478
273 E A -1.0349
274 D A -1.1281
275 V A 0.0000
276 D A -1.2415
277 E A 0.0000
278 C A -0.8580
279 Q A -1.2110
280 L A -1.0311
281 Q A -1.1046
282 P A -1.3494
283 N A -1.2099
284 A A -0.5417
285 C A -0.6298
286 H A 0.0000
287 N A 0.0000
288 G A 0.0000
289 G A -0.0699
290 T A 0.1508
291 C A -0.4233
292 F A 0.0000
293 N A 0.0000
294 T A 0.0000
295 L A -0.6306
296 G A -0.5031
297 G A -0.8373
298 H A -1.1956
299 S A 0.0000
300 C A 0.0000
301 V A -0.1512
302 C A 0.5645
303 V A 1.6472
304 N A 0.5718
305 G A 0.0000
306 W A -0.3572
307 T A -0.5977
308 G A -0.8198
309 E A -2.1245
310 S A -1.2116
311 C A 0.0000
312 S A -0.7746
313 Q A -0.8905
314 N A -1.9538
315 I A 0.0000
316 D A -2.4414
317 D A -1.7550
318 C A 0.0000
319 A A -0.8827
320 T A -0.2154
321 A A -0.0065
322 V A -0.3229
323 C A 0.0000
324 F A 0.0000
325 H A -2.2501
326 G A -1.9119
327 A A -1.5340
328 T A -1.0091
329 C A 0.0000
330 H A -0.8399
331 D A 0.0000
332 R A -0.4690
333 V A -0.2054
334 A A -0.0982
335 S A -0.4759
336 F A -0.3697
337 Y A 0.0000
338 C A 0.0000
339 A A 0.0507
340 C A -0.6548
341 P A -0.8563
342 M A -1.1488
343 G A -1.7276
344 K A -2.7565
345 T A 0.0000
346 G A 0.0000
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A -1.2880
351 L A -1.6795
352 D A -2.7670
353 D A -1.8313
354 A A 0.0000
355 C A 0.0000
356 V A -0.5278
357 S A -0.5191
358 N A 0.0000
359 P A -0.5728
360 C A 0.0000
361 H A 0.0000
362 E A -2.3527
363 D A -2.0422
364 A A 0.0000
365 I A -0.5103
366 C A 0.0000
367 D A -0.0621
368 T A 0.0000
369 N A 0.0000
370 P A 0.0000
371 V A 0.0000
372 N A -1.1152
373 G A 0.0000
374 R A -0.8571
375 A A 0.0000
376 I A 0.0958
377 C A 0.0000
378 T A -0.1922
379 C A 0.0000
380 P A -0.5727
381 P A -0.8249
382 G A 0.0000
383 F A 0.0000
384 T A -0.7672
385 G A -0.7505
386 G A -0.6895
387 A A -0.4375
388 C A 0.0000
389 D A -0.8046
390 Q A -0.4332
391 D A 0.0000
392 V A 0.0000
393 D A 0.0705
394 E A 0.0000
395 C A 0.5982
396 S A 0.0000
397 I A 0.0000
398 G A -0.2555
399 A A -0.3818
400 N A -1.4580
401 P A -0.8887
402 C A -1.3459
403 E A -2.1543
404 H A -1.6463
405 L A 0.0000
406 G A -0.8978
407 R A -0.6012
408 C A 0.0000
409 V A 0.0000
410 N A 0.0000
411 T A 0.0000
412 Q A 0.0000
413 G A -0.4577
414 S A -0.4412
415 F A -0.2476
416 L A 0.0000
417 C A 0.0000
418 Q A 0.0000
419 C A 0.0000
420 G A 0.0000
421 R A 0.0000
422 G A -0.0400
423 Y A -0.5659
424 T A 0.0000
425 G A 0.0000
426 P A -1.6990
427 R A -2.2387
428 C A -2.0293
429 E A -2.7051
430 T A -1.7096
431 D A -1.3636
432 V A -0.2363
433 N A -0.3483
434 E A -0.5255
435 C A 0.2205
436 L A 1.1237
437 S A 0.5496
438 G A 0.1782
439 P A -0.8980
440 C A -1.5260
441 R A -2.5000
442 N A -1.8263
443 Q A -1.5080
444 A A -0.3033
445 T A 0.5871
446 C A 0.7213
447 L A 0.0923
448 D A -1.5636
449 R A -1.8105
450 I A -0.7592
451 G A -0.4592
452 Q A -1.3486
453 F A -0.8586
454 T A 0.0000
455 C A 0.0000
456 I A 1.3727
457 C A 0.0674
458 M A 0.3449
459 A A 0.3663
460 G A 0.6298
461 F A 0.0000
462 T A 0.6347
463 G A 0.4422
464 T A 0.5129
465 Y A 0.4074
466 C A 0.0000
467 E A -1.5834
468 V A -0.1626
469 D A -0.0278
470 I A 0.9878
471 D A -0.8051
472 E A -0.6622
473 C A -0.6044
474 Q A -1.3246
475 S A -0.9379
476 S A -0.4283
477 P A 0.2315
478 C A 0.6664
479 V A 1.1527
480 N A -0.5145
481 G A -0.5787
482 G A 0.2111
483 V A 1.2615
484 C A 0.2021
485 K A -0.8156
486 D A -1.1565
487 R A -0.8347
488 V A 0.3918
489 N A -0.0496
490 G A 0.2012
491 F A 0.7603
492 S A 0.1828
493 C A 0.0000
494 T A 0.7459
495 C A 0.0000
496 P A 0.0110
497 S A -0.0615
498 G A 0.1883
499 F A 1.2730
500 S A 0.2110
501 G A -0.0473
502 S A -0.1801
503 T A 0.2254
504 C A -0.0037
505 Q A -0.6561
506 L A 0.3953
507 D A -0.1104
508 V A 0.3938
509 D A -1.4566
510 E A -2.2289
511 C A -0.7951
512 A A -0.4584
513 S A -0.3701
514 T A -0.3399
515 P A -0.7224
516 C A -0.7789
517 R A 0.0000
518 N A -1.3836
519 G A -1.2916
520 A A -1.7603
521 K A -2.3186
522 C A -1.2739
523 V A -1.1738
524 D A -1.9922
525 Q A -2.1412
526 P A -1.8710
527 D A -2.7262
528 G A -1.9700
529 Y A -1.5037
530 E A -1.8570
531 C A 0.0000
532 R A -2.1791
533 C A 0.0000
534 A A -1.2702
535 E A -1.6156
536 G A 0.0000
537 F A 0.2056
538 E A -0.9813
539 G A -0.8377
540 T A -0.5358
