Project name: C542R

Status: done

Started: 2026-05-07 02:40:22
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLRDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:31)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:31)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:31:58)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/cef94f947c8bb56/tmp/folded.pdb                (00:31:58)
[INFO]       Main:     Simulation completed successfully.                                          (01:10:02)
Show buried residues

Minimal score value
-4.8466
Maximal score value
5.7219
Average score
-0.7675
Total score value
-1781.2972

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 0.7213
2 G A -0.1647
3 P A -0.6606
4 G A -1.0183
5 A A -1.3070
6 R A -2.8089
7 G A -2.7128
8 R A -4.1432
9 R A -4.7122
10 R A -4.8466
11 R A -4.8013
12 R A -4.3016
13 R A -3.3169
14 P A -1.3574
15 M A -0.0406
16 S A -0.2195
17 P A -0.3564
18 P A -0.5016
19 P A -0.6904
20 P A -0.6906
21 P A -0.3927
22 P A -0.3449
23 P A -0.0978
24 V A 0.8779
25 R A -0.6426
26 A A 0.5146
27 L A 1.8243
28 P A 1.7049
29 L A 3.3225
30 L A 3.8744
31 L A 3.9306
32 L A 3.6993
33 L A 2.7941
34 A A 1.1685
35 G A -0.0124
36 P A -0.4379
37 G A -0.6663
38 A A -0.2848
39 A A -0.3446
40 A A -0.0904
41 P A -0.6530
42 P A -0.9547
43 C A -0.6650
44 L A 0.4942
45 D A -1.3255
46 G A -0.9786
47 S A -1.1670
48 P A -1.3556
49 C A 0.0000
50 A A -1.6557
51 N A -1.8111
52 G A -1.3970
53 G A 0.0000
54 R A -1.7581
55 C A 0.0000
56 T A -0.7085
57 Q A -1.5911
58 L A -0.8698
59 P A -1.0926
60 S A -1.6423
61 R A -2.8586
62 E A -2.7690
63 A A -1.9325
64 A A -1.3127
65 C A -1.0672
66 L A 0.4510
67 C A -0.3278
68 P A -0.2130
69 P A -0.4896
70 G A -1.0402
71 W A -1.2168
72 V A -1.0087
73 G A -1.2800
74 E A -2.4253
75 R A -2.9438
76 C A 0.0000
77 Q A -2.0688
78 L A -1.6508
79 E A -2.3302
80 D A -1.6311
81 P A -1.3899
82 C A -0.9941
83 H A -1.6211
84 S A -1.1502
85 G A -0.9262
86 P A -0.6675
87 C A -0.8732
88 A A -0.5710
89 G A -0.9264
90 R A -1.3029
91 G A -1.1852
92 V A 0.2404
93 C A -0.3340
94 Q A -0.7394
95 S A -0.5058
96 S A -0.0738
97 V A 0.6614
98 V A 1.5312
99 A A 0.6129
100 G A -0.2103
101 T A -0.1259
102 A A 0.0000
103 R A -1.3303
104 F A -0.8543
105 S A -0.9009
106 C A -1.0508
107 R A -1.8395
108 C A -1.1921
109 P A -1.3225
110 R A -1.8942
111 G A -0.5630
112 F A -0.4763
113 R A -0.7091
114 G A -0.6013
115 P A -0.8818
116 D A -1.0501
117 C A 0.0000
118 S A -0.2478
119 L A 0.6850
120 P A -0.0899
121 D A -0.3294
122 P A -0.0951
123 C A 0.0141
124 L A 0.1450
125 S A -0.0025
126 S A -0.2977
127 P A -0.4669
128 C A -1.1451
