Project name: C311Y_5_4D_D

Status: done

Started: 2026-06-01 07:16:34
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESYSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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                                          (00:00:03)
[INFO]       CABS:     Running CABS flex simulation                                                (00:22:37)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (15:22:02)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (15:22:47)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (15:23:31)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (15:24:16)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (15:25:00)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (15:25:45)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (15:26:29)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (15:27:12)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (15:27:57)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (15:28:43)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (15:29:28)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (15:30:15)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (15:31:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (15:32:28)
[INFO]       Main:     Simulation completed successfully.                                          (15:33:11)
Show buried residues

Minimal score value
-2.6482
Maximal score value
2.154
Average score
-0.223
Total score value
-517.6221

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 1.0430
2 G A 0.0174
3 P A -0.3578
4 G A -0.5185
5 A A -0.1588
6 R A -0.4756
7 G A -0.3418
8 R A -0.7112
9 R A -2.0340
10 R A -2.3410
11 R A -1.4492
12 R A -0.7061
13 R A -0.8583
14 P A -0.1885
15 M A 0.3725
16 S A 0.0000
17 P A 0.0000
18 P A -0.0638
19 P A -0.0159
20 P A 0.0000
21 P A -0.2772
22 P A 0.0151
23 P A 0.0000
24 V A 0.6833
25 R A 0.0000
26 A A 0.0521
27 L A 0.0000
28 P A -0.1145
29 L A 0.7460
30 L A 0.3724
31 L A 0.6638
32 L A 1.8297
33 L A 1.3983
34 A A 0.1539
35 G A -0.4718
36 P A -0.2100
37 G A -0.3137
38 A A 0.0025
39 A A 0.0373
40 A A 0.0509
41 P A 0.0000
42 P A -0.2543
43 C A 0.0000
44 L A 0.0000
45 D A -1.8796
46 G A -0.8178
47 S A -0.1420
48 P A -0.1389
49 C A 0.0000
50 A A 0.0027
51 N A -0.3738
52 G A -0.6101
53 G A -0.6873
54 R A -0.7984
55 C A 0.0000
56 T A -0.0340
57 Q A 0.0000
58 L A 0.8568
59 P A 0.0505
60 S A -0.5784
61 R A -2.2341
62 E A -2.1741
63 A A 0.0000
64 A A -0.0195
65 C A 0.0000
66 L A 0.6917
67 C A 0.1904
68 P A -0.1487
69 P A -0.3202
70 G A -0.4698
71 W A 0.0000
72 V A 0.0000
73 G A 0.0000
74 E A -1.3421
75 R A -2.0119
76 C A -0.4965
77 Q A -1.1772
78 L A 0.0000
79 E A -1.6620
80 D A -2.0989
81 P A -0.4982
82 C A 0.0782
83 H A -0.1870
84 S A -0.3366
85 G A -0.5172
86 P A -0.1413
87 C A 0.0000
88 A A -0.0313
89 G A -0.8099
90 R A -2.0233
91 G A -0.6943
92 V A 0.5479
93 C A 0.1627
94 Q A -0.3022
95 S A -0.0224
96 S A 0.0000
97 V A 0.6802
98 V A 1.6719
99 A A 0.3225
100 G A -0.1443
101 T A 0.0815
102 A A -0.3565
103 R A -1.7350
104 F A 0.2209
105 S A 0.0000
106 C A 0.0000
107 R A -1.8441
108 C A 0.0000
109 P A -0.5310
110 R A -1.5068
111 G A -0.3413
112 F A 0.0188
113 R A -0.1686
114 G A 0.0000
115 P A -0.5860
116 D A -1.8365
117 C A 0.0000
118 S A 0.1284
119 L A 1.0770
120 P A -0.1289
121 D A -1.1624
122 P A -0.2870
123 C A 0.1381
124 L A 0.0000
125 S A -0.2218
126 S A -0.1388
127 P A -0.2376
128 C A 0.0950
129 A A -0.0499
130 H A -0.6371
131 G A -0.5704
132 A A 0.0000
133 R A -1.8441
134 C A 0.0000
135 S A -0.2129
136 V A 0.0000
137 G A -0.3341
138 P A 0.0000
139 D A -1.8643
140 G A -1.0849
141 R A -1.8704
142 F A 0.1907
143 L A 1.6184
144 C A 0.3945
145 S A -0.0678
146 C A 0.0515
147 P A -0.1079
148 P A -0.3061
149 G A -0.2032
150 Y A -0.0248
151 Q A -0.7604
152 G A -0.7179
153 R A -1.9822
154 S A -0.5258
155 C A -0.0413
156 R A -1.1018
157 S A -0.6132
158 D A -0.8232
159 V A 0.9213
160 D A -0.3508
161 E A -0.5016
162 C A 0.0000
163 R A -1.6016
164 V A 0.9631
165 G A -0.3289
166 E A -0.8360
167 P A -0.4233
168 C A -0.2225
169 R A -1.4680
170 H A -1.3812
171 G A -0.7441
172 G A -0.6737
173 T A 0.0000
174 C A 0.2940
175 L A 0.5341
176 N A -0.5954
177 T A -0.2915
178 P A -0.2879
179 G A -0.1432
180 S A 0.0435
181 F A 0.6232
182 R A -1.6420
183 C A 0.0000
184 Q A -1.0856
185 C A -0.1723
186 P A -0.0698
187 A A -0.0132
188 G A 0.1941
189 Y A 1.3102
190 T A 0.0843
191 G A -0.0980
192 P A 0.0301
193 L A 1.5595
194 C A 0.2592
195 E A -2.0030
196 N A -1.6671
197 P A -0.4813
198 A A 0.2130
199 V A 0.1991
200 P A -0.1125
201 C A 0.1674
202 A A -0.0045
203 P A -0.2661
204 S A -0.1445
205 P A -0.1671
206 C A -0.1973
207 R A -1.3781
208 N A -0.5905
209 G A -0.6033
210 G A -0.5697
211 T A -0.0847
212 C A 0.0357
213 R A -1.9837
214 Q A -1.4912
215 S A -0.4687