541 L A 0.1859
542 C A -1.0078
543 D A -2.1895
544 R A -2.1514
545 N A -1.5951
546 V A -1.4099
547 D A -2.5690
548 D A -2.3612
549 C A -1.0531
550 S A -1.4405
551 P A -1.9033
552 D A -2.6286
553 P A -1.6335
554 C A -1.7596
555 H A -1.7747
556 H A -1.6438
557 G A -1.3988
558 R A -1.6755
559 C A -0.6354
560 V A 0.3311
561 D A -0.3144
562 G A 0.1984
563 I A 0.8555
564 A A 0.0000
565 S A -0.4876
566 F A -0.1060
567 S A -0.3969
568 C A 0.0000
569 A A -0.5233
570 C A -1.2129
571 A A -1.0042
572 P A -0.7491
573 G A -1.4039
574 Y A 0.0000
575 T A -1.3364
576 G A -1.4134
577 T A -1.6411
578 R A -3.0433
579 C A 0.0000
580 E A -3.0214
581 S A -1.8905
582 Q A -1.4255
583 V A -1.7734
584 D A -2.7716
585 E A -1.7206
586 C A -1.0493
587 R A -2.4163
588 S A -1.7527
589 Q A -1.2749
590 P A -0.7503
591 C A -1.2338
592 R A -1.8661
593 H A -1.9697
594 G A -2.0913
595 G A -2.3014
596 K A -2.3939
597 C A -1.0082
598 L A -0.1720
599 D A -0.6323
600 L A 1.1098
601 V A 0.5978
602 D A -1.7435
603 K A -1.2230
604 Y A -0.3259
605 L A 0.0125
606 C A 0.0000
607 R A -1.6684
608 C A 0.0000
609 P A -1.0700
610 S A -0.6394
611 G A -0.4396
612 T A -0.0073
613 T A 0.1981
614 G A -0.2725
615 V A 0.0536
616 N A -0.3185
617 C A 0.0000
618 E A 0.0000
619 V A 0.8112
620 N A 0.0000
621 I A 0.3625
622 D A -1.5176
623 D A -1.7249
624 C A -0.7361
625 A A -0.9445
626 S A -1.1338
627 N A -1.0722
628 P A -0.0553
629 C A 0.5934
630 T A 0.8233
631 F A 1.8414
632 G A 1.3820
633 V A 1.3297
634 C A -0.1471
635 R A -1.7370
636 D A -1.8639
637 G A -0.7895
638 I A -0.1992
639 N A -1.6930
640 R A -2.6602
641 Y A -1.9847
642 D A -1.3947
643 C A -0.4072
644 V A 0.6118
645 C A 0.0000
646 Q A -0.1382
647 P A -1.0461
648 G A 0.0000
649 F A 0.2229
650 T A 0.0708
651 G A -0.0918
652 P A 0.2610
653 L A 0.9562
654 C A 0.2994
655 N A -0.2982
656 V A 0.3131
657 E A -1.4020
658 I A -1.2130
659 N A -2.4491
660 E A -1.8265
661 C A -0.7261
662 A A -0.1328
663 S A -0.1816
664 S A -0.7585
665 P A -0.7029
666 C A 0.0000
667 G A -1.9801
668 E A -2.4166
669 G A -1.6774
670 G A -1.2902
671 S A -0.4413
672 C A -0.3359
673 V A -0.7769
674 D A -2.6031
675 G A -2.5217
676 E A -3.2125
677 N A -2.3083
678 G A -1.7546
679 F A -1.3572
680 R A -1.6315
681 C A -0.4319
682 L A 0.4124
683 C A 0.0000
684 P A -0.3729
685 P A -0.6856
686 G A -0.8004
687 S A -0.2417
688 L A 0.5026
689 P A 0.1289
690 P A 0.7124
691 L A 1.7713
692 C A 1.7649
693 L A 1.7096
694 P A 0.2522
695 P A -0.5413
696 S A -0.6240
697 H A -0.9268
698 P A -0.1927
699 C A -0.4810
700 A A -1.1808
701 H A -2.4595
702 E A -2.8704
703 P A -2.0287
704 C A -1.3722
705 S A -1.1237
706 H A -1.0539
707 G A 0.3458
708 I A 1.8538
709 C A 1.3390
710 Y A 0.6871
711 D A -1.3318
712 A A -1.0909
713 P A -1.2303
714 G A -1.1787
715 G A -1.0202
716 F A -0.9535
717 R A -1.3832
718 C A 0.0000
719 V A 0.8591
720 C A 0.0000
721 E A -0.8583
722 P A -0.2939
723 G A -0.1916
724 W A 0.5579
725 S A -0.3104
726 G A -0.7240
727 P A -1.5893
728 R A -2.7783
729 C A 0.0000
730 S A -1.3708
731 Q A -0.7934
732 S A 0.1451
733 L A 0.9164
734 A A -0.6550
735 R A -2.3563
736 D A -2.4347
737 A A -0.9410
738 C A -0.6644
739 E A -0.8266
740 S A -1.2101
741 Q A -2.1330
742 P A -1.9684
743 C A -1.7978
744 R A -2.0892
745 A A -1.1732
746 G A -1.0364
747 G A -1.3019
748 T A -1.1489
749 C A 0.0000
750 S A -1.3485
751 S A -1.3603
752 D A -1.7285
753 G A -1.1701
754 M A -0.0380
755 G A -0.5269
756 F A -1.0702
757 H A -1.3587
758 C A 0.0000
759 T A -0.7575
760 C A -0.4819
761 P A -0.4904
762 P A -0.2834
763 G A -0.1944
764 V A 0.0758
765 Q A -0.8286
766 G A -1.2778
767 R A -2.0134
768 Q A -1.9556
769 C A 0.0000
770 E A -1.8856
771 L A -0.5401
772 L A 0.5188
773 S A 0.1911
774 P A 0.1719
775 C A 0.4507
776 T A -0.3192
777 P A -0.8305
778 N A -0.6903
779 P A -0.7435
780 C A 0.0000
781 E A -1.5524
782 H A 0.0000
783 G A -1.0664
784 G A -1.1133
785 R A -1.1268
786 C A 0.0000
787 E A -0.5389
788 S A -0.1769
789 A A -0.1653
790 P A -0.4610
791 G A -0.6314
792 Q A -0.5805
793 L A 0.3198
794 P A -0.2645
795 V A 0.0017
796 C A 0.0000
797 S A -0.9046
798 C A 0.0000
799 P A -0.9573
800 Q A 0.0000
801 G A -0.9383
802 W A -0.9843
803 Q A -1.4123
804 G A -1.1587
805 P A -1.4972
