Project name: Y710C

Status: done

Started: 2026-05-10 08:19:53
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICCDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations Yes
alphaCutter usage No
Dynamic mode No
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]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:21)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:22)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:21:23)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/99b2fa6cacf6f0e/tmp/folded.pdb                (00:21:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:49:20)
Show buried residues

Minimal score value
-4.8959
Maximal score value
5.3737
Average score
-0.7624
Total score value
-1769.5834

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 0.7681
2 G A -0.1701
3 P A -0.5130
4 G A -1.1308
5 A A -1.5424
6 R A -2.8270
7 G A -2.9497
8 R A -4.1113
9 R A -4.4902
10 R A -4.8959
11 R A -4.7605
12 R A -3.9798
13 R A -3.2389
14 P A -1.3663
15 M A 0.0290
16 S A -0.2310
17 P A -0.3362
18 P A -0.5182
19 P A -0.6841
20 P A -0.6869
21 P A -0.4034
22 P A -0.3526
23 P A -0.0754
24 V A 0.8680
25 R A -0.6637
26 A A 0.5186
27 L A 1.8091
28 P A 1.6440
29 L A 3.2126
30 L A 3.8361
31 L A 3.7923
32 L A 3.6792
33 L A 2.7397
34 A A 1.1245
35 G A -0.0820
36 P A -0.4483
37 G A -0.6641
38 A A -0.2856
39 A A -0.2567
40 A A -0.3576
41 P A -0.9656
42 P A -0.7914
43 C A -0.7365
44 L A 0.3590
45 D A -0.8625
46 G A -0.6740
47 S A -0.5275
48 P A -0.8184
49 C A -0.9623
50 A A -1.2097
51 N A -1.6065
52 G A -1.2441
53 G A -1.1517
54 R A -1.6460
55 C A -0.4411
56 T A -0.8331
57 Q A -1.9051
58 L A -1.2477
59 P A -1.3657
60 S A -1.8391
61 R A -3.0962
62 E A -2.8452
63 A A 0.0000
64 A A -0.9394
65 C A 0.0000
66 L A 0.5990
67 C A -0.0585
68 P A -0.2314
69 P A -0.4656
70 G A -1.0252
71 W A -0.8218
72 V A -0.7172
73 G A -0.7589
74 E A -1.7099
75 R A -1.5177
76 C A 0.0000
77 Q A -1.4575
78 L A -1.3485
79 E A -2.3081
80 D A -1.6245
81 P A -1.3936
82 C A -0.9963
83 H A -1.5395
84 S A -1.1382
85 G A -0.8506
86 P A -0.3834
87 C A -0.7623
88 A A -0.5610
89 G A -1.0177
90 R A -1.6606
91 G A -1.0904
92 V A 0.3884
93 C A -0.2885
94 Q A -0.8458
95 S A -0.5567
96 S A -0.0697
97 V A 0.7963
98 V A 1.6088
99 A A 0.6406
100 G A -0.1462
101 T A -0.1555
102 A A 0.0000
103 R A -1.3794
104 F A -0.7483
105 S A -0.8399
106 C A -0.9333
107 R A -1.7464
108 C A -1.1090
109 P A -1.2580
110 R A -1.7444
111 G A 0.0000
112 F A -0.3207
113 R A -0.7819
114 G A -0.6279
115 P A -0.7886
116 D A -0.8262
117 C A 0.0000
118 S A -0.3108
119 L A 0.3918
120 P A 0.0625
121 D A -0.1699
122 P A 0.1379
123 C A 0.4179
124 L A 0.7584
125 S A 0.2778
126 S A -0.1175
127 P A -0.3058
128 C A -1.0432
129 A A -1.4808
130 H A -1.6751
131 G A -1.2464
132 A A -1.4478
133 R A -1.7186
134 C A -0.0723
135 S A 0.0283
136 V A 0.1705
137 G A -0.5975
138 P A -1.2039
139 D A -2.2445
140 G A -1.5177
141 R A -1.8648
142 F A -0.2895
143 L A 0.4202
144 C A -0.3207
145 S A -0.6967
146 C A -1.1802
147 P A -0.7755
148 P A -0.5112
149 G A -0.9384
150 Y A -1.7533
151 Q A -2.3975
152 G A -2.4729
153 R A -2.3137
154 S A -1.8172
155 C A 0.0000
156 R A -2.9513
157 S A -2.3313
158 D A -2.0656
159 V A -1.2805
160 D A -1.1841
161 E A -1.7366
162 C A -1.5586
163 R A -1.7873
164 V A 0.0006
165 G A -1.1553
166 E A -2.3759
167 P A -1.5827
168 C A 0.0000
169 R A -2.6672
170 H A -2.1011
171 G A -1.6217
172 G A -1.6984
173 T A -1.2170
174 C A -1.3894
175 L A -0.7076
176 N A -1.2741
177 T A -0.8764
178 P A -1.0402
179 G A -1.1862
180 S A -0.9412
181 F A -1.0397
182 R A -1.9027
183 C A -1.5654
184 Q A -1.3505
185 C A -1.2735
186 P A -0.6043
187 A A 0.1372
188 G A 0.1271
189 Y A -0.6418
190 T A -0.8188
191 G A -1.0276
192 P A -1.1391
193 L A -1.4439
194 C A 0.0000
195 E A -2.1813
196 N A -1.8157
197 P A -0.6690
198 A A 0.2626
199 V A 0.9758
200 P A -0.0088
201 C A -0.2508
202 A A 0.2099
203 P A -0.0063
204 S A -0.7213
205 P A -1.1247
206 C A -2.0978
207 R A -2.7501
208 N A -1.5780
209 G A -0.9570
210 G A -1.4417
211 T A -1.1330
212 C A -1.8277
213 R A -2.9068
214 Q A -2.3584
215 S A -1.7303
216 G A -1.2256
217 D A -1.1146
218 L A 0.7412
219 T A -0.4659
220 Y A -1.5358
221 D A -2.7823
222 C A 0.0000
223 A A -0.9376
224 C A -0.8128
225 L A 0.1160
226 P A -0.1375
227 G A -0.6293
228 F A -1.3634
229 E A -2.4884
230 G A -2.0757
231 Q A -2.4456
232 N A -2.4084
233 C A 0.0000
234 E A -2.6339
235 V A -1.3645
236 N A -1.5279
237 V A -1.3385
238 D A -2.1481
239 D A -2.0682
240 C A -1.7013
241 P A -1.4203
242 G A -1.3959
243 H A -1.6828
244 R A -2.1039
245 C A 0.0000
246 L A 0.0893
247 N A -0.8729
248 G A -0.6021
249 G A -0.8206
250 T A -0.6473
251 C A -0.8616
252 V A -0.4161
253 D A -1.0645
254 G A -0.4352
255 V A 0.5243
256 N A -0.9672
257 T A -0.8078
258 Y A -1.3804
259 N A -1.8504
260 C A -1.3147