129 A A -1.4795
130 H A -1.6811
131 G A -1.2693
132 A A -1.5654
133 R A -1.8710
134 C A -0.5738
135 S A -0.2271
136 V A -0.0343
137 G A 0.0000
138 P A -1.2430
139 D A -2.2884
140 G A -1.4988
141 R A -2.0085
142 F A -0.6749
143 L A -0.2195
144 C A -0.8338
145 S A -0.9627
146 C A -1.2900
147 P A -0.8109
148 P A -0.5137
149 G A -0.8978
150 Y A -1.7081
151 Q A -2.3495
152 G A -2.3940
153 R A -2.3054
154 S A -1.8830
155 C A 0.0000
156 R A -2.9036
157 S A -2.2543
158 D A -1.9361
159 V A -1.1396
160 D A -1.0818
161 E A -1.7126
162 C A -1.5541
163 R A -1.8289
164 V A 0.0132
165 G A -1.1564
166 E A -2.3946
167 P A -1.6048
168 C A 0.0000
169 R A -2.8579
170 H A -2.1520
171 G A -1.6733
172 G A 0.0000
173 T A -1.2684
174 C A -1.4943
175 L A -0.6382
176 N A -1.2229
177 T A -0.8393
178 P A -0.9939
179 G A -1.1314
180 S A -0.8851
181 F A -0.9792
182 R A -1.9045
183 C A -1.6056
184 Q A -1.5085
185 C A -1.1964
186 P A -0.5658
187 A A 0.2138
188 G A 0.1797
189 Y A -0.3906
190 T A -0.6166
191 G A -0.8810
192 P A -1.0684
193 L A -1.3426
194 C A 0.0000
195 E A -1.8613
196 N A -1.4920
197 P A -0.4455
198 A A 0.4300
199 V A 1.0897
200 P A 0.0011
201 C A -0.1956
202 A A 0.2641
203 P A 0.0329
204 S A -0.6669
205 P A -1.1765
206 C A 0.0000
207 R A -2.7344
208 N A -2.1009
209 G A -1.1488
210 G A -1.5751
211 T A -1.1580
212 C A -1.8033
213 R A -2.9263
214 Q A -2.4076
215 S A -1.7669
216 G A -1.2559
217 D A -1.1254
218 L A 0.7295
219 T A -0.5265
220 Y A -1.6380
221 D A -2.7738
222 C A -2.2795
223 A A -0.8854
224 C A -0.8619
225 L A 0.0535
226 P A -0.0708
227 G A -0.5692
228 F A -1.3797
229 E A -2.3094
230 G A -2.1037
231 Q A -2.4582
232 N A -2.4348
233 C A 0.0000
234 E A -2.8320
235 V A -1.3429
236 N A -1.4917
237 V A -1.0812
238 D A -2.0008
239 D A -1.9903
240 C A -1.6317
241 P A -1.3724
242 G A -1.3687
243 H A -1.6320
244 R A -2.1068
245 C A 0.0000
246 L A 0.0152
247 N A -0.9139
248 G A -0.6497
249 G A -0.9061
250 T A -0.6130
251 C A -0.8237
252 V A -0.2982
253 D A -0.9558
254 G A -0.4060
255 V A 0.4772
256 N A -0.9490
257 T A -0.7420
258 Y A -1.2287
259 N A -1.7752
260 C A -1.3002
261 Q A -1.3965
262 C A -1.1889
263 P A -0.7126
264 P A -0.9454
265 E A -1.5082
266 W A -1.3321
267 T A -1.6168
268 G A -1.5140
269 Q A -1.9312
270 F A -1.3613
271 C A 0.0000
272 T A -1.2248
273 E A -2.1603
274 D A -1.5140
275 V A -1.3906
276 D A -1.9204
277 E A -1.4035
278 C A -1.0530
279 Q A -1.4050
280 L A -0.3687
281 Q A -1.6060
282 P A -1.4946
283 N A -2.1517
284 A A -1.3303
285 C A 0.0000
286 H A -2.1081
287 N A -1.6401
288 G A -0.9315
289 G A -0.1348
290 T A 0.7321
291 C A 0.4008
292 F A 1.5298