216 G A -0.5958
217 D A -1.6056
218 L A 0.8747
219 T A 0.1829
220 Y A -0.0993
221 D A -0.5690
222 C A 0.0000
223 A A 0.0075
224 C A 0.0000
225 L A 1.5477
226 P A 0.0000
227 G A -0.4663
228 F A 0.0000
229 E A -1.4946
230 G A -0.6007
231 Q A 0.0000
232 N A -1.1370
233 C A 0.2980
234 E A -0.6759
235 V A 0.9215
236 N A 0.0438
237 V A 0.0000
238 D A -0.2395
239 D A 0.0000
240 C A 0.0000
241 P A -0.1197
242 G A -0.4721
243 H A 0.0000
244 R A 0.0000
245 C A 0.0000
246 L A 1.4821
247 N A -0.1336
248 G A -0.5805
249 G A -0.3493
250 T A 0.0000
251 C A 0.0000
252 V A 0.6189
253 D A 0.0000
254 G A -0.1326
255 V A 0.3433
256 N A -0.3978
257 T A -0.1663
258 Y A 0.0000
259 N A -0.7191
260 C A 0.0000
261 Q A -0.2028
262 C A 0.0000
263 P A 0.0000
264 P A -0.1364
265 E A 0.0000
266 W A 0.0000
267 T A 0.0000
268 G A -0.2627
269 Q A -0.8168
270 F A 0.7350
271 C A 0.0000
272 T A -0.1063
273 E A -0.5947
274 D A -1.2901
275 V A 0.0000
276 D A -0.2017
277 E A 0.0000
278 C A 0.0000
279 Q A -1.1983
280 L A 0.0000
281 Q A -0.2007
282 P A 0.0000
283 N A 0.0000
284 A A 0.0000
285 C A 0.0000
286 H A 0.0000
287 N A 0.0000
288 G A 0.0000
289 G A -0.0690
290 T A -0.0152
291 C A 0.4867
292 F A 1.8465
293 N A -0.2648
294 T A 0.1401
295 L A 1.5191
296 G A 0.1604
297 G A -0.0781
298 H A 0.0000
299 S A 0.1965
300 C A 0.0000
301 V A 0.4480
302 C A 0.0000
303 V A 0.2813
304 N A -0.1362
305 G A 0.0000
306 W A 0.0000
307 T A 0.0000
308 G A 0.0000
309 E A -0.3595
310 S A 0.0000
311 Y A 0.0000
312 S A 0.0000
313 Q A -0.3578
314 N A 0.0000
315 I A 0.3760
316 D A 0.0000
317 D A 0.0000
318 C A 0.0000
319 A A 0.0561
320 T A -0.0013
321 A A 0.0000
322 V A 1.0807
323 C A 0.0000
324 F A 1.9410
325 H A 0.0000
326 G A -0.4769
327 A A -0.0943
328 T A 0.0000
329 C A 0.0000
330 H A -0.4448
331 D A -0.5068
332 R A -0.7807
333 V A 0.0769
334 A A 0.0000
335 S A 0.0000
336 F A 0.0000
337 Y A 0.1071
338 C A 0.0000
339 A A 0.0000
340 C A 0.0799
341 P A 0.0000
342 M A 0.2515
343 G A -0.1225
344 K A -0.5505
345 T A 0.0000
346 G A 0.0473
347 L A 0.8228
348 L A 0.0000
349 C A 0.0000
350 H A 0.1148
351 L A 1.1692
352 D A -1.5758
353 D A 0.0000
354 A A 0.0500
355 C A 0.0000
356 V A 0.0000
357 S A -0.0763
358 N A 0.0000
359 P A -0.2410
360 C A -0.1255
361 H A -1.0868
362 E A -2.0828
363 D A -0.8964
364 A A 0.0000
365 I A 1.1627
366 C A 0.1027
367 D A -1.3036
368 T A -0.3058
369 N A -0.1818
370 P A 0.0248
371 V A 0.0000
372 N A -0.5623
373 G A -0.9434
374 R A -1.6269
375 A A -0.1796
376 I A 0.5916
377 C A 0.2805
378 T A 0.0266
379 C A 0.0423
380 P A -0.2694
381 P A -0.3762
382 G A -0.5118
383 F A 0.0000
384 T A -0.0700
385 G A -0.3440
386 G A -0.4855
387 A A 0.0355
388 C A 0.0051
389 D A -1.8998
390 Q A -1.6162
391 D A -1.9228
392 V A -0.4464
393 D A -1.6606
394 E A 0.0000
395 C A 0.2982
396 S A 0.0768
397 I A 0.3175
398 G A -0.3759
399 A A -0.2672
400 N A -1.3312
401 P A -0.7664
402 C A -0.2905
403 E A -1.8976
404 H A -0.5249
405 L A 0.9445
406 G A 0.1363
407 R A 0.0000
408 C A 0.0000
409 V A 0.0000
410 N A 0.0000
411 T A -0.2855
412 Q A -1.2927
413 G A -0.7295
414 S A -0.2586
415 F A 0.2283
416 L A 0.2004
417 C A 0.0000
418 Q A 0.0000
419 C A 0.0000
420 G A 0.0000
421 R A -1.8532
422 G A -0.4321
423 Y A 0.0000
424 T A -0.0008
425 G A 0.0000
426 P A -0.5120
427 R A -1.8750
428 C A 0.0000
429 E A -1.7759
430 T A -0.4032
431 D A 0.0840
432 V A 1.6433
433 N A -0.1090
434 E A 0.0000
435 C A 0.8938
436 L A 0.9996
437 S A 0.0518
438 G A -0.4763
439 P A -0.0585
440 C A -0.0491
441 R A -2.0208
442 N A -1.7676
443 Q A -1.0663
444 A A -0.3608
445 T A -0.0040
446 C A 0.4031
447 L A 0.9596
448 D A -0.7123
449 R A -1.7444
450 I A 0.8156
451 G A -0.5315
452 Q A -1.2636
453 F A 0.0000
454 T A -0.0669
455 C A 0.0000
456 I A 1.8113
457 C A 0.5449
458 M A 0.6282
459 A A 0.2932
460 G A -0.2764
461 F A 1.9000
462 T A 0.2215
463 G A -0.6647
464 T A -0.0371
465 Y A 0.6243
466 C A 0.0000
467 E A -1.2994
468 V A 0.1097
469 D A -1.6830
470 I A -0.2741
471 D A -1.3749
472 E A -1.5636
473 C A -0.0887
474 Q A -0.5086
475 S A -0.3243
476 S A -0.2075
477 P A -0.2677
478 C A 0.0000
479 V A 1.0805
480 N A -1.1156
481 G A -0.7954
482 G A -0.5563
483 V A 0.0000
484 C A -0.2395
485 K A -1.7729
486 D A -1.1080
487 R A -1.6152
488 V A 1.0869
489 N A -1.0478
490 G A -0.6402
491 F A 0.1362
492 S A -0.1309
493 C A 0.0694
494 T A 0.0015
495 C A 0.2208
496 P A 0.0336
497 S A -0.1568
498 G A -0.1407
499 F A 1.8845
500 S A 0.1817
501 G A -0.5368
502 S A -0.3154
503 T A -0.1621
504 C A 0.0000
505 Q A -1.1704
506 L A -0.1691
507 D A -1.7446
508 V A -0.3943
509 D A -1.8076
510 E A -0.5689
511 C A 0.6768
512 A A 0.1833
513 S A -0.0714
514 T A -0.1322
515 P A -0.1330
516 C A 0.4804
517 R A -1.0397
518 N A -1.5397
519 G A -0.7022
520 A A -0.3355
521 K A -1.6139
522 C A 0.2836
523 V A 0.3617
524 D A -1.3724
525 Q A -1.5025
526 P A -0.7938