806 R A -1.7087
807 C A -1.3751
808 Q A -1.8551
809 Q A -2.0404
810 D A -1.0496
811 V A -0.3009
812 D A -0.8466
813 E A -1.6367
814 C A 0.0000
815 A A -0.9270
816 G A -0.9837
817 P A -0.7976
818 A A -0.4901
819 P A -0.8417
820 C A -0.8161
821 G A -1.0364
822 P A -0.8509
823 H A -0.9765
824 G A 0.0904
825 I A 1.6774
826 C A 0.7334
827 T A 0.4289
828 N A 0.2205
829 L A 0.8359
830 A A 0.1436
831 G A 0.0000
832 S A 0.0000
833 F A 0.0000
834 S A -0.1843
835 C A 0.0000
836 T A 0.2671
837 C A -0.2044
838 H A -0.4805
839 G A -0.2546
840 G A 0.0000
841 Y A 0.3535
842 T A -0.3370
843 G A 0.0000
844 P A -0.2290
845 S A -0.5802
846 C A 0.0000
847 D A -0.6388
848 Q A -0.8414
849 D A -0.8714
850 I A 0.2449
851 N A -0.6955
852 D A -0.1601
853 C A 0.0400
854 D A -0.4118
855 P A 0.0658
856 N A 0.0000
857 P A 0.1401
858 C A -0.2175
859 L A 0.0000
860 N A 0.0000
861 G A -0.2409
862 G A -0.2209
863 S A -0.5332
864 C A -0.5731
865 Q A -1.1937
866 D A -1.2164
867 G A 0.0400
868 V A 1.1765
869 G A 0.3294
870 S A 0.3977
871 F A 0.9692
872 S A -0.2076
873 C A 0.0000
874 S A -0.2556
875 C A 0.0000
876 L A 0.6705
877 P A 0.1877
878 G A -0.3781
879 F A -0.4696
880 A A 0.0000
881 G A -0.7777
882 P A -0.8855
883 R A -1.6954
884 C A -1.1493
885 A A -0.9765
886 R A -1.4831
887 D A -2.6601
888 V A -2.0498
889 D A -2.6775
890 E A -1.8413
891 C A -0.2209
892 L A 0.4484
893 S A -0.2727
894 N A -0.5356
895 P A -0.3543
896 C A -0.2335
897 G A -0.6617
898 P A -0.7729
899 G A -0.7592
900 T A -0.1584
901 C A 0.1824
902 T A 0.0000
903 D A -0.9795
904 H A 0.0000
905 V A 0.0000
906 A A -0.6585
907 S A 0.0000
908 F A 0.0000
909 T A 0.0000
910 C A 0.0000
911 T A -0.0578
912 C A 0.0000
913 P A -0.5689
914 P A -0.8144
915 G A -0.6201
916 Y A -0.4298
917 G A 0.0000
918 G A 0.0000
919 F A 0.0000
920 H A 0.0000
921 C A -0.7458
922 E A -1.6165
923 Q A -1.6784
924 D A -0.9063
925 L A -0.0041
926 P A -0.0106
927 D A 0.0000
928 C A 0.0000
929 S A -0.2255
930 P A 0.0438
931 S A 0.0000
932 S A 0.0000
933 C A 0.0000
934 F A 0.0000
935 N A -1.0656
936 G A -1.3352
937 G A -0.5659
938 T A -0.3410
939 C A 0.0000
940 V A 0.0000
941 D A -0.5113
942 G A -0.0778
943 V A 0.8658
944 N A -0.5230
945 S A -0.1736
946 F A 0.3510
947 S A 0.1047
948 C A 0.0000
949 L A -0.0874
950 C A 0.0000
951 R A -2.4434
952 P A -1.6611
953 G A -2.2078
954 Y A -2.0270
955 T A 0.0000
956 G A -0.5569
957 A A 0.0000
958 H A 0.0000
959 C A 0.0000
960 Q A 0.0000
961 H A -1.4605
962 E A -2.9008
963 A A -2.3214
964 D A -2.1236
965 P A -0.9179
966 C A 0.0595
967 L A -0.2234
968 S A -0.7948
969 R A -1.7034
970 P A -0.9358
971 C A 0.0000
972 L A -0.1914
973 H A -0.8391
974 G A -0.9540
975 G A -0.9948
976 V A 0.0000
977 C A -0.4286
978 S A -0.3105
979 A A -0.2010
980 A A -0.2341
981 H A -0.9124
982 P A -1.1432
983 G A -0.6004
984 F A 0.1191
985 R A -1.2270
986 C A 0.0000
987 T A 0.0000
988 C A 0.0000
989 L A 0.4965
990 E A 0.2332
991 S A 0.3449
992 F A 0.3893
993 T A -0.2622
994 G A -0.6042
995 P A -0.7590
996 Q A -1.5918
997 C A -0.8429
998 Q A -0.5125
999 T A -0.5431
1000 L A -0.0032
1001 V A -0.2100
1002 D A -1.3189
1003 W A -0.0513
1004 C A -0.5646
1005 S A -1.0296
1006 R A -1.0276
1007 Q A -1.1297
1008 P A -1.0032
1009 C A 0.0000
1010 Q A -2.0670
1011 N A -2.0874
1012 G A -1.6157
1013 G A -1.4882
1014 R A -1.6940
1015 C A -0.3606
1016 V A -0.0035
1017 Q A -0.9049
1018 T A -0.2802
1019 G A 0.0144
1020 A A 0.5100
1021 Y A 1.3549
1022 C A 0.7339
1023 L A 1.2469
1024 C A -0.1346
1025 P A 0.0000
1026 P A -0.2433
1027 G A -0.2397
1028 W A 0.3950
1029 S A 0.0000
1030 G A 0.1306
1031 R A -0.2478
1032 L A -0.0187
1033 C A 0.0000
1034 D A -0.3949
1035 I A 0.1603
1036 R A -0.0169
1037 S A 0.0170
1038 L A -0.3790
1039 P A -1.8872
1040 C A 0.0000
1041 R A -2.9647
1042 E A -2.2782
1043 A A 0.0000
1044 A A 0.0000
1045 A A -1.4292
1046 Q A -1.2570
1047 I A -0.1331
1048 G A -0.1893
1049 V A -0.3249
1050 R A -1.9697
1051 L A -1.6715
1052 E A -2.6451
1053 Q A 0.0000
1054 L A 0.0000
1055 C A -0.9897
1056 Q A -2.1086
1057 A A -1.1953
1058 G A -1.3371
1059 G A -1.5717
1060 Q A -1.7145
1061 C A -1.4078
1062 V A -1.4569
1063 D A -3.2847
1064 E A -3.4757
1065 D A -3.2211
1066 S A -2.0099
1067 S A 0.0000
1068 H A 0.0000
