Project name: C55Y_4D

Status: done

Started: 2026-05-14 00:49:11
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRYTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:42:14)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:07:31)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:08:17)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:09:02)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:09:48)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:10:34)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:11:20)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:12:05)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:12:50)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:13:34)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:14:18)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:15:02)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:15:47)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:16:31)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:18:03)
[INFO]       Main:     Simulation completed successfully.                                          (12:18:50)
Show buried residues

Minimal score value
-4.1291
Maximal score value
4.4889
Average score
-0.5282
Total score value
-1225.9255

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 0.2924
2 G A -0.6039
3 P A -1.0423
4 G A -1.2979
5 A A -1.0671
6 R A -1.5484
7 G A -1.8831
8 R A -2.5962
9 R A -3.9307
10 R A -4.1291
11 R A -3.7368
12 R A -3.4502
13 R A -1.5737
14 P A -0.8129
15 M A -0.3897
16 S A -0.2774
17 P A -0.9037
18 P A -0.8420
19 P A -0.8306
20 P A -0.6306
21 P A -0.4877
22 P A -0.3481
23 P A -0.4859
24 V A -0.1970
25 R A -0.9121
26 A A -0.3093
27 L A 0.5753
28 P A 1.3391
29 L A 2.9558
30 L A 3.2882
31 L A 3.0855
32 L A 1.3568
33 L A 0.9445
34 A A -0.2583
35 G A -0.8166
36 P A -0.3277
37 G A -0.4766
38 A A -0.3389
39 A A -0.0320
40 A A -0.1727
41 P A -0.4315
42 P A -0.5601
43 C A 0.0000
44 L A -0.8383
45 D A -1.1525
46 G A -0.9136
47 S A -0.7444
48 P A -0.7436
49 C A 0.0000
50 A A -0.8901
51 N A -1.3906
52 G A -1.4148
53 G A -1.3002
54 R A -1.6941
55 Y A -0.0201
56 T A -0.7800
57 Q A -1.3216
58 L A -0.2249
59 P A -1.0947
60 S A -1.6267
61 R A -2.6920
62 E A -2.8243
63 A A -1.7704
64 A A -1.1883
65 C A 0.0000
66 L A -0.4623
67 C A -0.8642
68 P A -1.0000
69 P A -0.9717
70 G A -1.5019
71 W A -1.6776
72 V A 0.0000
73 G A -0.6586
74 E A -1.2913
75 R A 0.0000
76 C A 0.0000
77 Q A -1.8220
78 L A 0.0000
79 E A -3.0849
80 D A -3.0330
81 P A -2.0547
82 C A -0.9352
83 H A -1.6407
84 S A -1.0169
85 G A -0.7824
86 P A -0.3306
87 C A 0.2529
88 A A -0.3801
89 G A -0.7570
90 R A -1.2436
91 G A -0.6811
92 V A 0.3349
93 C A 0.0000
94 Q A 0.9855
95 S A 0.0000
96 S A 0.1133
97 V A 0.0000
98 V A -0.5345
99 A A -0.8505
100 G A -1.3061
101 T A -1.3411
102 A A -1.6554
103 R A -1.6923
104 F A -0.6067
105 S A 0.0688
106 C A 0.0000
107 R A 0.0000
108 C A 0.0000
109 P A -1.0596
110 R A -1.8941
111 G A -0.9676
112 F A 0.0000
113 R A -0.8991
114 G A -0.5265
115 P A -0.6959
116 D A -0.7331
117 C A -0.2665
118 S A -0.2544
119 L A -0.2864
120 P A -0.6448
121 D A 0.0000
122 P A -0.5172
123 C A 0.0000
124 L A 0.1492
125 S A -0.2599
126 S A -0.0437
127 P A -0.4732
128 C A -0.7019
129 A A 0.0000
130 H A -1.8390
131 G A -1.2514
132 A A -1.5621
133 R A -1.7337
134 C A -0.3869
135 S A 0.0000
136 V A 0.0000
137 G A 0.0000
138 P A -1.6437
139 D A -2.4890
140 G A -2.0791
141 R A -2.1421
142 F A -0.1808
143 L A -0.2104
144 C A 0.0000
145 S A 0.0000
146 C A 0.0000
147 P A 0.0000
148 P A -0.8196
149 G A -0.6936
150 Y A 0.0000
151 Q A -1.5336
152 G A -1.3288
153 R A 0.0000
154 S A -0.4977
155 C A -0.5866
156 R A -2.1931
157 S A -1.5562
158 D A -1.3256
159 V A -0.0312
160 D A 0.0000
161 E A 0.0000
162 C A -0.2770
163 R A -0.8832
164 V A -0.8638
165 G A -1.0704
166 E A -1.9457
167 P A -1.6468
168 C A -2.0160
169 R A -2.8541
170 H A -2.4362
171 G A -1.7089
172 G A -1.5193
173 T A -1.3546
174 C A -0.9142
175 L A -0.1150
176 N A -0.2415
177 T A -0.2941
178 P A -0.4773
179 G A -0.8664
180 S A -0.9824
181 F A 0.0000
182 R A -2.0455
183 C A 0.0000
184 Q A -1.7866
185 C A -1.0442
186 P A -0.5367
187 A A -0.0010
188 G A 0.5348
189 Y A 0.6153
190 T A -0.9874
191 G A 0.0000
192 P A -2.5466
193 L A 0.0000
194 C A -2.2828
195 E A -2.5574
196 N A -1.4073
197 P A -0.1488
198 A A 0.0488
199 V A 0.8807
200 P A -0.0865
201 C A 0.0000
202 A A 0.1925
203 P A -0.2669
204 S A -0.6746
205 P A -0.7648
206 C A 0.0000
207 R A -1.2193
208 N A -1.3813
209 G A -1.2166
210 G A -1.2493
211 T A 0.0000
212 C A -1.9884
213 R A -2.7708
214 Q A -2.1585
215 S A -1.5234
216 G A -1.2084
217 D A -1.3872
218 L A 0.6205
219 T A -0.2525
220 Y A -0.6752
221 D A -2.4834
222 C A 0.0000
223 A A -1.6610
224 C A -1.4037
225 L A -0.6333
226 P A -0.4147
227 G A -0.1534
228 F A 0.0000
229 E A -2.7731
230 G A -2.4887