527 D A -1.8645
528 G A -0.5877
529 Y A -0.1368
530 E A -1.3472
531 C A -0.3270
532 R A -1.7468
533 C A -0.0443
534 A A 0.0191
535 E A -0.5745
536 G A -0.1949
537 F A 1.5039
538 E A -1.4777
539 G A -0.5222
540 T A 0.2005
541 L A 1.6732
542 C A 0.9302
543 D A -0.4628
544 R A -1.0592
545 N A -1.2745
546 V A 0.1437
547 D A -1.8275
548 D A -1.1364
549 C A 0.5522
550 S A 0.0603
551 P A -0.4075
552 D A -0.8674
553 P A -0.3803
554 C A -0.1084
555 H A -1.1563
556 H A -1.2413
557 G A -0.8592
558 R A -1.8859
559 C A 0.1160
560 V A 1.7350
561 D A 0.1604
562 G A -0.1491
563 I A 1.8437
564 A A 0.4286
565 S A 0.0565
566 F A 1.2960
567 S A 0.0907
568 C A 0.1461
569 A A 0.0620
570 C A 0.0000
571 A A 0.0397
572 P A -0.1207
573 G A 0.0443
574 Y A 1.2739
575 T A 0.1874
576 G A -0.2441
577 T A -0.4589
578 R A -1.8573
579 C A 0.0000
580 E A -1.8236
581 S A -0.5809
582 Q A -1.1359
583 V A -0.2088
584 D A -1.1402
585 E A -0.7424
586 C A 0.0000
587 R A -1.9497
588 S A -0.6101
589 Q A -0.5422
590 P A -0.1322
591 C A 0.0905
592 R A -1.4791
593 H A -1.3370
594 G A -0.7081
595 G A -0.7037
596 K A -1.7357
597 C A -0.0673
598 L A 0.6039
599 D A 0.0652
600 L A 1.6541
601 V A 0.8606
602 D A -1.8689
603 K A -1.4557
604 Y A 1.1270
605 L A 0.7526
606 C A -0.0405
607 R A -1.7857
608 C A -0.4197
609 P A -0.2685
610 S A -0.2996
611 G A -0.5299
612 T A -0.1503
613 T A -0.1639
614 G A -0.2700
615 V A 1.4426
616 N A -0.9834
617 C A 0.0000
618 E A 0.0082
619 V A 1.0261
620 N A 0.2217
621 I A 1.3181
622 D A -1.2903
623 D A -0.9546
624 C A 0.3278
625 A A 0.0223
626 S A -0.2856
627 N A -0.4805
628 P A -0.3155
629 C A 0.0172
630 T A 0.0907
631 F A 0.6608
632 G A -0.1161
633 V A 0.9911
634 C A -0.0696
635 R A -1.8882
636 D A -0.6131
637 G A 0.0265
638 I A 1.0328
639 N A -1.4748
640 R A -1.8642
641 Y A -0.2235
642 D A -0.8934
643 C A 0.0000
644 V A 0.9195
645 C A 0.0000
646 Q A -0.6642
647 P A -0.4623
648 G A -0.2851
649 F A 0.5254
650 T A 0.1317
651 G A -0.2558
652 P A -0.1043
653 L A 1.4993
654 C A 0.0000
655 N A -1.2361
656 V A -0.3903
657 E A -1.5535
658 I A -0.0784
659 N A -1.2796
660 E A -0.7343
661 C A 0.4702
662 A A 0.1578
663 S A -0.0412
664 S A 0.0000
665 P A -0.2549
666 C A 0.0000
667 G A -0.8109
668 E A -2.0554
669 G A -0.9013
670 G A -0.7833
671 S A 0.0000
672 C A 0.4325
673 V A 0.6538
674 D A -1.2255
675 G A -0.8117
676 E A -2.0999
677 N A -1.6808
678 G A -0.4879
679 F A 0.0456
680 R A -1.7257
681 C A -0.0693
682 L A 0.6448
683 C A 0.5034
684 P A -0.1353
685 P A -0.2400
686 G A -0.5336
687 S A -0.3012
688 L A 0.0000
689 P A -0.2706
690 P A -0.1001
691 L A 0.1669
692 C A 0.2097
693 L A 0.3169
694 P A -0.0456
695 P A -0.2969
696 S A -0.2276
697 H A 0.0000
698 P A -0.1269
699 C A 0.1356
700 A A -0.1011
701 H A -1.3357
702 E A -2.0575
703 P A -0.5961
704 C A 0.0000
705 S A -0.3357
706 H A -0.6883
707 G A -0.1995
708 I A 0.2578
709 C A 0.0000
710 Y A -0.1501
711 D A -0.9647
712 A A -0.2417
713 P A -0.3982
714 G A -0.6048
715 G A -0.5089
716 F A -0.1645
717 R A -1.6862
718 C A 0.0000
719 V A 1.2451
720 C A 0.2032
721 E A -0.5185
722 P A -0.3659
723 G A -0.0104
724 W A 0.6007
725 S A 0.0660
726 G A -0.1815
727 P A -0.5291
728 R A -1.3496
729 C A 0.0000
730 S A -0.1780
731 Q A 0.0000
732 S A 0.0828
733 L A 1.5179
734 A A -0.0065
735 R A -2.1707
736 D A -2.1264
737 A A -0.1405
738 C A 0.3918
739 E A -1.7144
740 S A -0.6665
741 Q A -0.7717
742 P A -0.3026
743 C A 0.0593
744 R A -1.7478
745 A A -0.3869
746 G A -0.5314
747 G A -0.4959
748 T A -0.1176
749 C A 0.0000
750 S A -0.1169
751 S A 0.0000
752 D A -1.7513
753 G A -0.6086
754 M A 0.7129
755 G A 0.1124
756 F A 0.2533
757 H A -0.8813
758 C A -0.1037
759 T A -0.0528
760 C A 0.0000
761 P A -0.2749
762 P A -0.2062
763 G A -0.0666
764 V A 1.1596
765 Q A -0.3551
766 G A -0.9099
767 R A -2.1615
768 Q A -1.5230
769 C A -0.3632
770 E A -1.4664
771 L A 0.1562
772 L A 0.9077
773 S A -0.0148
774 P A -0.1099
775 C A 0.6810
776 T A 0.0768
777 P A -0.2100
778 N A -0.6886
779 P A -0.2456
780 C A -0.1556
781 E A -1.2554
782 H A 0.0000
783 G A 0.0000
784 G A -0.5015
785 R A -1.7934
786 C A -0.2819
787 E A -1.7495
788 S A -0.4081
789 A A -0.0443
790 P A -0.3204
791 G A -0.7424
792 Q A -0.9866
793 L A 1.2948
794 P A 0.2341
795 V A 0.1931
796 C A 0.0000
797 S A -0.0364
798 C A 0.0000
799 P A -0.1090
800 Q A -0.2229
801 G A -0.3566
802 W A 0.1197
803 Q A -1.0703
804 G A -0.6013
805 P A -0.5907
806 R A -1.6246
807 C A -0.4376
808 Q A -1.2072
809 Q A -0.3825
810 D A 0.0000
811 V A 0.0000
812 D A -1.9062
813 E A -0.7545
814 C A 0.6338
815 A A 0.0683
816 G A -0.4937
817 P A -0.2464
818 A A -0.0696
819 P A -0.2157
820 C A 0.1428
821 G A -0.2239
822 P A -0.4539
823 H A -1.0673
824 G A 0.0742
825 I A 2.0543
826 C A 0.7217
827 T A -0.1958
828 N A -0.9768
829 L A 1.2910
830 A A 0.2958
831 G A 0.1141
832 S A -0.0347
833 F A 0.0000
