Project name: G739K_4D

Status: done

Started: 2026-05-14 06:18:09
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACKSQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:37:21)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:44:05)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:44:43)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:45:21)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:46:00)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:46:38)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:47:16)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:47:54)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:48:33)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:49:11)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:49:49)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:50:27)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:51:05)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:51:44)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:52:58)
[INFO]       Main:     Simulation completed successfully.                                          (12:53:35)
Show buried residues

Minimal score value
-4.1956
Maximal score value
4.2185
Average score
-0.5592
Total score value
-1297.8714

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 0.9000
2 G A 0.1987
3 P A -0.2014
4 G A -0.5794
5 A A -0.8346
6 R A -1.9248
7 G A -2.0827
8 R A -2.6795
9 R A -3.6681
10 R A -3.7615
11 R A -3.4631
12 R A -3.1080
13 R A 0.0000
14 P A -0.6679
15 M A -0.5131
16 S A 0.0000
17 P A -0.4838
18 P A 0.0000
19 P A -0.5637
20 P A -0.7381
21 P A -1.0324
22 P A -0.9080
23 P A -0.4406
24 V A -0.1687
25 R A -1.2110
26 A A -0.3346
27 L A 0.2874
28 P A -0.2066
29 L A 0.7947
30 L A 1.5257
31 L A 1.5455
32 L A 1.6510
33 L A 1.2043
34 A A 0.1310
35 G A -0.0517
36 P A -0.1522
37 G A -0.4395
38 A A -0.1434
39 A A 0.2044
40 A A 0.0000
41 P A 0.0754
42 P A 0.0000
43 C A 0.0000
44 L A 0.0099
45 D A -1.3577
46 G A -1.3948
47 S A -1.2103
48 P A 0.0000
49 C A 0.0000
50 A A -1.0881
51 N A -1.2234
52 G A -1.1263
53 G A -1.3656
54 R A -1.8873
55 C A -0.7080
56 T A -0.4940
57 Q A 0.0000
58 L A -0.0040
59 P A -0.7911
60 S A -1.4338
61 R A -2.3886
62 E A -2.4785
63 A A -0.8989
64 A A -0.5439
65 C A 0.0000
66 L A -0.4560
67 C A -0.9183
68 P A -0.9869
69 P A -1.1042
70 G A -1.1278
71 W A 0.0000
72 V A 0.0000
73 G A -1.6057
74 E A -2.0684
75 R A -0.9770
76 C A 0.0000
77 Q A -0.2776
78 L A 0.0000
79 E A 0.0000
80 D A -0.9927
81 P A -0.4652
82 C A 0.0000
83 H A -0.8343
84 S A -1.0137
85 G A -0.8259
86 P A -0.4389
87 C A -0.3057
88 A A -0.8084
89 G A -1.5547
90 R A -2.0693
91 G A -1.0859
92 V A 0.2188
93 C A -0.6727
94 Q A -1.4612
95 S A 0.0000
96 S A -0.7296
97 V A 0.0000
98 V A 0.4326
99 A A 0.5190
100 G A -0.2326
101 T A 0.0000
102 A A 0.0000
103 R A -0.5358
104 F A 0.0000
105 S A 0.0000
106 C A 0.0000
107 R A -2.3014
108 C A -1.4808
109 P A -1.6075
110 R A -2.6650
111 G A -2.4175
112 F A 0.0000
113 R A -2.0613
114 G A 0.0000
115 P A -0.9087
116 D A -0.6807
117 C A 0.0000
118 S A -0.1190
119 L A -0.0739
120 P A -0.9880
121 D A -1.8640
122 P A -0.9546
123 C A -0.1616
124 L A 1.2527
125 S A 0.7107
126 S A 0.4257
127 P A 0.0270
128 C A -0.5645
129 A A -0.8317
130 H A -1.2088
131 G A -1.2781
132 A A -1.0590
133 R A -1.4127
134 C A 0.2662
135 S A 0.7334
136 V A 0.9725
137 G A -0.4029
138 P A -1.0533
139 D A -2.5804
140 G A -1.6529
141 R A -1.1822
142 F A 0.8725
143 L A 1.3401
144 C A 0.1505
145 S A -0.5650
146 C A 0.0000
147 P A -0.9934
148 P A -0.6515
149 G A -0.6803
150 Y A -1.1560
151 Q A -1.7876
152 G A -1.8904
153 R A -2.4807
154 S A -1.2415
155 C A -0.9564
156 R A -2.2832
157 S A -1.6316
158 D A 0.0000
159 V A -0.4861
160 D A -1.1189
161 E A -0.8141
162 C A -0.9166
163 R A -1.6810
164 V A -0.0850
165 G A -0.9960
166 E A -2.6423
167 P A -2.0289
168 C A -2.1848
169 R A -2.7524
170 H A -2.6168
171 G A -1.3666
172 G A -1.1722
173 T A -1.5094
174 C A -1.2319
175 L A -0.0320
176 N A -0.4023
177 T A -0.6249
178 P A -0.7220
179 G A 0.0000
180 S A -0.2127
181 F A 0.0811
182 R A -0.4331
183 C A 0.0000
184 Q A -1.4377
185 C A 0.0000
186 P A -0.5709
187 A A 0.3924
188 G A 0.6283
189 Y A 0.3885
190 T A 0.0000
191 G A -0.7630
192 P A -0.3881
193 L A 0.5403
194 C A -0.8131
195 E A -1.6900
196 N A -1.2174
197 P A -0.2821
198 A A 0.4492
199 V A 0.9864
200 P A 0.2555
201 C A 0.4694
202 A A -0.2495
203 P A -0.2173
204 S A -0.3265
205 P A -0.6456
206 C A 0.0000
207 R A -1.4813
208 N A -1.6383
209 G A -0.9284
210 G A -0.4013
211 T A 0.0000
212 C A 0.3184
213 R A -0.6807
214 Q A -0.5748
215 S A -0.6397
216 G A -0.8798
217 D A -1.1085
218 L A 0.6329
219 T A 0.1101
220 Y A 0.3192
221 D A -0.2332
222 C A 0.4173
223 A A 0.0000
224 C A 0.6802
225 L A 0.0000
226 P A 0.0000
227 G A -1.2093
228 F A -1.2686
229 E A -2.2063
230 G A 0.0000
231 Q A -2.5819