1069 Y A -0.6666
1070 C A 0.0000
1071 V A -0.7649
1072 C A -1.1883
1073 P A -1.6125
1074 E A -2.2897
1075 G A -1.5732
1076 R A -1.7234
1077 T A 0.0000
1078 G A 0.0000
1079 S A 0.0000
1080 H A -0.9097
1081 C A -1.3967
1082 E A -2.1889
1083 Q A -1.5268
1084 E A -0.9781
1085 V A 0.1680
1086 D A 0.0000
1087 P A 0.2977
1088 C A 0.7119
1089 L A 0.4087
1090 A A -0.0356
1091 Q A -0.4219
1092 P A -0.0967
1093 C A 0.2427
1094 Q A 0.0000
1095 H A -0.6469
1096 G A -0.0264
1097 G A -0.3585
1098 T A -0.4140
1099 C A -0.2368
1100 R A -0.7030
1101 G A 0.2054
1102 Y A 1.4406
1103 M A 1.3376
1104 G A 0.5020
1105 G A 0.1543
1106 Y A 0.4728
1107 M A 0.4027
1108 C A 0.1030
1109 E A -0.0545
1110 C A 0.3320
1111 L A 1.2229
1112 P A -0.3622
1113 G A -1.0749
1114 Y A -0.5333
1115 N A -2.0607
1116 G A -2.1955
1117 D A -2.9104
1118 N A -2.7363
1119 C A 0.0000
1120 E A -2.9565
1121 D A -2.2399
1122 D A -1.4231
1123 V A 0.0000
1124 D A -1.5364
1125 E A -2.0380
1126 C A -0.8032
1127 A A -0.6921
1128 S A -0.7718
1129 Q A 0.0000
1130 P A 0.0626
1131 C A -0.3161
1132 Q A -0.8173
1133 H A -0.9490
1134 G A -0.9701
1135 G A -0.9921
1136 S A 0.0000
1137 C A 0.0000
1138 I A 0.0000
1139 D A -1.2688
1140 L A 0.0000
1141 V A 0.3363
1142 A A -0.5641
1143 R A -0.8718
1144 Y A 0.0000
1145 L A 0.0000
1146 C A 0.0000
1147 S A 0.0000
1148 C A -0.2632
1149 P A -0.4175
1150 P A -0.6669
1151 G A 0.0000
1152 T A 0.0000
1153 L A 0.0000
1154 G A 0.0000
1155 V A 0.0000
1156 L A 0.0000
1157 C A 0.0000
1158 E A -0.4231
1159 I A -0.3374
1160 N A -1.3282
1161 E A -2.6908
1162 D A -2.2718
1163 D A -2.2528
1164 C A -0.8533
1165 G A -0.8334
1166 P A -0.6427
1167 G A -0.6440
1168 P A 0.0000
1169 P A -1.1939
1170 L A 0.0000
1171 D A -2.1699
1172 S A -1.3356
1173 G A -1.1060
1174 P A -1.2047
1175 R A -0.9809
1176 C A -0.3044
1177 L A -0.0809
1178 H A -1.2510
1179 N A -1.6060
1180 G A -1.1970
1181 T A -0.9719
1182 C A 0.0000
1183 V A 0.0000
1184 D A -1.0843
1185 L A 0.0000
1186 V A -0.3561
1187 G A -0.4691
1188 G A -0.6835
1189 F A 0.0000
1190 R A -0.7408
1191 C A 0.0000
1192 T A -0.7538
1193 C A -0.5952
1194 P A -0.5512
1195 P A -0.4672
1196 G A -0.3771
1197 Y A 0.0714
1198 T A 0.0000
1199 G A 0.0000
1200 L A 0.0607
1201 R A 0.0000
1202 C A 0.0000
1203 E A 0.0000
1204 A A 0.0000
1205 D A 0.0000
1206 I A -0.0197
1207 N A 0.0000
1208 E A 0.0000
1209 C A 0.0000
1210 R A -0.5954
1211 S A -0.5401
1212 G A -0.5277
1213 A A -0.4173
1214 C A 0.0000
1215 H A -0.8765
1216 A A -0.5792
1217 A A -0.0693
1218 H A -0.2667
1219 T A 0.0000
1220 R A 0.0000
1221 D A 0.0000
1222 C A 0.0000
1223 L A -0.5677
1224 Q A -1.4024
1225 D A -2.3375
1226 P A -1.1380
1227 G A -0.8282
1228 G A -1.1700
1229 G A -1.1943
1230 F A -1.5867
1231 R A -2.2493
1232 C A 0.0000
1233 L A 0.1493
1234 C A 0.0000
1235 H A 0.1170
1236 A A 0.1131
1237 G A 0.1802
1238 F A 0.0000
1239 S A 0.0000
1240 G A -0.8307
1241 P A -1.5356
1242 R A -2.4143
1243 C A 0.0000
1244 Q A -1.2409
1245 T A 0.0328
1246 V A 1.1546
1247 L A 1.6849
1248 S A 0.5269
1249 P A -0.4058
1250 C A -1.0149
1251 E A -2.2846
1252 S A -1.5337
1253 Q A -1.2878
1254 P A -1.5797
1255 C A 0.0000
1256 Q A -1.3943
1257 H A -1.0585
1258 G A -1.3654
1259 G A -2.0289
1260 Q A -2.3725
1261 C A -2.3134
1262 R A -2.6585
1263 P A -1.6003
1264 S A -0.5987
1265 P A -0.1424
1266 G A -0.3734
1267 P A -0.5354
1268 G A -0.7286
1269 G A -0.6173
1270 G A -0.1663
1271 L A -0.3507
1272 T A -0.5437
1273 F A 0.0000
1274 T A -1.7008
1275 C A -1.8466
1276 H A -2.1034
1277 C A 0.0000
1278 A A -0.9440
1279 Q A -0.7519
1280 P A 0.0000
1281 F A 0.0000
1282 W A -1.2696
1283 G A 0.0000
1284 P A -1.6866
1285 R A -2.6564
1286 C A 0.0000
1287 E A -2.9982
1288 R A -2.3309
1289 V A 0.0000
1290 A A -0.2896
1291 R A -0.7134
1292 S A -0.7440
1293 C A 0.0000
1294 R A -0.9246
1295 E A -0.7747
1296 L A 0.0000
1297 Q A -1.2565
1298 C A -0.4599
1299 P A -0.1649
1300 V A 0.5989
1301 G A 0.7185
1302 V A 1.4184
1303 P A 0.4698
1304 C A -0.2420
1305 Q A -1.1022
1306 Q A 0.0000
1307 T A -0.8654
1308 P A -0.8145
1309 R A -1.1728
1310 G A 0.0000
1311 P A 0.0000
1312 R A -1.1404
1313 C A 0.0000
1314 A A 0.1844
1315 C A 0.0000
1316 P A -0.1380
1317 P A -0.3834
1318 G A -0.1347
1319 L A 0.4659
1320 S A -0.1144