231 Q A -3.1684
232 N A -2.8245
233 C A 0.0000
234 E A -2.7341
235 V A -1.3379
236 N A -1.6892
237 V A -0.0456
238 D A -1.0492
239 D A -1.9580
240 C A -1.2313
241 P A -2.1613
242 G A -1.5816
243 H A -1.4649
244 R A -1.7865
245 C A -0.3873
246 L A 1.1239
247 N A 0.0000
248 G A 0.4345
249 G A 0.0000
250 T A 0.0000
251 C A 0.0000
252 V A -0.5880
253 D A 0.0000
254 G A 0.0000
255 V A 1.4533
256 N A -0.2367
257 T A 0.4111
258 Y A 0.8791
259 N A 0.1190
260 C A -0.2422
261 Q A -0.3701
262 C A 0.0000
263 P A 0.0000
264 P A 0.0000
265 E A 0.0000
266 W A 0.0000
267 T A -0.3790
268 G A -0.5340
269 Q A -0.0818
270 F A 1.6443
271 C A 1.0222
272 T A 0.1151
273 E A -0.2931
274 D A 0.0000
275 V A 0.5038
276 D A 0.0401
277 E A 0.0000
278 C A 0.1215
279 Q A -0.4304
280 L A 0.3360
281 Q A 0.0000
282 P A -0.2993
283 N A 0.0220
284 A A -0.0852
285 C A 0.3521
286 H A -0.7612
287 N A -0.7587
288 G A -0.9404
289 G A -0.4986
290 T A 0.3927
291 C A 1.1423
292 F A 2.1145
293 N A 0.9966
294 T A 1.1289
295 L A 1.4805
296 G A 0.6646
297 G A 0.5105
298 H A 0.5933
299 S A 0.5727
300 C A 0.8658
301 V A 1.3281
302 C A 0.0000
303 V A 1.1856
304 N A 0.9885
305 G A 1.0739
306 W A 1.4745
307 T A 0.2555
308 G A -0.5717
309 E A -0.9583
310 S A -0.3317
311 C A 0.0000
312 S A 0.0000
313 Q A -0.0730
314 N A 0.6482
315 I A 1.6221
316 D A 0.3602
317 D A 0.1318
318 C A -0.0751
319 A A 0.0149
320 T A -0.1461
321 A A 0.0449
322 V A 0.0000
323 C A 0.0000
324 F A -0.5299
325 H A -1.5321
326 G A -1.7580
327 A A 0.0000
328 T A -0.9669
329 C A -0.6155
330 H A -1.2992
331 D A -0.9426
332 R A -1.3099
333 V A 1.0623
334 A A 0.2921
335 S A -0.1139
336 F A -0.0007
337 Y A 0.4498
338 C A 0.5995
339 A A 0.3186
340 C A 0.0000
341 P A -0.0394
342 M A 0.7476
343 G A 0.7331
344 K A 0.0000
345 T A -0.2875
346 G A -0.0623
347 L A 0.9258
348 L A 0.0000
349 C A 0.0000
350 H A -0.2119
351 L A 0.0000
352 D A 0.0000
353 D A 0.2886
354 A A 0.0000
355 C A 1.1125
356 V A 1.0690
357 S A -0.1575
358 N A -1.2888
359 P A -0.8045
360 C A 0.0000
361 H A 0.0000
362 E A -2.9475
363 D A -1.6359
364 A A -0.2119
365 I A 1.6362
366 C A 0.0000
367 D A -0.7155
368 T A -0.7088
369 N A -1.3988
370 P A -0.9012
371 V A -0.3939
372 N A -1.2065
373 G A -0.8518
374 R A -0.5697
375 A A 0.0179
376 I A 1.4691
377 C A 0.0000
378 T A 0.8722
379 C A 0.0000
380 P A 0.0000
381 P A -0.5112
382 G A -0.2810
383 F A 0.0000
384 T A 0.0000
385 G A 0.0000
386 G A -0.4526
387 A A -0.7571
388 C A -1.1754
389 D A -1.7611
390 Q A 0.0000
391 D A -1.0398
392 V A -0.2540
393 D A 0.0000
394 E A -0.2808
395 C A 0.0000
396 S A 0.0000
397 I A 0.1081
398 G A 0.0981
399 A A 0.0000
400 N A 0.0000
401 P A -0.4988
402 C A -0.3734
403 E A -0.3611
404 H A 0.0000
405 L A -0.2033
406 G A -0.9292
407 R A -1.1671
408 C A 0.0000
409 V A -0.4758
410 N A 0.0000
411 T A -1.0250
412 Q A -1.6979
413 G A -0.7083
414 S A -0.5664
415 F A -0.1281
416 L A 0.0000
417 C A 0.0000
418 Q A -0.3049
419 C A 0.0000
420 G A 0.0000
421 R A -0.4733
422 G A 0.1822
423 Y A 0.7580
424 T A 0.2406
425 G A -0.0654
426 P A -0.2137
427 R A 0.0000
428 C A 0.0000
429 E A -0.8776
430 T A -0.2680
431 D A -0.2204
432 V A 0.6437
433 N A 0.0000
434 E A -1.2700
435 C A -0.1612
436 L A 0.1569
437 S A 0.0946
438 G A -0.6317
439 P A -0.7735
440 C A -0.3175
441 R A -1.1742
442 N A -1.7759
443 Q A -1.3145
444 A A -0.5004
445 T A -0.0334
446 C A 0.2159
447 L A -0.0136
448 D A -1.0269
449 R A -0.9034
450 I A 0.0000
451 G A 0.0000
452 Q A 0.0000
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.0000
457 C A 0.0000
458 M A 0.0226
459 A A 0.0000
460 G A 0.0000
461 F A 0.0000
462 T A -0.5196
463 G A 0.0000
464 T A -0.0021
465 Y A 0.0000
466 C A 0.0000
467 E A -0.5310
468 V A -0.7751
469 D A -2.0329
470 I A -1.8553
471 D A -2.9496
472 E A -1.9560
473 C A 0.0000
474 Q A -2.2411
475 S A -1.2014
476 S A -0.7122
477 P A -0.4896
478 C A -0.3204
479 V A -0.7865
480 N A -1.7860
481 G A -1.2610
482 G A -0.8753
483 V A -0.6747
484 C A -1.6285
485 K A -2.5232
486 D A -2.6532
487 R A -1.7959
488 V A 0.2684
489 N A -0.6928
490 G A -0.0022
491 F A 0.4055
492 S A -0.4129
493 C A -0.0907
494 T A 0.2242
495 C A 0.0271
496 P A -0.2496
497 S A -0.8276
498 G A -0.5486
499 F A 0.3839
500 S A -0.2213
501 G A -0.1876
502 S A -0.4216
503 T A -0.1971
504 C A -0.1857
505 Q A -0.6612
506 L A -0.1072
507 D A -2.1144
508 V A -2.3145
509 D A -3.2444
510 E A -3.1354
511 C A 0.0000
512 A A -1.1224
513 S A -1.1408
514 T A -0.7477
515 P A -0.4869
516 C A -0.9645
517 R A -2.0513
518 N A -1.7701
519 G A -1.4113
520 A A -1.8220
521 K A -2.3379
522 C A -1.5492
523 V A -1.4053
524 D A -3.0482
525 Q A -3.1232
526 P A -2.7350
527 D A -3.0386
528 G A -2.2604
529 Y A -2.0034
530 E A -1.9226
531 C A -1.3414
532 R A -2.1487
533 C A -1.3793
534 A A -0.8567
535 E A -2.1031
536 G A -1.5478
537 F A -0.5156
538 E A -1.5051
539 G A -0.9332
540 T A -0.3824
