Project name: C123Y

Status: done

Started: 2026-05-14 00:49:59
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPYLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:17)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:18)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:01)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/20ecb919363129/tmp/folded.pdb                 (00:18:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:38:47)
Show buried residues

Minimal score value
-4.8882
Maximal score value
5.7064
Average score
-0.7651
Total score value
-1775.7679

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 0.7144
2 G A -0.1965
3 P A -0.6910
4 G A -1.0293
5 A A -1.5254
6 R A -2.8901
7 G A -3.0087
8 R A -4.1564
9 R A -4.6610
10 R A -4.8882
11 R A -4.8149
12 R A -4.2887
13 R A -3.3101
14 P A -1.4170
15 M A 0.0196
16 S A -0.2056
17 P A -0.3413
18 P A -0.5158
19 P A -0.6807
20 P A -0.6895
21 P A -0.4129
22 P A -0.3618
23 P A -0.0680
24 V A 0.8591
25 R A -0.6813
26 A A 0.4929
27 L A 2.0074
28 P A 1.8821
29 L A 3.4367
30 L A 4.0014
31 L A 3.9497
32 L A 3.6992
33 L A 3.0815
34 A A 1.4920
35 G A 0.2301
36 P A -0.2922
37 G A -0.6633
38 A A -0.3055
39 A A -0.6768
40 A A -1.0935
41 P A -0.4653
42 P A -0.8211
43 C A -0.5601
44 L A 0.4186
45 D A -1.2885
46 G A -0.9341
47 S A -1.1070
48 P A 0.0000
49 C A -1.5462
50 A A -1.5083
51 N A -1.7331
52 G A -1.3307
53 G A 0.0000
54 R A -1.7214
55 C A 0.0000
56 T A -0.6816
57 Q A -1.6768
58 L A -1.1628
59 P A -1.2385
60 S A -1.7442
61 R A -2.9669
62 E A -2.8862
63 A A -1.6489
64 A A -1.3116
65 C A -0.9699
66 L A 0.5104
67 C A -0.2511
68 P A -0.1988
69 P A -0.4484
70 G A -1.0243
71 W A -0.9517
72 V A -0.9064
73 G A -1.1475
74 E A -2.3099
75 R A -2.6623
76 C A 0.0000
77 Q A -1.8703
78 L A -1.5554
79 E A -2.3052
80 D A -1.5736
81 P A -1.3274
82 C A -0.9131
83 H A -1.5529
84 S A -1.1555
85 G A -0.8867
86 P A -0.4108
87 C A -0.7576
88 A A -0.6667
89 G A -1.1438
90 R A -2.1021
91 G A -1.1488
92 V A 0.4677
93 C A -0.1399
94 Q A -0.5108
95 S A -0.3608
96 S A 0.0473
97 V A 0.8187
98 V A 1.6217
99 A A 0.6463
100 G A -0.1597
101 T A -0.0860
102 A A 0.0000
103 R A -1.2053
104 F A -0.4306
105 S A -0.7016
106 C A -0.8537
107 R A -1.7053
108 C A -1.2957
109 P A -1.4693
110 R A -2.0690
111 G A -0.4275
112 F A -0.5662
113 R A -0.8349
114 G A -0.6739
115 P A -0.8068
116 D A -0.8682
117 C A 0.0000
118 S A -0.5180
119 L A -0.4459
120 P A -0.2558
121 D A 0.0476
122 P A 0.0000
123 Y A 1.7421
124 L A 1.0215
125 S A 0.3844
126 S A 0.0028
127 P A -0.2190
128 C A 0.0000
129 A A -1.6225
130 H A -1.6966
131 G A -1.2496
132 A A -1.4761
133 R A -1.6678
134 C A 0.1961
135 S A 0.4359
136 V A 0.6555
137 G A -0.3482
138 P A -1.0984
139 D A -2.2361
140 G A 0.0000
141 R A -1.5423
142 F A 0.2295
143 L A 0.9712
144 C A -0.3887
145 S A -0.7759
146 C A -1.2631
147 P A -0.8318
148 P A -0.5624
149 G A -0.8662
150 Y A -1.8270
151 Q A -2.4067
152 G A -2.4639
153 R A -2.2383
154 S A -1.5885
155 C A 0.0000
156 R A -2.9194
157 S A -2.2442
158 D A -1.8250
159 V A -1.2043
160 D A -1.1689
161 E A -1.4580
162 C A -1.4070
163 R A -1.7738
164 V A 0.1089
165 G A -1.0229
166 E A -2.3786
167 P A -1.8070
168 C A 0.0000
169 R A -2.9538
170 H A -2.2191
171 G A -1.7586
172 G A -1.7731
173 T A -1.2394
174 C A -1.3464
175 L A -0.2953
176 N A -1.0858
177 T A 0.0000
178 P A -1.1390
179 G A -1.0906
180 S A -0.8031
181 F A -0.9372
182 R A -1.8463
183 C A -1.6643
184 Q A -1.3324
185 C A -1.3516
186 P A -0.6995
187 A A 0.0283
188 G A 0.0090
189 Y A -0.6452
190 T A -0.7541
191 G A -1.1418
192 P A -1.1300
193 L A -1.4349
194 C A 0.0000
195 E A -1.8440
196 N A -1.5379
197 P A -0.5864
198 A A 0.2149
199 V A 0.7784
200 P A -0.1443
201 C A -0.3040
202 A A 0.1322
203 P A -0.0599
204 S A -0.7622
205 P A -1.1680
206 C A 0.0000
207 R A -2.9063
208 N A -1.9638
209 G A -1.1959
210 G A -1.5150
211 T A -1.1424
212 C A -1.7995
213 R A -2.8695
214 Q A -2.3500
215 S A -1.7080
216 G A -1.2549
217 D A -1.1608
218 L A 0.6763
219 T A -0.5258
220 Y A -1.5924
221 D A -2.6811
222 C A -2.0623
223 A A -0.8521
224 C A -0.7937
225 L A 0.2248
226 P A -0.0784
227 G A -0.4091
228 F A -1.0489
229 E A -2.0502
230 G A -1.8501
231 Q A -2.3464
232 N A -2.3499
233 C A 0.0000
234 E A -2.1979
235 V A -0.8478
236 N A -0.7953
237 V A -0.8377
238 D A -1.7162
239 D A -1.8438
240 C A -1.6614
241 P A -1.3803
242 G A -1.3414
243 H A -1.6399
244 R A -2.0775
245 C A -0.9814
246 L A 0.0503
247 N A -0.8608
248 G A -0.6075
249 G A -0.8128
250 T A -0.6798
251 C A -0.8848
252 V A -0.4799
253 D A -1.0854
254 G A -0.3413
255 V A 0.6440
256 N A -0.8118
257 T A -0.7817
258 Y A -1.3826
259 N A -1.8672
260 C A -1.3354
261 Q A -1.3958
262 C A -1.1071
263 P A -0.6672
264 P A -0.8357
265 E A -1.3196
266 W A -1.1794
267 T A -1.4739
268 G A -1.5469