1321 G A -0.4574
1322 P A -0.4882
1323 S A 0.0000
1324 C A -1.1147
1325 R A -1.8707
1326 S A -0.9835
1327 F A -0.2370
1328 P A -0.5442
1329 G A -0.6803
1330 S A -0.4494
1331 P A -0.3798
1332 P A -0.4247
1333 G A -0.6036
1334 A A -0.5537
1335 S A -1.0794
1336 N A -1.6849
1337 A A -1.1191
1338 S A 0.0000
1339 C A -0.7589
1340 A A -0.4409
1341 A A 0.0000
1342 A A 0.0000
1343 P A 0.0125
1344 C A 0.0690
1345 L A 0.1728
1346 H A -0.9639
1347 G A -0.7851
1348 G A -0.6858
1349 S A -0.9719
1350 C A -1.4651
1351 R A -2.4555
1352 P A -1.3888
1353 A A -0.5978
1354 P A -0.1768
1355 L A 0.1161
1356 A A 0.0000
1357 P A 0.0000
1358 F A 0.7356
1359 F A 0.0000
1360 R A -1.9741
1361 C A -1.2292
1362 A A -0.7844
1363 C A -0.5970
1364 A A -0.7074
1365 Q A -1.3997
1366 G A -0.9666
1367 W A -0.4467
1368 T A -0.9048
1369 G A -1.2669
1370 P A -1.0322
1371 R A 0.0000
1372 C A 0.0000
1373 E A 0.0000
1374 A A 0.0000
1375 P A -0.2157
1376 A A -0.1842
1377 A A -0.1525
1378 A A -0.2986
1379 P A -0.5988
1380 E A -1.3035
1381 V A -0.0012
1382 S A -1.0805
1383 E A -1.3919
1384 E A -2.4680
1385 P A -1.7271
1386 R A -2.4480
1387 C A -1.6958
1388 P A -1.9276
1389 R A -2.4681
1390 A A -1.3705
1391 A A -1.4559
1392 C A 0.0000
1393 Q A -2.3944
1394 A A -1.8111
1395 K A -2.3176
1396 R A -2.8163
1397 G A -2.5529
1398 D A -2.3593
1399 Q A 0.0000
1400 R A -2.0592
1401 C A 0.0000
1402 D A -2.5014
1403 R A 0.0000
1404 E A -1.3972
1405 C A -1.0872
1406 N A 0.0000
1407 S A 0.0000
1408 P A 0.0000
1409 G A -1.4227
1410 C A 0.0000
1411 G A -1.2284
1412 W A 0.0000
1413 D A 0.0000
1414 G A -1.7667
1415 G A -1.5201
1416 D A -1.2141
1417 C A 0.0000
1418 S A 0.0000
1419 L A 0.5633
1420 S A -0.3944
1421 V A 0.0000
1422 G A 0.0000
1423 D A -2.4697
1424 P A -1.9843
1425 W A 0.0000
1426 R A -3.3685
1427 Q A -2.5134
1428 C A 0.0000
1429 E A -3.0643
1430 A A -1.1188
1431 L A -0.3769
1432 Q A -0.6920
1433 C A 0.0000
1434 W A 0.0000
1435 R A -1.0548
1436 L A 0.0000
1437 F A 0.0000
1438 N A 0.0000
1439 N A -1.9825
1440 S A -1.6646
1441 R A -2.2867
1442 C A -1.7517
1443 D A -2.1990
1444 P A -1.4089
1445 A A -0.9021
1446 C A 0.0000
1447 S A -1.0970
1448 S A -0.7177
1449 P A -0.8734
1450 A A -1.3364
1451 C A 0.0000
1452 L A 0.0000
1453 Y A 0.0000
1454 D A 0.0000
1455 N A -0.9048
1456 F A 0.0845
1457 D A -0.5884
1458 C A -0.9201
1459 H A -1.5299
1460 A A -1.3306
1461 G A -2.0588
1462 G A -2.4673
1463 R A -3.5173
1464 E A -3.5329
1465 R A -2.8762
1466 T A -1.8754
1467 C A -0.8596
1468 N A -1.0775
1469 P A -0.0676
1470 V A 1.0884
1471 Y A 0.9521
1472 E A -0.0325
1473 K A -0.6924
1474 Y A 0.6171
1475 C A 0.0000
1476 A A 0.0000
1477 D A -1.7070
1478 H A -1.1344
1479 F A -0.2450
1480 A A 0.0000
1481 D A -2.0635
1482 G A -1.6192
1483 R A -1.7473
1484 C A -1.4171
1485 D A -2.1266
1486 Q A -1.9811
1487 G A -1.6569
1488 C A 0.0000
1489 N A 0.0000
1490 T A 0.0000
1491 E A 0.0000
1492 E A -0.7689
1493 C A 0.0000
1494 G A 0.0000
1495 W A -0.2557
1496 D A 0.0000
1497 G A -0.4315
1498 L A 0.0000
1499 D A -1.0987
1500 C A 0.0000
1501 A A -0.2827
1502 S A -0.8394
1503 E A -1.6134
1504 V A -0.0934
1505 P A -0.1486
1506 A A 0.0000
1507 L A 0.4459
1508 L A 0.4401
1509 A A -0.4724
1510 R A -0.9711
1511 G A -0.9431
1512 V A 0.0000
1513 L A 0.0000
1514 V A 0.0000
1515 L A 0.2437
1516 T A 0.0000
1517 V A 0.0000
1518 L A 1.3132
1519 L A 0.3050
1520 P A 0.0937
1521 P A -0.0770
1522 E A -1.8083
1523 E A -1.6199
1524 L A 0.0000
1525 L A 0.1641
1526 R A -2.0120
1527 S A 0.0000
1528 S A -0.5312
1529 A A -0.5621
1530 D A 0.0000
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 -0.0256
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 -0.1572
1545 F A 0.0000
1546 R A -1.1192
1547 L A -1.4946
1548 D A -2.1871
1549 A A -1.4744
1550 H A -1.9795
1551 G A -1.8342
1552 Q A -2.0041
1553 A A -0.4230
1554 M A 0.6873
1555 V A 1.1887
1556 F A 1.9637
1557 P A 1.4842
1558 Y A 1.3758
1559 H A 0.7466
1560 R A 0.0000
1561 P A -0.9986
1562 S A -0.7988
1563 P A 0.0000
1564 G A -0.4136
1565 S A -0.8904
1566 E A 0.0000
1567 P A -2.3457
1568 R A -3.1413
1569 A A -2.4271
1570 R A -2.9308
1571 R A -2.7104
1572 E A -2.4785
1573 L A -0.2611
1574 A A -0.3981
1575 P A -0.2694
1576 E A 0.0000
1577 V A 2.2878