541 L A 0.3865
542 C A 0.0000
543 D A -1.7194
544 R A -2.5455
545 N A -2.2566
546 V A -1.5221
547 D A -2.6840
548 D A -2.5088
549 C A -1.1802
550 S A -0.9168
551 P A -0.9367
552 D A -1.3078
553 P A -0.8106
554 C A -1.0223
555 H A -1.6816
556 H A -1.9977
557 G A -1.9471
558 R A -2.4106
559 C A -0.9345
560 V A -0.2441
561 D A -1.2636
562 G A 0.0179
563 I A 1.7057
564 A A 1.0528
565 S A 0.1233
566 F A -0.0025
567 S A -0.1615
568 C A 0.0000
569 A A -1.3575
570 C A -1.5083
571 A A -1.2101
572 P A -0.9885
573 G A -0.9316
574 Y A 0.0000
575 T A -0.8742
576 G A -1.2005
577 T A -0.9804
578 R A -1.6531
579 C A -1.6004
580 E A -2.1997
581 S A -1.3822
582 Q A -1.1277
583 V A -0.6956
584 D A 0.0000
585 E A -2.1077
586 C A 0.0000
587 R A -2.2424
588 S A -1.8642
589 Q A -2.3928
590 P A -1.8562
591 C A -1.9701
592 R A -2.4137
593 H A -2.4421
594 G A -1.7561
595 G A 0.0000
596 K A -1.7931
597 C A -1.0117
598 L A 0.2410
599 D A -0.5682
600 L A 0.2231
601 V A -0.1906
602 D A -1.8948
603 K A -1.2115
604 Y A -0.1620
605 L A 0.3341
606 C A -0.3288
607 R A -1.7340
608 C A -1.3731
609 P A 0.0000
610 S A -0.7215
611 G A -0.3936
612 T A 0.8414
613 T A 0.7231
614 G A 0.6738
615 V A 1.0615
616 N A -0.1583
617 C A -0.2741
618 E A 0.6173
619 V A 2.0747
620 N A 1.0947
621 I A 0.9758
622 D A -1.1855
623 D A -2.2288
624 C A -1.0604
625 A A -1.1692
626 S A -0.6549
627 N A -0.8447
628 P A -0.0085
629 C A 1.1723
630 T A 1.4599
631 F A 2.6026
632 G A 2.1152
633 V A 2.0738
634 C A 0.3447
635 R A -1.6536
636 D A -1.6086
637 G A -0.9756
638 I A 1.1818
639 N A -1.1073
640 R A -2.6003
641 Y A -1.7768
642 D A -1.3268
643 C A 0.0000
644 V A 1.9417
645 C A 0.0000
646 Q A 0.4970
647 P A -0.4931
648 G A -1.1073
649 F A 0.0000
650 T A 0.0778
651 G A 0.3152
652 P A 0.5793
653 L A 1.1040
654 C A 0.4688
655 N A 0.2362
656 V A 1.1949
657 E A -0.9573
658 I A -1.2245
659 N A -1.9179
660 E A -1.5697
661 C A -0.1463
662 A A 0.0781
663 S A -0.3753
664 S A 0.1122
665 P A 0.0763
666 C A -0.1693
667 G A -1.1358
668 E A -1.8186
669 G A -1.2914
670 G A -0.6014
671 S A -0.2283
672 C A 0.3028
673 V A 0.7396
674 D A -1.0799
675 G A -1.6734
676 E A -2.9156
677 N A -2.6605
678 G A -1.7614
679 F A -0.7950
680 R A -0.6756
681 C A 0.5898
682 L A 1.1591
683 C A -0.0746
684 P A -0.2662
685 P A -0.6057
686 G A -0.4234
687 S A -0.2596
688 L A -0.0089
689 P A 0.6232
690 P A 0.7396
691 L A 1.8409
692 C A 0.0000
693 L A 0.0000
694 P A 0.0000
695 P A 0.0000
696 S A -0.7455
697 H A -0.4830
698 P A -0.4341
699 C A 0.0000
700 A A -0.8334
701 H A -1.9380
702 E A -2.4619
703 P A -1.8402
704 C A -1.0769
705 S A -0.7485
706 H A -0.5469
707 G A 0.0000
708 I A 0.7540
709 C A 0.0000
710 Y A 0.0508
711 D A -0.5900
712 A A -0.6185
713 P A -0.5529
714 G A -0.9188
715 G A -0.8353
716 F A -0.6977
717 R A -1.5580
718 C A 0.0000
719 V A 0.3744
720 C A -0.1735
721 E A -0.6148
722 P A -0.4011
723 G A -0.2840
724 W A -0.0525
725 S A -0.5362
726 G A -1.0092
727 P A -1.5489
728 R A -2.3074
729 C A 0.0000
730 S A -1.5882
731 Q A -1.2468
732 S A -0.2900
733 L A 0.5946
734 A A -0.6522
735 R A -2.3700
736 D A -3.2064
737 A A -2.0384
738 C A 0.0000
739 E A -2.1757
740 S A -1.9239
741 Q A -1.5481
742 P A -1.4308
743 C A -1.1043
744 R A -2.0933
745 A A -1.2015
746 G A -0.8958
747 G A -0.7357
748 T A -0.5547
749 C A 0.0000
750 S A -1.1829
751 S A 0.0000
752 D A -1.7207
753 G A -1.1835
754 M A -0.1043
755 G A 0.2260
756 F A 0.6372
757 H A -0.1419
758 C A -0.0835
759 T A -0.2896
760 C A 0.0000
761 P A -0.7643
762 P A -0.7268
763 G A -0.4477
764 V A -0.3649
765 Q A -1.0535
766 G A -1.0296
767 R A -2.2161
768 Q A -2.1732
769 C A 0.0000
770 E A -0.8691
771 L A 0.4712
772 L A -0.2655
773 S A -0.2793
774 P A -0.5716
775 C A 0.0000
776 T A -0.5215
777 P A -0.5299
778 N A -1.5787
779 P A -1.2576
780 C A 0.0000
781 E A -0.9491
782 H A 0.0000
783 G A -1.4198
784 G A -1.6172
785 R A -1.6934
786 C A -0.9831
787 E A -0.8769
788 S A 0.0000
789 A A -0.1999
790 P A -0.5241
791 G A -0.5355
792 Q A -0.6590
793 L A 0.6436
794 P A 0.0569
795 V A 0.2517
796 C A 0.0000
797 S A -0.9939
798 C A 0.0000
799 P A -0.8159
800 Q A -0.8206
801 G A -1.1201
802 W A -0.3829
803 Q A -1.7035
804 G A 0.0000
805 P A -0.9641
806 R A -1.9275
807 C A 0.0000
808 Q A -2.3596
809 Q A 0.0000
810 D A -2.2899
811 V A 0.0000
812 D A 0.0000
813 E A -2.0417
814 C A -0.7321
815 A A -0.9178
816 G A -0.8946
817 P A -0.5881
818 A A -0.8161
819 P A -0.5980
820 C A -1.0788
821 G A -0.9029
822 P A -1.2759
823 H A -0.9814
824 G A -0.1758
825 I A 1.6073
826 C A 0.8727
827 T A 0.3975
828 N A -0.4246
829 L A 0.4299
830 A A -0.3984
831 G A 0.0000
832 S A -0.0312
833 F A -0.2229
834 S A 0.1287
835 C A 0.0000
836 T A 0.0856
837 C A 0.0000
838 H A -1.3044
839 G A -0.9662
840 G A -0.8160
841 Y A -1.0234
842 T A -0.8902
843 G A -0.7233
844 P A -0.4933
845 S A -0.6239
846 C A 0.0000
847 D A -1.3524
848 Q A -1.6459