261 Q A -1.3978
262 C A -1.0805
263 P A -0.6316
264 P A -0.7290
265 E A -1.2149
266 W A -1.1217
267 T A -1.4564
268 G A -1.5376
269 Q A -1.8640
270 F A -1.3208
271 C A 0.0000
272 T A -1.0489
273 E A -2.0586
274 D A -1.4053
275 V A -0.8996
276 D A -0.8636
277 E A -1.0237
278 C A -0.7449
279 Q A -1.0600
280 L A -0.0063
281 Q A -1.4641
282 P A -1.5121
283 N A -2.1689
284 A A -1.4619
285 C A 0.0000
286 H A -2.1633
287 N A -1.7721
288 G A -1.0441
289 G A -0.2711
290 T A 0.6420
291 C A 0.4596
292 F A 1.6373
293 N A 0.0022
294 T A 0.4129
295 L A 0.7071
296 G A -0.4483
297 G A -0.2091
298 H A -0.1527
299 S A 0.1460
300 C A 0.6292
301 V A 1.8632
302 C A 0.2580
303 V A 0.2475
304 N A -0.5001
305 G A 0.0000
306 W A -0.6666
307 T A -0.8930
308 G A -1.2876
309 E A -2.0304
310 S A -1.5464
311 C A 0.0000
312 S A -1.6415
313 Q A -1.8599
314 N A -1.4434
315 I A -0.9698
316 D A -2.0558
317 D A -1.1608
318 C A -0.5789
319 A A -0.3529
320 T A 0.1576
321 A A 0.7507
322 V A 1.9150
323 C A 1.6279
324 F A 0.9857
325 H A -0.8005
326 G A -0.4895
327 A A 0.2448
328 T A 0.1323
329 C A 0.1227
330 H A -1.0233
331 D A -2.0063
332 R A -1.4105
333 V A -0.5463
334 A A -0.4327
335 S A -0.4256
336 F A -0.1351
337 Y A 1.0345
338 C A 0.0000
339 A A 0.6400
340 C A 0.5892
341 P A 0.2019
342 M A 0.8272
343 G A -0.1195
344 K A -0.8301
345 T A -0.3506
346 G A 0.5026
347 L A 2.2558
348 L A 1.7297
349 C A 0.0000
350 H A -0.0118
351 L A -0.9992
352 D A -2.3306
353 D A -1.4402
354 A A -1.3180
355 C A -0.6107
356 V A 0.1563
357 S A -0.3483
358 N A -1.1845
359 P A -1.1472
360 C A -1.3668
361 H A -2.2739
362 E A -2.9102
363 D A -2.2213
364 A A -0.8923
365 I A 0.9539
366 C A -0.2419
367 D A -1.1396
368 T A 0.0000
369 N A 0.0000
370 P A -0.0865
371 V A 0.7999
372 N A -1.2467
373 G A -1.8303
374 R A -2.3378
375 A A -1.1437
376 I A 0.0357
377 C A -0.2076
378 T A 0.3433
379 C A -0.3001
380 P A 0.0000
381 P A -0.4382
382 G A -0.6940
383 F A -1.4316
384 T A -1.1873
385 G A -1.3756
386 G A -0.9627
387 A A -1.3128
388 C A 0.0000
389 D A -2.9491
390 Q A -2.5620
391 D A -1.9123
392 V A -0.7721
393 D A -0.7346
394 E A -0.1157
395 C A -0.1012
396 S A 0.2256
397 I A 1.3605
398 G A 0.0894
399 A A -0.4888
400 N A -1.4417
401 P A -0.9474
402 C A 0.0000
403 E A -2.4636
404 H A -1.5870
405 L A 0.0106
406 G A 0.0000
407 R A -2.1024
408 C A 0.0000
409 V A 0.1396
410 N A -0.3826
411 T A -0.4288
412 Q A -1.6765
413 G A -1.4391
414 S A -0.2689
415 F A 0.3844
416 L A 0.6466
417 C A -1.0029
418 Q A -1.5264
419 C A -1.7098
420 G A -1.3326
421 R A -1.9469
422 G A -1.1621
423 Y A -1.3848
424 T A -1.6442
425 G A -1.5325
426 P A -1.1656
427 R A -2.3898
428 C A 0.0000
429 E A -3.0031
430 T A -1.9500
431 D A -1.7780
432 V A -0.8557
433 N A -0.7672
434 E A -0.8020
435 C A -0.1090
436 L A 0.9351
437 S A 0.0824
438 G A -0.5775
439 P A -0.4096
440 C A -0.7097
441 R A -2.4125
442 N A -2.0017
443 Q A -1.8561
444 A A -0.5085
445 T A 0.1927
446 C A 0.3288
447 L A 0.2158
448 D A -0.8872
449 R A -1.1874
450 I A 0.1185
451 G A 0.0000
452 Q A -1.4360
453 F A -0.4255
454 T A 0.2039
455 C A 0.7663
456 I A 1.8942
457 C A 0.7629
458 M A 0.2647
459 A A 0.3669
460 G A -0.6731
461 F A -0.2810
462 T A 0.0927
463 G A -0.0525
464 T A 0.2126
465 Y A 0.1654
466 C A 0.0000
467 E A -1.1854
468 V A -0.3191
469 D A -1.8622
470 I A -1.4836
471 D A -3.1472
472 E A -3.0311
473 C A -2.1860
474 Q A -2.2604
475 S A -1.3600
476 S A -0.5259
477 P A -0.1729
478 C A 0.3156
479 V A 0.5487
480 N A -0.7462
481 G A -0.2598
482 G A 0.3905
483 V A 1.2853
484 C A -0.4561
485 K A -2.0775
486 D A -3.5357
487 R A -2.8685
488 V A -0.6636
489 N A -1.5120
490 G A -1.4832
491 F A -1.5783
492 S A -0.7569
493 C A 0.2398
494 T A 0.4062
495 C A 0.3557
496 P A -0.3005
497 S A -0.8993
498 G A -1.6469
499 F A -0.9882
500 S A -0.5965
501 G A -0.5262
502 S A -0.2409
503 T A 0.0441
504 C A 0.0000
505 Q A -0.9891
506 L A -0.3468
507 D A -2.4314
508 V A -1.6929
509 D A -2.6598
510 E A -2.2358
511 C A -1.4900
512 A A -0.8329
513 S A -0.5639
514 T A -0.7808
515 P A -0.6762
516 C A 0.0000
517 R A -3.0880
518 N A -3.0394
519 G A -2.2772
520 A A -2.8365
521 K A -2.9652
522 C A -2.2230
523 V A -1.9728
524 D A -3.2993
525 Q A -2.9471
526 P A -2.5342
527 D A -2.8391
528 G A -2.0888
529 Y A -2.0017
530 E A -2.4341
531 C A -2.3751
532 R A -3.0627
533 C A -2.8948
534 A A -1.8941
535 E A -1.9034
536 G A -1.1285
537 F A -2.4403
538 E A -3.3058
539 G A -2.1714
540 T A -1.4916
541 L A -1.8121
542 C A 0.0000
543 D A -3.6705
544 R A -3.7698
545 N A -2.4887
546 V A -1.7602
547 D A -2.5464
548 D A -1.7696
549 C A -2.0212
550 S A -1.7734
551 P A -1.6051
552 D A -2.7909
553 P A -1.8416
554 C A 0.0000
555 H A -2.3957
556 H A -1.9030
557 G A -1.7648
558 R A -2.3002
559 C A -1.4479
560 V A -0.6090
561 D A -1.7396
562 G A -0.0817
563 I A 1.0284
564 A A -0.0970
565 S A -0.0858
566 F A -0.3040