1578 I A 2.7639
1579 G A 0.0000
1580 S A 0.0000
1581 V A 0.0000
1582 V A 0.0000
1583 M A 0.6026
1584 L A 0.0000
1585 E A 0.0000
1586 I A 0.0000
1587 D A 0.0000
1588 N A -0.0178
1589 R A 0.0000
1590 L A 0.0000
1591 C A 0.0000
1592 L A 0.0062
1593 Q A -0.7003
1594 S A 0.0000
1595 P A -1.8630
1596 E A -2.7674
1597 N A -2.3093
1598 D A -2.1007
1599 H A 0.0000
1600 C A -0.7779
1601 F A 0.0000
1602 P A -0.7229
1603 D A -1.1342
1604 A A 0.0000
1605 Q A -1.2194
1606 S A -0.8739
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 -3.0575
1619 R A -2.7889
1620 L A -1.2802
1621 D A -2.4409
1622 F A 0.0000
1623 P A -0.8871
1624 Y A 0.0000
1625 P A -0.4548
1626 L A 0.0000
1627 R A 0.0000
1628 D A 0.0000
1629 V A 0.0000
1630 R A -0.4671
1631 G A -0.6273
1632 E A -0.8633
1633 P A -0.6487
1634 L A 0.0245
1635 E A -1.5589
1636 P A -0.8466
1637 P A -0.8925
1638 E A -1.1887
1639 P A -0.7262
1640 S A 0.2204
1641 V A 1.2251
1642 P A 1.2285
1643 L A 2.1074
1644 L A 2.2964
1645 P A 1.9213
1646 L A 2.6766
1647 L A 2.9795
1648 V A 2.9725
1649 A A 2.6078
1650 G A 2.5498
1651 A A 3.2369
1652 V A 4.2110
1653 L A 4.8550
1654 L A 5.4981
1655 L A 5.9772
1656 V A 6.2090
1657 I A 6.3507
1658 L A 6.3492
1659 V A 5.6711
1660 L A 5.2834
1661 G A 3.3168
1662 V A 3.0024
1663 M A 1.9731
1664 V A 1.8045
1665 A A 0.5947
1666 R A -1.8942
1667 R A -2.7535
1668 K A -2.8494
1669 R A -2.0483
1670 E A -1.9840
1671 H A -1.2844
1672 S A -0.2979
1673 T A 0.2068
1674 L A 0.7782
1675 W A 1.3252
1676 F A 1.8095
1677 P A 0.6390
1678 E A 0.4014
1679 G A 0.6774
1680 F A 1.8069
1681 S A 0.8509
1682 L A 1.4087
1683 H A -0.6055
1684 K A -2.1023
1685 D A -2.1731
1686 V A -0.6419
1687 A A -0.8269
1688 S A -1.7187
1689 G A -2.0197
1690 H A -2.9930
1691 K A -3.0664
1692 G A -2.1581
1693 R A -2.6498
1694 R A -3.0218
1695 E A -1.8574
1696 P A -1.2764
1697 V A -0.6631
1698 G A -0.8924
1699 Q A 0.0000
1700 D A -0.2823
1701 A A -0.3733
1702 L A 0.7131
1703 G A -0.1892
1704 M A -0.0683
1705 K A -0.9338
1706 N A 0.0000
1707 M A -0.1597
1708 A A -0.3876
1709 K A -1.3325
1710 G A -0.7676
1711 E A 0.0000
1712 S A -1.4265
1713 L A 0.0000
1714 M A 0.0000
1715 G A -0.8460
1716 E A 0.0270
1717 V A 1.4713
1718 A A 0.5831
1719 T A 0.0105
1720 D A -1.0186
1721 W A 0.1378
1722 M A -0.8374
1723 D A -2.2470
1724 T A -1.7075
1725 E A -2.4844
1726 C A -1.2543
1727 P A -0.6428
1728 E A -0.5102
1729 A A -0.5251
1730 K A -0.8126
1731 R A 0.0000
1732 L A 0.0162
1733 K A -0.0872
1734 V A -0.0481
1735 E A -1.5569
1736 E A -1.4850
1737 P A -1.6692
1738 G A -1.3221
1739 M A -0.5034
1740 G A -1.2493
1741 A A -1.3999
1742 E A -2.7873
1743 E A -2.0311
1744 A A -0.7524
1745 V A 0.4448
1746 D A 0.0000
1747 C A -0.0317
1748 R A 0.0000
1749 Q A 0.0000
1750 W A 0.0000
1751 T A 0.0000
1752 Q A 0.0497
1753 H A 0.0000
1754 H A 0.0000
1755 L A 1.1295
1756 V A 1.8556
1757 A A 0.0000
1758 A A 0.0000
1759 D A 0.2022
1760 I A 0.0000
1761 R A -0.4096
1762 V A 0.2704
1763 A A 0.0000
1764 P A 0.6868
1765 A A 0.3096
1766 M A 0.8506
1767 A A 0.9600
1768 L A 1.7064
1769 T A 0.0000
1770 P A 0.0000
1771 P A 0.0000
1772 Q A -1.5528
1773 G A -1.2527
1774 D A -1.4887
1775 A A -1.1847
1776 D A -2.0662
1777 A A -1.2768
1778 D A -1.3645
1779 G A -0.8577
1780 M A 0.0000
1781 D A 0.0000
1782 V A 0.0000
1783 N A 0.0000
1784 V A 0.0000
1785 R A -0.6090
1786 G A 0.0000
1787 P A -0.9466
1788 D A -1.6689
1789 G A -0.8269
1790 F A -0.1797
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 0.2673
1799 C A 0.0000
1800 G A 0.0000
1801 G A -0.6704
1802 A A 0.0000
1803 L A -0.5026
1804 E A 0.0000
1805 P A -1.5612
1806 M A 0.0000
1807 P A -1.6386
1808 T A -1.3733
1809 E A -1.8828
1810 E A -2.7698
1811 D A -2.4960
1812 E A -2.8811
1813 A A -1.9977
1814 D A -1.8624
1815 D A -2.4228
1816 T A -1.5420
1817 S A 0.0000
1818 A A 0.0000
1819 S A -1.1880
1820 I A -0.4544
1821 I A 0.0000
1822 S A -0.7916
1823 D A -1.6419
1824 L A 0.0000
1825 I A -0.5360
1826 C A -0.4412
1827 Q A -1.2007
1828 G A -1.1796
1829 A A -0.8707
1830 Q A -1.1368
1831 L A 0.0000
1832 G A 0.0000
1833 A A 0.0000
1834 R A 0.0000
1835 T A -1.0696
1836 D A 0.0000
1837 R A -1.8169
1838 T A -1.1634
1839 G A 0.0000
1840 E A -0.7754
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 -0.9170