232 N A -1.8068
233 C A -1.0572
234 E A -1.6491
235 V A -1.0395
236 N A -1.0831
237 V A -0.2490
238 D A -1.4158
239 D A -1.0781
240 C A -0.0699
241 P A -0.2263
242 G A -0.5403
243 H A 0.0000
244 R A -1.5114
245 C A 0.0000
246 L A 0.3309
247 N A -0.7268
248 G A -0.6119
249 G A -0.4953
250 T A -0.7688
251 C A 0.0000
252 V A -0.1625
253 D A 0.0000
254 G A 0.0000
255 V A 0.9564
256 N A -0.3340
257 T A 0.1528
258 Y A 0.0402
259 N A -0.5089
260 C A -0.5693
261 Q A -1.0235
262 C A -0.7040
263 P A -0.4015
264 P A 0.0000
265 E A -0.9211
266 W A 0.1194
267 T A -0.2146
268 G A -0.4101
269 Q A -0.2355
270 F A 0.5384
271 C A 0.0000
272 T A -0.3445
273 E A -0.4562
274 D A -0.6115
275 V A -0.3339
276 D A -0.5944
277 E A 0.0000
278 C A -0.4300
279 Q A -0.8034
280 L A -0.5166
281 Q A -1.2846
282 P A -0.9242
283 N A 0.0000
284 A A -0.3700
285 C A 0.0000
286 H A -0.8877
287 N A -1.0277
288 G A -1.0923
289 G A -0.6953
290 T A -0.1113
291 C A 0.4621
292 F A 1.5188
293 N A 0.2477
294 T A 0.6115
295 L A 0.9330
296 G A -0.3910
297 G A -0.4120
298 H A 0.0000
299 S A -0.3006
300 C A 0.0000
301 V A 0.0000
302 C A 0.0000
303 V A -0.4582
304 N A 0.0281
305 G A 0.1096
306 W A 0.4608
307 T A -0.1103
308 G A -1.2989
309 E A -2.0974
310 S A 0.0000
311 C A 0.0000
312 S A 0.0000
313 Q A 0.5949
314 N A 0.0000
315 I A 1.9858
316 D A 0.0433
317 D A 0.0000
318 C A 0.3110
319 A A -0.2860
320 T A -0.1487
321 A A -0.2423
322 V A 0.0000
323 C A 0.6047
324 F A 0.7933
325 H A -0.4996
326 G A -0.5330
327 A A -0.0485
328 T A 0.0445
329 C A 0.4475
330 H A 0.3094
331 D A 0.3228
332 R A 0.2303
333 V A 0.0000
334 A A 0.0192
335 S A 0.0000
336 F A -0.0016
337 Y A 0.0000
338 C A 0.0000
339 A A 0.0000
340 C A 0.0000
341 P A 0.0291
342 M A 0.2658
343 G A -0.7214
344 K A -0.5474
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 0.0000
351 L A -0.6236
352 D A -1.6712
353 D A -1.1948
354 A A 0.0000
355 C A 0.0000
356 V A -0.1548
357 S A 0.0000
358 N A 0.0000
359 P A 0.0000
360 C A 0.0000
361 H A 0.0000
362 E A -0.9077
363 D A 0.0000
364 A A 0.0000
365 I A 0.0000
366 C A 0.0000
367 D A -0.1368
368 T A 0.0000
369 N A -0.2002
370 P A 0.0000
371 V A 0.0956
372 N A 0.0000
373 G A -0.8271
374 R A -0.9648
375 A A 0.0000
376 I A 0.5193
377 C A 0.0000
378 T A 0.0250
379 C A 0.0000
380 P A 0.2099
381 P A 0.0235
382 G A -0.4612
383 F A 0.1537
384 T A 0.0000
385 G A -0.1756
386 G A -0.4137
387 A A -0.2284
388 C A -0.1870
389 D A -0.8839
390 Q A 0.0000
391 D A -1.4057
392 V A 0.0000
393 D A -2.1223
394 E A -1.3915
395 C A 0.0000
396 S A -0.9809
397 I A -1.5511
398 G A -1.8979
399 A A -1.8273
400 N A -1.7801
401 P A -1.2345
402 C A -1.3160
403 E A -2.3974
404 H A -2.2510
405 L A -1.3043
406 G A -1.4732
407 R A -1.7473
408 C A -0.2066
409 V A 0.4106
410 N A -0.9279
411 T A -0.6398
412 Q A -1.7457
413 G A 0.0000
414 S A 0.0000
415 F A 0.0204
416 L A 1.0516
417 C A 0.0000
418 Q A -1.3903
419 C A -1.8193
420 G A -1.9873
421 R A -2.4987
422 G A -1.4641
423 Y A -0.5218
424 T A -0.8943
425 G A -0.8240
426 P A -0.5570
427 R A -1.0578
428 C A 0.0000
429 E A -2.9902
430 T A -2.4533
431 D A -2.4753
432 V A -1.2343
433 N A -0.9484
434 E A -0.3150
435 C A 0.0000
436 L A 1.1342
437 S A 0.4140
438 G A 0.0000
439 P A 0.0000
440 C A 0.1197
441 R A 0.0000
442 N A -0.9427
443 Q A 0.0000
444 A A -0.2182
445 T A -0.1029
446 C A 0.2641
447 L A 0.0000
448 D A -0.7118
449 R A -0.9163
450 I A 0.4347
451 G A -0.2155
452 Q A -0.8789
453 F A 0.0000
454 T A 0.0000
455 C A -0.1606
456 I A 0.0000
457 C A -0.0670
458 M A 0.0000
459 A A 0.0000
460 G A 0.0000
461 F A -0.7070
462 T A -0.9035
463 G A -0.7060
464 T A -0.4773
465 Y A 0.0000
466 C A 0.0000
467 E A -0.8246
468 V A 0.0000
469 D A -2.2365
470 I A -2.1173
471 D A -3.1173
472 E A -2.7890
473 C A -1.1368
474 Q A -1.3467
475 S A -0.9490
476 S A -0.2829
477 P A 0.2162
478 C A 0.6155
479 V A 0.9151
480 N A -0.3242
481 G A -0.1903
482 G A 0.8649
483 V A 1.6991
484 C A 0.7721
485 K A -0.4799
486 D A -1.2671
487 R A 0.0000
488 V A 0.0000
489 N A -1.7998
490 G A -1.2812
491 F A -0.7597
492 S A 0.0000
493 C A 0.0000
494 T A 0.9659
495 C A 0.8390
496 P A 0.4358
497 S A -0.2897
498 G A -0.0913
499 F A 1.2076
500 S A -0.0353
501 G A -0.4538
502 S A -0.6281
503 T A -0.4839
504 C A 0.0000
505 Q A -0.8907
506 L A -0.4890
507 D A -1.4243
508 V A -0.5292
509 D A -2.1452
510 E A -2.5932
511 C A 0.0000
512 A A -0.6291
513 S A -0.8542
514 T A -0.8469
515 P A -1.0871
516 C A -2.0005
517 R A -2.4181
518 N A -2.3561
519 G A -2.2251
520 A A -1.5630
521 K A -2.3597
522 C A -1.4932
523 V A -0.7116
524 D A -1.6134
525 Q A -1.8060
526 P A -1.6999
527 D A -2.9018
528 G A -1.6647
529 Y A -1.2191
530 E A -1.7926
531 C A 0.0000
532 R A -2.5148
533 C A 0.0000
534 A A -1.5124
535 E A -2.0926
536 G A -1.3544
537 F A -1.0647
538 E A -1.8658
539 G A -1.1185
540 T A -0.7137
541 L A -0.6728
542 C A -1.1730