567 S A -0.4078
568 C A -0.9732
569 A A -0.5142
570 C A -0.8533
571 A A -0.8124
572 P A -0.4552
573 G A -0.8241
574 Y A -0.9542
575 T A -0.8824
576 G A -1.1195
577 T A -0.8352
578 R A -1.9584
579 C A 0.0000
580 E A -2.2858
581 S A -1.6455
582 Q A -1.4662
583 V A -1.4241
584 D A -2.3983
585 E A -2.2504
586 C A -2.2963
587 R A -2.9318
588 S A -1.9264
589 Q A -2.6685
590 P A -1.4764
591 C A -1.8037
592 R A -2.8061
593 H A -1.7816
594 G A -2.0414
595 G A -2.2494
596 K A -2.8025
597 C A 0.0000
598 L A -0.8191
599 D A -1.7357
600 L A -0.0705
601 V A 0.1213
602 D A -2.0235
603 K A -1.7796
604 Y A -0.4271
605 L A 0.3603
606 C A -1.0150
607 R A -2.0582
608 C A -1.2111
609 P A -1.2068
610 S A -0.4932
611 G A -0.7049
612 T A 0.0000
613 T A 0.1154
614 G A 0.2939
615 V A 1.3956
616 N A -0.4521
617 C A 0.0000
618 E A -0.4914
619 V A 0.6186
620 N A -0.5444
621 I A -0.1453
622 D A -2.1111
623 D A -2.6406
624 C A -1.8389
625 A A -1.0099
626 S A -1.1644
627 N A -1.2154
628 P A -0.3093
629 C A 0.2013
630 T A 0.6856
631 F A 1.5284
632 G A 0.8989
633 V A 1.3559
634 C A -0.4140
635 R A -2.4396
636 D A -2.4506
637 G A -2.0288
638 I A -0.8915
639 N A -2.1501
640 R A -2.9770
641 Y A -2.5005
642 D A -1.8805
643 C A -0.0775
644 V A 0.7126
645 C A 0.4372
646 Q A -0.6900
647 P A -1.3635
648 G A 0.0000
649 F A -0.4980
650 T A 0.1992
651 G A 0.3266
652 P A -0.0834
653 L A 0.7967
654 C A 0.0000
655 N A -0.1866
656 V A 0.7261
657 E A -1.3872
658 I A -1.0480
659 N A -1.7639
660 E A -1.6255
661 C A -0.7446
662 A A -0.5999
663 S A -0.5043
664 S A -0.3331
665 P A -0.2224
666 C A -0.0476
667 G A -0.6787
668 E A -2.1590
669 G A -1.3017
670 G A -0.5111
671 S A -0.4471
672 C A -0.1201
673 V A -0.3558
674 D A -2.2787
675 G A -2.2868
676 E A -3.2168
677 N A -2.7772
678 G A -1.6267
679 F A -0.8170
680 R A -0.9438
681 C A 0.1859
682 L A 0.9424
683 C A 0.2499
684 P A -0.3515
685 P A -0.3202
686 G A -0.5148
687 S A -0.1947
688 L A 0.6189
689 P A 0.6144
690 P A 0.4657
691 L A 1.4466
692 C A 0.6485
693 L A 0.3411
694 P A -0.3596
695 P A -0.5879
696 S A -0.6531
697 H A -0.8301
698 P A -0.8936
699 C A -1.0064
700 A A -1.0258
701 H A -1.8766
702 E A -1.7936
703 P A 0.0000
704 C A -0.6865
705 S A -0.9390
706 H A -0.4454
707 G A 0.2529
708 I A 1.6301
709 C A 0.2327
710 C A -0.2579
711 D A -1.6895
712 A A -1.1999
713 P A -0.9311
714 G A -0.8952
715 G A -0.7522
716 F A -0.9811
717 R A -1.3459
718 C A -0.1420
719 V A 1.2585
720 C A -0.1257
721 E A -1.0739
722 P A -0.7798
723 G A -0.5926
724 W A -0.5665
725 S A -0.7277
726 G A -1.0155
727 P A -1.3701
728 R A -2.1904
729 C A 0.0000
730 S A -1.5066
731 Q A -1.3471
732 S A -0.3055
733 L A 0.7366
734 A A -0.7803
735 R A -2.2383
736 D A -2.5686
737 A A -1.6357
738 C A -1.9488
739 E A -2.8215
740 S A -1.7739
741 Q A -2.0797
742 P A -1.5901
743 C A -1.9109
744 R A -2.5297
745 A A -0.9808
746 G A -1.1361
747 G A -1.4595
748 T A -0.6927
749 C A -1.0739
750 S A -0.8745
751 S A -1.2320
752 D A -1.7540
753 G A -0.8981
754 M A 0.3855
755 G A -0.1859
756 F A -0.3826
757 H A -1.3480
758 C A -1.3345
759 T A -0.9031
760 C A -0.8654
761 P A -0.2974
762 P A -0.1574
763 G A 0.2999
764 V A 0.3125
765 Q A -0.4110
766 G A -1.2350
767 R A -2.5193
768 Q A -2.1618
769 C A 0.0000
770 E A -0.9448
771 L A 0.7281
772 L A 1.6895
773 S A 0.4138
774 P A 0.0662
775 C A -0.5289
776 T A -0.3544
777 P A -0.7359
778 N A -2.3020
779 P A -1.3187
780 C A 0.0000
781 E A -3.2079
782 H A -2.4532
783 G A -1.9730
784 G A 0.0000
785 R A -2.6914
786 C A -1.8578
787 E A -1.8114
788 S A -0.7387
789 A A -0.5590
790 P A -0.9083
791 G A -0.8518
792 Q A -0.7486
793 L A 0.9715
794 P A 0.1440
795 V A 0.8713
796 C A -0.7714
797 S A -1.0331
798 C A -1.4168
799 P A -1.5930
800 Q A -1.7398
801 G A 0.0000
802 W A -1.8359
803 Q A -1.9995
804 G A -1.5092
805 P A -0.8182
806 R A -1.8262
807 C A 0.0000
808 Q A -2.5032
809 Q A -2.4462
810 D A -1.6442
811 V A -1.2427
812 D A -1.5388
813 E A -1.2621
814 C A -0.2988
815 A A -0.6253
816 G A -0.7213
817 P A -0.4548
818 A A -0.0348
819 P A 0.0000
820 C A 0.0000
821 G A -0.4990
822 P A -0.5824
823 H A -1.0488
824 G A 0.0423
825 I A 1.6825
826 C A 0.8765
827 T A 0.2934
828 N A -0.2435
829 L A 0.2455
830 A A -0.2097
831 G A -0.8288
832 S A -0.5538
833 F A -0.1680
834 S A 0.1681
835 C A 0.3794
836 T A 0.3910
837 C A -0.4171
838 H A -1.0554
839 G A -0.7860
840 G A -0.4911
841 Y A -0.9375
842 T A -1.0243
843 G A -0.9443
844 P A -0.8974
845 S A -0.8814
846 C A 0.0000
847 D A -2.3621
848 Q A -1.6784
849 D A -1.4221
850 I A -0.7480
851 N A -2.1216
852 D A -1.9823
853 C A -2.1312
854 D A -2.5786
855 P A -1.8882
856 N A -1.6850
857 P A -0.9008
858 C A 0.0000
859 L A -0.3630
860 N A -0.3469
861 G A -0.2204
862 G A 0.0000
863 S A -0.6154
864 C A -1.4891
865 Q A -1.9862
866 D A -2.0570
867 G A -0.5150
868 V A 0.8205
869 G A -0.3402
870 S A -0.3734