849 D A -1.4472
850 I A -0.8409
851 N A -1.6550
852 D A -1.2051
853 C A -1.0352
854 D A -1.3434
855 P A 0.0000
856 N A -1.5296
857 P A 0.0000
858 C A 0.0000
859 L A -0.6973
860 N A -0.8815
861 G A -1.0744
862 G A -0.9521
863 S A -1.0903
864 C A -1.4355
865 Q A -1.9278
866 D A -2.3056
867 G A -0.9996
868 V A -0.2656
869 G A -0.6605
870 S A -0.6520
871 F A -0.8155
872 S A -1.3223
873 C A 0.0000
874 S A -0.7421
875 C A -0.4938
876 L A 0.0000
877 P A -0.1795
878 G A -0.2964
879 F A 0.0167
880 A A -0.4796
881 G A -0.9451
882 P A -0.9596
883 R A -2.0946
884 C A 0.0000
885 A A -1.1304
886 R A -1.2966
887 D A -0.9900
888 V A 0.5173
889 D A 0.0000
890 E A -1.0391
891 C A 0.4703
892 L A 0.6501
893 S A -0.0030
894 N A 0.0000
895 P A -0.2364
896 C A -0.3150
897 G A -0.4997
898 P A -0.6059
899 G A -0.3744
900 T A -0.0355
901 C A 0.1393
902 T A 0.0245
903 D A 0.1318
904 H A -0.1519
905 V A 0.0000
906 A A -0.1375
907 S A 0.0000
908 F A -0.0027
909 T A 0.0000
910 C A 0.0000
911 T A -0.0601
912 C A -0.3972
913 P A -0.5281
914 P A -0.5475
915 G A -0.5405
916 Y A 0.0000
917 G A 0.0000
918 G A 0.0000
919 F A 0.0000
920 H A -0.5834
921 C A -0.5878
922 E A -1.1368
923 Q A 0.0000
924 D A -0.5932
925 L A 0.0000
926 P A -0.8008
927 D A 0.0000
928 C A -0.3969
929 S A -0.4597
930 P A 0.0000
931 S A 0.0576
932 S A 0.1365
933 C A 0.1764
934 F A -0.4605
935 N A -1.5412
936 G A -0.4940
937 G A 0.1653
938 T A 0.2683
939 C A 0.4691
940 V A 0.6563
941 D A -0.7715
942 G A -0.0006
943 V A 1.2536
944 N A 0.1414
945 S A 0.0360
946 F A 0.3013
947 S A -0.0917
948 C A 0.2557
949 L A 0.0000
950 C A 0.0000
951 R A -0.8378
952 P A -0.9342
953 G A -1.1096
954 Y A 0.0000
955 T A -0.4417
956 G A 0.0000
957 A A 0.0000
958 H A -0.0710
959 C A 0.0000
960 Q A -0.5871
961 H A -0.7737
962 E A -1.3196
963 A A -1.1817
964 D A -2.2201
965 P A -0.7714
966 C A 0.1839
967 L A 0.4308
968 S A -0.6012
969 R A -1.7311
970 P A -1.0656
971 C A -0.3780
972 L A 1.2618
973 H A 0.0000
974 G A -0.2997
975 G A -0.3421
976 V A 0.0000
977 C A -0.4984
978 S A 0.0000
979 A A -0.1227
980 A A -0.1858
981 H A -0.9426
982 P A -0.6490
983 G A -0.6100
984 F A 0.0830
985 R A -0.9981
986 C A 0.0000
987 T A -0.7072
988 C A 0.0000
989 L A 0.6918
990 E A 0.9623
991 S A 0.7521
992 F A 1.4932
993 T A 0.3492
994 G A -0.7244
995 P A -0.8347
996 Q A -1.2178
997 C A 0.0000
998 Q A -0.6685
999 T A 0.8184
1000 L A 1.7214
1001 V A 1.2150
1002 D A -0.5746
1003 W A -0.0949
1004 C A 0.0000
1005 S A -1.2040
1006 R A -1.0636
1007 Q A -1.6924
1008 P A -1.2447
1009 C A -1.1089
1010 Q A -1.8243
1011 N A -2.2291
1012 G A -1.5564
1013 G A -0.9736
1014 R A -0.4166
1015 C A 0.0000
1016 V A 0.9878
1017 Q A 0.0000
1018 T A 0.4228
1019 G A 0.2427
1020 A A 0.2721
1021 Y A 0.8709
1022 C A 0.0000
1023 L A 1.1341
1024 C A 0.4473
1025 P A -0.2031
1026 P A -0.5505
1027 G A -0.9730
1028 W A -0.6570
1029 S A 0.0000
1030 G A 0.1175
1031 R A -0.1575
1032 L A 0.0000
1033 C A 0.0000
1034 D A -2.0197
1035 I A 0.0000
1036 R A -1.8048
1037 S A -0.9318
1038 L A -0.8661
1039 P A -2.0605
1040 C A 0.0000
1041 R A -2.8552
1042 E A -2.6580
1043 A A 0.0000
1044 A A -1.5453
1045 A A -1.3233
1046 Q A -0.9687
1047 I A 0.6506
1048 G A 0.2086
1049 V A -0.6346
1050 R A -2.3046
1051 L A -2.4048
1052 E A -2.9663
1053 Q A -2.4172
1054 L A -1.2143
1055 C A 0.0000
1056 Q A -1.3031
1057 A A -1.0728
1058 G A 0.0000
1059 G A -1.3925
1060 Q A -1.2622
1061 C A 0.0000
1062 V A -0.6747
1063 D A -2.1748
1064 E A -2.7707
1065 D A -2.7133
1066 S A -2.1989
1067 S A -1.8798
1068 H A 0.0000
1069 Y A -0.2322
1070 C A 0.0000
1071 V A -0.0788
1072 C A -0.8724
1073 P A -1.2731
1074 E A -2.0968
1075 G A -1.4433
1076 R A -1.7679
1077 T A -1.3371
1078 G A 0.0000
1079 S A -1.7185
1080 H A -1.5097
1081 C A -1.6155
1082 E A -2.4801
1083 Q A -1.5696
1084 E A -1.2706
1085 V A 0.1533
1086 D A 0.2417
1087 P A 0.5758
1088 C A 0.0000
1089 L A 0.7093
1090 A A 0.3586
1091 Q A 0.3443
1092 P A -0.2578
1093 C A 0.0000
1094 Q A 0.0000
1095 H A -0.8847
1096 G A -0.1974
1097 G A 0.0000
1098 T A -0.6325
1099 C A 0.0000
1100 R A -1.0680
1101 G A 0.4136
1102 Y A 1.4754
1103 M A 0.9926
1104 G A -0.0966
1105 G A 0.7947
1106 Y A 1.5596
1107 M A 1.0836
1108 C A -0.0577
1109 E A -0.5108
1110 C A 0.2164
1111 L A 1.3936
1112 P A 0.6006
1113 G A 0.2971
1114 Y A 0.4023
1115 N A -1.3340
1116 G A -1.0765
1117 D A -2.2267
1118 N A -1.5961
1119 C A -0.3595
1120 E A -0.7922
1121 D A 0.0000
1122 D A -0.1483
1123 V A -0.2882
1124 D A -1.3735
1125 E A -0.7926
1126 C A -0.3255
1127 A A -0.4366
1128 S A -0.9219
1129 Q A -0.9366
1130 P A -0.8560
1131 C A -0.7812
1132 Q A -1.5649
1133 H A -1.2102
1134 G A -1.2084
1135 G A -1.1309
1136 S A -0.3243
1137 C A 0.1761
1138 I A 0.1103
1139 D A 0.0000
1140 L A 0.0000
1141 V A 0.6815
1142 A A 0.0112
1143 R A -0.3028
1144 Y A 0.1309
1145 L A 0.0000
1146 C A 0.1882
1147 S A -0.2351