1849 Y A -0.3574
1850 A A -0.8016
1851 R A 0.0000
1852 A A -0.9178
1853 D A -1.5897
1854 A A 0.0000
1855 A A 0.0000
1856 K A -2.7210
1857 R A -2.4844
1858 L A 0.0000
1859 L A 0.0000
1860 D A -2.9334
1861 A A -1.5289
1862 G A -1.5808
1863 A A 0.0000
1864 D A -2.0323
1865 T A 0.0000
1866 N A -1.3407
1867 A A -0.9865
1868 Q A 0.0000
1869 D A 0.0000
1870 H A 0.0000
1871 S A -0.5096
1872 G A 0.0000
1873 R A -0.8863
1874 T A 0.0000
1875 P A 0.0000
1876 L A 0.0000
1877 H A -0.7480
1878 T A 0.0000
1879 A A 0.0000
1880 V A 0.0000
1881 T A -0.8000
1882 A A -1.2679
1883 D A -2.3196
1884 A A 0.0000
1885 Q A -2.1548
1886 G A -1.4979
1887 V A 0.0000
1888 F A 0.0000
1889 Q A -2.2197
1890 I A -1.8365
1891 L A 0.0000
1892 I A 0.0000
1893 R A -2.7495
1894 N A -2.9260
1895 R A 0.0000
1896 S A -1.3038
1897 T A -1.2095
1898 D A -0.7827
1899 L A 0.0000
1900 D A 0.0000
1901 A A -0.5412
1902 R A 0.0000
1903 M A 0.3904
1904 A A 0.2094
1905 D A 0.0000
1906 G A -0.5025
1907 S A -0.6402
1908 T A 0.0000
1909 A A 0.0000
1910 L A 0.0000
1911 I A 0.0000
1912 L A -0.3310
1913 A A 0.0000
1914 A A 0.0000
1915 R A -1.0199
1916 L A -0.0570
1917 A A -0.5917
1918 V A -1.1501
1919 E A -1.8206
1920 G A -1.8878
1921 M A 0.0000
1922 V A 0.0000
1923 E A -2.3481
1924 E A -1.8253
1925 L A 0.0000
1926 I A -0.8017
1927 A A -0.7382
1928 S A -1.2719
1929 H A -1.4494
1930 A A 0.0000
1931 D A -1.3858
1932 V A -1.2417
1933 N A -2.2740
1934 A A 0.0000
1935 V A 0.0000
1936 D A -3.6211
1937 E A -3.0931
1938 L A -1.9843
1939 G A -2.4715
1940 K A -2.2770
1941 S A 0.0000
1942 A A 0.0000
1943 L A 0.0000
1944 H A -0.5902
1945 W A -0.3629
1946 A A 0.0000
1947 A A 0.0000
1948 A A -0.6832
1949 V A -0.3841
1950 N A -1.2542
1951 N A -1.1038
1952 V A 0.0000
1953 E A -1.1721
1954 A A 0.0000
1955 T A 0.0000
1956 L A -0.4465
1957 A A -1.1128
1958 L A 0.0000
1959 L A 0.0000
1960 K A -1.4504
1961 N A -1.3591
1962 G A -1.2304
1963 A A 0.0000
1964 N A -1.1755
1965 K A -2.3207
1966 D A 0.0000
1967 M A 0.0000
1968 Q A -1.3239
1969 D A -2.0394
1970 S A -2.0137
1971 K A -1.9312
1972 E A -2.4918
1973 E A -2.4277
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A -0.9065
1979 A A 0.0000
1980 A A 0.0000
1981 R A -2.8834
1982 E A -2.1114
1983 G A -1.7245
1984 S A 0.0000
1985 Y A 0.0000
1986 E A -0.6450
1987 A A 0.0000
1988 A A 0.0000
1989 K A 0.0000
1990 L A 0.0000
1991 L A 0.0000
1992 L A 0.0000
1993 D A 0.0000
1994 H A 0.0000
1995 F A 0.0000
1996 A A 0.0000
1997 N A 0.0000
1998 R A -0.7257
1999 E A 0.0000
2000 I A 0.0000
2001 T A 0.0000
2002 D A -1.4287
2003 H A -1.6622
2004 L A 0.0000
2005 D A -2.3537
2006 R A -3.2564
2007 L A 0.0000
2008 P A 0.0000
2009 R A -2.6570
2010 D A -3.0102
2011 V A -2.8342
2012 A A 0.0000
2013 Q A -2.9845
2014 E A -3.5170
2015 R A -3.1697
2016 L A -1.1043
2017 H A -2.0355
2018 Q A -2.2523
2019 D A -1.5675
2020 I A 0.0000
2021 V A -1.8734
2022 R A -2.1324
2023 L A 0.0000
2024 L A 0.0000
2025 D A -1.6755
2026 Q A -1.4512
2027 P A -1.3407
2028 S A -1.3422
2029 G A -1.1464
2030 P A 0.0000
2031 R A -2.1777
2032 S A -1.3837
2033 P A -1.3678
2034 P A 0.0000
2035 G A 0.0000
2036 P A 0.0000
2037 H A 0.0000
2038 G A -0.3872
2039 L A 0.4002
2040 G A 0.1674
2041 P A 0.4849
2042 L A 0.8635
2043 L A 0.4504
2044 C A -0.4969
2045 P A 0.0000
2046 P A -1.6991
2047 G A -1.7973
2048 A A -0.5994
2049 F A 0.7601
2050 L A 0.4832
2051 P A 0.0000
2052 G A 0.0000
2053 L A 0.0000
2054 K A -2.4445
2055 A A 0.0000
2056 A A 0.0000
2057 Q A -1.8266
2058 S A -1.9243
2059 G A -1.6967
2060 S A -2.1849
2061 K A -3.2868
2062 K A -3.3726
2063 S A -2.7771
2064 R A -3.3568
2065 R A -3.0722
2066 P A -1.9192
2067 P A -1.5655
2068 G A -1.1957
2069 K A -1.0217
2070 A A -0.6116
2071 G A -0.0862
2072 L A 0.1978
2073 G A 0.0000
2074 P A -0.4651
2075 Q A -0.8371
2076 G A -1.2659
2077 P A -1.2995
2078 R A -2.0515
2079 G A -2.4120
2080 R A -3.1293
2081 G A -2.3511
2082 K A -2.3154
2083 K A -1.0241
2084 L A 1.1445
2085 T A 0.8582
2086 L A 1.9605
2087 A A 1.0023
2088 C A 1.2965
2089 P A 0.6907
2090 G A 0.4112
2091 P A -0.2904
2092 L A -0.5544
2093 A A -1.0597
2094 D A -2.0660
2095 S A -1.2457
2096 S A -0.6711
2097 V A -0.3632
2098 T A -0.1464
2099 L A 0.0000
2100 S A -0.7010