871 F A -0.7921
872 S A -1.0067
873 C A -0.7610
874 S A -0.4237
875 C A -0.0269
876 L A 0.7349
877 P A 0.2226
878 G A -0.4262
879 F A -0.4409
880 A A -0.8351
881 G A -1.2041
882 P A -1.1073
883 R A -1.5878
884 C A 0.0000
885 A A -1.2635
886 R A -2.2052
887 D A -1.7044
888 V A -0.6994
889 D A -1.0422
890 E A -1.0866
891 C A -0.5722
892 L A 0.5142
893 S A -0.4102
894 N A -1.2406
895 P A -1.0161
896 C A 0.0000
897 G A -1.5214
898 P A -1.0123
899 G A -0.7876
900 T A -0.5650
901 C A -0.5752
902 T A -0.9030
903 D A -1.2900
904 H A -0.7413
905 V A -0.4661
906 A A -0.2451
907 S A -0.4193
908 F A -0.5130
909 T A 0.0000
910 C A 0.0000
911 T A 0.0659
912 C A -0.3530
913 P A -0.1692
914 P A -0.4302
915 G A -0.6786
916 Y A -0.9988
917 G A 0.0000
918 G A -0.8716
919 F A -0.1971
920 H A -1.4154
921 C A 0.0000
922 E A -2.8718
923 Q A -2.4664
924 D A -2.4113
925 L A -0.8008
926 P A -0.6627
927 D A -0.6756
928 C A -0.2157
929 S A 0.0000
930 P A -0.1587
931 S A 0.0246
932 S A 0.0000
933 C A 0.0000
934 F A -0.3157
935 N A -0.9447
936 G A -0.1015
937 G A 0.1578
938 T A 0.4514
939 C A 0.7202
940 V A 0.7681
941 D A -0.7134
942 G A -0.4170
943 V A -0.1087
944 N A -1.1050
945 S A -0.4102
946 F A 0.2327
947 S A 0.4706
948 C A 0.9506
949 L A 1.7194
950 C A 0.2228
951 R A -0.6006
952 P A -0.6269
953 G A -1.3110
954 Y A -1.1448
955 T A -0.8055
956 G A -0.3397
957 A A 0.1218
958 H A 0.0519
959 C A 0.0000
960 Q A -0.9911
961 H A -1.4392
962 E A -2.5190
963 A A -1.3436
964 D A -1.2147
965 P A -0.9055
966 C A -0.1689
967 L A 0.6158
968 S A -0.4982
969 R A -1.1945
970 P A -0.7341
971 C A 0.0000
972 L A -0.0532
973 H A -0.2573
974 G A -0.2282
975 G A 0.0074
976 V A 0.8517
977 C A 0.0525
978 S A -0.7529
979 A A -0.4452
980 A A -0.9685
981 H A -1.3061
982 P A -1.0129
983 G A -0.8682
984 F A -0.8104
985 R A -1.5905
986 C A -0.5033
987 T A -0.0226
988 C A 0.2303
989 L A 0.8289
990 E A -0.9890
991 S A -0.5821
992 F A -0.0978
993 T A -0.3145
994 G A -0.5599
995 P A -0.9172
996 Q A -1.0936
997 C A 0.0000
998 Q A -0.7995
999 T A -0.2723
1000 L A 0.1787
1001 V A -0.3699
1002 D A -1.9042
1003 W A -1.3385
1004 C A -1.5889
1005 S A -1.9066
1006 R A -2.7142
1007 Q A -2.7209
1008 P A -1.7204
1009 C A -1.7775
1010 Q A -2.4640
1011 N A -2.1548
1012 G A -1.6729
1013 G A -1.5248
1014 R A -1.6624
1015 C A -0.9969
1016 V A -0.0161
1017 Q A -0.5791
1018 T A -0.4010
1019 G A -0.3185
1020 A A -0.2900
1021 Y A 0.2159
1022 C A 0.0000
1023 L A 0.6803
1024 C A -0.4992
1025 P A -0.6579
1026 P A -0.3816
1027 G A -0.7417
1028 W A -1.1139
1029 S A -0.8462
1030 G A -0.9223
1031 R A -1.1952
1032 L A -1.1431
1033 C A 0.0000
1034 D A -1.8679
1035 I A 0.0000
1036 R A -1.9875
1037 S A -1.5298
1038 L A -1.7167
1039 P A -2.0822
1040 C A 0.0000
1041 R A -3.0073
1042 E A -2.4896
1043 A A 0.0000
1044 A A 0.0000
1045 A A -1.1776
1046 Q A -0.8892
1047 I A 0.9251
1048 G A -0.1645
1049 V A -0.7148
1050 R A -2.1745
1051 L A -1.9221
1052 E A -3.1367
1053 Q A -2.8978
1054 L A 0.0000
1055 C A 0.0000
1056 Q A -2.4871
1057 A A -1.7975
1058 G A -1.5070
1059 G A 0.0000
1060 Q A -1.2485
1061 C A 0.0000
1062 V A -0.3909
1063 D A -2.4350
1064 E A -3.0076
1065 D A -2.9878
1066 S A -1.9457
1067 S A -1.8014
1068 H A 0.0000
1069 Y A 0.2078
1070 C A 0.4543
1071 V A 1.0450
1072 C A -0.5719
1073 P A -1.0938
1074 E A -1.9827
1075 G A -1.6039
1076 R A -1.8816
1077 T A -1.2396
1078 G A -1.0641
1079 S A 0.0000
1080 H A -1.0893
1081 C A 0.0000
1082 E A -1.8604
1083 Q A -2.1520
1084 E A -2.5025
1085 V A -1.0371
1086 D A -0.9749
1087 P A -0.4115
1088 C A 0.0000
1089 L A 0.9087
1090 A A 0.3923
1091 Q A -0.7102
1092 P A -0.8487
1093 C A -1.9192
1094 Q A -2.6754
1095 H A -1.9071
1096 G A -1.2044
1097 G A -1.5638
1098 T A -1.2067
1099 C A -0.9029
1100 R A -1.4964
1101 G A -0.0098
1102 Y A 1.0262
1103 M A 0.9517
1104 G A -0.3059
1105 G A 0.3250
1106 Y A -0.1339
1107 M A -0.3169
1108 C A -1.6764
1109 E A -2.2077
1110 C A -1.6384
1111 L A 0.0902
1112 P A -0.2459
1113 G A -0.9847
1114 Y A -2.3244
1115 N A -3.3928
1116 G A -3.4035
1117 D A -3.0524
1118 N A -2.8719
1119 C A 0.0000
1120 E A -3.9773
1121 D A -4.4709
1122 D A -3.5429
1123 V A -2.3552
1124 D A -3.0231
1125 E A -2.4512
1126 C A 0.0000
1127 A A -1.3788
1128 S A -1.1864
1129 Q A -1.7895
1130 P A -0.9632
1131 C A -0.9765
1132 Q A -1.5826
1133 H A -0.9129
1134 G A -1.0906
1135 G A -0.8600
1136 S A -0.8075
1137 C A -0.8443
1138 I A 0.0000
1139 D A -2.3487
1140 L A -0.9565
1141 V A 0.3006
1142 A A -0.6454
1143 R A -1.7992
1144 Y A -1.2180
1145 L A -0.2774
1146 C A 0.0000
1147 S A 0.0000
1148 C A 0.0000
1149 P A -0.4177
1150 P A -0.2562
1151 G A -0.7300
1152 T A 0.0000
1153 L A 0.2640
1154 G A 0.4740
1155 V A 0.7835
1156 L A 0.0000
1157 C A 0.0000
1158 E A -0.4457
1159 I A 0.0964
1160 N A -1.2207
1161 E A -2.1902
1162 D A -2.7090
1163 D A -1.9952
1164 C A -1.4272
1165 G A -1.2452