834 S A -0.0255
835 C A 0.0000
836 T A -0.0634
837 C A 0.0000
838 H A -1.0429
839 G A -0.7413
840 G A -0.5618
841 Y A 0.0368
842 T A 0.0000
843 G A -0.1953
844 P A -0.1410
845 S A -0.0662
846 C A -0.1298
847 D A -1.4773
848 Q A -1.2576
849 D A -1.5483
850 I A 1.5522
851 N A -0.4099
852 D A -0.8490
853 C A -0.2221
854 D A -1.2027
855 P A -0.5233
856 N A -0.3029
857 P A -0.3027
858 C A 0.0000
859 L A 0.6451
860 N A -0.0598
861 G A -0.1659
862 G A -0.0862
863 S A -0.0608
864 C A 0.0000
865 Q A -0.5568
866 D A -0.0772
867 G A -0.0484
868 V A 0.8537
869 G A -0.3950
870 S A 0.1184
871 F A 1.5997
872 S A 0.2394
873 C A 0.6058
874 S A -0.0390
875 C A 0.4591
876 L A 1.5888
877 P A 0.0000
878 G A -0.2335
879 F A 1.0895
880 A A 0.2681
881 G A -0.1426
882 P A -0.6196
883 R A -1.8918
884 C A 0.0000
885 A A 0.0180
886 R A 0.0000
887 D A -1.7475
888 V A -0.4769
889 D A -1.8514
890 E A -0.8482
891 C A 0.0418
892 L A 0.0000
893 S A 0.0000
894 N A 0.0000
895 P A -0.0280
896 C A 0.0000
897 G A -0.1176
898 P A -0.0994
899 G A -0.0891
900 T A -0.0578
901 C A 0.0000
902 T A -0.1386
903 D A -0.7174
904 H A -0.6554
905 V A 0.0000
906 A A 0.0211
907 S A 0.0000
908 F A 0.0000
909 T A 0.0000
910 C A 0.0000
911 T A -0.0146
912 C A 0.0000
913 P A -0.3494
914 P A -0.4027
915 G A -0.5416
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 -0.4898
923 Q A 0.0000
924 D A 0.0000
925 L A 1.5407
926 P A -0.0373
927 D A -1.6191
928 C A 0.0000
929 S A -0.0904
930 P A -0.2999
931 S A -0.2587
932 S A 0.0000
933 C A 0.0000
934 F A 1.3048
935 N A -0.5752
936 G A -0.6432
937 G A -0.3826
938 T A -0.1168
939 C A 0.2484
940 V A 0.7114
941 D A -0.5025
942 G A -0.2377
943 V A 0.0000
944 N A -0.6417
945 S A -0.2043
946 F A 0.0000
947 S A -0.0467
948 C A 0.0000
949 L A 1.6109
950 C A 0.3197
951 R A -1.5712
952 P A -0.6163
953 G A -0.2123
954 Y A 0.5053
955 T A 0.0935
956 G A -0.1069
957 A A 0.0000
958 H A 0.0000
959 C A 0.0000
960 Q A -0.1393
961 H A 0.0000
962 E A -1.0078
963 A A -0.3677
964 D A -1.1255
965 P A -0.1406
966 C A 0.8516
967 L A 0.7798
968 S A -0.2934
969 R A -1.2249
970 P A -0.4766
971 C A 0.0000
972 L A 1.3580
973 H A -0.7965
974 G A -0.6803
975 G A -0.3378
976 V A 0.0000
977 C A 0.1493
978 S A 0.0000
979 A A 0.0000
980 A A -0.0133
981 H A 0.0000
982 P A -0.2851
983 G A -0.2125
984 F A 0.0000
985 R A -1.2092
986 C A 0.0000
987 T A 0.0000
988 C A 0.0000
989 L A 0.2005
990 E A -0.8944
991 S A -0.2821
992 F A 0.4434
993 T A -0.0458
994 G A -0.2318
995 P A -0.3664
996 Q A -0.4252
997 C A 0.0000
998 Q A -1.2039
999 T A 0.0387
1000 L A 1.7444
1001 V A 0.8206
1002 D A -1.5778
1003 W A -0.0608
1004 C A 0.1065
1005 S A -0.2875
1006 R A -0.7545
1007 Q A -1.3312
1008 P A -0.4408
1009 C A 0.0000
1010 Q A -1.4402
1011 N A -1.5902
1012 G A -0.8002
1013 G A -0.9106
1014 R A -1.8914
1015 C A -0.0331
1016 V A 0.4074
1017 Q A -1.0934
1018 T A -0.3581
1019 G A -0.4648
1020 A A -0.0411
1021 Y A 0.0000
1022 C A 0.6370
1023 L A 1.4651
1024 C A 0.0000
1025 P A -0.0967
1026 P A -0.3523
1027 G A -0.4566
1028 W A -0.0355
1029 S A 0.0160
1030 G A -0.1809
1031 R A -0.5968
1032 L A 0.1788
1033 C A 0.0000
1034 D A 0.0000
1035 I A 0.0000
1036 R A -1.7978
1037 S A -0.4072
1038 L A -0.0033
1039 P A 0.0149
1040 C A 0.0000
1041 R A -2.1898
1042 E A -2.1680
1043 A A -0.3415
1044 A A 0.0000
1045 A A -0.2197
1046 Q A -0.8113
1047 I A 1.7000
1048 G A 0.2573
1049 V A 1.4987
1050 R A -0.6204
1051 L A -0.2650
1052 E A -1.8776
1053 Q A -0.8290
1054 L A 0.2537
1055 C A 0.0000
1056 Q A -0.4934
1057 A A -0.1656
1058 G A -0.5525
1059 G A -0.6019
1060 Q A -0.1774
1061 C A 0.2992
1062 V A 0.8867
1063 D A -1.3807
1064 E A -2.4006
1065 D A -2.1700
1066 S A -0.5105
1067 S A -0.0820
1068 H A 0.0000
1069 Y A 0.6822
1070 C A 0.0000
1071 V A 1.1795
1072 C A 0.2723
1073 P A -0.5841
1074 E A -1.8778
1075 G A -0.6244
1076 R A -1.1158
1077 T A -0.1817
1078 G A 0.0000
1079 S A 0.0000
1080 H A -0.1649
1081 C A 0.0000
1082 E A -0.9403
1083 Q A -0.8437
1084 E A -1.9553
1085 V A -0.5111
1086 D A -1.7530
1087 P A -0.5494
1088 C A 0.2400
1089 L A 0.2132
1090 A A 0.0486
1091 Q A 0.0000
1092 P A -0.1153
1093 C A 0.0220
1094 Q A -0.2687
1095 H A -0.2346
1096 G A 0.0000
1097 G A -0.1704
1098 T A 0.0029
1099 C A 0.2819
1100 R A -1.2009
1101 G A -0.1483
1102 Y A 1.4450
1103 M A 1.0627
1104 G A -0.3216
1105 G A -0.5109
1106 Y A 0.2189
1107 M A 0.9270
1108 C A 0.0000
1109 E A -0.6381
1110 C A 0.0000
1111 L A 0.9226
1112 P A 0.2226
1113 G A 0.0000
1114 Y A 0.0235
1115 N A -0.5512
1116 G A 0.0000
1117 D A -1.3734
1118 N A -0.9100
1119 C A -0.2455
1120 E A -1.6104
1121 D A 0.0000
1122 D A 0.0000
1123 V A 0.1906
1124 D A 0.0000
1125 E A 0.0000
1126 C A 0.0000
1127 A A 0.0085
1128 S A -0.0518
1129 Q A 0.0000
1130 P A 0.0000
1131 C A 0.0000
1132 Q A -0.2664
1133 H A -0.3654
1134 G A -0.5109
1135 G A 0.0000
1136 S A 0.0000
1137 C A 0.0000