543 D A -1.6990
544 R A -2.0515
545 N A -1.5975
546 V A -0.2736
547 D A -1.8759
548 D A -1.8386
549 C A -0.4458
550 S A -0.9889
551 P A -1.3982
552 D A -2.3116
553 P A -2.0918
554 C A -2.2641
555 H A -2.2245
556 H A -2.0779
557 G A -1.5957
558 R A -1.8543
559 C A -0.7483
560 V A 1.2041
561 D A -0.0250
562 G A 0.5544
563 I A 1.6311
564 A A 0.7812
565 S A 0.4316
566 F A 0.2172
567 S A -0.2544
568 C A 0.0000
569 A A -0.5204
570 C A -0.9197
571 A A -0.2536
572 P A -0.4594
573 G A 0.0000
574 Y A 0.4645
575 T A 0.0000
576 G A -0.7862
577 T A -1.4137
578 R A -2.5422
579 C A -2.0865
580 E A -2.3638
581 S A -1.4974
582 Q A -1.2278
583 V A -1.1362
584 D A -2.4576
585 E A -2.3122
586 C A 0.0000
587 R A -2.6434
588 S A -2.1264
589 Q A -2.1897
590 P A -1.5998
591 C A -2.0608
592 R A -2.5318
593 H A -2.5403
594 G A -1.8497
595 G A -2.0898
596 K A -2.4666
597 C A -0.4360
598 L A 0.8366
599 D A -0.6438
600 L A 0.4878
601 V A -0.1567
602 D A -2.0754
603 K A -1.5968
604 Y A -0.1383
605 L A 1.1874
606 C A -0.2588
607 R A -1.2132
608 C A 0.0000
609 P A -1.3682
610 S A -1.1158
611 G A -0.9965
612 T A -0.3970
613 T A -0.7544
614 G A -0.2131
615 V A 0.8773
616 N A -0.8639
617 C A 0.0000
618 E A -1.7999
619 V A -0.7908
620 N A -0.7847
621 I A 0.1308
622 D A -1.4815
623 D A -1.5273
624 C A -0.9920
625 A A -0.7172
626 S A -0.2178
627 N A -0.1846
628 P A 0.4236
629 C A 1.2517
630 T A 0.9616
631 F A 2.3114
632 G A 1.9443
633 V A 2.1304
634 C A 0.5544
635 R A -1.6163
636 D A -2.0430
637 G A -1.5906
638 I A -0.9517
639 N A -1.5437
640 R A -2.3022
641 Y A -0.9052
642 D A -0.5411
643 C A 0.4862
644 V A 2.0395
645 C A 0.0000
646 Q A -0.3683
647 P A -0.2920
648 G A 0.0000
649 F A 0.0000
650 T A 0.2181
651 G A 0.3554
652 P A 0.5570
653 L A 1.3707
654 C A 0.7601
655 N A -0.4165
656 V A -0.0996
657 E A -1.6073
658 I A -0.8516
659 N A -2.1832
660 E A -1.4331
661 C A -0.9721
662 A A -0.5518
663 S A -0.7630
664 S A -0.2848
665 P A -0.1542
666 C A 0.0068
667 G A -0.6401
668 E A -0.9001
669 G A -1.1326
670 G A -0.9356
671 S A -0.1578
672 C A 0.0585
673 V A -0.9491
674 D A -2.5773
675 G A -2.7871
676 E A -2.9153
677 N A -2.4410
678 G A 0.0000
679 F A 0.0000
680 R A -1.1264
681 C A 0.3985
682 L A 1.0815
683 C A 0.0000
684 P A -0.4570
685 P A -1.0982
686 G A -1.4098
687 S A 0.0000
688 L A 0.0000
689 P A 0.0000
690 P A 0.7886
691 L A 1.4924
692 C A 0.0000
693 L A 0.4256
694 P A 0.3665
695 P A -0.2578
696 S A -0.3874
697 H A 0.0000
698 P A -0.4812
699 C A 0.0000
700 A A -0.8816
701 H A -2.0417
702 E A -2.6225
703 P A -2.0268
704 C A 0.0000
705 S A -0.8502
706 H A -0.3201
707 G A 0.0000
708 I A 1.5701
709 C A 0.0000
710 Y A 0.8766
711 D A -0.8599
712 A A -0.6651
713 P A -0.6337
714 G A -0.9514
715 G A -0.5255
716 F A 0.2621
717 R A -0.6076
718 C A 0.1859
719 V A 0.6810
720 C A -0.1551
721 E A -1.2593
722 P A -0.8600
723 G A -0.3428
724 W A 0.4529
725 S A -0.3617
726 G A -0.7942
727 P A -1.1681
728 R A -1.9495
729 C A -0.6929
730 S A -0.9935
731 Q A -1.1065
732 S A -0.0449
733 L A 0.6475
734 A A -0.6489
735 R A -2.5101
736 D A -2.9595
737 A A -2.3055
738 C A 0.0000
739 K A -3.0115
740 S A -1.6194
741 Q A -1.9994
742 P A -1.8108
743 C A 0.0000
744 R A -2.5152
745 A A -1.2545
746 G A -1.1019
747 G A -1.3196
748 T A -0.8936
749 C A -1.2456
750 S A -1.1041
751 S A -1.1379
752 D A -1.5278
753 G A -0.7188
754 M A 0.2691
755 G A 0.1889
756 F A 0.9417
757 H A -0.3891
758 C A 0.0000
759 T A -1.7849
760 C A 0.0000
761 P A -1.7272
762 P A -1.1255
763 G A -0.5629
764 V A -0.1880
765 Q A -1.6150
766 G A -2.1432
767 R A -3.0302
768 Q A -2.6106
769 C A -2.4597
770 E A -1.9555
771 L A -0.7629
772 L A 0.1850
773 S A -0.1008
774 P A -0.2905
775 C A -0.1985
776 T A -0.7387
777 P A -0.9272
778 N A -1.5762
779 P A -1.1464
780 C A -1.0695
781 E A -1.4773
782 H A -1.9245
783 G A -1.4801
784 G A -2.0671
785 R A -2.9151
786 C A -1.8454
787 E A -2.2491
788 S A -0.9845
789 A A -0.5142
790 P A -0.4755
791 G A -0.8381
792 Q A -0.9300
793 L A 0.5567
794 P A -0.2945
795 V A -1.0388
796 C A 0.0000
797 S A -2.3120
798 C A -1.5524
799 P A -0.9740
800 Q A 0.0000
801 G A -1.3908
802 W A -1.9292
803 Q A -2.8973
804 G A -2.3910
805 P A -1.7611
806 R A -2.8644
807 C A 0.0000
808 Q A -2.3527
809 Q A -2.1972
810 D A -2.3042
811 V A 0.0000
812 D A -2.2208
813 E A 0.0000
814 C A 0.0000
815 A A -0.1614
816 G A -0.9897
817 P A -0.7985
818 A A -0.4149
819 P A 0.0000
820 C A 0.0000
821 G A -0.5954
822 P A -0.6426
823 H A -0.8350
824 G A 0.1536
825 I A 1.5973
826 C A 0.7943
827 T A 0.4703
828 N A -0.2029
829 L A 0.4638
830 A A 0.1798
831 G A -0.0406
832 S A 0.0296
833 F A 0.2150
834 S A 0.4124
835 C A 0.4160
836 T A 0.3565
837 C A -0.3569
838 H A -0.9807
839 G A -0.8075
840 G A -0.6310
841 Y A -0.5675
842 T A -0.8924
843 G A 0.0000
844 P A -0.4332
845 S A -0.3360
846 C A -0.7228
847 D A -1.1785
848 Q A -0.8120
849 D A -0.3529