1166 P A -1.0901
1167 G A -1.1258
1168 P A -0.5470
1169 P A -0.4145
1170 L A 0.2973
1171 D A -1.6328
1172 S A -1.1358
1173 G A -1.1749
1174 P A -1.2592
1175 R A -1.1358
1176 C A 0.0000
1177 L A -0.5917
1178 H A -1.3407
1179 N A -1.6260
1180 G A -0.9662
1181 T A -0.7357
1182 C A -0.6340
1183 V A -0.8043
1184 D A -1.9473
1185 L A -0.6079
1186 V A 0.2120
1187 G A -0.6544
1188 G A -0.8341
1189 F A -0.9881
1190 R A -1.6481
1191 C A -0.8202
1192 T A -0.3585
1193 C A -0.4564
1194 P A -0.5597
1195 P A -0.3507
1196 G A -0.5736
1197 Y A -0.3161
1198 T A 0.1287
1199 G A 0.1437
1200 L A 0.2704
1201 R A -0.4337
1202 C A 0.0000
1203 E A -0.0074
1204 A A 0.0000
1205 D A -0.5580
1206 I A -0.1596
1207 N A -1.1285
1208 E A -1.6069
1209 C A -1.6318
1210 R A -2.2140
1211 S A -1.4889
1212 G A -1.4236
1213 A A 0.0000
1214 C A -1.6444
1215 H A -1.4026
1216 A A -0.6890
1217 A A -0.5341
1218 H A -0.6690
1219 T A -0.9938
1220 R A -0.6067
1221 D A 0.0000
1222 C A -1.0821
1223 L A -1.0161
1224 Q A -1.7857
1225 D A -2.5250
1226 P A -1.3527
1227 G A -1.2556
1228 G A -0.9282
1229 G A -1.3971
1230 F A -1.6404
1231 R A -2.2912
1232 C A 0.0000
1233 L A -0.4762
1234 C A -0.7945
1235 H A -0.3933
1236 A A 0.1929
1237 G A 0.5795
1238 F A 0.5469
1239 S A -0.0524
1240 G A -0.8480
1241 P A -1.5808
1242 R A -2.3076
1243 C A 0.0000
1244 Q A -1.3579
1245 T A 0.0897
1246 V A 1.8085
1247 L A 1.0795
1248 S A -0.1525
1249 P A -0.4671
1250 C A -1.6396
1251 E A -2.1747
1252 S A -1.5764
1253 Q A -2.5455
1254 P A -1.6879
1255 C A -2.1210
1256 Q A -2.2539
1257 H A -1.4628
1258 G A -1.5636
1259 G A -2.0747
1260 Q A -2.4313
1261 C A -2.3571
1262 R A -2.2681
1263 P A -0.9498
1264 S A -0.4955
1265 P A -0.3628
1266 G A -0.4682
1267 P A -0.6794
1268 G A -0.8861
1269 G A -0.8697
1270 G A -0.5054
1271 L A 0.3556
1272 T A -0.1461
1273 F A -0.6281
1274 T A -1.0907
1275 C A -1.8031
1276 H A -1.8378
1277 C A -1.3990
1278 A A -0.8220
1279 Q A -0.5756
1280 P A -0.7344
1281 F A 0.0000
1282 W A -0.9428
1283 G A -1.0182
1284 P A -1.1487
1285 R A -2.1832
1286 C A 0.0000
1287 E A -1.4736
1288 R A -1.5245
1289 V A -0.7008
1290 A A 0.0000
1291 R A -2.3320
1292 S A -1.8766
1293 C A -1.7614
1294 R A -1.7312
1295 E A 0.0000
1296 L A 0.0000
1297 Q A -1.1759
1298 C A -0.4907
1299 P A 0.4524
1300 V A 1.3999
1301 G A 0.4643
1302 V A 0.1338
1303 P A -0.7311
1304 C A -1.4749
1305 Q A -2.1700
1306 Q A -2.8252
1307 T A -1.8133
1308 P A -1.5693
1309 R A -2.2103
1310 G A -1.9758
1311 P A 0.0000
1312 R A -2.1270
1313 C A 0.0000
1314 A A -0.6109
1315 C A -0.5127
1316 P A -0.4260
1317 P A -0.4209
1318 G A -0.6514
1319 L A -0.5450
1320 S A -0.8427
1321 G A -0.8432
1322 P A -0.9190
1323 S A -0.9691
1324 C A 0.0000
1325 R A -1.7616
1326 S A -0.8559
1327 F A -0.0383
1328 P A -0.4067
1329 G A -0.5533
1330 S A -0.4894
1331 P A -0.6418
1332 P A -0.8955
1333 G A -0.9717
1334 A A -0.8692
1335 S A -0.8905
1336 N A -1.5275
1337 A A -0.9056
1338 S A -0.7917
1339 C A -0.6591
1340 A A -0.2017
1341 A A -0.2606
1342 A A 0.0632
1343 P A 0.0000
1344 C A -0.4453
1345 L A -0.1418
1346 H A -0.8886
1347 G A -0.7098
1348 G A -0.7623
1349 S A -0.7678
1350 C A -1.0727
1351 R A -2.2000
1352 P A -1.0999
1353 A A -0.5924
1354 P A -0.0576
1355 L A 0.7119
1356 A A -0.0881
1357 P A -0.2574
1358 F A -0.2002
1359 F A 0.0000
1360 R A -1.6209
1361 C A -0.9841
1362 A A -0.6968
1363 C A -0.4391
1364 A A -0.6677
1365 Q A -1.2916
1366 G A -0.7145
1367 W A -0.4359
1368 T A -0.3741
1369 G A -0.4639
1370 P A -0.6367
1371 R A -0.6155
1372 C A 0.0000
1373 E A -0.8218
1374 A A -0.5376
1375 P A -0.4769
1376 A A -0.3108
1377 A A -0.3693
1378 A A -0.4204
1379 P A -0.5408
1380 E A -1.4282
1381 V A -0.2377
1382 S A -1.5054
1383 E A -3.1104
1384 E A -3.2013
1385 P A -2.6829
1386 R A -3.3320
1387 C A -2.3696
1388 P A -1.9681
1389 R A -2.5541
1390 A A -1.3118
1391 A A -1.4609
1392 C A 0.0000
1393 Q A -2.6057
1394 A A -1.9630
1395 K A -3.0755
1396 R A -3.7672
1397 G A -3.0186
1398 D A -3.6827
1399 Q A -3.2479
1400 R A -3.4790
1401 C A -2.4456
1402 D A -3.0252
1403 R A -3.3083
1404 E A -2.8583
1405 C A 0.0000
1406 N A -1.5725
1407 S A -1.4195
1408 P A -1.1915
1409 G A -1.8777
1410 C A -1.8602
1411 G A -0.8054
1412 W A 0.0000
1413 D A 0.0000
1414 G A -2.1115
1415 G A 0.0000
1416 D A -2.1961
1417 C A 0.0000
1418 S A 0.0000
1419 L A 0.0000
1420 S A -0.8777
1421 V A 0.0000
1422 G A -0.8905
1423 D A -1.5569
1424 P A 0.0000
1425 W A 0.0000
1426 R A -2.8622
1427 Q A -2.4755
1428 C A -1.6159
1429 E A -1.9904
1430 A A -0.3190
1431 L A 0.6583
1432 Q A -0.3734
1433 C A 0.0000
1434 W A -0.6455
1435 R A -1.6718
1436 L A -1.1114
1437 F A 0.0000
1438 N A -1.8876
1439 N A -1.4305
1440 S A -1.3111
1441 R A -1.9619
1442 C A -0.6501
1443 D A -0.6433
1444 P A -0.4762
1445 A A -0.0972
1446 C A 0.0000
1447 S A -0.3765
1448 S A -0.6563
1449 P A -0.6202
1450 A A -1.0171