1138 I A 0.0000
1139 D A 0.0000
1140 L A 0.0000
1141 V A 0.0000
1142 A A 0.0000
1143 R A -0.6207
1144 Y A 0.0000
1145 L A 0.0000
1146 C A 0.0000
1147 S A 0.0000
1148 C A 0.0000
1149 P A -0.0440
1150 P A -0.1629
1151 G A -0.5856
1152 T A -0.1611
1153 L A 0.0000
1154 G A 0.0000
1155 V A 0.5374
1156 L A 1.3818
1157 C A 0.1171
1158 E A -1.6428
1159 I A 0.3104
1160 N A -0.8572
1161 E A -1.0308
1162 D A -2.2088
1163 D A -2.0872
1164 C A -0.1654
1165 G A -0.0812
1166 P A 0.0000
1167 G A -0.1470
1168 P A -0.2733
1169 P A 0.1545
1170 L A 1.3349
1171 D A -0.1108
1172 S A -0.1475
1173 G A -0.1583
1174 P A -0.5290
1175 R A -1.3685
1176 C A 0.1372
1177 L A 1.1369
1178 H A -0.2517
1179 N A -1.3700
1180 G A -0.5423
1181 T A -0.0742
1182 C A 0.4336
1183 V A 0.7946
1184 D A -0.0705
1185 L A 1.4192
1186 V A 1.9794
1187 G A 0.2501
1188 G A 0.2235
1189 F A 0.0000
1190 R A -1.8441
1191 C A 0.0000
1192 T A -0.0088
1193 C A 0.0648
1194 P A -0.2772
1195 P A -0.3721
1196 G A -0.4512
1197 Y A 0.2270
1198 T A 0.0352
1199 G A 0.0000
1200 L A 0.4843
1201 R A 0.0000
1202 C A 0.0000
1203 E A -0.3112
1204 A A 0.0000
1205 D A 0.1873
1206 I A 1.9162
1207 N A -0.2748
1208 E A -1.8598
1209 C A -0.3715
1210 R A -0.5320
1211 S A -0.3801
1212 G A -0.4845
1213 A A -0.0254
1214 C A 0.0127
1215 H A -0.4447
1216 A A -0.0207
1217 A A 0.0696
1218 H A 0.0000
1219 T A 0.0000
1220 R A 0.0000
1221 D A 0.0000
1222 C A 0.0000
1223 L A 0.3784
1224 Q A -0.1515
1225 D A -0.6591
1226 P A -0.4796
1227 G A -0.5623
1228 G A -0.4005
1229 G A -0.2310
1230 F A 0.0000
1231 R A -1.8035
1232 C A 0.0000
1233 L A 0.2636
1234 C A 0.1268
1235 H A 0.0000
1236 A A -0.0188
1237 G A -0.1169
1238 F A 0.3239
1239 S A -0.0419
1240 G A -0.1073
1241 P A -0.7549
1242 R A -1.8756
1243 C A 0.0000
1244 Q A -0.9191
1245 T A 0.0386
1246 V A 1.4378
1247 L A 1.2171
1248 S A 0.0542
1249 P A -0.1913
1250 C A 0.1426
1251 E A -1.0491
1252 S A 0.0000
1253 Q A -1.2045
1254 P A -0.1318
1255 C A 0.7258
1256 Q A 0.0000
1257 H A -0.2048
1258 G A 0.0000
1259 G A 0.0000
1260 Q A -0.5751
1261 C A -0.2017
1262 R A -1.8391
1263 P A -0.3841
1264 S A -0.1160
1265 P A -0.3259
1266 G A -0.5255
1267 P A -0.2334
1268 G A -0.5637
1269 G A -0.5497
1270 G A 0.0000
1271 L A 0.1639
1272 T A 0.1369
1273 F A 0.5595
1274 T A 0.2132
1275 C A 0.6625
1276 H A -0.3491
1277 C A 0.0000
1278 A A 0.0000
1279 Q A 0.0000
1280 P A 0.0000
1281 F A 0.4470
1282 W A 0.9082
1283 G A 0.0310
1284 P A -0.6248
1285 R A -1.8729
1286 C A -0.6219
1287 E A -1.7999
1288 R A 0.0000
1289 V A 0.0000
1290 A A -0.0810
1291 R A -0.6874
1292 S A -0.2635
1293 C A 0.0707
1294 R A -0.4657
1295 E A -0.2931
1296 L A 0.8066
1297 Q A 0.0431
1298 C A 0.1124
1299 P A -0.1421
1300 V A 0.4329
1301 G A -0.1188
1302 V A 1.3815
1303 P A 0.2287
1304 C A 0.0000
1305 Q A -1.1205
1306 Q A -0.3701
1307 T A -0.1042
1308 P A -0.5974
1309 R A -1.8907
1310 G A 0.0000
1311 P A 0.0000
1312 R A -0.4987
1313 C A 0.0000
1314 A A 0.0704
1315 C A 0.0646
1316 P A -0.3583
1317 P A -0.4123
1318 G A -0.5034
1319 L A 0.1097
1320 S A 0.0163
1321 G A 0.0000
1322 P A 0.0000
1323 S A 0.0000
1324 C A 0.0832
1325 R A -0.7983
1326 S A -0.2291
1327 F A 0.0000
1328 P A -0.1197
1329 G A -0.3188
1330 S A 0.0000
1331 P A -0.3022
1332 P A -0.3356
1333 G A -0.4939
1334 A A -0.1013
1335 S A -0.3864
1336 N A -0.8853
1337 A A 0.0000
1338 S A 0.0000
1339 C A 0.0000
1340 A A 0.0602
1341 A A 0.0200
1342 A A 0.0000
1343 P A -0.2179
1344 C A 0.4440
1345 L A 1.3926
1346 H A -0.7171
1347 G A -0.4257
1348 G A -0.5169
1349 S A -0.2610
1350 C A 0.0000
1351 R A -0.6889
1352 P A 0.0000
1353 A A -0.0044
1354 P A -0.0782
1355 L A 0.0000
1356 A A 0.0320
1357 P A -0.1290
1358 F A 0.0000
1359 F A 0.0000
1360 R A -1.8009
1361 C A -0.2093
1362 A A 0.0968
1363 C A 0.0269
1364 A A -0.1602
1365 Q A -1.2756
1366 G A -0.6940
1367 W A 0.0000
1368 T A -0.1016
1369 G A -0.5116
1370 P A -0.3785
1371 R A -0.2926
1372 C A 0.0000
1373 E A 0.0000
1374 A A -0.0424
1375 P A -0.2409
1376 A A 0.0206
1377 A A 0.0811
1378 A A 0.0380
1379 P A -0.2531
1380 E A -0.4241
1381 V A 0.6052
1382 S A -0.2476
1383 E A -2.0137
1384 E A -1.4686
1385 P A -0.9802
1386 R A -1.9499
1387 C A -0.2316
1388 P A -0.4776
1389 R A -1.8657
1390 A A -0.4103
1391 A A -0.0616
1392 C A 0.0000
1393 Q A -1.2027
1394 A A -0.4339
1395 K A -1.5561
1396 R A -1.0721
1397 G A -0.9456
1398 D A -2.1048
1399 Q A -1.5359
1400 R A 0.0000
1401 C A 0.0000
1402 D A -0.3768
1403 R A 0.0000
1404 E A 0.0000
1405 C A 0.0000
1406 N A -0.2820
1407 S A 0.0000
1408 P A -0.3613
1409 G A -0.5387
1410 C A 0.0000
1411 G A -0.2401
1412 W A 0.0000
1413 D A 0.0000
1414 G A -0.5768
1415 G A -0.7136
1416 D A -1.8602
1417 C A 0.0000
1418 S A -0.0483
1419 L A 0.2685
1420 S A -0.1514
1421 V A 0.0427
1422 G A -0.4809
1423 D A -0.3525
1424 P A -0.3360
1425 W A 0.0000
1426 R A -1.9625
1427 Q A -0.5326
1428 C A 0.0000