293 N A -0.2092
294 T A 0.2951
295 L A 0.5978
296 G A -0.5730
297 G A -0.3741
298 H A -0.4675
299 S A 0.2069
300 C A 0.7130
301 V A 1.9736
302 C A 0.4300
303 V A 0.6859
304 N A -0.3552
305 G A 0.0000
306 W A -0.5476
307 T A -0.9069
308 G A -1.3386
309 E A -2.0476
310 S A -1.5519
311 C A 0.0000
312 S A -1.6725
313 Q A -1.8874
314 N A -1.4625
315 I A -0.9894
316 D A -2.1388
317 D A -1.1431
318 C A -0.4802
319 A A -0.3067
320 T A 0.0130
321 A A 0.8640
322 V A 2.0111
323 C A 1.7349
324 F A 1.1383
325 H A -0.5507
326 G A -0.3951
327 A A 0.2841
328 T A 0.2777
329 C A 0.4903
330 H A -0.8027
331 D A -1.3876
332 R A -1.6037
333 V A -0.3919
334 A A -0.4800
335 S A -0.5614
336 F A 0.2603
337 Y A 1.1792
338 C A 0.0000
339 A A 0.6401
340 C A 0.5954
341 P A 0.1806
342 M A 0.8592
343 G A 0.0432
344 K A -0.9141
345 T A -0.6517
346 G A 0.3767
347 L A 2.2245
348 L A 1.7544
349 C A 0.0000
350 H A -0.1600
351 L A -1.0987
352 D A -2.2347
353 D A -1.3939
354 A A -1.1989
355 C A -0.3201
356 V A 0.8414
357 S A -0.0064
358 N A -0.9391
359 P A -1.0030
360 C A -1.3225
361 H A -2.2187
362 E A -2.8951
363 D A -2.2181
364 A A -0.8770
365 I A 0.9652
366 C A -0.1645
367 D A -1.1575
368 T A 0.0000
369 N A -1.1021
370 P A -0.2884
371 V A 0.8321
372 N A -1.3389
373 G A -1.9633
374 R A -2.4464
375 A A 0.0000
376 I A -0.0327
377 C A -0.2310
378 T A 0.3481
379 C A -0.3091
380 P A -0.3563
381 P A -0.4530
382 G A -0.7614
383 F A -1.4603
384 T A -1.2350
385 G A -1.3900
386 G A -0.9535
387 A A -1.2899
388 C A 0.0000
389 D A -2.8213
390 Q A -2.6093
391 D A -2.0380
392 V A -0.9384
393 D A -1.0004
394 E A -0.2094
395 C A -0.1049
396 S A 0.1438
397 I A 1.2658
398 G A 0.1661
399 A A -0.4720
400 N A -1.4301
401 P A -0.9539
402 C A 0.0000
403 E A -2.5813
404 H A -1.3288
405 L A -0.2101
406 G A 0.0000
407 R A -2.0902
408 C A 0.0000
409 V A 0.0922
410 N A -0.4960
411 T A -0.4743
412 Q A -1.6662
413 G A -1.2934
414 S A -0.2621
415 F A 0.2520
416 L A 0.9088
417 C A -1.0242
418 Q A -1.5527
419 C A -1.7041
420 G A -1.2832
421 R A -1.7557
422 G A -1.1976
423 Y A -1.2587
424 T A -1.5315
425 G A -1.5547
426 P A -1.2779
427 R A -2.7023
428 C A 0.0000
429 E A -2.7848
430 T A -1.8020
431 D A -1.6897
432 V A -0.7437
433 N A -0.7104
434 E A -0.8826
435 C A -0.1202
436 L A 0.9639
437 S A 0.0886
438 G A -0.4798
439 P A -0.4064
440 C A -0.8062
441 R A -2.2165
442 N A -2.1511
443 Q A -1.7328
444 A A -0.4343
445 T A 0.2936
446 C A 0.4596
447 L A 0.2898
448 D A -0.9008
449 R A -1.4880
450 I A -0.0954
451 G A 0.0000
452 Q A -1.5478
453 F A -0.5256
454 T A 0.1887
455 C A 0.8845
456 I A 1.9166
457 C A 0.8523
458 M A 0.3006
459 A A 0.3895