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 -0.3890
1459 H A -0.5405
1460 A A -0.2227
1461 G A -1.1004
1462 G A -1.6890
1463 R A -2.4506
1464 E A -3.1461
1465 R A -3.3429
1466 T A -2.2161
1467 C A 0.0000
1468 N A -1.2509
1469 P A -0.1296
1470 V A 1.3733
1471 Y A 0.6188
1472 E A -1.0300
1473 K A -1.8167
1474 Y A -0.6197
1475 C A 0.0000
1476 A A 0.0000
1477 D A -2.5352
1478 H A -2.3402
1479 F A 0.0000
1480 A A -1.7770
1481 D A -2.9277
1482 G A -2.2475
1483 R A -2.6914
1484 C A -1.4656
1485 D A -1.6400
1486 Q A -1.7687
1487 G A -1.0787
1488 C A 0.0000
1489 N A -0.9596
1490 T A -0.9195
1491 E A -0.7720
1492 E A -1.5706
1493 C A 0.0000
1494 G A 0.0000
1495 W A -0.4082
1496 D A 0.0000
1497 G A 0.0000
1498 L A 0.0000
1499 D A -1.5779
1500 C A -0.8623
1501 A A 0.0000
1502 S A -1.2336
1503 E A -1.8077
1504 V A -0.5310
1505 P A -0.2096
1506 A A 0.4596
1507 L A 1.3051
1508 L A 0.4683
1509 A A 0.0000
1510 R A -2.1565
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 0.7761
1519 L A 0.1493
1520 P A -0.3534
1521 P A -0.9164
1522 E A -2.8584
1523 E A -2.8773
1524 L A 0.0000
1525 L A -1.4806
1526 R A -2.6657
1527 S A -1.7269
1528 S A -1.2253
1529 A A -1.3684
1530 D A -1.4298
1531 F A 0.0000
1532 L A 0.0000
1533 Q A 0.0000
1534 R A -0.9506
1535 L A 0.0000
1536 S A 0.0000
1537 A A -0.3153
1538 I A -0.2428
1539 L A 0.0000
1540 R A -0.4658
1541 T A 0.0000
1542 S A 0.0000
1543 L A 0.0000
1544 R A -0.8542
1545 F A -0.2890
1546 R A -0.2594
1547 L A 0.1829
1548 D A -0.8429
1549 A A -0.8274
1550 H A -1.5087
1551 G A -1.2421
1552 Q A -1.3969
1553 A A -0.2044
1554 M A 0.4180
1555 V A 0.5890
1556 F A 1.2057
1557 P A 0.2302
1558 Y A 0.1229
1559 H A -1.1198
1560 R A -2.2491
1561 P A -1.6031
1562 S A -1.3550
1563 P A -1.1880
1564 G A -1.3037
1565 S A -1.7531
1566 E A -2.7443
1567 P A -2.3987
1568 R A -3.5085
1569 A A -2.7896
1570 R A -3.5966
1571 R A -3.3967
1572 E A -2.6754
1573 L A -0.3914
1574 A A -0.2754
1575 P A -0.9575
1576 E A -1.0655
1577 V A 0.2927
1578 I A 0.1588
1579 G A 0.0000
1580 S A 0.0000
1581 V A 0.6738
1582 V A 0.0000
1583 M A 0.1289
1584 L A 0.0000
1585 E A -0.7969
1586 I A 0.0000
1587 D A 0.0000
1588 N A 0.0000
1589 R A 0.3275
1590 L A -0.2019
1591 C A 0.0000
1592 L A -0.8074
1593 Q A -1.3874
1594 S A -1.3997
1595 P A -1.4099
1596 E A -2.0040
1597 N A -2.4165
1598 D A -2.5661
1599 H A -1.5091
1600 C A 0.0000
1601 F A 0.0000
1602 P A -0.9965
1603 D A -1.5781
1604 A A 0.0000
1605 Q A -1.3986
1606 S A -0.8653
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 -0.9780
1616 A A 0.0000
1617 V A -1.3392
1618 E A -2.7084
1619 R A -2.3683
1620 L A -1.5141
1621 D A -2.2049
1622 F A -0.8515
1623 P A -0.5823
1624 Y A -0.1651
1625 P A 0.0561
1626 L A 0.0563
1627 R A -0.7521
1628 D A -0.6771
1629 V A 0.0000
1630 R A -1.2396
1631 G A -1.3883
1632 E A -1.7131
1633 P A -1.5833
1634 L A -1.0906
1635 E A -2.3993
1636 P A -1.6644
1637 P A -1.7975
1638 E A -2.3031
1639 P A -0.8780
1640 S A -0.0496
1641 V A 1.8269
1642 P A 1.8593
1643 L A 3.2353
1644 L A 3.5456
1645 P A 2.9237
1646 L A 3.7817
1647 L A 3.8054
1648 V A 3.6211
1649 A A 3.0446
1650 G A 2.6776
1651 A A 2.9901
1652 V A 4.1774
1653 L A 4.3423
1654 L A 4.7201
1655 L A 4.9168
1656 V A 4.8055
1657 I A 5.3737
1658 L A 5.0945
1659 V A 4.6501
1660 L A 3.8065
1661 G A 2.9043
1662 V A 3.1992
1663 M A 1.9618
1664 V A 0.6604
1665 A A -0.4593
1666 R A -2.6910
1667 R A -3.9479
1668 K A -4.5960
1669 R A -4.5291
1670 E A -4.0948
1671 H A -2.5147
1672 S A -0.9025
1673 T A 0.6285
1674 L A 2.4091
1675 W A 2.5404
1676 F A 2.5907
1677 P A 0.4766
1678 E A -1.0755
1679 G A -0.0958
1680 F A 1.6296
1681 S A 0.5694
1682 L A 0.7840
1683 H A -1.1198
1684 K A -2.2654
1685 D A -1.7423
1686 V A 0.2593
1687 A A 0.3015
1688 S A -0.3819
1689 G A -1.4250
1690 H A -2.2696
1691 K A -2.9334
1692 G A -2.9466
1693 R A -3.7683
1694 R A -3.6482
1695 E A -3.0154
1696 P A -1.1636
1697 V A 0.5862
1698 G A -0.7323
1699 Q A -1.7803
1700 D A -2.0853
1701 A A -0.3197
1702 L A 0.8183
1703 G A 0.0802
1704 M A 0.2737
1705 K A -1.5426
1706 N A -1.4627
1707 M A -0.2545
1708 A A -0.8012
1709 K A -2.1074
1710 G A -1.9341
1711 E A -1.9356
1712 S A -0.3912
1713 L A 0.9840
1714 M A 1.1085
1715 G A 0.1234
1716 E A -0.9752
1717 V A 0.6804
1718 A A 0.0558
1719 T A -0.4430
1720 D A -1.1728
1721 W A 0.5375
1722 M A -0.0581
1723 D A -1.8793
1724 T A -1.3796
1725 E A -2.2797
1726 C A -0.9188
1727 P A -1.5984
1728 E A -2.7651
1729 A A -1.9131
1730 K A -2.9123
1731 R A -2.3837
1732 L A -0.3675
1733 K A -1.6268
1734 V A -0.3830
1735 E A -2.2734
1736 E A -2.4796
1737 P A -1.3692
1738 G A -0.9260
1739 M A 0.0475
1740 G A -0.8605
1741 A A -1.4127
1742 E A -2.4044
1743 E A -2.5708
1744 A A -0.6000
1745 V A 0.7453
1746 D A -0.3100
1747 C A 0.3549
1748 R A -0.9204
1749 Q A -1.4052
1750 W A -0.3017
1751 T A -0.5567
1752 Q A -0.1822
1753 H A -0.2117