1148 C A 0.0000
1149 P A -0.4492
1150 P A -0.4240
1151 G A -0.4709
1152 T A 0.0551
1153 L A 1.6865
1154 G A 1.1952
1155 V A 2.6422
1156 L A 2.4747
1157 C A 1.4888
1158 E A -0.0906
1159 I A 0.5010
1160 N A -0.7862
1161 E A -2.4694
1162 D A -2.3070
1163 D A -2.5998
1164 C A -1.2534
1165 G A -1.2075
1166 P A 0.0000
1167 G A 0.0000
1168 P A 0.0046
1169 P A 0.0088
1170 L A -0.0598
1171 D A -1.7478
1172 S A -1.5002
1173 G A -1.6788
1174 P A -1.8704
1175 R A -2.3595
1176 C A 0.0000
1177 L A -1.5205
1178 H A -2.1278
1179 N A -1.8360
1180 G A -1.3389
1181 T A 0.0000
1182 C A 0.0000
1183 V A -1.2851
1184 D A 0.0000
1185 L A -0.8523
1186 V A 0.0000
1187 G A -0.7258
1188 G A -0.5350
1189 F A -0.8065
1190 R A -1.7255
1191 C A -0.6811
1192 T A -0.2596
1193 C A -0.4152
1194 P A -0.5662
1195 P A -0.8724
1196 G A -0.8860
1197 Y A 0.0000
1198 T A -0.3103
1199 G A -0.1981
1200 L A -0.2319
1201 R A 0.0000
1202 C A 0.0000
1203 E A -0.9884
1204 A A 0.0000
1205 D A -0.7660
1206 I A -0.2040
1207 N A -0.7906
1208 E A -0.7313
1209 C A -1.1848
1210 R A -2.3099
1211 S A -1.6643
1212 G A -1.1336
1213 A A -1.0857
1214 C A -1.0473
1215 H A -1.4041
1216 A A -0.8371
1217 A A -0.4632
1218 H A -0.7210
1219 T A 0.0000
1220 R A -0.8658
1221 D A -0.8274
1222 C A 0.0000
1223 L A -0.5828
1224 Q A -1.1147
1225 D A -2.1455
1226 P A -1.3818
1227 G A -1.2185
1228 G A -1.0159
1229 G A -0.7825
1230 F A -0.2903
1231 R A -1.6589
1232 C A 0.0000
1233 L A -0.8035
1234 C A 0.0000
1235 H A -0.5283
1236 A A -0.2678
1237 G A -0.4809
1238 F A 0.0000
1239 S A -0.5819
1240 G A -1.1876
1241 P A -1.5173
1242 R A -2.3754
1243 C A 0.0000
1244 Q A -1.2767
1245 T A -0.2812
1246 V A 0.8388
1247 L A 0.8887
1248 S A 0.0000
1249 P A -0.1557
1250 C A -0.7524
1251 E A -1.1443
1252 S A -1.1849
1253 Q A -1.7291
1254 P A -1.3723
1255 C A -1.2304
1256 Q A -1.3765
1257 H A -0.7379
1258 G A -0.8900
1259 G A -1.0584
1260 Q A -1.4108
1261 C A -0.6671
1262 R A -1.1616
1263 P A -0.3904
1264 S A -0.1492
1265 P A -0.2361
1266 G A -0.2756
1267 P A -0.7142
1268 G A -0.6112
1269 G A -0.3487
1270 G A 0.2978
1271 L A 0.8169
1272 T A 0.2219
1273 F A 0.2340
1274 T A 0.0000
1275 C A 0.0000
1276 H A -0.8387
1277 C A -0.4258
1278 A A -0.4021
1279 Q A 0.0000
1280 P A 0.0000
1281 F A 0.0000
1282 W A -0.6284
1283 G A -0.7796
1284 P A -0.9386
1285 R A -1.2552
1286 C A 0.0000
1287 E A -1.3443
1288 R A -1.1562
1289 V A -0.2348
1290 A A -0.3162
1291 R A -0.9707
1292 S A -0.9397
1293 C A 0.0000
1294 R A -0.5549
1295 E A 0.0461
1296 L A 0.7486
1297 Q A -0.2145
1298 C A 0.0000
1299 P A -0.0066
1300 V A 0.8655
1301 G A 0.0808
1302 V A 0.0000
1303 P A -0.7511
1304 C A 0.0000
1305 Q A -2.4308
1306 Q A -2.3620
1307 T A -1.8562
1308 P A -1.6046
1309 R A -2.7986
1310 G A -1.8254
1311 P A 0.0000
1312 R A -2.5768
1313 C A 0.0000
1314 A A -0.7013
1315 C A -0.0198
1316 P A 0.1995
1317 P A 0.0054
1318 G A 0.1014
1319 L A 1.2841
1320 S A 0.4659
1321 G A -0.4210
1322 P A -0.7550
1323 S A 0.0000
1324 C A 0.0927
1325 R A 0.2225
1326 S A 0.4639
1327 F A 0.8961
1328 P A 0.2257
1329 G A -0.4040
1330 S A -0.4228
1331 P A -0.7024
1332 P A -0.7626
1333 G A -0.8842
1334 A A -0.9405
1335 S A -1.1930
1336 N A -1.8973
1337 A A -1.0699
1338 S A -1.0360
1339 C A 0.0000
1340 A A 0.0000
1341 A A 0.0000
1342 A A 0.0000
1343 P A 0.0000
1344 C A 0.0000
1345 L A -0.5361
1346 H A -1.2435
1347 G A -1.0469
1348 G A -0.9914
1349 S A -1.2646
1350 C A -1.8062
1351 R A -2.7311
1352 P A 0.0000
1353 A A -1.0178
1354 P A -0.6537
1355 L A 0.0000
1356 A A -0.4714
1357 P A -0.5265
1358 F A 0.0000
1359 F A 0.0000
1360 R A -2.1208
1361 C A 0.0000
1362 A A -1.0900
1363 C A -0.8281
1364 A A -0.7815
1365 Q A -1.4934
1366 G A -1.0346
1367 W A -0.6699
1368 T A -0.6768
1369 G A -0.8735
1370 P A -0.7838
1371 R A 0.0000
1372 C A 0.0000
1373 E A -1.0060
1374 A A 0.0000
1375 P A -0.7166
1376 A A -0.3465
1377 A A -0.2799
1378 A A -0.4801
1379 P A -0.7511
1380 E A -1.1238
1381 V A 0.6351
1382 S A -0.1045
1383 E A -1.0998
1384 E A -1.6318
1385 P A -1.7228
1386 R A -2.6176
1387 C A -1.8904
1388 P A -1.6837
1389 R A -2.3685
1390 A A -1.4930
1391 A A -1.6367
1392 C A 0.0000
1393 Q A -2.5444
1394 A A -1.9486
1395 K A 0.0000
1396 R A -3.5620
1397 G A -2.9388
1398 D A -3.4510
1399 Q A -3.5798
1400 R A -3.6394
1401 C A -2.0196
1402 D A -2.3463
1403 R A 0.0000
1404 E A -1.9910
1405 C A 0.0000
1406 N A 0.0000
1407 S A -1.2225
1408 P A -0.9954
1409 G A -0.5848
1410 C A -0.6565
1411 G A -0.6725
1412 W A 0.0000
1413 D A -2.0965
1414 G A 0.0000
1415 G A -1.6978
1416 D A -2.3497
1417 C A -1.5941
1418 S A 0.0000
1419 L A -0.4374
1420 S A 0.0000
1421 V A -0.3462
1422 G A -0.9088
1423 D A -1.1507
1424 P A 0.0000
1425 W A 0.0000
1426 R A -2.7529
1427 Q A -1.6756
1428 C A 0.0000
1429 E A -2.4271
1430 A A -0.6947
1431 L A 0.8215
1432 Q A -0.6193
1433 C A 0.0000
1434 W A 0.0000
1435 R A -0.9653
1436 L A -0.3145
1437 F A 0.0000