1429 E A -0.8740
1430 A A 0.1395
1431 L A 1.3224
1432 Q A -0.0791
1433 C A 0.0000
1434 W A 0.0000
1435 R A 0.0000
1436 L A 0.0000
1437 F A 0.1413
1438 N A -1.0725
1439 N A -1.3456
1440 S A -0.5618
1441 R A -0.7430
1442 C A 0.0000
1443 D A -1.0884
1444 P A -0.3881
1445 A A 0.0301
1446 C A 0.1734
1447 S A -0.1761
1448 S A -0.0713
1449 P A -0.0415
1450 A A 0.0448
1451 C A 0.0000
1452 L A 0.0000
1453 Y A 0.0000
1454 D A 0.0000
1455 N A -0.3781
1456 F A 0.0000
1457 D A 0.0000
1458 C A 0.0000
1459 H A -0.9830
1460 A A -0.2412
1461 G A -0.5485
1462 G A -0.5558
1463 R A 0.0000
1464 E A -2.1728
1465 R A -2.1964
1466 T A -0.3421
1467 C A -0.1116
1468 N A -1.1129
1469 P A -0.1288
1470 V A 1.7548
1471 Y A 0.4205
1472 E A -1.0434
1473 K A -1.7242
1474 Y A 0.1316
1475 C A 0.0000
1476 A A -0.3369
1477 D A -1.7930
1478 H A -0.6928
1479 F A 0.0000
1480 A A -0.0118
1481 D A -0.4448
1482 G A -0.7699
1483 R A -1.3586
1484 C A 0.1654
1485 D A -1.8784
1486 Q A -0.7528
1487 G A -0.2392
1488 C A 0.0000
1489 N A 0.0000
1490 T A 0.0000
1491 E A -0.5801
1492 E A -1.8649
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 0.2923
1499 D A 0.0000
1500 C A 0.0000
1501 A A 0.0055
1502 S A -0.5640
1503 E A -1.8274
1504 V A -0.2411
1505 P A -0.2378
1506 A A 0.0625
1507 L A 0.5780
1508 L A 1.2590
1509 A A -0.0481
1510 R A -1.4880
1511 G A 0.0000
1512 V A 0.0000
1513 L A 0.0000
1514 V A 0.0804
1515 L A 0.0000
1516 T A 0.0000
1517 V A 0.0000
1518 L A 1.5799
1519 L A 0.4317
1520 P A -0.1277
1521 P A -0.3874
1522 E A -1.9261
1523 E A -1.0250
1524 L A 0.2034
1525 L A 0.4233
1526 R A -1.7881
1527 S A -0.5198
1528 S A -0.0259
1529 A A -0.1197
1530 D A -0.6145
1531 F A 0.2395
1532 L A 0.1938
1533 Q A -0.4340
1534 R A -1.3108
1535 L A 0.0000
1536 S A 0.0000
1537 A A -0.1960
1538 I A 0.0000
1539 L A 0.0000
1540 R A -0.4055
1541 T A 0.0000
1542 S A 0.0000
1543 L A 0.0000
1544 R A -0.3343
1545 F A 0.1097
1546 R A 0.0000
1547 L A 1.4847
1548 D A -0.0857
1549 A A -0.1053
1550 H A -0.6351
1551 G A -0.6138
1552 Q A -0.3263
1553 A A 0.0018
1554 M A 0.0000
1555 V A 0.5741
1556 F A 1.8643
1557 P A 0.3243
1558 Y A 0.5651
1559 H A -0.3565
1560 R A -1.9645
1561 P A -0.6835
1562 S A -0.1843
1563 P A -0.2955
1564 G A -0.2269
1565 S A -0.5155
1566 E A -2.1815
1567 P A -0.9454
1568 R A -2.0875
1569 A A -0.6473
1570 R A -2.3871
1571 R A -2.6482
1572 E A -0.9786
1573 L A 1.3698
1574 A A 0.2498
1575 P A -0.6314
1576 E A -1.4947
1577 V A 1.6321
1578 I A 1.6531
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 -0.2019
1586 I A 0.0000
1587 D A 0.0000
1588 N A 0.0000
1589 R A 0.0000
1590 L A 0.0000
1591 C A 0.0000
1592 L A 0.0000
1593 Q A -0.3500
1594 S A -0.1178
1595 P A -0.3719
1596 E A -1.9218
1597 N A -1.1908
1598 D A -1.9714
1599 H A -0.7983
1600 C A 0.0000
1601 F A 0.0000
1602 P A -0.1070
1603 D A -0.2976
1604 A A 0.0000
1605 Q A -0.4006
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 0.2937
1618 E A -1.3106
1619 R A -1.8116
1620 L A 0.0000
1621 D A -1.7894
1622 F A 0.0000
1623 P A -0.1651
1624 Y A 0.3934
1625 P A -0.0807
1626 L A 0.0000
1627 R A -1.8910
1628 D A -0.5424
1629 V A 0.0000
1630 R A -1.1750
1631 G A -0.4232
1632 E A -0.5248
1633 P A -0.3432
1634 L A 0.0000
1635 E A -1.8313
1636 P A -0.4758
1637 P A -0.4227
1638 E A -0.9248
1639 P A -0.4198
1640 S A -0.2187
1641 V A 0.0000
1642 P A 0.0495
1643 L A 0.7125
1644 L A 1.6015
1645 P A 0.8320
1646 L A 1.8167
1647 L A 2.1540
1648 V A 2.0670
1649 A A 0.0000
1650 G A 0.1667
1651 A A 0.2567
1652 V A 1.3755
1653 L A 0.7229
1654 L A 0.7924
1655 L A 2.0255
1656 V A 1.8828
1657 I A 0.0000
1658 L A 0.7906
1659 V A 1.6030
1660 L A 0.7682
1661 G A 0.3859
1662 V A 1.9216
1663 M A 1.3630
1664 V A 1.2989
1665 A A 0.1181
1666 R A -2.3969
1667 R A -2.5316
1668 K A -2.4291
1669 R A -1.4243
1670 E A -2.1499
1671 H A -1.3756
1672 S A -0.4017
1673 T A 0.0103
1674 L A 0.5332
1675 W A 0.9355
1676 F A 0.9171
1677 P A -0.0979
1678 E A -1.1943
1679 G A -0.3807
1680 F A 0.0000
1681 S A -0.0241
1682 L A 0.0000
1683 H A -0.5888
1684 K A -1.7734
1685 D A 0.0000
1686 V A 1.1150
1687 A A 0.2111
1688 S A -0.2664
1689 G A -0.4441
1690 H A -0.5911
1691 K A -0.3650
1692 G A 0.0000
1693 R A -0.9986
1694 R A 0.0000
1695 E A -1.8300
1696 P A -0.3243
1697 V A 0.5005
1698 G A -0.4872
1699 Q A -1.6050
1700 D A -2.0111
1701 A A -0.0258
1702 L A 1.5254
1703 G A 0.2134
1704 M A 0.9542
1705 K A -0.2158
1706 N A -0.1277
1707 M A 1.0149
1708 A A 0.1383
1709 K A -0.5880
1710 G A -0.2664
1711 E A -0.5352
1712 S A -0.0224
1713 L A 1.3325
1714 M A 1.2666
1715 G A -0.2298
1716 E A -1.8345
1717 V A 0.0000
1718 A A 0.0450
1719 T A -0.3967
1720 D A -1.7524
1721 W A 0.1301
1722 M A 0.7717
1723 D A -1.5951
1724 T A -0.6944
1725 E A -1.7737
1726 C A -0.1505
1727 P A -0.5501
1728 E A -1.8650
1729 A A -0.6580
1730 K A -2.0556
1731 R A -1.9400
1732 L A 0.7408