1754 H A 0.0000
1755 L A 0.9264
1756 V A 1.1735
1757 A A 0.0000
1758 A A 0.5151
1759 D A 0.3428
1760 I A 1.2550
1761 R A -0.4575
1762 V A 0.7099
1763 A A 0.2671
1764 P A 0.2164
1765 A A 0.8017
1766 M A 1.6344
1767 A A 0.9414
1768 L A 1.6011
1769 T A 0.4599
1770 P A -0.5154
1771 P A -1.1205
1772 Q A -2.1084
1773 G A -2.2846
1774 D A -2.8689
1775 A A -2.3304
1776 D A -2.7950
1777 A A -1.8861
1778 D A -2.4578
1779 G A -1.8607
1780 M A -1.1650
1781 D A -2.0779
1782 V A 0.0000
1783 N A -1.4761
1784 V A -0.8222
1785 R A -1.4915
1786 G A 0.0000
1787 P A -1.0013
1788 D A -1.7441
1789 G A 0.0000
1790 F A -0.7800
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 0.2890
1799 C A 0.1684
1800 G A -0.8189
1801 G A -0.2968
1802 A A 0.3626
1803 L A 0.7659
1804 E A -1.0242
1805 P A -0.2697
1806 M A 0.2919
1807 P A -1.0803
1808 T A -1.6137
1809 E A -3.3561
1810 E A -4.0935
1811 D A -4.5528
1812 E A -4.3922
1813 A A -3.4677
1814 D A -3.6705
1815 D A -3.4537
1816 T A -1.9870
1817 S A -1.6699
1818 A A 0.0000
1819 S A -1.2274
1820 I A -0.4818
1821 I A 0.0000
1822 S A -0.9449
1823 D A -1.7803
1824 L A 0.0000
1825 I A -0.6515
1826 C A -0.4668
1827 Q A -1.7975
1828 G A -1.4893
1829 A A 0.0000
1830 Q A -1.6618
1831 L A -1.1287
1832 G A -1.4270
1833 A A 0.0000
1834 R A -2.3193
1835 T A 0.0000
1836 D A -3.2370
1837 R A -3.2835
1838 T A -1.9547
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 -0.5948
1849 Y A 0.2346
1850 A A -0.2138
1851 R A 0.0000
1852 A A -0.4500
1853 D A -1.1406
1854 A A 0.0000
1855 A A 0.0000
1856 K A -1.6419
1857 R A -1.4364
1858 L A 0.0000
1859 L A -1.5888
1860 D A -2.2107
1861 A A -1.2375
1862 G A -1.5717
1863 A A -1.7444
1864 D A -2.2525
1865 T A 0.0000
1866 N A -1.8523
1867 A A -1.5613
1868 Q A -1.9030
1869 D A 0.0000
1870 H A -1.9505
1871 S A -0.9340
1872 G A -1.2213
1873 R A -1.1571
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 -0.4113
1882 A A -0.6942
1883 D A -1.5942
1884 A A 0.0000
1885 Q A -1.3812
1886 G A -0.7563
1887 V A 0.0000
1888 F A 0.0000
1889 Q A -0.9037
1890 I A -0.7637
1891 L A 0.0000
1892 I A -1.4027
1893 R A -2.3828
1894 N A -2.2218
1895 R A -2.7416
1896 S A -2.1246
1897 T A 0.0000
1898 D A -2.0084
1899 L A -1.5561
1900 D A -1.7420
1901 A A -1.4613
1902 R A -1.7645
1903 M A -1.2817
1904 A A -1.0903
1905 D A -1.3193
1906 G A -1.2733
1907 S A 0.0000
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 0.2988
1916 L A 0.5156
1917 A A -0.3295
1918 V A -1.1238
1919 E A -2.5175
1920 G A -2.0117
1921 M A 0.0000
1922 V A 0.0000
1923 E A -2.2014
1924 E A -1.6496
1925 L A 0.0000
1926 I A -1.2248
1927 A A -0.9505
1928 S A -1.1894
1929 H A -1.6658
1930 A A 0.0000
1931 D A -1.7586
1932 V A -1.2867
1933 N A -1.0360
1934 A A 0.0000
1935 V A -0.2702
1936 D A 0.0000
1937 E A -1.7182
1938 L A -0.4274
1939 G A -0.7020
1940 K A -0.5495
1941 S A 0.0000
1942 A A 0.0000
1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.3172
1946 A A 0.0000
1947 A A 0.0000
1948 A A -0.3249
1949 V A 0.4578
1950 N A -0.6886
1951 N A 0.0000
1952 V A -0.6351
1953 E A -1.9768
1954 A A 0.0000
1955 T A 0.0000
1956 L A -0.5374
1957 A A -1.2812
1958 L A 0.0000
1959 L A -1.5002
1960 K A -2.2091
1961 N A -2.4119
1962 G A -1.9258
1963 A A 0.0000
1964 N A -1.9301
1965 K A -1.4262
1966 D A -1.4953
1967 M A -1.2862
1968 Q A -1.8064
1969 D A 0.0000
1970 S A -1.5420
1971 K A -2.0203
1972 E A -2.6303
1973 E A 0.0000
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 -2.3609
1982 E A -2.2607
1983 G A -1.5706
1984 S A 0.0000
1985 Y A -1.0483
1986 E A -1.7379
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.5894
1990 L A -1.0042
1991 L A 0.0000
1992 L A -0.9178
1993 D A -1.5779
1994 H A -0.6301
1995 F A 0.0794
1996 A A 0.0000
1997 N A -1.4430
1998 R A -1.6430
1999 E A -2.1767
2000 I A -1.5788
2001 T A -1.7934
2002 D A 0.0000
2003 H A -1.6726
2004 L A -0.2151
2005 D A -1.7207
2006 R A -1.6553
2007 L A -1.5858
2008 P A 0.0000
2009 R A -3.4127
2010 D A -2.9814
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -3.3597
2014 E A -3.4126
2015 R A -3.1519
2016 L A -1.0275
2017 H A -2.1234
2018 Q A -2.5234
2019 D A -2.1525
2020 I A 0.0000
2021 V A -2.8567
2022 R A -3.6158
2023 L A 0.0000
2024 L A 0.0000
2025 D A -3.3071
2026 Q A -2.5602
2027 P A -1.8552
2028 S A -1.6318
2029 G A -1.3007
2030 P A -1.3519
2031 R A -2.2489
2032 S A -1.3844
2033 P A -1.2027
2034 P A -1.2171
2035 G A -1.1507
2036 P A -0.9222
2037 H A -1.1850
2038 G A -0.5019
2039 L A 0.9753
2040 G A 0.4986
2041 P A 1.1422
2042 L A 2.4907
2043 L A 2.4259
2044 C A 1.6680
2045 P A 0.4755
2046 P A -0.0095
2047 G A 0.0756
2048 A A 0.9906
2049 F A 2.4644
2050 L A 2.4273
2051 P A 1.1024
2052 G A 0.3776
2053 L A 0.6601
2054 K A -1.2078
2055 A A -0.7669
2056 A A -0.8761
2057 Q A -1.6073
2058 S A -1.3138
2059 G A -1.5808
2060 S A -1.9192
2061 K A -3.0370
2062 K A -3.3439
2063 S A -2.9577