1438 N A -2.0538
1439 N A -2.2721
1440 S A -1.8080
1441 R A -2.7369
1442 C A -1.6224
1443 D A -1.5078
1444 P A 0.0000
1445 A A -0.4157
1446 C A 0.1812
1447 S A -0.5284
1448 S A -0.3904
1449 P A 0.0000
1450 A A -0.4137
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 -1.5856
1460 A A -1.2073
1461 G A -1.5725
1462 G A -1.8382
1463 R A -2.4679
1464 E A -1.7778
1465 R A -1.0166
1466 T A -0.6361
1467 C A 0.0000
1468 N A 0.0000
1469 P A -0.2969
1470 V A 0.2780
1471 Y A 0.0000
1472 E A -1.4142
1473 K A -2.1559
1474 Y A -0.5293
1475 C A 0.0000
1476 A A 0.0000
1477 D A -2.0813
1478 H A -0.5072
1479 F A 1.2850
1480 A A 0.7125
1481 D A 0.0000
1482 G A -0.3743
1483 R A 0.0000
1484 C A -0.7790
1485 D A -0.6018
1486 Q A 0.0000
1487 G A 0.0000
1488 C A 0.0000
1489 N A 0.0000
1490 T A -0.5250
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 0.4518
1498 L A 0.4507
1499 D A 0.0000
1500 C A 0.0000
1501 A A 0.0000
1502 S A -0.5594
1503 E A -0.8220
1504 V A 0.4580
1505 P A 0.3662
1506 A A 0.6927
1507 L A 1.1563
1508 L A 0.2951
1509 A A 0.0000
1510 R A 0.0000
1511 G A 0.0000
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 0.8385
1519 L A 0.0342
1520 P A -0.0830
1521 P A -0.6507
1522 E A -2.3881
1523 E A -2.1368
1524 L A 0.0000
1525 L A -0.4285
1526 R A -2.1578
1527 S A -1.6223
1528 S A 0.0000
1529 A A -1.0210
1530 D A -2.0672
1531 F A 0.0000
1532 L A -0.3119
1533 Q A 0.0000
1534 R A -1.1681
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 -0.3767
1545 F A 0.0000
1546 R A 0.0000
1547 L A -0.3972
1548 D A -0.3254
1549 A A 1.0051
1550 H A -0.1282
1551 G A -0.7202
1552 Q A -0.8598
1553 A A 0.3033
1554 M A 0.8357
1555 V A 0.0000
1556 F A 0.7699
1557 P A 0.2063
1558 Y A 0.0000
1559 H A -1.2006
1560 R A -1.1675
1561 P A -0.7804
1562 S A -0.1575
1563 P A -0.7494
1564 G A -1.2038
1565 S A -1.2716
1566 E A -1.6736
1567 P A -1.3315
1568 R A -1.4567
1569 A A 0.0000
1570 R A -2.2383
1571 R A -3.0424
1572 E A -2.3812
1573 L A -0.0187
1574 A A -0.7645
1575 P A -0.7625
1576 E A -1.5956
1577 V A -0.2731
1578 I A 0.5633
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 -0.0043
1588 N A -0.0257
1589 R A 0.3408
1590 L A 0.0000
1591 C A 0.0000
1592 L A 0.2345
1593 Q A -0.3710
1594 S A -0.6350
1595 P A -0.8307
1596 E A 0.0000
1597 N A -1.7717
1598 D A -1.5707
1599 H A -1.6933
1600 C A 0.0000
1601 F A 0.0000
1602 P A -0.6118
1603 D A 0.0000
1604 A A 0.0000
1605 Q A -0.5133
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 0.0000
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 -1.6510
1619 R A -1.0653
1620 L A 0.1441
1621 D A -0.2899
1622 F A 0.0000
1623 P A -0.1372
1624 Y A 0.5417
1625 P A 0.4674
1626 L A 0.4908
1627 R A 0.0000
1628 D A -0.5511
1629 V A 0.0000
1630 R A -0.6547
1631 G A -0.3120
1632 E A 0.0000
1633 P A 0.0000
1634 L A -0.7938
1635 E A -1.8833
1636 P A -0.8001
1637 P A -0.6882
1638 E A -0.2506
1639 P A -0.2762
1640 S A 1.0445
1641 V A 2.4883
1642 P A 2.1194
1643 L A 2.7787
1644 L A 2.9806
1645 P A 2.1548
1646 L A 2.8082
1647 L A 3.4749
1648 V A 3.3164
1649 A A 2.8307
1650 G A 2.8879
1651 A A 2.9685
1652 V A 3.5473
1653 L A 3.5570
1654 L A 4.0807
1655 L A 4.3126
1656 V A 3.7151
1657 I A 3.6504
1658 L A 4.4889
1659 V A 4.3812
1660 L A 3.2148
1661 G A 2.6330
1662 V A 2.9899
1663 M A 2.0174
1664 V A 1.1654
1665 A A -0.1205
1666 R A -1.4778
1667 R A -2.6880
1668 K A -3.3167
1669 R A 0.0000
1670 E A -1.7812
1671 H A -0.7776
1672 S A -0.0230
1673 T A 0.1410
1674 L A 0.9619
1675 W A 1.4430
1676 F A 0.0000
1677 P A 0.0000
1678 E A -1.3482
1679 G A -0.4331
1680 F A 1.3218
1681 S A 0.6832
1682 L A 0.3726
1683 H A -0.7795
1684 K A -1.2429
1685 D A -1.1079
1686 V A -0.4881
1687 A A 0.0000
1688 S A -0.4093
1689 G A -0.7252
1690 H A -0.9012
1691 K A -1.3517
1692 G A -2.0768
1693 R A -2.9435
1694 R A -3.4084
1695 E A -3.1336
1696 P A -1.8682
1697 V A -1.0467
1698 G A 0.0000
1699 Q A -1.2560
1700 D A 0.0000
1701 A A 0.0000
1702 L A 0.0000
1703 G A 0.0000
1704 M A 0.0000
1705 K A -0.9348
1706 N A -1.3951
1707 M A 0.0000
1708 A A 0.0000
1709 K A -2.2518
1710 G A -1.4314
1711 E A 0.0000
1712 S A -0.1333
1713 L A 0.2962
1714 M A 0.3475
1715 G A 0.1051
1716 E A 0.4454
1717 V A 1.3653
1718 A A 0.6559
1719 T A -0.0804
1720 D A -0.2594
1721 W A -0.0255
1722 M A 0.0000
1723 D A -1.2395
1724 T A -1.0983
1725 E A -1.8064
1726 C A -1.4001
1727 P A -1.7956
1728 E A -2.5833
1729 A A -1.9100
1730 K A -2.3353
1731 R A -1.0585
1732 L A 0.8290
1733 K A 0.0000
1734 V A 0.8599
1735 E A -0.3185
1736 E A -1.0489
1737 P A -0.9296
1738 G A -1.0705
1739 M A -0.7580
1740 G A -1.2356
1741 A A -0.8708
1742 E A -1.9051
1743 E A 0.0000
1744 A A -1.2494
1745 V A -0.8680
1746 D A 0.0000
1747 C A 0.0000
1748 R A 0.0000
1749 Q A -0.7196
1750 W A 0.0000
1751 T A -0.0920
1752 Q A -0.4268
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 0.0000
1760 I A 0.0000
1761 R A -0.0846