1733 K A -0.3367
1734 V A 0.3361
1735 E A -0.4521
1736 E A -0.5505
1737 P A -0.2211
1738 G A -0.2403
1739 M A 0.2954
1740 G A -0.3712
1741 A A -0.1157
1742 E A -0.6587
1743 E A -1.3401
1744 A A 0.0000
1745 V A 0.0000
1746 D A -0.3189
1747 C A 0.0000
1748 R A -1.9445
1749 Q A -0.8020
1750 W A 0.0000
1751 T A -0.0465
1752 Q A -0.1972
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 -0.1246
1762 V A 0.2428
1763 A A 0.1669
1764 P A -0.2456
1765 A A 0.0000
1766 M A 1.0684
1767 A A 0.2567
1768 L A 0.0000
1769 T A -0.0720
1770 P A -0.1466
1771 P A -0.4303
1772 Q A -0.9716
1773 G A -0.6777
1774 D A -0.3494
1775 A A -0.3177
1776 D A -0.6694
1777 A A -0.4446
1778 D A -1.8680
1779 G A -0.8713
1780 M A 0.0000
1781 D A -0.5076
1782 V A 0.1115
1783 N A 0.2003
1784 V A 1.5476
1785 R A -0.7194
1786 G A -0.6966
1787 P A -0.3432
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 0.0864
1800 G A 0.0000
1801 G A 0.0000
1802 A A 0.0000
1803 L A 0.0000
1804 E A -0.5078
1805 P A 0.0000
1806 M A 0.1075
1807 P A -0.0838
1808 T A -0.0676
1809 E A -0.4073
1810 E A -1.5513
1811 D A -2.3512
1812 E A -2.1502
1813 A A -0.3759
1814 D A -0.3175
1815 D A -0.2537
1816 T A -0.0632
1817 S A 0.0000
1818 A A 0.0000
1819 S A -0.0555
1820 I A 0.0000
1821 I A 0.0000
1822 S A 0.0000
1823 D A -0.1323
1824 L A 0.0000
1825 I A 0.0000
1826 C A 0.5200
1827 Q A -0.7686
1828 G A -0.4479
1829 A A 0.0000
1830 Q A -0.7229
1831 L A 0.0000
1832 G A -0.0653
1833 A A 0.0438
1834 R A 0.0000
1835 T A -0.0638
1836 D A -0.4005
1837 R A -0.6361
1838 T A -0.1518
1839 G A -0.0814
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 -0.2004
1849 Y A 0.0000
1850 A A 0.0000
1851 R A 0.0000
1852 A A 0.0120
1853 D A 0.0000
1854 A A 0.0000
1855 A A 0.0000
1856 K A -0.6240
1857 R A -0.4457
1858 L A 0.0000
1859 L A 0.0374
1860 D A -1.6980
1861 A A 0.0000
1862 G A -0.2260
1863 A A 0.0000
1864 D A -0.3868
1865 T A 0.0000
1866 N A -0.1465
1867 A A 0.0000
1868 Q A -0.5383
1869 D A -1.8317
1870 H A 0.0000
1871 S A -0.3122
1872 G A -0.6428
1873 R A -0.9732
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 -0.0077
1882 A A 0.0000
1883 D A 0.0000
1884 A A 0.0000
1885 Q A -0.7366
1886 G A -0.3189
1887 V A 0.0000
1888 F A 0.0000
1889 Q A -1.1240
1890 I A 0.0326
1891 L A 0.0000
1892 I A -0.1479
1893 R A -1.8458
1894 N A -1.0092
1895 R A -1.9212
1896 S A -0.4406
1897 T A 0.0000
1898 D A 0.0000
1899 L A 0.0000
1900 D A -0.1924
1901 A A -0.0274
1902 R A 0.0000
1903 M A 0.2623
1904 A A -0.0397
1905 D A -0.7416
1906 G A -0.3421
1907 S A -0.0379
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 0.1833
1917 A A 0.0658
1918 V A 0.0000
1919 E A -1.8420
1920 G A -0.4588
1921 M A 0.0000
1922 V A 0.0000
1923 E A -1.9101
1924 E A -0.9470
1925 L A 0.0000
1926 I A 0.0515
1927 A A 0.0246
1928 S A -0.1420
1929 H A -0.5341
1930 A A 0.0000
1931 D A 0.0000
1932 V A 0.0000
1933 N A 0.0000
1934 A A 0.0000
1935 V A 0.0000
1936 D A 0.0000
1937 E A -0.8832
1938 L A 0.3661
1939 G A -0.2861
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 0.0000
1950 N A -0.7965
1951 N A 0.0000
1952 V A -0.0091
1953 E A -1.6538
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.7703
1957 A A 0.1894
1958 L A 0.0000
1959 L A 0.0000
1960 K A -1.9384
1961 N A -1.6244
1962 G A -0.4172
1963 A A 0.0000
1964 N A -0.3443
1965 K A 0.0000
1966 D A 0.0000
1967 M A 0.0000
1968 Q A 0.0000
1969 D A -1.8254
1970 S A -0.7168
1971 K A -1.1002
1972 E A 0.0000
1973 E A -0.2580
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 0.0000
1982 E A 0.0000
1983 G A -0.0699
1984 S A 0.0000
1985 Y A 0.1698
1986 E A -1.0735
1987 A A 0.0000
1988 A A 0.0000
1989 K A -0.9170
1990 L A 0.4462
1991 L A 0.0000
1992 L A -0.1948
1993 D A -1.8311
1994 H A -0.4781
1995 F A 1.5395
1996 A A 0.3373
1997 N A 0.0000
1998 R A -0.7906
1999 E A -0.4048
2000 I A 0.0000
2001 T A 0.0000
2002 D A 0.0000
2003 H A 0.0000
2004 L A 0.0000
2005 D A 0.0000
2006 R A 0.0000
2007 L A 0.0000
2008 P A 0.0000
2009 R A 0.0000
2010 D A 0.0000
2011 V A 0.0000
2012 A A 0.0000
2013 Q A 0.0000
2014 E A -0.2094
2015 R A 0.0000
2016 L A 0.0000
2017 H A 0.0000
2018 Q A -0.2583
2019 D A -0.5865
2020 I A 0.0000
2021 V A 0.0000
2022 R A -1.9490
2023 L A 0.0000
2024 L A 0.0000
2025 D A -1.4558
2026 Q A -1.4024
2027 P A -0.2882
2028 S A -0.1920
2029 G A 0.0000
2030 P A -0.3864
2031 R A -0.7309
2032 S A 0.0000
2033 P A 0.0000
2034 P A -0.0511
2035 G A -0.0651
2036 P A 0.0000
2037 H A -1.0708
2038 G A -0.4239
2039 L A 0.3178
2040 G A -0.3818
2041 P A 0.0000
2042 L A 0.4523
2043 L A 0.4389
2044 C A 0.1672
2045 P A -0.1388
2046 P A -0.1290
2047 G A -0.1921
2048 A A 0.0000
2049 F A 0.0000
2050 L A 0.0000
2051 P A -0.1309
2052 G A 0.0398
2053 L A 1.2312
2054 K A -1.0904
2055 A A -0.2535
2056 A A 0.0150
2057 Q A 0.0000
2058 S A -0.1023
2059 G A 0.0000
2060 S A 0.0000
2061 K A -0.7290
2062 K A -1.7398