2064 R A -3.4968
2065 R A -3.1624
2066 P A -1.9106
2067 P A -1.6461
2068 G A -1.5139
2069 K A -2.0660
2070 A A -0.8153
2071 G A -0.2452
2072 L A 1.0326
2073 G A -0.1198
2074 P A -0.8400
2075 Q A -1.7359
2076 G A -1.7583
2077 P A -1.9583
2078 R A -2.7906
2079 G A -2.6816
2080 R A -3.4497
2081 G A -2.7460
2082 K A -2.8986
2083 K A -1.9260
2084 L A 0.6138
2085 T A 0.8245
2086 L A 1.9561
2087 A A 1.2280
2088 C A 0.6553
2089 P A 0.2434
2090 G A -0.3682
2091 P A -0.4962
2092 L A 0.6331
2093 A A -0.3814
2094 D A -1.2791
2095 S A -0.4168
2096 S A 0.2113
2097 V A 1.7661
2098 T A 1.3597
2099 L A 2.0811
2100 S A 0.8541
2101 P A 0.3760
2102 V A 1.0917
2103 D A -0.9676
2104 S A -0.7111
2105 L A 0.2460
2106 D A -1.7708
2107 S A -1.3056
2108 P A -1.3006
2109 R A -1.9451
2110 P A -0.4793
2111 F A 0.9143
2112 G A -0.1655
2113 G A -0.4155
2114 P A -0.4704
2115 P A -0.5978
2116 A A -0.3925
2117 S A -0.5687
2118 P A -0.4982
2119 G A -0.4311
2120 G A 0.2818
2121 F A 1.6521
2122 P A 0.7697
2123 L A 0.8336
2124 E A -1.2230
2125 G A -0.8533
2126 P A -0.1413
2127 Y A 1.1373
2128 A A 0.7756
2129 A A 0.3809
2130 A A 0.0819
2131 T A -0.0136
2132 A A 0.0103
2133 T A 0.3556
2134 A A 0.8370
2135 V A 1.9843
2136 S A 1.5222
2137 L A 1.5829
2138 A A 0.6252
2139 Q A -0.0947
2140 L A 0.5839
2141 G A -0.2456
2142 G A -0.6384
2143 P A -1.2079
2144 G A -1.5917
2145 R A -2.1900
2146 A A -0.9709
2147 G A -0.0556
2148 L A 0.6964
2149 G A -0.9501
2150 R A -2.4933
2151 Q A -2.5074
2152 P A -1.5604
2153 P A -0.9965
2154 G A -0.5079
2155 G A 0.2483
2156 C A 1.6171
2157 V A 2.8136
2158 L A 2.7483
2159 S A 1.9209
2160 L A 2.3367
2161 G A 1.4456
2162 L A 2.2708
2163 L A 1.7828
2164 N A 0.1287
2165 P A 0.5533
2166 V A 1.8013
2167 A A 1.7209
2168 V A 2.3362
2169 P A 1.2495
2170 L A 1.2805
2171 D A -0.2659
2172 W A 0.4559
2173 A A -0.0433
2174 R A -0.8735
2175 L A 0.5540
2176 P A -0.1207
2177 P A -0.3703
2178 P A -0.3510
2179 A A -0.3125
2180 P A -0.5466
2181 P A -0.7231
2182 G A -0.5865
2183 P A 0.0568
2184 S A 1.0240
2185 F A 2.8476
2186 L A 3.2202
2187 L A 3.0597
2188 P A 1.6618
2189 L A 1.6643
2190 A A 0.6447
2191 P A -0.2766
2192 G A -0.6668
2193 P A -0.5287
2194 Q A -0.4262
2195 L A 1.2150
2196 L A 1.2072
2197 N A -0.4937
2198 P A -0.6073
2199 G A -0.6098
2200 T A -0.1802
2201 P A 0.3588
2202 V A 1.2677
2203 S A -0.0589
2204 P A -1.1540
2205 Q A -2.4911
2206 E A -3.5091
2207 R A -3.2374
2208 P A -1.7877
2209 P A -0.6157
2210 P A 0.5387
2211 Y A 1.9945
2212 L A 2.6250
2213 A A 1.8502
2214 V A 1.9222
2215 P A 0.3114
2216 G A -0.7492
2217 H A -1.9420
2218 G A -2.4497
2219 E A -2.9121
2220 E A -2.2291
2221 Y A -0.1466
2222 P A -0.2367
2223 A A -0.0493
2224 A A -0.3122
2225 G A -0.6251
2226 A A -0.7031
2227 H A -1.2490
2228 S A -0.8905
2229 S A -0.9302
2230 P A -1.0679
2231 P A -1.4480
2232 K A -2.0335
2233 A A -1.1631
2234 R A -0.9853
2235 F A 1.1912
2236 L A 1.4694
2237 R A 0.0462
2238 V A 0.9955
2239 P A -0.3097
2240 S A -1.0567
2241 E A -2.3877
2242 H A -1.5445
2243 P A -0.0929
2244 Y A 1.4196
2245 L A 1.9254
2246 T A 0.7706
2247 P A -0.1505
2248 S A -0.9607
2249 P A -1.4162
2250 E A -2.1962
2251 S A -1.9244
2252 P A -1.8084
2253 E A -2.2639
2254 H A -1.4647
2255 W A 0.2074
2256 A A 0.0080
2257 S A -0.1973
2258 P A -0.4061
2259 S A -0.5663
2260 P A -0.6190
2261 P A -0.1958
2262 S A 0.2482
2263 L A 0.8545
2264 S A -0.2586
2265 D A -1.0480
2266 W A -0.2451
2267 S A -0.8858
2268 E A -1.7946
2269 S A -1.3075
2270 T A -0.7693
2271 P A -0.4993
2272 S A -0.4695
2273 P A -0.3999
2274 A A -0.1557
2275 T A -0.0821
2276 A A -0.1017
2277 T A -0.2915
2278 G A -0.2345
2279 A A 0.4052
2280 M A 1.0008
2281 A A 0.5697
2282 T A 0.0700
2283 T A -0.2401
2284 T A -0.3765
2285 G A -0.1566
2286 A A 0.6320
2287 L A 1.3649
2288 P A 0.2452
2289 A A -0.4160
2290 Q A -1.0291
2291 P A -0.2017
2292 L A 1.3589
2293 P A 1.2740
2294 L A 2.0455
2295 S A 1.4517
2296 V A 1.8355
2297 P A 0.5808
2298 S A 0.3010
2299 S A 0.5136
2300 L A 1.1254
2301 A A 0.1290
2302 Q A -1.0697
2303 A A -1.1469
2304 Q A -1.7461
2305 T A -1.0535
2306 Q A -0.8223
2307 L A 0.6269
2308 G A -0.3999
2309 P A -0.8681
2310 Q A -1.7887
2311 P A -1.3347
2312 E A -1.3678
2313 V A 0.5973
2314 T A -0.1731
2315 P A -1.4493
2316 K A -2.8214
2317 R A -2.7415
2318 Q A -1.2113
2319 V A 1.2729
2320 L A 1.9689
2321 A A 1.1801
Download PDB file
View in 3Dmol

Calculations for various pH values

This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.

pH
Average A4D Score
Max A4D Score
4.0 -0.0595 7.6505 View CSV PDB
4.5 -0.1439 7.5872 View CSV PDB
5.0 -0.2465 7.4963 View CSV PDB
5.5 -0.3534 7.3931 View CSV PDB
6.0 -0.4521 7.2934 View CSV PDB
6.5 -0.5345 7.2138 View CSV PDB
7.0 -0.5997 7.1654 View CSV PDB
7.5 -0.6528 7.1437 View CSV PDB
8.0 -0.6972 7.1357 View CSV PDB
8.5 -0.7316 7.133 View CSV PDB
9.0 -0.7522 7.1322 View CSV PDB