269 Q A -1.8831
270 F A -1.3291
271 C A 0.0000
272 T A -1.0446
273 E A -2.0658
274 D A -1.4057
275 V A -0.9403
276 D A -1.1365
277 E A -1.3008
278 C A -1.1024
279 Q A -1.2276
280 L A -0.0295
281 Q A -1.4843
282 P A -1.5231
283 N A -2.1618
284 A A -1.6089
285 C A 0.0000
286 H A -2.2029
287 N A -1.7442
288 G A -1.3700
289 G A -0.9048
290 T A -0.4576
291 C A -0.4984
292 F A -0.0489
293 N A -0.6767
294 T A 0.0739
295 L A 0.7078
296 G A -0.4616
297 G A -0.4032
298 H A -0.7405
299 S A -0.6019
300 C A -0.3646
301 V A 0.0845
302 C A -0.8369
303 V A 0.0000
304 N A -1.1872
305 G A 0.0000
306 W A -0.7394
307 T A -1.1594
308 G A -1.4587
309 E A -2.2397
310 S A -1.7315
311 C A 0.0000
312 S A -1.6388
313 Q A -1.8299
314 N A -1.4190
315 I A -0.8546
316 D A -1.9361
317 D A -1.1352
318 C A -0.5305
319 A A -0.2247
320 T A 0.1684
321 A A 0.8189
322 V A 1.9728
323 C A 1.6480
324 F A 0.9971
325 H A -0.8137
326 G A -0.4965
327 A A 0.2399
328 T A 0.1716
329 C A 0.1552
330 H A -1.0023
331 D A -1.8286
332 R A -1.9075
333 V A -0.7188
334 A A -0.6468
335 S A -0.6386
336 F A 0.0348
337 Y A 1.0062
338 C A 0.0000
339 A A 0.6488
340 C A 0.6151
341 P A 0.2074
342 M A 0.8600
343 G A -0.0664
344 K A -0.7010
345 T A -0.4781
346 G A 0.5328
347 L A 1.9522
348 L A 1.7784
349 C A 0.0000
350 H A -0.2199
351 L A -1.1513
352 D A -2.4048
353 D A -1.5610
354 A A -1.2435
355 C A -0.3937
356 V A 0.7234
357 S A -0.1634
358 N A -1.0552
359 P A -1.0053
360 C A -1.2672
361 H A -2.2138
362 E A -2.8812
363 D A -2.2177
364 A A -0.8227
365 I A 1.0352
366 C A -0.0701
367 D A -1.1783
368 T A 0.0000
369 N A -1.1450
370 P A -0.3486
371 V A 0.6583
372 N A -1.3302
373 G A -1.9182
374 R A -2.3494
375 A A 0.0000
376 I A 0.3688
377 C A -0.0315
378 T A 0.4567
379 C A -0.2568
380 P A 0.0000
381 P A -0.4192
382 G A -0.6891
383 F A -1.3902
384 T A -1.1790
385 G A -1.3802
386 G A -0.8851
387 A A -1.2354
388 C A 0.0000
389 D A -2.9133
390 Q A -2.5486
391 D A -1.9179
392 V A -0.8130
393 D A -0.8317
394 E A -0.1552
395 C A -0.1130
396 S A 0.1591
397 I A 1.2702
398 G A 0.1901
399 A A -0.5068
400 N A -1.5552
401 P A -1.0996
402 C A 0.0000
403 E A -2.8567
404 H A -1.4471
405 L A -0.1293
406 G A 0.0000
407 R A -2.1496
408 C A 0.0000
409 V A 0.1999
410 N A -0.4486
411 T A -0.4141
412 Q A -1.6729
413 G A -1.4438
414 S A -0.2314
415 F A 0.4219
416 L A 0.8571
417 C A -0.9828
418 Q A -1.4904
419 C A -1.8194
420 G A -1.3390
421 R A -1.9122
422 G A -1.1892
423 Y A -1.2805
424 T A -1.5596
425 G A -1.6743
426 P A -1.4206
427 R A -2.6496
428 C A 0.0000
429 E A -2.6786
430 T A -1.6826
431 D A -1.4328
432 V A -0.8504
433 N A -0.9180
434 E A -0.9642
435 C A -0.2258
436 L A 0.8676
437 S A 0.0535
438 G A -0.5863
439 P A -0.4125
440 C A -0.8199
441 R A -2.3716
442 N A -1.9306
443 Q A -1.8072
444 A A -0.4409
445 T A 0.2615
446 C A 0.3114
447 L A 0.1546
448 D A -1.0201
449 R A -1.4154
450 I A -0.0630
451 G A 0.0000
452 Q A -1.5791
453 F A -0.5736
454 T A 0.1588
455 C A 0.8279
456 I A 2.0388
457 C A 0.6531
458 M A 0.2800
459 A A 0.3097
460 G A -0.8358
461 F A -0.2939
462 T A -0.0627
463 G A -0.0354
464 T A 0.2620
465 Y A 0.2192
466 C A 0.0000
467 E A -1.1957
468 V A -0.3846
469 D A -1.8925
470 I A -1.5870
471 D A -3.2907
472 E A -3.0895
473 C A -2.2660
474 Q A -2.2705
475 S A -1.3538
476 S A -0.5245
477 P A -0.1615
478 C A 0.2816
479 V A 0.5554
480 N A -0.7787
481 G A -0.2743
482 G A 0.3476
483 V A 1.2084
484 C A -0.6203
485 K A -2.4033
486 D A -3.7341
487 R A -2.9678
488 V A -0.6608
489 N A -1.5210
490 G A -1.5538
491 F A -1.7327
492 S A -0.9124
493 C A 0.1573
494 T A 0.3441
495 C A 0.3553
496 P A -0.3254
497 S A -0.9533
498 G A -1.9807
499 F A -1.1903
500 S A -0.6524
501 G A -0.5340
502 S A -0.2295
503 T A 0.0456
504 C A 0.0000
505 Q A -1.0079
506 L A -0.3838
507 D A -2.6016
508 V A -1.9962
509 D A -2.8521
510 E A -2.6654
511 C A -1.6346
512 A A -0.9712
513 S A -0.7049
514 T A -1.0201
515 P A -1.0325
516 C A 0.0000
517 R A -3.2764
518 N A -3.1692
519 G A -2.4112
520 A A -2.9205
521 K A -2.9181
522 C A -2.2225
523 V A -1.8122
524 D A -3.1139
525 Q A -2.8567
526 P A -2.5955
527 D A -2.9269
528 G A -2.3377
529 Y A -2.0192
530 E A -2.2135
531 C A -2.4543
532 R A -2.8812
533 C A -2.9683
534 A A -1.9815
535 E A -1.8346
536 G A 0.0000
537 F A -2.2685
538 E A -3.0086
539 G A -2.1013
540 T A -1.4699
541 L A -2.0096
542 C A 0.0000
543 D A -3.4640
544 R A -3.5699
545 N A -2.1078
546 V A -1.5122
547 D A -2.1536
548 D A -1.3926
549 C A -1.6439
550 S A -1.6772
551 P A -1.6170
552 D A -2.7025
553 P A -2.0157
554 C A 0.0000
555 H A -2.6293
556 H A -2.0492
557 G A -1.8046
558 R A -2.1087
559 C A 0.0000
560 V A 0.4390
561 D A -0.5351
562 G A 0.5202
563 I A 1.2467
564 A A 0.0503
565 S A 0.1915
566 F A 0.0913
567 S A -0.0923
568 C A -0.8232
569 A A -0.3716
570 C A -1.0278
571 A A -0.8712