2063 S A -0.6461
2064 R A -1.8335
2065 R A -1.3012
2066 P A 0.0000
2067 P A -0.1880
2068 G A -0.5221
2069 K A -1.7214
2070 A A -0.2746
2071 G A 0.1786
2072 L A 1.0985
2073 G A -0.2598
2074 P A -0.3069
2075 Q A -0.5972
2076 G A -0.3955
2077 P A -0.5551
2078 R A -1.5568
2079 G A -0.8571
2080 R A -0.7912
2081 G A -0.6801
2082 K A -0.9195
2083 K A -1.7962
2084 L A 0.0000
2085 T A -0.0709
2086 L A 0.0000
2087 A A 0.1924
2088 C A 0.6935
2089 P A -0.1752
2090 G A -0.3146
2091 P A -0.1515
2092 L A 0.6913
2093 A A -0.0176
2094 D A -0.8614
2095 S A 0.0000
2096 S A -0.0470
2097 V A 0.0000
2098 T A 0.1235
2099 L A 0.9663
2100 S A 0.0274
2101 P A 0.0000
2102 V A 0.0035
2103 D A -1.6566
2104 S A -0.6840
2105 L A 0.0000
2106 D A -0.5501
2107 S A -0.2905
2108 P A 0.0000
2109 R A -0.3362
2110 P A -0.2634
2111 F A 0.1217
2112 G A -0.4336
2113 G A -0.2260
2114 P A -0.2818
2115 P A -0.0882
2116 A A 0.0349
2117 S A -0.1091
2118 P A -0.3002
2119 G A -0.2270
2120 G A -0.1046
2121 F A 0.0000
2122 P A -0.0015
2123 L A 0.1103
2124 E A -0.6105
2125 G A -0.2461
2126 P A 0.1579
2127 Y A 1.3052
2128 A A 0.2745
2129 A A 0.0635
2130 A A 0.0244
2131 T A -0.0113
2132 A A 0.0401
2133 T A -0.0537
2134 A A 0.0939
2135 V A 0.3945
2136 S A 0.3271
2137 L A 1.5268
2138 A A 0.0806
2139 Q A -1.1326
2140 L A 0.0213
2141 G A -0.4145
2142 G A -0.2637
2143 P A -0.3695
2144 G A -0.6309
2145 R A -0.6951
2146 A A -0.1037
2147 G A 0.2007
2148 L A 1.5125
2149 G A 0.0910
2150 R A -0.6428
2151 Q A 0.0000
2152 P A -0.2635
2153 P A -0.1403
2154 G A -0.3486
2155 G A -0.4543
2156 C A 0.4954
2157 V A 1.5177
2158 L A 0.7791
2159 S A 0.0556
2160 L A 0.4891
2161 G A -0.3247
2162 L A 0.1324
2163 L A 0.0000
2164 N A -0.1279
2165 P A 0.0000
2166 V A 0.1736
2167 A A 0.0000
2168 V A 0.2745
2169 P A 0.0000
2170 L A 0.1406
2171 D A -1.4437
2172 W A 0.8441
2173 A A -0.0692
2174 R A -1.8328
2175 L A 0.0000
2176 P A -0.0874
2177 P A -0.2352
2178 P A -0.2825
2179 A A -0.0306
2180 P A -0.0396
2181 P A -0.1077
2182 G A -0.3461
2183 P A -0.3100
2184 S A 0.0000
2185 F A 0.6270
2186 L A 0.5552
2187 L A 0.7278
2188 P A 0.0830
2189 L A 0.3454
2190 A A 0.0343
2191 P A -0.3089
2192 G A -0.4122
2193 P A -0.3858
2194 Q A -0.0061
2195 L A 1.5452
2196 L A 0.2922
2197 N A -1.2701
2198 P A -0.3018
2199 G A -0.1771
2200 T A -0.0935
2201 P A 0.0287
2202 V A 0.7387
2203 S A 0.0000
2204 P A -0.3024
2205 Q A -0.7632
2206 E A -2.0382
2207 R A -1.3277
2208 P A -0.4953
2209 P A -0.3300
2210 P A 0.0000
2211 Y A 1.0027
2212 L A 0.3566
2213 A A 0.0900
2214 V A 0.0000
2215 P A -0.2882
2216 G A -0.2494
2217 H A -0.2461
2218 G A -0.6924
2219 E A -1.4985
2220 E A -1.9300
2221 Y A 0.1142
2222 P A -0.1527
2223 A A 0.0216
2224 A A -0.0181
2225 G A -0.4445
2226 A A -0.2160
2227 H A -1.0189
2228 S A -0.4387
2229 S A -0.3018
2230 P A -0.3610
2231 P A -0.6370
2232 K A -1.7185
2233 A A -0.6696
2234 R A -1.8044
2235 F A 0.0909
2236 L A 1.3535
2237 R A 0.0000
2238 V A 0.7903
2239 P A 0.0905
2240 S A -0.5664
2241 E A -2.0189
2242 H A -1.2320
2243 P A -0.1616
2244 Y A 1.5340
2245 L A 1.6451
2246 T A 0.2563
2247 P A 0.0000
2248 S A 0.0000
2249 P A -0.2567
2250 E A -0.6183
2251 S A 0.0000
2252 P A -0.5894
2253 E A -1.9690
2254 H A -0.8850
2255 W A 0.0000
2256 A A 0.0526
2257 S A -0.0681
2258 P A -0.2767
2259 S A -0.1666
2260 P A -0.2405
2261 P A -0.3179
2262 S A 0.0137
2263 L A 1.0878
2264 S A -0.1863
2265 D A -1.7148
2266 W A -0.1387
2267 S A -0.1656
2268 E A -0.4567
2269 S A -0.2525
2270 T A -0.0993
2271 P A -0.2958
2272 S A -0.3320
2273 P A -0.3044
2274 A A -0.0027
2275 T A -0.0570
2276 A A -0.0129
2277 T A -0.1106
2278 G A -0.2391
2279 A A -0.0082
2280 M A 0.1718
2281 A A 0.0000
2282 T A -0.0355
2283 T A 0.0000
2284 T A -0.0893
2285 G A -0.3330
2286 A A 0.0633
2287 L A 0.5767
2288 P A 0.0472
2289 A A 0.0165
2290 Q A -0.1794
2291 P A -0.0316
2292 L A 1.2909
2293 P A 0.4752
2294 L A 1.4695
2295 S A 0.0000
2296 V A 1.7664
2297 P A 0.2784
2298 S A -0.2305
2299 S A 0.1787
2300 L A 1.4837
2301 A A 0.3180
2302 Q A -0.2847
2303 A A -0.1982
2304 Q A -1.2201
2305 T A -0.5265
2306 Q A -0.9129
2307 L A 1.2969
2308 G A 0.1777
2309 P A -0.1055
2310 Q A 0.0000
2311 P A 0.0000
2312 E A -0.2546
2313 V A 0.1646
2314 T A -0.0347
2315 P A -0.3273
2316 K A -0.5214
2317 R A -0.6445
2318 Q A 0.0000
2319 V A 0.0000
2320 L A 0.7345
2321 A A 0.1964
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, -0.223 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_0 -0.223 View CSV PDB
model_8 -0.2276 View CSV PDB
model_5 -0.2282 View CSV PDB
model_4 -0.2294 View CSV PDB
model_1 -0.23 View CSV PDB
model_3 -0.2309 View CSV PDB
CABS_average -0.2351 View CSV PDB
model_6 -0.2352 View CSV PDB
model_2 -0.2402 View CSV PDB
model_9 -0.2418 View CSV PDB
model_7 -0.2445 View CSV PDB
model_11 -0.2448 View CSV PDB
model_10 -0.2451 View CSV PDB
input -0.2765 View CSV PDB