850 I A 0.2801
851 N A -0.3993
852 D A -0.8519
853 C A -1.0028
854 D A 0.0000
855 P A -1.2938
856 N A -1.1350
857 P A -0.6687
858 C A 0.0000
859 L A 0.0000
860 N A 0.0000
861 G A -0.9239
862 G A -0.8989
863 S A -0.9983
864 C A -0.0776
865 Q A -1.0467
866 D A -1.5398
867 G A -0.2451
868 V A 1.1730
869 G A 0.1875
870 S A 0.0000
871 F A -0.1849
872 S A 0.0000
873 C A 0.0000
874 S A 0.0000
875 C A 0.0000
876 L A 0.0000
877 P A -0.4318
878 G A 0.0000
879 F A 0.0000
880 A A 0.0000
881 G A 0.0000
882 P A -1.2241
883 R A -1.5825
884 C A 0.0000
885 A A -0.8511
886 R A -1.2839
887 D A -1.6862
888 V A -1.4453
889 D A -1.4973
890 E A 0.0000
891 C A 0.1983
892 L A 0.1538
893 S A -0.6310
894 N A -1.6443
895 P A -1.1992
896 C A 0.0000
897 G A -1.2119
898 P A -0.5351
899 G A -0.0704
900 T A 0.4198
901 C A 0.4034
902 T A -0.2530
903 D A -0.7273
904 H A 0.0000
905 V A 0.0000
906 A A 0.2542
907 S A 0.0000
908 F A 0.0000
909 T A 0.0000
910 C A 0.0000
911 T A 0.0000
912 C A 0.0000
913 P A 0.0000
914 P A -0.1764
915 G A -0.6804
916 Y A 0.0000
917 G A 0.0000
918 G A 0.0000
919 F A 0.0000
920 H A 0.0000
921 C A 0.0000
922 E A -1.7573
923 Q A 0.0000
924 D A -0.9712
925 L A -0.4422
926 P A 0.0000
927 D A 0.0000
928 C A 0.0000
929 S A 0.4913
930 P A 0.3210
931 S A -0.2230
932 S A 0.0000
933 C A 0.0000
934 F A -0.6056
935 N A -1.7806
936 G A -1.3232
937 G A -0.6387
938 T A -0.0960
939 C A 0.0000
940 V A 0.7631
941 D A 0.0000
942 G A 0.0000
943 V A 0.0000
944 N A -1.4617
945 S A -0.0764
946 F A 1.1919
947 S A 1.3665
948 C A 1.0102
949 L A 1.0460
950 C A 0.0000
951 R A -1.8324
952 P A -1.3921
953 G A -1.0529
954 Y A -0.2609
955 T A -0.7652
956 G A -0.7308
957 A A -0.5691
958 H A -1.0204
959 C A -0.4983
960 Q A 0.0000
961 H A -1.1534
962 E A -1.4245
963 A A -1.0183
964 D A -1.5678
965 P A 0.0000
966 C A 0.4980
967 L A 0.7082
968 S A -0.4457
969 R A -0.8482
970 P A -0.4065
971 C A 0.0000
972 L A 0.4964
973 H A -0.5089
974 G A -0.5351
975 G A -0.2815
976 V A 0.0000
977 C A 0.2951
978 S A 0.0000
979 A A -0.0475
980 A A -0.3235
981 H A -0.5514
982 P A -0.5992
983 G A -0.3158
984 F A -0.0901
985 R A -0.5776
986 C A 0.0000
987 T A -0.3933
988 C A 0.0000
989 L A 0.2751
990 E A -0.7058
991 S A -0.6565
992 F A -0.4098
993 T A -0.7638
994 G A -0.9521
995 P A -0.9987
996 Q A -1.2634
997 C A 0.0000
998 Q A -1.4440
999 T A -0.8544
1000 L A -0.3163
1001 V A -0.2324
1002 D A -1.1166
1003 W A 0.4102
1004 C A 0.3453
1005 S A 0.1826
1006 R A -0.6649
1007 Q A -1.1366
1008 P A 0.0000
1009 C A -1.1251
1010 Q A -2.1255
1011 N A -1.9571
1012 G A -1.5512
1013 G A -1.1825
1014 R A -1.0814
1015 C A 0.3853
1016 V A 0.6587
1017 Q A -0.7832
1018 T A -0.2710
1019 G A -0.2562
1020 A A 0.5596
1021 Y A 1.6208
1022 C A 0.0000
1023 L A 1.4820
1024 C A 0.1887
1025 P A 0.0000
1026 P A -0.8154
1027 G A -1.2325
1028 W A 0.0000
1029 S A -0.7365
1030 G A -0.8186
1031 R A -1.8133
1032 L A 0.0000
1033 C A 0.0000
1034 D A -1.5977
1035 I A 0.0000
1036 R A -1.1585
1037 S A -1.3042
1038 L A -1.2692
1039 P A -1.7234
1040 C A 0.0000
1041 R A -2.9857
1042 E A -2.3926
1043 A A 0.0000
1044 A A 0.0000
1045 A A -1.5893
1046 Q A -1.3101
1047 I A 0.1258
1048 G A -0.2804
1049 V A -1.0649
1050 R A -2.7899
1051 L A -2.1781
1052 E A -2.1580
1053 Q A -2.4029
1054 L A 0.0000
1055 C A 0.0000
1056 Q A 0.0000
1057 A A -1.5905
1058 G A -1.4395
1059 G A 0.0000
1060 Q A -0.2293
1061 C A 0.0000
1062 V A -0.4932
1063 D A -2.0238
1064 E A -2.5994
1065 D A -2.8100
1066 S A -1.7087
1067 S A -1.3881
1068 H A 0.0000
1069 Y A 0.0066
1070 C A 0.0000
1071 V A -0.2211
1072 C A 0.0000
1073 P A -1.2491
1074 E A -2.3754
1075 G A -2.2967
1076 R A -2.8822
1077 T A -2.0747
1078 G A -1.8022
1079 S A -1.2233
1080 H A -1.3161
1081 C A 0.0000
1082 E A -3.3672
1083 Q A -3.1506
1084 E A -3.2715
1085 V A -1.0973
1086 D A -1.8267
1087 P A -0.8377
1088 C A 0.1617
1089 L A 0.2211
1090 A A 0.0273
1091 Q A -0.1799
1092 P A -0.2982
1093 C A 0.0030
1094 Q A 0.0000
1095 H A -0.3571
1096 G A 0.0000
1097 G A 0.0269
1098 T A 0.1047
1099 C A 0.0217
1100 R A -0.7134
1101 G A -0.5086
1102 Y A -0.1163
1103 M A 0.5410
1104 G A -0.5481
1105 G A -0.2280
1106 Y A 0.0000
1107 M A -0.0247
1108 C A 0.0000
1109 E A 0.0000
1110 C A 0.0000
1111 L A 1.0352
1112 P A 0.2827
1113 G A 0.0000
1114 Y A 0.0164
1115 N A -0.7540
1116 G A -0.6334
1117 D A -0.6970
1118 N A -0.8777
1119 C A -0.9628
1120 E A -2.3354
1121 D A -1.8824
1122 D A -2.2746
1123 V A 0.0000
1124 D A -1.6256
1125 E A -1.0806
1126 C A -0.9040
1127 A A -0.8613
1128 S A -0.6017
1129 Q A -1.2671
1130 P A -0.6543
1131 C A -0.8127
1132 Q A -1.5395
1133 H A -1.2087
1134 G A -0.9747
1135 G A -0.8720
1136 S A -0.4671
1137 C A -0.4170
1138 I A 0.0000
1139 D A 0.0000
1140 L A 0.0000
1141 V A -0.8693
1142 A A -0.9752
1143 R A -1.5217
1144 Y A 0.0000
1145 L A 0.0000
1146 C A 0.0000
1147 S A 0.0000
1148 C A 0.2691
1149 P A -0.1221