572 P A -0.6665
573 G A -0.9878
574 Y A -1.2381
575 T A -1.1937
576 G A -1.3565
577 T A -1.0971
578 R A -2.4635
579 C A 0.0000
580 E A -2.8435
581 S A -1.9648
582 Q A -1.6614
583 V A -1.6560
584 D A -2.7268
585 E A -2.6165
586 C A -2.5127
587 R A -3.0749
588 S A -2.0378
589 Q A -2.7626
590 P A 0.0000
591 C A 0.0000
592 R A -2.7601
593 H A -1.9750
594 G A -2.1053
595 G A -2.2591
596 K A -2.8047
597 C A -1.8462
598 L A -0.9436
599 D A -1.8995
600 L A -0.2432
601 V A -0.0231
602 D A -2.1595
603 K A -1.9410
604 Y A -0.5858
605 L A 0.3454
606 C A -1.0382
607 R A -2.0680
608 C A -1.3703
609 P A -1.3777
610 S A -0.6039
611 G A -0.7824
612 T A 0.0000
613 T A 0.1553
614 G A 0.4117
615 V A 1.3604
616 N A -0.5224
617 C A 0.0000
618 E A -0.7281
619 V A 0.5148
620 N A -0.7039
621 I A 0.0337
622 D A -2.1672
623 D A -2.8515
624 C A 0.0000
625 A A -1.0572
626 S A -1.2577
627 N A -1.4730
628 P A -0.4336
629 C A 0.1572
630 T A 0.5667
631 F A 1.4481
632 G A 0.9854
633 V A 1.5108
634 C A -0.3496
635 R A -2.3087
636 D A -2.2370
637 G A -2.1842
638 I A -1.2578
639 N A -2.3588
640 R A -3.2306
641 Y A -2.7258
642 D A -2.0487
643 C A -0.0778
644 V A 1.2493
645 C A 0.7522
646 Q A -0.6286
647 P A -1.3068
648 G A -1.7096
649 F A -0.5487
650 T A 0.2253
651 G A 0.3577
652 P A -0.0162
653 L A 0.7396
654 C A 0.0000
655 N A -0.3126
656 V A 0.5159
657 E A -1.5380
658 I A -1.1027
659 N A -1.8786
660 E A -1.7976
661 C A -0.8823
662 A A -0.6094
663 S A -0.5016
664 S A -0.2277
665 P A -0.3175
666 C A -0.1322
667 G A -0.7385
668 E A -2.0513
669 G A -1.2503
670 G A -0.3441
671 S A -0.2263
672 C A 0.0048
673 V A -0.4000
674 D A -2.4847
675 G A -2.6398
676 E A -3.3298
677 N A -2.9370
678 G A -1.9394
679 F A -1.2970
680 R A -1.1729
681 C A 0.2064
682 L A 1.3746
683 C A 0.3442
684 P A -0.2945
685 P A -0.2723
686 G A -0.7565
687 S A -0.3415
688 L A 0.2219
689 P A 0.1688
690 P A 0.2115
691 L A 0.7148
692 C A 0.0000
693 L A -0.0956
694 P A -0.5571
695 P A -0.6060
696 S A -0.6014
697 H A -0.8746
698 P A -1.2212
699 C A -1.0443
700 A A -1.2359
701 H A -1.9422
702 E A -1.7710
703 P A -1.4302
704 C A -0.7095
705 S A -0.9765
706 H A -0.5933
707 G A 0.2430
708 I A 1.9125
709 C A 0.4331
710 Y A 0.2677
711 D A -1.6959
712 A A -1.1461
713 P A -0.9871
714 G A -0.9674
715 G A -0.8348
716 F A -0.9609
717 R A -1.2707
718 C A -0.2205
719 V A 1.4984
720 C A -0.2030
721 E A -1.2964
722 P A -0.8841
723 G A -0.6701
724 W A -0.6043
725 S A -0.6901
726 G A -0.8367
727 P A -1.3384
728 R A -2.2171
729 C A 0.0000
730 S A -1.3844
731 Q A -1.5445
732 S A -0.4556
733 L A 0.3492
734 A A -0.6689
735 R A -2.7316
736 D A -3.0391
737 A A -1.9519
738 C A -2.1372
739 E A -3.0461
740 S A -1.7387
741 Q A -2.0302
742 P A -1.5290
743 C A -1.8177
744 R A -2.4587
745 A A -0.9077
746 G A -1.0545
747 G A -1.4027
748 T A -0.6461
749 C A -0.9454
750 S A -0.7620
751 S A -1.2956
752 D A -1.8708
753 G A -1.2522
754 M A 0.2216
755 G A -0.1887
756 F A -0.3969
757 H A -1.2087
758 C A -1.2391
759 T A -0.7595
760 C A -0.7924
761 P A -0.2663
762 P A -0.1175
763 G A 0.3803
764 V A 0.4487
765 Q A -0.2284
766 G A -1.1422
767 R A -2.4301
768 Q A -2.1417
769 C A 0.0000
770 E A -0.7788
771 L A 0.8771
772 L A 1.8115
773 S A 0.6459
774 P A 0.1936
775 C A -0.4596
776 T A -0.3501
777 P A -0.7302
778 N A -2.3053
779 P A -1.3362
780 C A 0.0000
781 E A -3.3471
782 H A -2.7556
783 G A -2.4158
784 G A 0.0000
785 R A -2.6779
786 C A -1.6487
787 E A -1.6718
788 S A -0.6566
789 A A -0.5359
790 P A -0.9008
791 G A -0.7354
792 Q A -0.7204
793 L A 1.0319
794 P A 0.2459
795 V A 1.0306
796 C A -0.7452
797 S A -1.0043
798 C A -1.4566
799 P A -1.5251
800 Q A -1.4494
801 G A 0.0000
802 W A -1.8300
803 Q A -2.0836
804 G A -1.5941
805 P A -0.8793
806 R A -1.9596
807 C A 0.0000
808 Q A -2.6673
809 Q A -2.5153
810 D A -1.6136
811 V A -1.1419
812 D A -1.4505
813 E A -1.0064
814 C A -0.2158
815 A A -0.5820
816 G A -0.6790
817 P A -0.4355
818 A A -0.0368
819 P A -0.1888
820 C A 0.0000
821 G A -0.5514
822 P A -0.6012
823 H A -1.1737
824 G A -0.0349
825 I A 1.5570
826 C A 0.8446
827 T A 0.3176
828 N A -0.1854
829 L A 0.3433
830 A A -0.0953
831 G A -0.9487
832 S A -0.4719
833 F A -0.0607
834 S A 0.2287
835 C A 0.4169
836 T A 0.3476
837 C A -0.5354
838 H A -0.9338
839 G A -0.8217
840 G A 0.0000
841 Y A -1.3490
842 T A -1.4469
843 G A -1.1933
844 P A -0.8700
845 S A -0.9400
846 C A 0.0000
847 D A -2.8154
848 Q A -2.7304
849 D A -2.2568
850 I A -1.2921
851 N A -2.4304
852 D A -2.0624
853 C A -2.1636
854 D A -2.6263
855 P A -1.9425
856 N A -1.7286
857 P A -1.0946
858 C A 0.0000
859 L A -0.3462
860 N A -0.2486
861 G A 0.0050
862 G A 0.0000
863 S A -0.5997
864 C A -1.3531
865 Q A -1.9707
866 D A -2.0959
867 G A -0.5772
868 V A 0.6649
869 G A -0.4156
870 S A -0.3807
871 F A -0.7553
872 S A -0.9601
873 C A -0.7160