460 G A -0.7072
461 F A -0.2839
462 T A -0.0502
463 G A -0.0204
464 T A 0.2304
465 Y A 0.1778
466 C A 0.0000
467 E A -1.0352
468 V A -0.3165
469 D A -1.8742
470 I A -1.5765
471 D A -3.4091
472 E A -3.1950
473 C A -2.3116
474 Q A -2.3260
475 S A -1.3919
476 S A -0.5536
477 P A -0.1715
478 C A 0.3022
479 V A 0.5684
480 N A -0.7035
481 G A -0.2325
482 G A 0.3828
483 V A 1.2469
484 C A -0.4014
485 K A -2.3518
486 D A -3.7155
487 R A -2.9603
488 V A -0.6188
489 N A -1.5615
490 G A -1.5725
491 F A -1.6792
492 S A -0.8067
493 C A 0.2059
494 T A 0.3112
495 C A 0.3505
496 P A -0.3376
497 S A -0.8808
498 G A -1.7448
499 F A -0.9259
500 S A -0.3615
501 G A -0.4883
502 S A -0.2398
503 T A 0.0512
504 C A 0.0000
505 Q A -0.9484
506 L A -0.2764
507 D A -2.2841
508 V A -1.5014
509 D A -2.6138
510 E A -2.6740
511 C A -1.4746
512 A A -0.9322
513 S A -0.7944
514 T A -1.0787
515 P A -0.9548
516 C A 0.0000
517 R A -3.5192
518 N A -2.9624
519 G A -2.5254
520 A A 0.0000
521 K A -2.7633
522 C A 0.0000
523 V A -1.3995
524 D A -2.1670
525 Q A -2.2295
526 P A -2.2893
527 D A -2.7545
528 G A -1.8562
529 Y A -1.5355
530 E A -1.8324
531 C A 0.0000
532 R A -2.5760
533 C A -1.6421
534 A A -2.0897
535 E A -1.6634
536 G A 0.0000
537 F A 0.0000
538 E A -2.4479
539 G A -1.7273
540 T A -1.5567
541 L A -2.1887
542 R A -3.5414
543 D A -3.9031
544 R A -3.6310
545 N A -1.9890
546 V A -1.0096
547 D A -1.8629
548 D A -1.4005
549 C A -1.6012
550 S A -1.6051
551 P A -1.5975
552 D A -2.6586
553 P A -1.7832
554 C A -2.0857
555 H A -2.5896
556 H A -2.0891
557 G A -1.8260
558 R A -2.1326
559 C A 0.0000
560 V A 0.3400
561 D A -0.5588
562 G A 0.5570
563 I A 1.1063
564 A A 0.0393
565 S A 0.1880
566 F A 0.0234
567 S A -0.1498
568 C A -0.8522
569 A A -0.3634
570 C A -1.0339
571 A A -0.8860
572 P A -0.7082
573 G A -1.0805
574 Y A -1.2396
575 T A -1.1456
576 G A -1.3545
577 T A -1.0999
578 R A -2.4715
579 C A 0.0000
580 E A -2.7540
581 S A -1.9521
582 Q A -1.8310
583 V A -1.8570
584 D A -3.1468
585 E A -2.7792
586 C A -2.5569
587 R A -3.2182
588 S A -2.0481
589 Q A -2.7248
590 P A -1.5406
591 C A 0.0000
592 R A -2.4721
593 H A -1.4983
594 G A -1.9364
595 G A 0.0000
596 K A -2.5857
597 C A -1.5456
598 L A -0.7356
599 D A -1.9401
600 L A -0.3617
601 V A -0.1849
602 D A -2.2182
603 K A -1.8886
604 Y A -0.5041
605 L A 0.6202
606 C A -0.7684
607 R A -1.9148
608 C A -1.1517
609 P A -1.1159
610 S A -0.4072
611 G A -0.0297
612 T A -0.1737
613 T A 0.2530
614 G A 0.2937
615 V A 1.3999
616 N A -0.4292
617 C A 0.0000
618 E A -0.4183
619 V A 0.7493
620 N A -0.0614
621 I A 0.4929
622 D A -1.9268
623 D A -2.5370
624 C A 0.0000