1150 P A -0.1990
1151 G A 0.0000
1152 T A -0.2586
1153 L A 0.0000
1154 G A -0.0648
1155 V A 0.6839
1156 L A 0.3615
1157 C A 0.0000
1158 E A -1.3415
1159 I A -0.3702
1160 N A -0.6702
1161 E A 0.0000
1162 D A -1.9672
1163 D A -1.6886
1164 C A -0.9178
1165 G A 0.0000
1166 P A -0.5294
1167 G A -0.5032
1168 P A -0.5648
1169 P A -0.2044
1170 L A 0.4150
1171 D A -1.4756
1172 S A -0.9789
1173 G A 0.0000
1174 P A 0.0000
1175 R A -0.9756
1176 C A -0.3908
1177 L A -0.0198
1178 H A -0.8314
1179 N A -0.9419
1180 G A -0.8360
1181 T A -0.5294
1182 C A -0.0074
1183 V A 0.0836
1184 D A -0.5320
1185 L A 0.8750
1186 V A 1.2365
1187 G A 0.0000
1188 G A -0.0282
1189 F A 0.0000
1190 R A -0.2550
1191 C A 0.0000
1192 T A 0.0000
1193 C A 0.0000
1194 P A -0.8343
1195 P A -0.4503
1196 G A -0.6212
1197 Y A 0.0000
1198 T A 0.0000
1199 G A 0.0000
1200 L A 0.0000
1201 R A 0.0000
1202 C A 0.0000
1203 E A -0.7486
1204 A A 0.0000
1205 D A 0.0634
1206 I A 1.1678
1207 N A -0.0588
1208 E A -0.8226
1209 C A 0.0000
1210 R A -0.9720
1211 S A -0.5469
1212 G A -0.8453
1213 A A -0.9333
1214 C A 0.0000
1215 H A -1.0724
1216 A A -0.3446
1217 A A -0.4477
1218 H A 0.0000
1219 T A 0.0000
1220 R A -2.3013
1221 D A -2.2810
1222 C A 0.0000
1223 L A -0.7187
1224 Q A -1.5253
1225 D A -2.2709
1226 P A -1.5214
1227 G A -1.4201
1228 G A -1.3190
1229 G A -1.3220
1230 F A -1.1752
1231 R A -1.8929
1232 C A 0.0000
1233 L A -0.4542
1234 C A -0.5458
1235 H A -0.3546
1236 A A 0.0592
1237 G A 0.0222
1238 F A 0.2490
1239 S A -0.2377
1240 G A -0.6819
1241 P A -1.4013
1242 R A -2.3746
1243 C A 0.0000
1244 Q A -1.3721
1245 T A -0.0712
1246 V A 0.2273
1247 L A 0.1515
1248 S A 0.0000
1249 P A -0.8072
1250 C A -0.8587
1251 E A -1.8289
1252 S A -1.6398
1253 Q A -1.6984
1254 P A -1.4889
1255 C A -1.5242
1256 Q A -1.5382
1257 H A 0.0000
1258 G A 0.0000
1259 G A 0.0000
1260 Q A -1.5108
1261 C A 0.0000
1262 R A -1.3976
1263 P A 0.0000
1264 S A 0.0000
1265 P A -0.3597
1266 G A -0.1449
1267 P A -0.3410
1268 G A -0.6396
1269 G A -0.5712
1270 G A 0.0000
1271 L A 0.0000
1272 T A 0.0277
1273 F A -0.3655
1274 T A 0.0000
1275 C A 0.0000
1276 H A -0.9549
1277 C A 0.0000
1278 A A 0.0000
1279 Q A 0.0000
1280 P A 0.0000
1281 F A 0.2486
1282 W A 0.0000
1283 G A 0.0000
1284 P A -1.1365
1285 R A -2.1190
1286 C A 0.0000
1287 E A -1.0233
1288 R A 0.0000
1289 V A 0.3868
1290 A A -0.1203
1291 R A 0.0000
1292 S A -0.7410
1293 C A 0.0000
1294 R A 0.0000
1295 E A -0.1402
1296 L A 0.2868
1297 Q A 0.1874
1298 C A 0.0000
1299 P A 0.0000
1300 V A 0.6243
1301 G A -0.0372
1302 V A 0.1982
1303 P A -0.0373
1304 C A -0.7937
1305 Q A -1.5640
1306 Q A -1.9703
1307 T A 0.0000
1308 P A -1.1708
1309 R A -1.9534
1310 G A 0.0000
1311 P A 0.0000
1312 R A -1.0076
1313 C A 0.0000
1314 A A -0.0925
1315 C A 0.0448
1316 P A -0.3161
1317 P A -0.4162
1318 G A -0.3616
1319 L A -0.0159
1320 S A -0.1109
1321 G A 0.0000
1322 P A -0.3401
1323 S A -0.4799
1324 C A -0.7074
1325 R A -1.0111
1326 S A -0.4561
1327 F A 0.1666
1328 P A -0.2860
1329 G A -0.5966
1330 S A 0.0000
1331 P A -0.5205
1332 P A -0.8487
1333 G A -0.8209
1334 A A -0.3066
1335 S A 0.0000
1336 N A 0.0000
1337 A A 0.0000
1338 S A 0.0000
1339 C A 0.0000
1340 A A -0.6859
1341 A A -0.3760
1342 A A 0.0000
1343 P A -0.4610
1344 C A 0.0000
1345 L A 0.3509
1346 H A -0.6817
1347 G A -0.8567
1348 G A -0.8082
1349 S A -0.8669
1350 C A 0.0000
1351 R A -1.9919
1352 P A 0.0000
1353 A A 0.0000
1354 P A 0.2291
1355 L A 1.4199
1356 A A 0.5317
1357 P A 0.0000
1358 F A 0.0519
1359 F A -0.6198
1360 R A -1.9420
1361 C A -1.0573
1362 A A -0.6134
1363 C A -0.1237
1364 A A -0.1379
1365 Q A -0.7792
1366 G A -0.2945
1367 W A 0.2367
1368 T A -0.2555
1369 G A -0.6842
1370 P A -1.0439
1371 R A -1.2910
1372 C A 0.0000
1373 E A -0.7070
1374 A A -0.4591
1375 P A -0.4657
1376 A A -0.1378
1377 A A -0.2958
1378 A A -0.1453
1379 P A -0.3421
1380 E A -0.3904
1381 V A 1.1455
1382 S A -0.1103
1383 E A 0.0000
1384 E A -1.5642
1385 P A -1.6670
1386 R A -2.4597
1387 C A -2.3148
1388 P A -1.9741
1389 R A -2.5190
1390 A A -1.3056
1391 A A -1.2469
1392 C A 0.0000
1393 Q A -2.0053
1394 A A -1.3251
1395 K A -1.8810
1396 R A -2.5962
1397 G A -2.6183
1398 D A -3.3402
1399 Q A -2.5759
1400 R A -1.7533
1401 C A -2.0010
1402 D A -3.4254
1403 R A -3.9034
1404 E A -3.5724
1405 C A 0.0000
1406 N A 0.0000
1407 S A 0.0000
1408 P A 0.0000
1409 G A -0.8852
1410 C A -1.0138
1411 G A -0.4782
1412 W A -0.7715
1413 D A 0.0000
1414 G A -1.1022
1415 G A -0.6611
1416 D A 0.0000
1417 C A 0.0000
1418 S A -1.1628
1419 L A 0.0000
1420 S A 0.0000
1421 V A -0.8428
1422 G A -1.3668
1423 D A -2.0680
1424 P A -1.5905
1425 W A 0.0000
1426 R A -2.6946
1427 Q A -1.9193
1428 C A -1.1280
1429 E A -1.8508
1430 A A -0.3928
1431 L A 0.6362
1432 Q A -0.6343
1433 C A 0.0000
1434 W A 0.0000
1435 R A 0.0000
1436 L A 0.0000
1437 F A 0.0000
1438 N A 0.0000
1439 N A -1.1739