874 S A -0.3750
875 C A 0.0616
876 L A 0.8918
877 P A 0.3043
878 G A -0.3388
879 F A -0.3841
880 A A -0.7953
881 G A -1.1606
882 P A -1.0845
883 R A -1.5523
884 C A 0.0000
885 A A -1.2679
886 R A -2.1845
887 D A -1.5068
888 V A -0.6314
889 D A -1.0830
890 E A -0.7367
891 C A -0.4986
892 L A 0.5898
893 S A -0.2955
894 N A -1.2166
895 P A -0.9122
896 C A 0.0000
897 G A -1.4853
898 P A -1.0166
899 G A -0.7979
900 T A -0.6230
901 C A -0.7045
902 T A -1.0882
903 D A -1.6967
904 H A -0.9072
905 V A -0.2966
906 A A -0.1876
907 S A -0.4106
908 F A -0.5583
909 T A -0.1516
910 C A 0.0000
911 T A 0.1635
912 C A -0.2903
913 P A -0.1831
914 P A -0.4368
915 G A -0.6423
916 Y A -1.0646
917 G A -1.0836
918 G A -0.8783
919 F A -0.0999
920 H A -1.4116
921 C A 0.0000
922 E A -2.8501
923 Q A -2.5500
924 D A -2.3893
925 L A -0.8303
926 P A -0.6743
927 D A -0.6484
928 C A -0.2474
929 S A 0.0000
930 P A -0.1558
931 S A -0.0061
932 S A 0.0000
933 C A 0.3152
934 F A -0.4289
935 N A -1.3179
936 G A -0.7656
937 G A -0.2013
938 T A 0.2368
939 C A 0.7107
940 V A 0.7335
941 D A -0.8429
942 G A -0.4211
943 V A 0.1120
944 N A -1.0697
945 S A -0.4075
946 F A 0.0587
947 S A 0.4540
948 C A 0.7998
949 L A 1.3880
950 C A -0.3143
951 R A -1.7990
952 P A -1.1302
953 G A -1.3879
954 Y A -1.1653
955 T A -0.7982
956 G A -0.2420
957 A A 0.1249
958 H A 0.0934
959 C A 0.0000
960 Q A -0.8835
961 H A -1.3204
962 E A -2.0115
963 A A -1.1416
964 D A -0.9482
965 P A -0.7576
966 C A -0.0621
967 L A 0.6932
968 S A -0.4513
969 R A -1.1065
970 P A -0.6656
971 C A -0.5469
972 L A 0.0166
973 H A -0.1953
974 G A -0.1124
975 G A 0.2078
976 V A 1.0866
977 C A 0.2795
978 S A -0.6480
979 A A -0.7540
980 A A -0.9623
981 H A -1.3078
982 P A -1.0161
983 G A -0.8576
984 F A -0.7668
985 R A -1.5031
986 C A -0.3643
987 T A 0.0684
988 C A 0.3333
989 L A 0.8479
990 E A -0.7482
991 S A -0.5047
992 F A -0.0213
993 T A -0.2750
994 G A -0.3468
995 P A -0.9084
996 Q A -1.0443
997 C A 0.0000
998 Q A -0.7758
999 T A -0.2062
1000 L A 0.3351
1001 V A -0.5057
1002 D A -1.7523
1003 W A -1.3768
1004 C A -1.6232
1005 S A -1.9467
1006 R A -2.7124
1007 Q A -2.7207
1008 P A -1.7395
1009 C A -1.7873
1010 Q A -2.4030
1011 N A -2.0929
1012 G A -1.6123
1013 G A -1.5523
1014 R A -1.6948
1015 C A -1.0692
1016 V A 0.1241
1017 Q A -0.5689
1018 T A -0.3834
1019 G A -0.3210
1020 A A -0.3624
1021 Y A 0.0530
1022 C A 0.0000
1023 L A 0.5089
1024 C A -0.5821
1025 P A -0.3913
1026 P A -0.3975
1027 G A -0.8144
1028 W A -1.1900
1029 S A -0.9880
1030 G A -1.0350
1031 R A -1.4441
1032 L A -1.2636
1033 C A 0.0000
1034 D A -1.8079
1035 I A 0.0000
1036 R A -2.0778
1037 S A -1.7042
1038 L A -1.8505
1039 P A -2.3144
1040 C A 0.0000
1041 R A -3.3142
1042 E A -2.8382
1043 A A 0.0000
1044 A A 0.0000
1045 A A -1.3653
1046 Q A -0.9598
1047 I A 0.9492
1048 G A -0.2442
1049 V A -0.8172
1050 R A -2.4712
1051 L A -2.4086
1052 E A -3.4589
1053 Q A -3.1037
1054 L A 0.0000
1055 C A 0.0000
1056 Q A -2.6013
1057 A A -1.8922
1058 G A -1.5651
1059 G A 0.0000
1060 Q A -1.2018
1061 C A 0.0000
1062 V A -0.6438
1063 D A -2.8171
1064 E A -3.2564
1065 D A -3.1323
1066 S A -2.1407
1067 S A -2.0550
1068 H A 0.0000
1069 Y A -0.0240
1070 C A 0.3873
1071 V A 0.9492
1072 C A -0.6982
1073 P A -1.3904
1074 E A -1.9694
1075 G A -1.7568
1076 R A -2.2142
1077 T A -1.5124
1078 G A -1.2930
1079 S A -0.7401
1080 H A -1.0584
1081 C A 0.0000
1082 E A -2.1514
1083 Q A -2.5119
1084 E A -2.9038
1085 V A -1.5714
1086 D A -1.6829
1087 P A -0.7721
1088 C A 0.0000
1089 L A 0.6078
1090 A A -0.0056
1091 Q A -0.7226
1092 P A -0.9566
1093 C A 0.0000
1094 Q A -2.3066
1095 H A -1.8539
1096 G A -1.2137
1097 G A -1.4726
1098 T A -1.1111
1099 C A -0.7885
1100 R A -1.2224
1101 G A 0.0270
1102 Y A 1.0707
1103 M A 0.7372
1104 G A -0.4596
1105 G A -0.0477
1106 Y A -0.0543
1107 M A -0.1195
1108 C A -1.4789
1109 E A -1.8507
1110 C A -1.4769
1111 L A 0.1368
1112 P A -0.2003
1113 G A 0.0000
1114 Y A -2.3314
1115 N A -3.0872
1116 G A -3.2385
1117 D A -2.9264
1118 N A -2.7718
1119 C A 0.0000
1120 E A -3.8903
1121 D A -4.4206
1122 D A -3.5575
1123 V A -2.4110
1124 D A -2.8536
1125 E A 0.0000
1126 C A -1.6294
1127 A A -1.1159
1128 S A -0.9310
1129 Q A -1.6238
1130 P A 0.0000
1131 C A 0.0000
1132 Q A -1.5740
1133 H A -0.8617
1134 G A -1.0487
1135 G A 0.0000
1136 S A -0.7240
1137 C A -0.7037
1138 I A 0.0000
1139 D A -2.3251
1140 L A -0.9847
1141 V A 0.1614
1142 A A -0.5327
1143 R A -1.8677
1144 Y A 0.0000
1145 L A -0.4671
1146 C A 0.0000
1147 S A 0.0000
1148 C A 0.0000
1149 P A -0.4498
1150 P A -0.3305
1151 G A -0.8257
1152 T A 0.0000
1153 L A 0.0788
1154 G A 0.3572
1155 V A 0.5089
1156 L A -0.1408
1157 C A 0.0000
1158 E A -0.7181
1159 I A 0.1797
1160 N A -1.3547
1161 E A -2.2318
1162 D A -2.5173
1163 D A -1.8606
1164 C A -1.1060
1165 G A -1.1383