1762 V A 0.0000
1763 A A 0.2219
1764 P A 0.2542
1765 A A 0.4112
1766 M A 1.3767
1767 A A 0.0000
1768 L A 1.5996
1769 T A 0.3527
1770 P A 0.1187
1771 P A 0.0000
1772 Q A -2.4695
1773 G A -2.0416
1774 D A -2.6985
1775 A A -2.0386
1776 D A -2.0435
1777 A A -1.7097
1778 D A -2.9851
1779 G A -2.5792
1780 M A 0.0000
1781 D A -2.5095
1782 V A -1.0555
1783 N A -0.5503
1784 V A 0.3423
1785 R A 0.0000
1786 G A -0.3037
1787 P A 0.1104
1788 D A 0.0000
1789 G A -1.1042
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 -0.6505
1802 A A -0.1763
1803 L A 0.0000
1804 E A 0.0000
1805 P A -0.1968
1806 M A -0.4116
1807 P A 0.0000
1808 T A 0.0000
1809 E A 0.0000
1810 E A -2.3747
1811 D A -2.1405
1812 E A -2.0842
1813 A A 0.0000
1814 D A -1.6971
1815 D A -2.4758
1816 T A -1.5237
1817 S A 0.0000
1818 A A -1.2453
1819 S A -0.9739
1820 I A 0.0000
1821 I A 0.0000
1822 S A -0.1707
1823 D A -0.4136
1824 L A 0.0000
1825 I A 0.5658
1826 C A 0.3932
1827 Q A -0.6069
1828 G A -0.3681
1829 A A -0.1953
1830 Q A -0.7103
1831 L A 0.4806
1832 G A -0.6393
1833 A A -1.2105
1834 R A -2.3563
1835 T A 0.0000
1836 D A -1.8255
1837 R A -1.4034
1838 T A 0.0000
1839 G A 0.0000
1840 E A 0.0000
1841 T A -0.7064
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 -0.9907
1849 Y A -0.1693
1850 A A -0.6436
1851 R A 0.0000
1852 A A -0.9373
1853 D A -1.3934
1854 A A 0.0000
1855 A A 0.0000
1856 K A -2.5536
1857 R A -2.4225
1858 L A 0.0000
1859 L A 0.0000
1860 D A -2.8788
1861 A A -1.6277
1862 G A -1.5281
1863 A A -0.9020
1864 D A -1.4213
1865 T A 0.0000
1866 N A -0.7696
1867 A A -0.5719
1868 Q A -0.5290
1869 D A 0.0000
1870 H A 0.3556
1871 S A 0.7787
1872 G A 0.2298
1873 R A -0.2483
1874 T A 0.0000
1875 P A 0.0000
1876 L A 0.0000
1877 H A -0.5357
1878 T A 0.0000
1879 A A 0.0000
1880 V A 0.0000
1881 T A -0.8224
1882 A A -1.1458
1883 D A -2.2908
1884 A A 0.0000
1885 Q A -2.0769
1886 G A -1.3539
1887 V A 0.0000
1888 F A 0.0000
1889 Q A -2.0064
1890 I A -1.6356
1891 L A 0.0000
1892 I A -1.3752
1893 R A -2.3230
1894 N A -2.1620
1895 R A -2.2711
1896 S A 0.0000
1897 T A 0.0000
1898 D A 0.0000
1899 L A 0.0000
1900 D A 0.0000
1901 A A 0.0000
1902 R A 0.2334
1903 M A 0.9592
1904 A A 0.1855
1905 D A 0.0000
1906 G A 0.0000
1907 S A -0.4264
1908 T A 0.0000
1909 A A 0.0000
1910 L A 0.0000
1911 I A 0.0000
1912 L A -0.5303
1913 A A 0.0000
1914 A A 0.0000
1915 R A -0.9619
1916 L A -0.6898
1917 A A -1.1364
1918 V A 0.0000
1919 E A -3.0003
1920 G A -2.2563
1921 M A 0.0000
1922 V A 0.0000
1923 E A -2.4750
1924 E A -1.9553
1925 L A 0.0000
1926 I A -0.6835
1927 A A -0.3962
1928 S A -0.5095
1929 H A -0.1808
1930 A A 0.0000
1931 D A -0.4458
1932 V A 0.0000
1933 N A -0.9164
1934 A A 0.0000
1935 V A 0.0000
1936 D A -0.8707
1937 E A -1.0407
1938 L A -0.7981
1939 G A -1.2915
1940 K A -1.0812
1941 S A 0.0000
1942 A A 0.0000
1943 L A 0.0000
1944 H A -0.3363
1945 W A -0.2924
1946 A A 0.0000
1947 A A 0.0000
1948 A A -0.3762
1949 V A 0.1334
1950 N A -0.4715
1951 N A -0.6334
1952 V A 0.0674
1953 E A -1.5271
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.4557
1957 A A -0.9449
1958 L A 0.0000
1959 L A -1.0058
1960 K A -1.9570
1961 N A -2.1766
1962 G A -1.6069
1963 A A -1.5874
1964 N A -1.9753
1965 K A -1.0718
1966 D A -1.3926
1967 M A -1.7357
1968 Q A -2.5772
1969 D A -2.2301
1970 S A -2.2029
1971 K A -2.7144
1972 E A -3.2285
1973 E A -1.9699
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A 0.0000
1979 A A 0.0000
1980 A A 0.0000
1981 R A -1.6999
1982 E A -1.0192
1983 G A -0.9930
1984 S A 0.0000
1985 Y A 0.1373
1986 E A -0.5422
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.3780
1990 L A -0.3852
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.7747
1994 H A -0.5366
1995 F A 0.6681
1996 A A 0.0000
1997 N A 0.0000
1998 R A -1.0698
1999 E A -2.0919
2000 I A 0.0000
2001 T A -2.8102
2002 D A -3.2789
2003 H A -2.3995
2004 L A -1.4745
2005 D A -2.8332
2006 R A -3.5430
2007 L A -2.6125
2008 P A 0.0000
2009 R A -2.9753
2010 D A -2.7946
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -2.5743
2014 E A -1.9587
2015 R A -1.1618
2016 L A -0.7209
2017 H A -1.9848
2018 Q A -2.8177
2019 D A -2.9951
2020 I A 0.0000
2021 V A 0.0000
2022 R A -3.8555
2023 L A -2.4008
2024 L A 0.0000
2025 D A -3.3526
2026 Q A -2.4843
2027 P A -1.5008
2028 S A 0.0000
2029 G A -0.7174
2030 P A -1.2654
2031 R A -2.0350
2032 S A -1.4439
2033 P A -1.4899
2034 P A -1.3227
2035 G A -1.1295
2036 P A -1.0494
2037 H A -0.5973
2038 G A -0.1621
2039 L A 0.8188
2040 G A 0.2050
2041 P A -0.5608
2042 L A 0.2111
2043 L A 0.0000
2044 C A 0.0000
2045 P A 0.0000
2046 P A -0.5740
2047 G A -0.7121
2048 A A -1.6336
2049 F A -1.3240
2050 L A 0.0000
2051 P A -0.7942
2052 G A -0.8304
2053 L A -1.2753
2054 K A -2.1331
2055 A A -1.4608
2056 A A -1.0098
2057 Q A -0.9258
2058 S A -0.5064
2059 G A -0.4499
2060 S A -0.6436
2061 K A -1.5955
2062 K A 0.0000