2101 P A -0.4996
2102 V A -0.4368
2103 D A -1.7633
2104 S A -1.0805
2105 L A -0.7059
2106 D A -1.5077
2107 S A -0.7927
2108 P A 0.0000
2109 R A -0.8168
2110 P A -0.1386
2111 F A 0.0000
2112 G A 0.2902
2113 G A 0.0000
2114 P A 0.0000
2115 P A -0.1236
2116 A A -0.4822
2117 S A -0.6339
2118 P A -0.8067
2119 G A -0.8611
2120 G A -0.8899
2121 F A 0.0000
2122 P A -0.3303
2123 L A 0.3637
2124 E A 0.0000
2125 G A -0.2218
2126 P A -0.2532
2127 Y A 0.0000
2128 A A 0.0000
2129 A A -0.1196
2130 A A 0.1285
2131 T A 0.4716
2132 A A 0.5045
2133 T A 0.3395
2134 A A 0.9037
2135 V A 1.7444
2136 S A 0.7303
2137 L A 0.4895
2138 A A 0.0000
2139 Q A 0.0000
2140 L A -0.0723
2141 G A -0.7387
2142 G A -0.7413
2143 P A -0.3863
2144 G A -0.3198
2145 R A -0.1691
2146 A A 0.0000
2147 G A -0.5992
2148 L A 0.0000
2149 G A -0.1864
2150 R A -1.3336
2151 Q A 0.0000
2152 P A -1.5999
2153 P A -1.9937
2154 G A -1.2580
2155 G A -1.0639
2156 C A 0.0000
2157 V A 0.9337
2158 L A 0.0000
2159 S A 1.0242
2160 L A 0.5885
2161 G A 0.5870
2162 L A 0.7119
2163 L A 1.5093
2164 N A 0.9660
2165 P A 0.0000
2166 V A 1.8878
2167 A A 0.0000
2168 V A 1.1101
2169 P A 0.0000
2170 L A 1.0486
2171 D A 0.0000
2172 W A 0.0000
2173 A A -0.5735
2174 R A -2.0695
2175 L A -0.9900
2176 P A -0.9958
2177 P A -1.2113
2178 P A -0.8065
2179 A A 0.0000
2180 P A -0.7584
2181 P A -0.6563
2182 G A -0.6197
2183 P A 0.0000
2184 S A 0.1505
2185 F A 0.9033
2186 L A 1.9643
2187 L A 1.6595
2188 P A 1.0858
2189 L A 1.5600
2190 A A 0.3081
2191 P A -0.4512
2192 G A -0.4585
2193 P A -0.7190
2194 Q A -0.5032
2195 L A 0.7523
2196 L A 0.5660
2197 N A 0.0000
2198 P A -0.3978
2199 G A -0.5955
2200 T A -0.2813
2201 P A 0.0816
2202 V A 0.3344
2203 S A -0.2819
2204 P A -0.7817
2205 Q A -1.7513
2206 E A -3.1340
2207 R A -3.2619
2208 P A -1.7545
2209 P A 0.0000
2210 P A -0.0547
2211 Y A 1.3398
2212 L A 2.1451
2213 A A 0.8699
2214 V A 0.8526
2215 P A 0.0000
2216 G A -0.5423
2217 H A -1.5474
2218 G A -1.5474
2219 E A -1.8808
2220 E A -1.2525
2221 Y A -0.7727
2222 P A -0.5193
2223 A A -0.4883
2224 A A -0.7232
2225 G A -0.7751
2226 A A -0.5463
2227 H A -0.4849
2228 S A -0.4696
2229 S A -0.5751
2230 P A -0.7849
2231 P A -0.7656
2232 K A -1.4686
2233 A A -0.8816
2234 R A -0.6799
2235 F A 0.2003
2236 L A 0.7495
2237 R A 0.0772
2238 V A 1.2331
2239 P A -0.1200
2240 S A -1.0899
2241 E A -2.2532
2242 H A -1.2787
2243 P A -0.5162
2244 Y A 0.8096
2245 L A 1.5267
2246 T A 0.8736
2247 P A 0.1736
2248 S A 0.1439
2249 P A 0.0000
2250 E A -0.8625
2251 S A 0.0000
2252 P A -1.7496
2253 E A -1.7047
2254 H A -1.0990
2255 W A -0.2288
2256 A A 0.1904
2257 S A 0.0721
2258 P A 0.0000
2259 S A 0.0563
2260 P A 0.3654
2261 P A 0.0933
2262 S A -0.1845
2263 L A 0.8153
2264 S A -0.5100
2265 D A -1.5287
2266 W A -0.7306
2267 S A -1.1483
2268 E A -2.0395
2269 S A -1.0580
2270 T A -0.6300
2271 P A -0.1504
2272 S A -0.1243
2273 P A 0.0000
2274 A A -0.0139
2275 T A -0.0980
2276 A A -0.0086
2277 T A 0.0000
2278 G A -0.4256
2279 A A -0.6697
2280 M A -0.7252
2281 A A 0.0000
2282 T A -0.2843
2283 T A -0.2814
2284 T A -0.0740
2285 G A -0.3360
2286 A A 0.4214
2287 L A 0.9949
2288 P A 0.1013
2289 A A -0.2524
2290 Q A -0.7598
2291 P A -0.1775
2292 L A 0.1983
2293 P A 0.4385
2294 L A 1.2980
2295 S A 0.0000
2296 V A 0.4462
2297 P A 0.1561
2298 S A 0.1342
2299 S A 0.0000
2300 L A 0.0328
2301 A A -0.0069
2302 Q A 0.1779
2303 A A -0.0793
2304 Q A -0.7584
2305 T A -0.4427
2306 Q A -0.7813
2307 L A -0.1660
2308 G A -0.7267
2309 P A -1.0009
2310 Q A -1.5170
2311 P A -0.9542
2312 E A -0.7753
2313 V A 0.1818
2314 T A -0.6042
2315 P A -1.2949
2316 K A -2.8876
2317 R A -2.7091
2318 Q A -0.9649
2319 V A 1.2959
2320 L A 0.6373
2321 A A 0.5937
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, -0.5845 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_9 -0.5845 View CSV PDB
model_3 -0.5857 View CSV PDB
model_0 -0.5861 View CSV PDB
model_7 -0.6091 View CSV PDB
CABS_average -0.6204 View CSV PDB
model_5 -0.6209 View CSV PDB
model_4 -0.6252 View CSV PDB
model_8 -0.6275 View CSV PDB
model_2 -0.6276 View CSV PDB
model_1 -0.6314 View CSV PDB
model_6 -0.6347 View CSV PDB
model_10 -0.6465 View CSV PDB
model_11 -0.6658 View CSV PDB
input -0.7658 View CSV PDB