1440 S A -1.6588
1441 R A -2.4653
1442 C A -1.6777
1443 D A -2.2694
1444 P A 0.0000
1445 A A -0.5307
1446 C A 0.1288
1447 S A 0.1641
1448 S A -0.2470
1449 P A -0.4623
1450 A A -0.8299
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 0.0000
1458 C A 0.0000
1459 H A 0.0000
1460 A A 0.0000
1461 G A -1.8617
1462 G A -2.0679
1463 R A -2.8994
1464 E A -2.6917
1465 R A -2.8174
1466 T A -1.9674
1467 C A 0.0000
1468 N A -1.0294
1469 P A -0.4467
1470 V A 0.0048
1471 Y A -0.0003
1472 E A -1.2684
1473 K A -1.6496
1474 Y A -0.0972
1475 C A 0.0000
1476 A A -1.0509
1477 D A -1.7069
1478 H A 0.0000
1479 F A 0.4952
1480 A A -0.6399
1481 D A -1.2984
1482 G A -1.1249
1483 R A -1.6367
1484 C A -0.9364
1485 D A -1.1842
1486 Q A -0.8847
1487 G A -0.5114
1488 C A 0.2693
1489 N A -0.3970
1490 T A -0.8152
1491 E A 0.0000
1492 E A -1.4688
1493 C A 0.0000
1494 G A 0.0000
1495 W A 0.0000
1496 D A 0.0000
1497 G A 0.0000
1498 L A -0.0855
1499 D A -0.1927
1500 C A 0.3727
1501 A A -0.4648
1502 S A -0.9496
1503 E A -1.7775
1504 V A -0.5878
1505 P A 0.4486
1506 A A 0.0000
1507 L A 1.1103
1508 L A 0.0000
1509 A A -0.5218
1510 R A -0.7150
1511 G A 0.0000
1512 V A 0.0000
1513 L A 0.0000
1514 V A -0.3055
1515 L A 0.0000
1516 T A 0.0000
1517 V A 0.0000
1518 L A 0.9547
1519 L A 0.2332
1520 P A -0.9202
1521 P A -1.1940
1522 E A -2.6360
1523 E A -2.5081
1524 L A 0.0000
1525 L A -1.0302
1526 R A -2.3617
1527 S A -1.4230
1528 S A 0.0000
1529 A A -0.3830
1530 D A -1.0078
1531 F A 0.0000
1532 L A 0.0000
1533 Q A 0.0000
1534 R A -0.7245
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 0.0000
1545 F A 0.0000
1546 R A 0.0000
1547 L A 0.0000
1548 D A 0.0000
1549 A A -0.7560
1550 H A -0.8612
1551 G A -0.7619
1552 Q A -0.2304
1553 A A 0.0876
1554 M A 0.5865
1555 V A 0.0000
1556 F A 0.5526
1557 P A -0.2858
1558 Y A 0.0000
1559 H A -0.6103
1560 R A -0.9723
1561 P A -0.8087
1562 S A 0.0000
1563 P A -0.9390
1564 G A -1.1753
1565 S A 0.0000
1566 E A -3.6177
1567 P A -3.2854
1568 R A -4.1956
1569 A A -2.8893
1570 R A -3.2001
1571 R A -3.2877
1572 E A -3.2803
1573 L A -1.7772
1574 A A -0.7977
1575 P A -0.9982
1576 E A -0.2536
1577 V A 0.9976
1578 I A 0.7619
1579 G A 0.2978
1580 S A 0.0000
1581 V A 0.1837
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 -0.8483
1588 N A -1.1923
1589 R A -1.5364
1590 L A -0.4468
1591 C A 0.1889
1592 L A -1.0447
1593 Q A -1.8664
1594 S A 0.0000
1595 P A -1.8701
1596 E A -2.7470
1597 N A -2.2923
1598 D A -2.2153
1599 H A 0.0000
1600 C A -0.0875
1601 F A 0.0000
1602 P A -0.4019
1603 D A -0.8942
1604 A A 0.0000
1605 Q A -1.4657
1606 S A 0.0000
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 -0.4800
1613 A A 0.0000
1614 L A 0.0000
1615 S A -1.5877
1616 A A 0.0000
1617 V A 0.0000
1618 E A -3.0027
1619 R A -2.9725
1620 L A 0.0000
1621 D A -2.3649
1622 F A 0.0000
1623 P A -0.7874
1624 Y A 0.5246
1625 P A 0.4791
1626 L A 0.0000
1627 R A -0.1634
1628 D A 0.0000
1629 V A 0.0000
1630 R A -1.6047
1631 G A -1.3343
1632 E A -1.1183
1633 P A -0.6255
1634 L A 0.1653
1635 E A 0.1547
1636 P A 0.0000
1637 P A 0.0000
1638 E A 0.4301
1639 P A 0.2875
1640 S A 0.7875
1641 V A 1.8985
1642 P A 1.0800
1643 L A 1.0067
1644 L A 0.0000
1645 P A 1.1898
1646 L A 2.2971
1647 L A 2.2659
1648 V A 1.8250
1649 A A 1.6010
1650 G A 1.4511
1651 A A 1.8060
1652 V A 0.0000
1653 L A 2.9497
1654 L A 3.4396
1655 L A 0.0000
1656 V A 3.1163
1657 I A 4.2185
1658 L A 3.7204
1659 V A 3.4374
1660 L A 3.5673
1661 G A 2.2274
1662 V A 2.2212
1663 M A 1.8263
1664 V A 1.4148
1665 A A 0.0143
1666 R A -1.7424
1667 R A -2.4881
1668 K A -2.6856
1669 R A -3.2860
1670 E A -3.2327
1671 H A 0.0000
1672 S A -1.2710
1673 T A 0.0000
1674 L A 0.9883
1675 W A 0.0000
1676 F A 1.1429
1677 P A -0.3772
1678 E A -2.0634
1679 G A -1.2047
1680 F A 0.0000
1681 S A -0.2351
1682 L A 0.0000
1683 H A -1.1801
1684 K A -2.3356
1685 D A -2.5511
1686 V A -1.5341
1687 A A -1.2872
1688 S A -1.3247
1689 G A -1.4477
1690 H A -2.5368
1691 K A -2.5837
1692 G A 0.0000
1693 R A -1.9137
1694 R A -1.2094
1695 E A -0.7418
1696 P A 0.0846
1697 V A 1.1197
1698 G A 0.4448
1699 Q A -0.1694
1700 D A 0.0000
1701 A A 0.0000
1702 L A 1.1647
1703 G A 0.0215
1704 M A 0.3714
1705 K A 0.0000
1706 N A -0.5097
1707 M A 0.2767
1708 A A -0.2935
1709 K A -1.1902
1710 G A -1.2429
1711 E A -1.2165
1712 S A -0.1775
1713 L A 0.9238
1714 M A -0.0928
1715 G A -0.2435
1716 E A 0.3741
1717 V A 1.3007
1718 A A 0.4587
1719 T A -0.1534
1720 D A -1.3118
1721 W A -0.1142
1722 M A 0.4196
1723 D A -0.7174
1724 T A -0.5442
1725 E A -0.9179
1726 C A -0.3628
1727 P A -0.2280
1728 E A 0.0000
1729 A A -0.0904
1730 K A 0.0000
1731 R A 0.0000
1732 L A 0.9129
1733 K A 0.0000
1734 V A 0.3436
1735 E A 0.0000
1736 E A -1.8903
1737 P A -1.2513
1738 G A -0.7982
1739 M A -0.7198
1740 G A -0.6436
1741 A A -0.9379
1742 E A -1.4847
1743 E A -1.3496
1744 A A -0.4364
1745 V A -0.6848