2063 S A -1.5953
2064 R A -2.2983
2065 R A -2.1913
2066 P A -1.8342
2067 P A -1.5335
2068 G A -2.0393
2069 K A -2.5122
2070 A A -1.5898
2071 G A -0.9763
2072 L A 0.0000
2073 G A -0.6993
2074 P A -0.6405
2075 Q A 0.0000
2076 G A 0.0000
2077 P A -1.1158
2078 R A -1.0520
2079 G A -0.7745
2080 R A 0.0000
2081 G A -0.1577
2082 K A 0.0000
2083 K A 0.4293
2084 L A 1.7092
2085 T A 1.3279
2086 L A 1.5740
2087 A A 0.0000
2088 C A -0.3635
2089 P A 0.0000
2090 G A -0.3765
2091 P A 0.2268
2092 L A 1.4640
2093 A A 0.5539
2094 D A -0.6315
2095 S A -0.0023
2096 S A -0.0343
2097 V A 0.2497
2098 T A 0.0168
2099 L A 0.1019
2100 S A -0.1455
2101 P A -0.1534
2102 V A 0.5217
2103 D A -0.1938
2104 S A -0.5688
2105 L A 0.0000
2106 D A -2.3316
2107 S A -1.5237
2108 P A -1.2764
2109 R A -1.1516
2110 P A 0.2835
2111 F A 2.0906
2112 G A 1.6601
2113 G A 1.4146
2114 P A 0.5993
2115 P A 0.3604
2116 A A -0.2367
2117 S A -0.8080
2118 P A -0.6265
2119 G A -0.5690
2120 G A -0.1796
2121 F A 0.2955
2122 P A -0.2516
2123 L A 0.0000
2124 E A -1.7102
2125 G A -0.9589
2126 P A -0.2269
2127 Y A 0.7886
2128 A A 0.7012
2129 A A 0.3488
2130 A A -0.0332
2131 T A -0.1797
2132 A A 0.0361
2133 T A 0.0000
2134 A A 0.0000
2135 V A 1.5763
2136 S A 0.8666
2137 L A 1.4189
2138 A A 0.0000
2139 Q A -0.1853
2140 L A -0.1642
2141 G A -1.0537
2142 G A -1.1952
2143 P A -1.2654
2144 G A -1.6519
2145 R A -2.2752
2146 A A -1.0131
2147 G A -1.0162
2148 L A -0.4888
2149 G A -1.4297
2150 R A -2.3843
2151 Q A -2.0156
2152 P A -1.2274
2153 P A -1.2135
2154 G A -1.4480
2155 G A -1.2545
2156 C A 0.0000
2157 V A 0.1188
2158 L A 1.0975
2159 S A 0.9638
2160 L A 1.7563
2161 G A 0.9188
2162 L A 1.0087
2163 L A 1.1532
2164 N A -0.5016
2165 P A -0.2968
2166 V A 0.0463
2167 A A 0.0167
2168 V A 0.0000
2169 P A 0.0000
2170 L A -0.4025
2171 D A -1.5216
2172 W A -0.4012
2173 A A 0.0000
2174 R A -1.7477
2175 L A -0.7329
2176 P A -0.2525
2177 P A -0.8099
2178 P A -0.3576
2179 A A -0.4482
2180 P A -0.4065
2181 P A -0.7070
2182 G A -0.7363
2183 P A -0.2626
2184 S A 0.6859
2185 F A 2.4622
2186 L A 3.0338
2187 L A 2.7438
2188 P A 1.7047
2189 L A 1.4451
2190 A A 0.7568
2191 P A -0.0125
2192 G A -0.1691
2193 P A -0.2495
2194 Q A -0.4630
2195 L A 0.5856
2196 L A 1.1944
2197 N A 0.0000
2198 P A -0.0643
2199 G A -0.0682
2200 T A 0.1676
2201 P A 0.5698
2202 V A 1.4729
2203 S A 0.0967
2204 P A -0.9780
2205 Q A -2.3365
2206 E A -3.3715
2207 R A -3.3648
2208 P A -1.8465
2209 P A -0.7783
2210 P A 0.2486
2211 Y A 1.0063
2212 L A 0.8828
2213 A A 0.2171
2214 V A 0.0000
2215 P A -0.9283
2216 G A -1.5711
2217 H A -2.0045
2218 G A -2.4465
2219 E A -3.5197
2220 E A -3.0692
2221 Y A -1.5675
2222 P A -0.8941
2223 A A -0.4855
2224 A A -0.1690
2225 G A -0.6695
2226 A A -0.5946
2227 H A -0.8505
2228 S A -0.5070
2229 S A -0.4927
2230 P A -0.6262
2231 P A -0.9340
2232 K A -0.8554
2233 A A -0.7660
2234 R A -0.9551
2235 F A 1.1761
2236 L A 1.0267
2237 R A -0.0400
2238 V A 0.0638
2239 P A -0.7613
2240 S A -0.7541
2241 E A -0.8848
2242 H A -0.5867
2243 P A -0.4526
2244 Y A 0.0000
2245 L A 1.1580
2246 T A 0.2072
2247 P A -0.9052
2248 S A -0.9303
2249 P A -1.3135
2250 E A -1.2577
2251 S A -1.0208
2252 P A -1.2947
2253 E A -1.4792
2254 H A -0.5826
2255 W A 0.6616
2256 A A 0.3382
2257 S A 0.0047
2258 P A -0.1014
2259 S A -0.1299
2260 P A 0.1318
2261 P A 0.0666
2262 S A 0.1601
2263 L A 0.0095
2264 S A -0.6503
2265 D A -1.6557
2266 W A -0.6838
2267 S A -0.5403
2268 E A 0.0000
2269 S A -0.4384
2270 T A 0.0000
2271 P A -0.3028
2272 S A 0.0000
2273 P A -0.2318
2274 A A 0.0656
2275 T A -0.6400
2276 A A -0.4948
2277 T A -0.5006
2278 G A -0.3482
2279 A A -0.0030
2280 M A 0.2615
2281 A A -0.0208
2282 T A -0.0760
2283 T A -0.0787
2284 T A -0.2032
2285 G A -0.4770
2286 A A -0.0395
2287 L A 0.2309
2288 P A 0.0000
2289 A A 0.0000
2290 Q A 0.0000
2291 P A -0.4172
2292 L A 0.1296
2293 P A -0.0174
2294 L A 0.3996
2295 S A 0.2287
2296 V A 0.3352
2297 P A -0.2407
2298 S A -0.1739
2299 S A -0.4502
2300 L A -0.2788
2301 A A -0.3479
2302 Q A -0.4833
2303 A A -0.7709
2304 Q A -1.5579
2305 T A -1.1982
2306 Q A -1.1975
2307 L A -0.0534
2308 G A -0.7274
2309 P A -1.0763
2310 Q A -1.2527
2311 P A -1.2818
2312 E A -1.2131
2313 V A 0.4904
2314 T A 0.0362
2315 P A -0.5138
2316 K A -0.5649
2317 R A 0.0000
2318 Q A -0.3870
2319 V A 0.0000
2320 L A 1.6899
2321 A A 0.0000
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, -0.5282 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 -0.5282 View CSV PDB
model_0 -0.5395 View CSV PDB
model_6 -0.5446 View CSV PDB
model_2 -0.5656 View CSV PDB
model_4 -0.5714 View CSV PDB
CABS_average -0.5721 View CSV PDB
model_3 -0.5736 View CSV PDB
model_10 -0.5777 View CSV PDB
model_11 -0.5858 View CSV PDB
model_8 -0.5867 View CSV PDB
model_1 -0.5877 View CSV PDB
model_7 -0.5916 View CSV PDB
model_5 -0.6133 View CSV PDB
input -0.7762 View CSV PDB