625 A A -1.0182
626 S A -1.2139
627 N A -1.4898
628 P A -0.4260
629 C A 0.1071
630 T A 0.3566
631 F A 1.0034
632 G A 0.7260
633 V A 1.3646
634 C A -0.2792
635 R A -2.3855
636 D A -2.5470
637 G A -1.9975
638 I A -0.9936
639 N A -2.0498
640 R A -2.9402
641 Y A -2.1617
642 D A -1.9662
643 C A -0.0701
644 V A 0.9725
645 C A 0.5827
646 Q A -0.8881
647 P A -1.2997
648 G A -1.7982
649 F A -0.6139
650 T A 0.2162
651 G A 0.2286
652 P A -0.1169
653 L A 0.5967
654 C A 0.0000
655 N A -0.3922
656 V A 0.6012
657 E A -1.6221
658 I A -1.1356
659 N A -1.9815
660 E A -2.1922
661 C A -0.9035
662 A A -0.6245
663 S A -0.6484
664 S A -0.5258
665 P A -0.4533
666 C A -0.2165
667 G A -0.7305
668 E A -2.0322
669 G A -1.2422
670 G A -0.5146
671 S A -0.2656
672 C A 0.0509
673 V A -0.1165
674 D A -1.7091
675 G A -2.1155
676 E A -3.2139
677 N A -2.8815
678 G A -1.8371
679 F A -1.1286
680 R A -1.1439
681 C A 0.1201
682 L A 1.0344
683 C A 0.1921
684 P A -0.3076
685 P A -0.3370
686 G A -0.5138
687 S A -0.2764
688 L A 0.2005
689 P A 0.1171
690 P A 0.0127
691 L A 0.4192
692 C A 0.0000
693 L A -0.0595
694 P A -0.4626
695 P A -0.4322
696 S A -0.4363
697 H A -0.5354
698 P A -0.9689
699 C A 0.0000
700 A A -1.0201
701 H A -1.8941
702 E A -2.0687
703 P A -1.6083
704 C A 0.0000
705 S A -1.2271
706 H A -1.0013
707 G A 0.0918
708 I A 1.6690
709 C A 0.4264
710 Y A 0.4298
711 D A -1.2309
712 A A -0.9600
713 P A -0.8917
714 G A -0.9060
715 G A -0.7316
716 F A -0.9145
717 R A -1.1612
718 C A -0.2176
719 V A 1.4360
720 C A -0.3330
721 E A -1.2471
722 P A -0.9492
723 G A -0.7801
724 W A -0.7812
725 S A -0.8618
726 G A -1.0306
727 P A -1.4935
728 R A -2.2580
729 C A 0.0000
730 S A -1.4871
731 Q A -1.5798
732 S A -0.9004
733 L A -0.3908
734 A A -1.2113
735 R A -2.7259
736 D A -3.2633
737 A A -2.2326
738 C A -2.2730
739 E A -2.9767
740 S A -1.7860
741 Q A -2.1862
742 P A -1.6542
743 C A -2.1554
744 R A -3.0176
745 A A -1.3311
746 G A -1.1714
747 G A -1.6299
748 T A -0.6774
749 C A -1.0512
750 S A -1.0283
751 S A -1.7091
752 D A -1.9581
753 G A -1.4277
754 M A -0.1023
755 G A -0.4936
756 F A -0.8624
757 H A -1.0230
758 C A -1.2936
759 T A -0.6309
760 C A -1.1591
761 P A -0.3516
762 P A -0.1860
763 G A 0.0188
764 V A -0.2238
765 Q A -1.2610
766 G A -1.9021
767 R A -2.8693
768 Q A -2.8456
769 C A 0.0000
770 E A -2.4121
771 L A -0.4227
772 L A 1.1829
773 S A -0.0662
774 P A 0.0220
775 C A -0.4934
776 T A -0.4353
777 P A -0.9276
778 N A -2.3754
779 P A -1.4987
780 C A 0.0000
781 E A -3.0844
782 H A -2.2702
783 G A -2.1747
784 G A 0.0000
785 R A -2.6736
786 C A -1.8129
787 E A -1.4887
788 S A -0.6100
789 A A -0.5578