1746 D A -1.2376
1747 C A -0.3541
1748 R A -0.9729
1749 Q A 0.0000
1750 W A 0.0000
1751 T A 0.0000
1752 Q A 0.0000
1753 H A 0.0000
1754 H A 0.0000
1755 L A 0.0000
1756 V A 0.0000
1757 A A 0.0000
1758 A A 0.0000
1759 D A -0.2262
1760 I A 0.0000
1761 R A -0.4505
1762 V A 0.8721
1763 A A 0.0000
1764 P A -0.1742
1765 A A 0.1054
1766 M A 0.2123
1767 A A -0.1268
1768 L A 0.0000
1769 T A -0.3154
1770 P A -0.7971
1771 P A -1.4180
1772 Q A -2.2298
1773 G A -2.3431
1774 D A -2.6456
1775 A A 0.0000
1776 D A 0.0000
1777 A A 0.0000
1778 D A -1.7377
1779 G A -1.3960
1780 M A 0.0000
1781 D A -2.0205
1782 V A 0.0000
1783 N A 0.0000
1784 V A 0.0000
1785 R A -0.8019
1786 G A -0.8244
1787 P A 0.0000
1788 D A 0.0000
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 0.0000
1800 G A 0.0000
1801 G A 0.0000
1802 A A 0.0791
1803 L A 0.2259
1804 E A 0.0000
1805 P A -0.7773
1806 M A -0.9499
1807 P A -1.6244
1808 T A -2.5541
1809 E A -3.5719
1810 E A -3.8756
1811 D A -3.6149
1812 E A -2.6061
1813 A A 0.0000
1814 D A -1.2095
1815 D A -1.0292
1816 T A -0.5309
1817 S A 0.0000
1818 A A 0.0000
1819 S A 0.0000
1820 I A 0.0000
1821 I A 0.0000
1822 S A 0.0000
1823 D A 0.0000
1824 L A 0.0000
1825 I A -0.0000
1826 C A 0.1309
1827 Q A -0.7980
1828 G A -0.7324
1829 A A 0.0000
1830 Q A -1.3357
1831 L A 0.0000
1832 G A -1.1268
1833 A A 0.0000
1834 R A -1.5516
1835 T A 0.0000
1836 D A 0.0000
1837 R A 0.1862
1838 T A 0.0000
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 -0.3116
1849 Y A 0.0000
1850 A A 0.0000
1851 R A 0.0000
1852 A A 0.0000
1853 D A -0.3789
1854 A A 0.0000
1855 A A 0.0000
1856 K A 0.0000
1857 R A 0.0000
1858 L A 0.0000
1859 L A 0.0000
1860 D A -1.0902
1861 A A -0.5634
1862 G A -1.0084
1863 A A 0.0000
1864 D A -2.1595
1865 T A 0.0000
1866 N A 0.0000
1867 A A -1.3366
1868 Q A -1.3306
1869 D A -1.0805
1870 H A 0.0000
1871 S A 0.0000
1872 G A -1.2999
1873 R A -1.1367
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 0.0000
1882 A A 0.0394
1883 D A -0.3214
1884 A A 0.0000
1885 Q A 0.0000
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 -1.2170
1895 R A -1.4793
1896 S A 0.0000
1897 T A -0.8579
1898 D A -1.1557
1899 L A 0.0000
1900 D A -1.3515
1901 A A 0.0000
1902 R A -1.6043
1903 M A 0.0000
1904 A A -1.6808
1905 D A -2.3845
1906 G A -1.8356
1907 S A -1.1714
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 0.0000
1916 L A 0.2804
1917 A A 0.0235
1918 V A -0.0022
1919 E A -0.4411
1920 G A -0.4674
1921 M A 0.0000
1922 V A 0.0000
1923 E A -1.5988
1924 E A -1.0542
1925 L A 0.0000
1926 I A 0.0000
1927 A A -0.8663
1928 S A 0.0000
1929 H A -0.9078
1930 A A 0.0000
1931 D A 0.0000
1932 V A 0.0000
1933 N A -1.3829
1934 A A -1.4481
1935 V A 0.0000
1936 D A -2.7656
1937 E A -2.9270
1938 L A -1.4760
1939 G A 0.0000
1940 K A 0.0000
1941 S A 0.0000
1942 A A 0.0000
1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.0000
1946 A A 0.0000
1947 A A 0.0000
1948 A A 0.0000
1949 V A 0.0238
1950 N A -0.9800
1951 N A -0.6785
1952 V A -0.6633
1953 E A -1.5623
1954 A A 0.0000
1955 T A 0.0000
1956 L A -0.3479
1957 A A 0.0000
1958 L A 0.0000
1959 L A 0.0000
1960 K A -1.9350
1961 N A -1.4401
1962 G A 0.0000
1963 A A 0.0000
1964 N A -1.9947
1965 K A -3.1202
1966 D A -3.1202
1967 M A 0.0000
1968 Q A -2.6136
1969 D A -3.2249
1970 S A 0.0000
1971 K A -3.5184
1972 E A -2.1144
1973 E A -1.4171
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A -1.0698
1978 L A 0.0000
1979 A A 0.0000
1980 A A 0.0000
1981 R A -1.8582
1982 E A -1.3964
1983 G A -1.1403
1984 S A 0.0000
1985 Y A -0.9199
1986 E A -1.4971
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.5971
1990 L A -0.8461
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.7048
1994 H A -1.4156
1995 F A -1.3826
1996 A A 0.0000
1997 N A 0.0000
1998 R A 0.0000
1999 E A -0.9411
2000 I A 0.0000
2001 T A -1.2698
2002 D A -2.3348
2003 H A 0.0000
2004 L A -1.4698
2005 D A -2.6897
2006 R A -2.9270
2007 L A -1.4684
2008 P A 0.0000
2009 R A -2.7960
2010 D A -2.7590
2011 V A -2.1776
2012 A A 0.0000
2013 Q A -2.8615
2014 E A -2.9937
2015 R A -2.6969
2016 L A -0.7640
2017 H A -2.1112
2018 Q A -3.1191
2019 D A -2.9463
2020 I A 0.0000
2021 V A 0.0000
2022 R A -3.4735
2023 L A -2.2858
2024 L A 0.0000
2025 D A -2.8403
2026 Q A -2.2757
2027 P A -1.9674
2028 S A 0.0000
2029 G A -1.4108
2030 P A -1.4158
2031 R A -1.7602
2032 S A -1.3336
2033 P A -1.1765
2034 P A -1.1497
2035 G A -0.9910
2036 P A -1.3117
2037 H A -1.6218
2038 G A -1.6236
2039 L A -1.1242
2040 G A -1.0146
2041 P A -1.0192
2042 L A 0.0000
2043 L A 0.0000
2044 C A -0.4666
2045 P A 0.0000
2046 P A -0.6400
2047 G A 0.0000
2048 A A 0.0000
2049 F A 0.0000
2050 L A 0.9303
2051 P A 0.2051
2052 G A -0.3055
2053 L A -0.7836
2054 K A -1.6171
2055 A A 0.0000
2056 A A -0.4899
2057 Q A -0.7701
2058 S A -0.9409
2059 G A -1.3600
2060 S A -1.6180
2061 K A -2.4740
2062 K A -2.2609