1166 P A -1.0105
1167 G A -0.8518
1168 P A -0.2695
1169 P A -0.0330
1170 L A 0.8819
1171 D A -0.4430
1172 S A -0.5292
1173 G A -0.6382
1174 P A -0.9165
1175 R A -0.6948
1176 C A 0.0000
1177 L A -0.4905
1178 H A -1.3159
1179 N A -1.5847
1180 G A -0.8550
1181 T A -0.5657
1182 C A -0.2712
1183 V A -0.1470
1184 D A -0.8119
1185 L A -0.0142
1186 V A 0.5291
1187 G A -0.5638
1188 G A -0.6629
1189 F A -0.4015
1190 R A -1.1117
1191 C A -0.3829
1192 T A -0.2166
1193 C A -0.3319
1194 P A -0.5204
1195 P A -0.2424
1196 G A -0.2757
1197 Y A -0.2229
1198 T A 0.3298
1199 G A 0.5603
1200 L A 1.0691
1201 R A 0.0376
1202 C A 0.0000
1203 E A 0.1398
1204 A A 0.0000
1205 D A -0.3685
1206 I A -0.1018
1207 N A -0.7796
1208 E A -1.0175
1209 C A -1.2261
1210 R A -2.0699
1211 S A -1.3153
1212 G A -1.4039
1213 A A 0.0000
1214 C A -1.5884
1215 H A -1.4253
1216 A A -0.6838
1217 A A -0.4388
1218 H A -0.5217
1219 T A -0.8746
1220 R A -0.5225
1221 D A 0.0000
1222 C A -0.7385
1223 L A -0.4439
1224 Q A -0.9091
1225 D A -1.0182
1226 P A -0.5118
1227 G A -0.5706
1228 G A -0.4795
1229 G A -0.7190
1230 F A -0.9522
1231 R A -1.8131
1232 C A -1.1819
1233 L A -0.1828
1234 C A -0.3618
1235 H A -0.0932
1236 A A 0.2695
1237 G A 0.6945
1238 F A 0.6430
1239 S A 0.0150
1240 G A -0.8218
1241 P A -1.5425
1242 R A -2.2940
1243 C A 0.0000
1244 Q A -1.3630
1245 T A 0.0817
1246 V A 1.8956
1247 L A 1.1939
1248 S A -0.0649
1249 P A -0.4605
1250 C A 0.0000
1251 E A -2.2043
1252 S A -1.6020
1253 Q A -2.4617
1254 P A -1.5177
1255 C A 0.0000
1256 Q A -1.3914
1257 H A 0.0000
1258 G A -1.1552
1259 G A -1.7635
1260 Q A -2.3265
1261 C A 0.0000
1262 R A -2.2367
1263 P A -0.9570
1264 S A -0.5032
1265 P A -0.5446
1266 G A -0.4261
1267 P A -0.7066
1268 G A -0.9611
1269 G A -0.8981
1270 G A 0.0000
1271 L A 0.4098
1272 T A -0.1483
1273 F A -0.6314
1274 T A -1.0297
1275 C A -1.6159
1276 H A -1.7480
1277 C A -1.0338
1278 A A -0.5174
1279 Q A -0.5438
1280 P A -0.8791
1281 F A 0.0000
1282 W A -0.8764
1283 G A -0.9416
1284 P A -0.9412
1285 R A -1.7375
1286 C A 0.0000
1287 E A -1.2597
1288 R A -1.8168
1289 V A 0.0000
1290 A A 0.0000
1291 R A -2.6824
1292 S A -1.9304
1293 C A -1.8634
1294 R A -2.1532
1295 E A -1.9605
1296 L A 0.0000
1297 Q A -1.3358
1298 C A -0.5387
1299 P A 0.2848
1300 V A 1.4146
1301 G A 0.4809
1302 V A 0.1861
1303 P A -0.4554
1304 C A -1.2324
1305 Q A -1.5841
1306 Q A -2.1161
1307 T A -1.5730
1308 P A -1.3225
1309 R A -1.9203
1310 G A -1.6778
1311 P A 0.0000
1312 R A -1.8585
1313 C A -0.8849
1314 A A -0.4775
1315 C A -0.4237
1316 P A -0.1244
1317 P A -0.0600
1318 G A 0.0317
1319 L A 0.2799
1320 S A -0.2034
1321 G A -0.6846
1322 P A -1.0152
1323 S A -1.0480
1324 C A 0.0000
1325 R A -1.5059
1326 S A -0.2995
1327 F A 1.1854
1328 P A 0.0786
1329 G A -0.1869
1330 S A -0.4252
1331 P A -0.7759
1332 P A -0.8231
1333 G A -0.8941
1334 A A -0.8352
1335 S A -1.1616
1336 N A -1.6502
1337 A A -0.7233
1338 S A -0.6839
1339 C A -0.8129
1340 A A -0.3083
1341 A A -0.2457
1342 A A -0.1485
1343 P A 0.0000
1344 C A -0.6138
1345 L A -0.2884
1346 H A -1.0072
1347 G A -0.7277
1348 G A -0.8100
1349 S A -0.7382
1350 C A -1.1529
1351 R A -2.2871
1352 P A -1.2425
1353 A A -0.3743
1354 P A 0.2015
1355 L A 1.1436
1356 A A 0.1049
1357 P A -0.2873
1358 F A -0.1616
1359 F A 0.0000
1360 R A -1.2397
1361 C A -0.8396
1362 A A -0.6607
1363 C A -0.4889
1364 A A -0.6280
1365 Q A -1.5757
1366 G A -0.9984
1367 W A -0.7859
1368 T A -0.5476
1369 G A -0.6662
1370 P A -0.7032
1371 R A -0.8475
1372 C A 0.0000
1373 E A -1.2398
1374 A A -0.6814
1375 P A -0.8666
1376 A A -0.6531
1377 A A -0.2637
1378 A A -0.4060
1379 P A -0.8380
1380 E A -1.6279
1381 V A -0.0549
1382 S A -1.4105
1383 E A -2.8760
1384 E A -2.7336
1385 P A -2.4702
1386 R A -3.2138
1387 C A -2.3268
1388 P A -2.0415
1389 R A -2.5455
1390 A A -1.3481
1391 A A -1.4751
1392 C A 0.0000
1393 Q A -2.5806
1394 A A -1.9980
1395 K A -3.2249
1396 R A -3.8997
1397 G A -3.1913
1398 D A -3.9168
1399 Q A -3.6752
1400 R A -3.7240
1401 C A -2.5921
1402 D A -3.0925
1403 R A -3.3029
1404 E A -2.8598
1405 C A 0.0000
1406 N A -1.7450
1407 S A -1.4132
1408 P A -1.1324
1409 G A -1.8689
1410 C A -1.8346
1411 G A -0.7905
1412 W A 0.0000
1413 D A 0.0000
1414 G A -2.1551
1415 G A 0.0000
1416 D A -2.3839
1417 C A 0.0000
1418 S A 0.0000
1419 L A 0.0000
1420 S A -0.8676
1421 V A -0.6120
1422 G A -0.7566
1423 D A -1.3725
1424 P A 0.0000
1425 W A 0.0000
1426 R A -2.0800
1427 Q A -2.0397
1428 C A -1.4337
1429 E A -1.9031
1430 A A -0.5278
1431 L A 0.3040
1432 Q A -0.3754
1433 C A 0.0000
1434 W A -0.6959
1435 R A -1.8120
1436 L A -1.3993
1437 F A 0.0000
1438 N A -2.1208
1439 N A -1.8040
1440 S A -1.7336
1441 R A -2.1214
1442 C A -0.7884
1443 D A -0.6948
1444 P A -0.4719
1445 A A -0.3284
1446 C A 0.0000
1447 S A -0.4025
1448 S A -0.6677
1449 P A -0.6777
1450 A A -0.9428
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 -1.2993
1458 C A -0.4931
1459 H A -0.6489
1460 A A -0.6852
1461 G A -1.4503
1462 G A -1.8928
1463 R A -2.4648
1464 E A -3.1404
1465 R A -3.1140
1466 T A -1.9174
1467 C A 0.0000
1468 N A -0.9973
1469 P A -0.2838
1470 V A 0.9963
1471 Y A -0.2907
1472 E A -1.5784
1473 K A -2.3398
1474 Y A -1.1453
1475 C A 0.0000
1476 A A 0.0000
1477 D A -2.7972
1478 H A -2.2388
1479 F A 0.0000
1480 A A -1.6902
1481 D A -2.8364
1482 G A -2.1888
1483 R A -2.4538
1484 C A -1.2158
1485 D A 0.0000
1486 Q A -1.1608
1487 G A -0.8342
1488 C A 0.0000
1489 N A -0.5214
1490 T A -0.3839
1491 E A -0.4963
1492 E A 0.0000
1493 C A 0.0000
1494 G A 0.0000
1495 W A -0.1610
1496 D A 0.0000
1497 G A 0.0000
1498 L A 0.0000
1499 D A -1.4734
1500 C A -0.7420
1501 A A 0.0000
1502 S A -1.2564
1503 E A -1.8258
1504 V A -0.6269
1505 P A -0.3383
1506 A A 0.2372
1507 L A 0.8619
1508 L A 0.2481
1509 A A 0.0000
1510 R A -1.9982
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 0.7792
1519 L A 0.1562
1520 P A -0.3536
1521 P A -0.9233
1522 E A -2.9275
1523 E A -2.9874
1524 L A 0.0000
1525 L A -1.6063
1526 R A -2.8011
1527 S A -1.9214
1528 S A -1.3758
1529 A A -1.5040
1530 D A -1.8210
1531 F A 0.0000
1532 L A 0.0000
1533 Q A 0.0000
1534 R A -0.9770
1535 L A 0.0000
1536 S A 0.0000
1537 A A -0.2019
1538 I A -0.1330
1539 L A 0.0000
1540 R A -0.2703
1541 T A 0.0000
1542 S A 0.0000
1543 L A 0.0000
1544 R A -0.7980
1545 F A -0.2609
1546 R A -0.2432
1547 L A 0.2537
1548 D A -0.6893
1549 A A -0.7495
1550 H A -1.4344
1551 G A -1.1806
1552 Q A -1.3467
1553 A A -0.1618
1554 M A 0.3544
1555 V A 0.6477
1556 F A 1.3305
1557 P A 0.2594
1558 Y A 0.0960
1559 H A -1.1942
1560 R A -2.3945
1561 P A -1.6542
1562 S A -1.5358
1563 P A -1.2187
1564 G A -1.4034
1565 S A -1.8211
1566 E A -2.9429
1567 P A -2.8206
1568 R A -3.8326
1569 A A -3.3958
1570 R A -3.7525
1571 R A -3.4213
1572 E A -2.5316
1573 L A -0.5366
1574 A A -0.4327
1575 P A -1.1596
1576 E A -1.7819
1577 V A 0.0439
1578 I A -0.0671
1579 G A 0.0000
1580 S A 0.0000
1581 V A 0.7177
1582 V A 0.0000
1583 M A 0.1519
1584 L A 0.0000
1585 E A -0.7654
1586 I A 0.0000
1587 D A 0.0000
1588 N A 0.0000
1589 R A 0.2514
1590 L A -0.1312
1591 C A 0.0000
1592 L A -0.6037
1593 Q A -1.2409
1594 S A -1.2680
1595 P A -1.3021
1596 E A -1.8780
1597 N A -2.1179
1598 D A -2.4237
1599 H A -1.3728
1600 C A 0.0000
1601 F A 0.0000
1602 P A -0.8790
1603 D A -1.5665
1604 A A 0.0000
1605 Q A -1.1855
1606 S A -0.7969
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 -0.9334
1616 A A 0.0000
1617 V A -1.2851
1618 E A -2.6142
1619 R A -2.1743
1620 L A -1.4042
1621 D A -2.1322
1622 F A -0.8149
1623 P A -0.6121
1624 Y A -0.1910
1625 P A 0.0598
1626 L A 0.0230
1627 R A -0.8897
1628 D A -0.7194
1629 V A 0.0000
1630 R A -1.0580
1631 G A -1.2336
1632 E A -1.6062
1633 P A -1.4714
1634 L A -1.0015
1635 E A -2.1343
1636 P A -1.6242
1637 P A -1.7647
1638 E A -2.2614
1639 P A -0.9269
1640 S A 0.0969
1641 V A 1.8970
1642 P A 1.8942
1643 L A 3.2246
1644 L A 3.4731
1645 P A 2.5803
1646 L A 3.4979
1647 L A 3.9230
1648 V A 3.7150
1649 A A 2.7874
1650 G A 2.9005
1651 A A 3.5876
1652 V A 4.4807
1653 L A 4.7123
1654 L A 4.9721
1655 L A 5.5096
1656 V A 5.7064
1657 I A 5.6085
1658 L A 5.5898
1659 V A 5.5859
1660 L A 5.1224
1661 G A 3.8671
1662 V A 3.8715
1663 M A 3.0721
1664 V A 2.2743
1665 A A 0.1168
1666 R A -2.4609
1667 R A -4.0140
1668 K A -4.7020
1669 R A -4.7817
1670 E A -4.1614
1671 H A -2.8557
1672 S A -1.2812
1673 T A -0.0549
1674 L A 0.9417
1675 W A 1.3517
1676 F A 0.6514
1677 P A 0.0000
1678 E A -1.9455
1679 G A -1.3554
1680 F A 0.0000
1681 S A -0.7974
1682 L A -0.5561
1683 H A -1.6690
1684 K A -2.2190
1685 D A -1.9040
1686 V A 0.1464
1687 A A -0.2561
1688 S A -0.6823
1689 G A -1.2716
1690 H A -2.4694
1691 K A -3.3378
1692 G A -3.2941
1693 R A -4.1177
1694 R A -3.8095
1695 E A -2.9749
1696 P A -1.2778
1697 V A 0.1225
1698 G A -0.9387
1699 Q A -1.6302
1700 D A -1.8612
1701 A A -0.3974
1702 L A 0.7510
1703 G A 0.0006
1704 M A 0.2734
1705 K A -1.5032
1706 N A -1.5996
1707 M A -0.3209
1708 A A -0.8671
1709 K A -2.1811
1710 G A -2.2709
1711 E A -2.2621
1712 S A -0.2553
1713 L A 1.4765
1714 M A 1.2319
1715 G A -0.0077
1716 E A -0.9151
1717 V A 0.6746
1718 A A -0.0350
1719 T A -0.1899
1720 D A -0.9057
1721 W A 0.3430
1722 M A -0.0739
1723 D A -1.6339
1724 T A -1.1805
1725 E A -2.1737
1726 C A -0.9922
1727 P A -1.5598
1728 E A -2.7351
1729 A A -1.9249
1730 K A -2.9149
1731 R A -2.4099
1732 L A -0.4255
1733 K A -1.7700
1734 V A -0.5956
1735 E A -2.3767
1736 E A -2.5099
1737 P A -1.7319
1738 G A -1.7940
1739 M A -0.1295
1740 G A -0.8496
1741 A A -1.4200
1742 E A -2.3510
1743 E A -2.3161
1744 A A -0.5889
1745 V A 0.7647
1746 D A -0.1262
1747 C A 0.4073