2063 S A -1.2968
2064 R A 0.0000
2065 R A -0.7996
2066 P A -0.4096
2067 P A 0.0000
2068 G A -0.6597
2069 K A -0.7441
2070 A A -0.6821
2071 G A -0.6878
2072 L A 0.0000
2073 G A -0.5849
2074 P A -0.3977
2075 Q A 0.0000
2076 G A -0.7926
2077 P A -0.8242
2078 R A -1.4793
2079 G A -1.9409
2080 R A -1.6737
2081 G A -1.2607
2082 K A -2.1362
2083 K A -1.4091
2084 L A 0.3506
2085 T A 0.0114
2086 L A 0.5266
2087 A A 0.6397
2088 C A 0.6721
2089 P A -0.0187
2090 G A -0.3724
2091 P A -0.3081
2092 L A 0.0000
2093 A A -0.2193
2094 D A 0.0000
2095 S A -0.2026
2096 S A -0.2637
2097 V A 0.1346
2098 T A -0.2342
2099 L A 0.0000
2100 S A -0.6917
2101 P A -1.1962
2102 V A 0.0000
2103 D A -1.5117
2104 S A -1.0705
2105 L A -1.0169
2106 D A -1.9812
2107 S A -1.3237
2108 P A -0.9001
2109 R A 0.0000
2110 P A 0.9310
2111 F A 1.7525
2112 G A 0.8789
2113 G A 0.0000
2114 P A 0.0000
2115 P A 0.0000
2116 A A 0.0000
2117 S A -0.1681
2118 P A -0.4460
2119 G A -0.4958
2120 G A -0.2950
2121 F A 0.0000
2122 P A -0.4567
2123 L A -0.3591
2124 E A -1.5310
2125 G A -0.6929
2126 P A -0.2396
2127 Y A 0.0217
2128 A A 0.0555
2129 A A 0.1244
2130 A A 0.0663
2131 T A -0.1886
2132 A A -0.2335
2133 T A 0.1781
2134 A A 0.8129
2135 V A 2.1874
2136 S A 1.4902
2137 L A 1.3655
2138 A A 0.2134
2139 Q A -0.5916
2140 L A -0.7589
2141 G A -1.0771
2142 G A -1.4738
2143 P A -1.3032
2144 G A -1.5251
2145 R A -2.3426
2146 A A -1.4683
2147 G A -1.6190
2148 L A 0.0000
2149 G A -1.3032
2150 R A -1.4559
2151 Q A -1.5505
2152 P A -1.2347
2153 P A -0.9648
2154 G A -0.6649
2155 G A -0.1575
2156 C A 0.4311
2157 V A 0.0000
2158 L A 0.4174
2159 S A -0.0708
2160 L A 0.0000
2161 G A -0.1869
2162 L A 0.0000
2163 L A -0.1659
2164 N A -0.4375
2165 P A -0.2650
2166 V A 0.0000
2167 A A 0.3509
2168 V A 0.0000
2169 P A 0.1102
2170 L A 0.2892
2171 D A -1.5117
2172 W A 0.0000
2173 A A -1.0707
2174 R A -1.8740
2175 L A -0.6675
2176 P A -0.4211
2177 P A 0.0000
2178 P A -0.4656
2179 A A 0.0000
2180 P A -0.4311
2181 P A -1.0499
2182 G A -0.2028
2183 P A -0.1058
2184 S A 0.4059
2185 F A 1.8310
2186 L A 2.5151
2187 L A 2.5025
2188 P A 1.7393
2189 L A 2.0021
2190 A A 0.5825
2191 P A -0.4687
2192 G A -1.0393
2193 P A -0.6924
2194 Q A -0.3258
2195 L A 1.6958
2196 L A 2.0918
2197 N A 0.4649
2198 P A -0.1239
2199 G A -0.5271
2200 T A -0.2955
2201 P A 0.0114
2202 V A 0.0000
2203 S A -0.5076
2204 P A 0.0000
2205 Q A -1.4720
2206 E A -1.1255
2207 R A 0.0000
2208 P A 0.0000
2209 P A -0.2795
2210 P A -0.1556
2211 Y A 0.1540
2212 L A 0.8849
2213 A A 1.1019
2214 V A 1.3283
2215 P A -0.1842
2216 G A -0.6100
2217 H A -1.5764
2218 G A -2.0723
2219 E A -2.9485
2220 E A -2.7912
2221 Y A -0.9569
2222 P A -0.4452
2223 A A -0.0642
2224 A A -0.0695
2225 G A -1.0143
2226 A A -0.8213
2227 H A -1.3424
2228 S A 0.0000
2229 S A -1.0933
2230 P A -1.6349
2231 P A -1.5523
2232 K A -1.7466
2233 A A -1.3715
2234 R A -2.0512
2235 F A -1.5208
2236 L A -0.8912
2237 R A 0.0000
2238 V A 0.0000
2239 P A 0.0000
2240 S A -1.5948
2241 E A -2.4860
2242 H A -1.7382
2243 P A -0.5786
2244 Y A 0.4257
2245 L A 0.3452
2246 T A 0.1450
2247 P A -0.3618
2248 S A -0.9247
2249 P A -1.4373
2250 E A -2.3356
2251 S A 0.0000
2252 P A -1.1312
2253 E A 0.0000
2254 H A 0.0000
2255 W A 0.1935
2256 A A 0.2736
2257 S A 0.0024
2258 P A -0.3117
2259 S A -0.3597
2260 P A 0.0000
2261 P A -0.3243
2262 S A -0.6418
2263 L A -0.5812
2264 S A -0.8639
2265 D A -1.8872
2266 W A -0.5462
2267 S A -0.8002
2268 E A -0.9851
2269 S A -0.5220
2270 T A -0.4843
2271 P A -0.2974
2272 S A -0.4054
2273 P A -0.1760
2274 A A -0.0156
2275 T A 0.0000
2276 A A -0.1282
2277 T A 0.0000
2278 G A -0.3663
2279 A A -0.1100
2280 M A 0.1913
2281 A A 0.1617
2282 T A 0.0000
2283 T A 0.0490
2284 T A -0.1402
2285 G A 0.0000
2286 A A 0.0000
2287 L A 0.0000
2288 P A -0.7725
2289 A A -1.3574
2290 Q A 0.0000
2291 P A -0.6096
2292 L A 0.0000
2293 P A -0.5127
2294 L A -0.4796
2295 S A -0.3966
2296 V A -0.2468
2297 P A -0.3120
2298 S A 0.0425
2299 S A 0.4134
2300 L A 0.5829
2301 A A 0.0000
2302 Q A -0.9983
2303 A A -0.8909
2304 Q A -0.7973
2305 T A -0.5189
2306 Q A -0.4847
2307 L A -0.2312
2308 G A -0.5306
2309 P A -0.7412
2310 Q A -0.4992
2311 P A -0.2301
2312 E A -0.5000
2313 V A 0.0627
2314 T A -0.9146
2315 P A -1.5307
2316 K A -2.5980
2317 R A -2.6784
2318 Q A -1.1734
2319 V A 0.8042
2320 L A 1.0472
2321 A A 0.2674
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, -0.5592 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 -0.5592 View CSV PDB
model_3 -0.5598 View CSV PDB
model_6 -0.5864 View CSV PDB
model_10 -0.5914 View CSV PDB
model_1 -0.5963 View CSV PDB
model_0 -0.5964 View CSV PDB
CABS_average -0.5978 View CSV PDB
model_5 -0.5996 View CSV PDB
model_9 -0.6036 View CSV PDB
model_8 -0.6111 View CSV PDB
model_7 -0.6123 View CSV PDB
model_11 -0.6244 View CSV PDB
model_4 -0.6337 View CSV PDB
input -0.7536 View CSV PDB