1748 R A -0.7890
1749 Q A -1.2526
1750 W A -0.1476
1751 T A -0.5136
1752 Q A -0.5815
1753 H A -0.3066
1754 H A 0.0000
1755 L A 0.8803
1756 V A 1.2255
1757 A A 0.0000
1758 A A 0.2096
1759 D A -0.6030
1760 I A 0.9670
1761 R A -0.7569
1762 V A 0.6458
1763 A A 0.2277
1764 P A 0.1779
1765 A A 0.7887
1766 M A 1.6318
1767 A A 1.1901
1768 L A 1.6447
1769 T A 0.4916
1770 P A -0.5020
1771 P A -1.1258
1772 Q A -2.0496
1773 G A -2.2532
1774 D A -3.1322
1775 A A -2.5592
1776 D A -2.7361
1777 A A -2.0936
1778 D A -2.6978
1779 G A -1.9486
1780 M A -0.8374
1781 D A -1.7982
1782 V A 0.0000
1783 N A -1.3381
1784 V A -1.0854
1785 R A -1.5771
1786 G A 0.0000
1787 P A -0.7108
1788 D A -1.6600
1789 G A 0.0000
1790 F A -0.8196
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 0.6988
1799 C A 0.1649
1800 G A -0.4399
1801 G A -0.2822
1802 A A -0.2258
1803 L A 0.5814
1804 E A -1.0294
1805 P A -0.2893
1806 M A 0.2221
1807 P A -1.2709
1808 T A -1.6107
1809 E A -3.2695
1810 E A -4.0181
1811 D A -4.2044
1812 E A -4.0940
1813 A A -2.9873
1814 D A -3.4590
1815 D A -3.0023
1816 T A -1.9182
1817 S A -1.5706
1818 A A -1.4164
1819 S A -1.2152
1820 I A -0.4740
1821 I A 0.0000
1822 S A -0.8001
1823 D A -1.6754
1824 L A -1.0353
1825 I A -0.5632
1826 C A -0.3120
1827 Q A -1.5059
1828 G A -1.2832
1829 A A 0.0000
1830 Q A -1.6300
1831 L A -1.0845
1832 G A -1.3304
1833 A A 0.0000
1834 R A -2.9106
1835 T A 0.0000
1836 D A -3.4215
1837 R A -3.1901
1838 T A -2.0824
1839 G A -2.3794
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 -0.4315
1849 Y A 0.3351
1850 A A -0.4353
1851 R A 0.0000
1852 A A -1.1983
1853 D A -1.7338
1854 A A 0.0000
1855 A A 0.0000
1856 K A -2.7526
1857 R A -2.2852
1858 L A 0.0000
1859 L A -1.9611
1860 D A -2.5186
1861 A A -1.4158
1862 G A -1.6358
1863 A A -1.8111
1864 D A -2.1814
1865 T A 0.0000
1866 N A -1.7372
1867 A A 0.0000
1868 Q A -1.9831
1869 D A 0.0000
1870 H A -2.0044
1871 S A -0.8986
1872 G A -1.3912
1873 R A -1.3915
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 -0.4876
1882 A A -0.8002
1883 D A -1.9002
1884 A A 0.0000
1885 Q A -1.9944
1886 G A -1.3657
1887 V A 0.0000
1888 F A 0.0000
1889 Q A -1.1272
1890 I A -1.1844
1891 L A 0.0000
1892 I A -1.5318
1893 R A -2.4206
1894 N A -2.2406
1895 R A -2.7346
1896 S A -2.0634
1897 T A 0.0000
1898 D A -1.9582
1899 L A -1.4879
1900 D A -1.5611
1901 A A 0.0000
1902 R A -2.4354
1903 M A -1.6747
1904 A A -1.2756
1905 D A -1.5076
1906 G A -1.5067
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 0.2308
1916 L A 0.4468
1917 A A -0.2730
1918 V A 0.0000
1919 E A -2.6607
1920 G A -2.1034
1921 M A 0.0000
1922 V A 0.0000
1923 E A -2.1747
1924 E A -1.6761
1925 L A 0.0000
1926 I A -1.2363
1927 A A -0.9367
1928 S A -1.2013
1929 H A -1.6112
1930 A A 0.0000
1931 D A -1.6604
1932 V A -1.2548
1933 N A -0.9808
1934 A A -0.4832
1935 V A 0.1023
1936 D A 0.0000
1937 E A -1.7992
1938 L A -0.4497
1939 G A -0.4915
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 0.3529
1946 A A 0.0000
1947 A A 0.0000
1948 A A -0.2124
1949 V A 0.5348
1950 N A -0.7301
1951 N A 0.0000
1952 V A -0.6739
1953 E A -1.8395
1954 A A 0.0000
1955 T A 0.0000
1956 L A -0.5300
1957 A A -1.2690
1958 L A 0.0000
1959 L A -1.5074
1960 K A -2.2391
1961 N A -2.4627
1962 G A -1.9543
1963 A A 0.0000
1964 N A -1.9281
1965 K A -1.4579
1966 D A -1.4959
1967 M A -1.1909
1968 Q A -1.6556
1969 D A 0.0000
1970 S A -1.3510
1971 K A -1.5663
1972 E A -2.3516
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 -2.0464
1982 E A -1.8184
1983 G A -1.3902
1984 S A 0.0000
1985 Y A -1.3110
1986 E A -1.8692
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.8493
1990 L A -1.0321
1991 L A 0.0000
1992 L A -1.2286
1993 D A -1.8184
1994 H A -0.9899
1995 F A -0.7282
1996 A A 0.0000
1997 N A -1.6672
1998 R A -1.6324
1999 E A -2.1354
2000 I A -1.5470
2001 T A -1.7158
2002 D A 0.0000
2003 H A -1.6051
2004 L A -0.1643
2005 D A -1.7168
2006 R A -1.6398
2007 L A -1.4287
2008 P A 0.0000
2009 R A -3.3772
2010 D A -2.9689
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -3.2666
2014 E A -3.2137
2015 R A -2.6016
2016 L A -0.8185
2017 H A -2.0661
2018 Q A -2.4554
2019 D A -2.0716
2020 I A 0.0000
2021 V A 0.0000
2022 R A -3.4681
2023 L A 0.0000
2024 L A 0.0000
2025 D A -2.8638
2026 Q A -2.0812
2027 P A -1.5576
2028 S A -1.4570
2029 G A -1.5331
2030 P A -1.5302
2031 R A -2.2032
2032 S A -1.3119
2033 P A -1.0705
2034 P A -1.2560
2035 G A -0.9643
2036 P A -0.8819
2037 H A -1.1679
2038 G A -0.4978
2039 L A 0.9233
2040 G A 0.4616
2041 P A 1.1766
2042 L A 2.5214
2043 L A 2.4217
2044 C A 1.6483
2045 P A 0.4928
2046 P A 0.0691
2047 G A 0.1867
2048 A A 1.0735
2049 F A 2.4434
2050 L A 2.4072
2051 P A 0.9702
2052 G A 0.4393
2053 L A 0.6784
2054 K A -1.1888
2055 A A -0.7365
2056 A A -0.8738
2057 Q A -1.5996
2058 S A -1.2267
2059 G A -1.3609
2060 S A -1.9303
2061 K A -2.8239
2062 K A -3.0766
2063 S A -2.8117
2064 R A -3.2776
2065 R A -2.9701
2066 P A -1.7850
2067 P A -1.3664
2068 G A -1.4581
2069 K A -2.0606
2070 A A -0.8353
2071 G A -0.1974
2072 L A 1.0214
2073 G A -0.1299
2074 P A -0.8514
2075 Q A -1.7132
2076 G A -1.7075
2077 P A -1.9673
2078 R A -2.8166
2079 G A -2.6774
2080 R A -3.4563
2081 G A -2.7774
2082 K A -2.8459
2083 K A -1.9429
2084 L A 0.5960
2085 T A 0.8544
2086 L A 1.9700
2087 A A 1.2258
2088 C A 0.9200
2089 P A 0.2263
2090 G A 0.0027
2091 P A 0.0871
2092 L A 0.8123
2093 A A -0.2746
2094 D A -1.3504
2095 S A -0.5044
2096 S A 0.2302
2097 V A 1.7655
2098 T A 1.3722
2099 L A 1.9921
2100 S A 1.0034
2101 P A 0.1623
2102 V A -0.2026
2103 D A -2.6583
2104 S A -3.0950
2105 L A -3.2433
2106 D A -3.0928
2107 S A -2.0959
2108 P A -1.8062
2109 R A -1.7715
2110 P A -0.4500
2111 F A 0.9827
2112 G A -0.0619
2113 G A -0.4672
2114 P A -0.7085
2115 P A -0.5012
2116 A A -0.3450
2117 S A -0.4688
2118 P A -0.6728
2119 G A -0.4650
2120 G A 0.3052
2121 F A 1.6832
2122 P A 0.7602
2123 L A 0.8657
2124 E A -1.2201
2125 G A -0.8609
2126 P A -0.2500
2127 Y A 1.1266
2128 A A 0.6812
2129 A A 0.3644
2130 A A 0.0757
2131 T A -0.0132
2132 A A 0.0146
2133 T A 0.3710
2134 A A 0.8395
2135 V A 2.0355
2136 S A 1.4405
2137 L A 1.6123
2138 A A 0.7552
2139 Q A -0.1627
2140 L A 0.6073
2141 G A -0.1360
2142 G A -0.6145
2143 P A -1.2350
2144 G A -1.6727
2145 R A -2.2208
2146 A A -0.8717
2147 G A -0.1946
2148 L A 0.5251
2149 G A -0.8228
2150 R A -2.4224
2151 Q A -2.3326
2152 P A -1.4874
2153 P A -0.9554
2154 G A -0.5234
2155 G A 0.2124
2156 C A 1.6660
2157 V A 2.8478
2158 L A 2.8264
2159 S A 1.9348
2160 L A 2.4259
2161 G A 1.4530
2162 L A 2.0564
2163 L A 1.8949
2164 N A 0.1847
2165 P A 0.8113
2166 V A 1.9871
2167 A A 1.6814
2168 V A 2.3403
2169 P A 1.2452
2170 L A 1.3565
2171 D A -0.5249
2172 W A 0.5044
2173 A A -0.2000
2174 R A -1.1274
2175 L A 0.6083
2176 P A -0.1978
2177 P A -0.4116
2178 P A -0.3095
2179 A A -0.4162
2180 P A -0.5947
2181 P A -0.7028
2182 G A -0.5818
2183 P A 0.0529
2184 S A 1.0318
2185 F A 2.8475
2186 L A 3.2790
2187 L A 3.0574
2188 P A 1.8809
2189 L A 1.9216
2190 A A 0.5398
2191 P A -0.1472
2192 G A -0.8312
2193 P A -0.8050
2194 Q A -0.3304
2195 L A 1.2398
2196 L A 1.2011
2197 N A -0.3917
2198 P A -0.8440
2199 G A -0.8168
2200 T A -0.1292
2201 P A 0.3601
2202 V A 1.3308
2203 S A 0.1302
2204 P A -1.2247
2205 Q A -2.6919
2206 E A -3.6423
2207 R A -3.3914
2208 P A -1.9169
2209 P A -0.6185
2210 P A 0.3694
2211 Y A 1.9171
2212 L A 2.5435
2213 A A 2.0116
2214 V A 1.8937
2215 P A 0.2590
2216 G A -0.7661
2217 H A -2.1511
2218 G A -2.4594
2219 E A -3.0033
2220 E A -2.4419
2221 Y A -0.1273
2222 P A 0.0770
2223 A A 0.1666
2224 A A -0.1470
2225 G A -0.6510
2226 A A -0.6863
2227 H A -1.2237
2228 S A -0.9269
2229 S A -0.7331
2230 P A -0.8794
2231 P A -1.4493
2232 K A -2.3066
2233 A A -1.3072
2234 R A -0.9642
2235 F A 1.6184
2236 L A 1.7084
2237 R A 0.2154
2238 V A 1.2563
2239 P A -0.1098
2240 S A -1.2723
2241 E A -2.4085
2242 H A -1.7969
2243 P A -0.1593
2244 Y A 1.5260
2245 L A 2.0446
2246 T A 0.8756
2247 P A -0.3082
2248 S A -0.8969
2249 P A -1.5128
2250 E A -2.2020
2251 S A -1.7287
2252 P A -1.9989
2253 E A -2.2574
2254 H A -1.3565
2255 W A 0.2550
2256 A A 0.2483
2257 S A -0.1753
2258 P A -0.5135
2259 S A -0.5848
2260 P A -0.6064
2261 P A -0.2192
2262 S A 0.2867
2263 L A 0.8575
2264 S A -0.0754
2265 D A -0.9935
2266 W A -0.3279
2267 S A -0.9551
2268 E A -1.7896
2269 S A -1.1743
2270 T A -0.8005
2271 P A -0.6851
2272 S A -0.4750
2273 P A -0.4050
2274 A A -0.1399
2275 T A -0.0839
2276 A A -0.1040
2277 T A -0.2704
2278 G A -0.2286
2279 A A 0.3042
2280 M A 0.9981
2281 A A 0.6077
2282 T A 0.1331
2283 T A -0.2264
2284 T A -0.3419
2285 G A -0.1252
2286 A A 0.4888
2287 L A 1.3453
2288 P A 0.3545
2289 A A -0.4812
2290 Q A -1.0042
2291 P A -0.1118
2292 L A 1.3613
2293 P A 1.2194
2294 L A 2.0262
2295 S A 1.4018
2296 V A 1.8207
2297 P A 0.4228
2298 S A 0.2548
2299 S A 0.5029
2300 L A 1.1511
2301 A A 0.1139
2302 Q A -1.0647
2303 A A -1.1923
2304 Q A -1.7068
2305 T A -0.8855
2306 Q A -0.7137
2307 L A 0.5850
2308 G A -0.3816
2309 P A -0.8336
2310 Q A -1.9875
2311 P A -1.5185
2312 E A -1.3968
2313 V A 0.7406
2314 T A -0.0155
2315 P A -1.2558
2316 K A -2.8548
2317 R A -2.8816
2318 Q A -1.1606
2319 V A 1.2497
2320 L A 2.1588
2321 A A 1.1996
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 -0.0918 6.5387 View CSV PDB
4.5 -0.1764 6.5387 View CSV PDB
5.0 -0.2781 6.5387 View CSV PDB
5.5 -0.3833 6.5387 View CSV PDB
6.0 -0.4801 6.5387 View CSV PDB
6.5 -0.5606 6.5387 View CSV PDB
7.0 -0.6239 6.5387 View CSV PDB
7.5 -0.675 6.5387 View CSV PDB
8.0 -0.7174 6.5387 View CSV PDB
8.5 -0.7495 6.5387 View CSV PDB
9.0 -0.7678 6.5387 View CSV PDB