790 P A -0.6928
791 G A -0.7862
792 Q A -0.6947
793 L A 1.0325
794 P A 0.1617
795 V A 0.9238
796 C A -0.9062
797 S A -1.0948
798 C A -1.4960
799 P A -1.4845
800 Q A -1.4272
801 G A -1.1497
802 W A -1.8697
803 Q A -2.1800
804 G A -1.8387
805 P A -1.2872
806 R A -2.7542
807 C A 0.0000
808 Q A -2.7189
809 Q A -2.5844
810 D A -1.6151
811 V A -1.2478
812 D A -1.5511
813 E A -1.1533
814 C A -0.2581
815 A A -0.5984
816 G A -0.6980
817 P A -0.4405
818 A A -0.0280
819 P A -0.2032
820 C A 0.0000
821 G A -0.5351
822 P A -0.6029
823 H A -1.1041
824 G A -0.0247
825 I A 1.5958
826 C A 0.9788
827 T A 0.2878
828 N A -0.1936
829 L A 0.2677
830 A A -0.1697
831 G A -0.9172
832 S A -0.7041
833 F A -0.3187
834 S A 0.0183
835 C A 0.3958
836 T A 0.3186
837 C A -0.5395
838 H A -1.0056
839 G A -0.7695
840 G A -0.5296
841 Y A -1.0864
842 T A -1.2494
843 G A -1.0812
844 P A -1.2515
845 S A -0.9186
846 C A 0.0000
847 D A -2.6372
848 Q A -2.3721
849 D A -1.6055
850 I A -0.8717
851 N A -2.2562
852 D A -2.0457
853 C A -2.1965
854 D A -2.6402
855 P A -1.9756
856 N A -1.7877
857 P A -1.0083
858 C A 0.0000
859 L A -0.3108
860 N A -0.3500
861 G A 0.1293
862 G A 0.0000
863 S A -0.6219
864 C A -1.3940
865 Q A -2.0108
866 D A -2.1037
867 G A -0.5400
868 V A 0.8702
869 G A -0.3386
870 S A -0.3963
871 F A -0.8079
872 S A -1.0002
873 C A -0.7678
874 S A -0.4064
875 C A 0.0152
876 L A 0.8279
877 P A 0.2536
878 G A -0.2844
879 F A -0.5165
880 A A -0.8374
881 G A -1.2735
882 P A -1.1596
883 R A -1.6694
884 C A 0.0000
885 A A -1.3799
886 R A -2.3570
887 D A -1.8658
888 V A -0.6652
889 D A -1.1138
890 E A -1.0437
891 C A -0.5950
892 L A 0.5123
893 S A -0.4394
894 N A -1.2532
895 P A -0.9099
896 C A 0.0000
897 G A -1.4167
898 P A -0.9479
899 G A -0.7142
900 T A -0.5784
901 C A -0.6521
902 T A -1.1249
903 D A -1.8295
904 H A -1.1065
905 V A -0.5065
906 A A -0.3755
907 S A -0.5531
908 F A -0.8120
909 T A -0.2048
910 C A -0.1415
911 T A 0.1811
912 C A -0.2371
913 P A -0.1447
914 P A -0.4299
915 G A 0.0000
916 Y A -1.0396
917 G A -0.9359
918 G A -0.9153
919 F A -0.0660
920 H A -1.2809
921 C A 0.0000
922 E A -2.8576
923 Q A -2.5764
924 D A -2.5261
925 L A -0.9649
926 P A -0.7207
927 D A -0.6382
928 C A -0.2191
929 S A 0.0000
930 P A -0.1766
931 S A 0.1352
932 S A 0.0000
933 C A 0.0000
934 F A -0.4894
935 N A -1.4364
936 G A -0.7717
937 G A -0.2552
938 T A 0.2203
939 C A 0.7270
940 V A 0.7900
941 D A -0.7754
942 G A -0.4493
943 V A -0.1808
944 N A -1.1182
945 S A -0.4081
946 F A 0.2609
947 S A 0.4877
948 C A 0.7968
949 L A 1.4257
950 C A -0.4221
951 R A -1.8843
952 P A -1.2188
953 G A -1.6312
954 Y A -1.5381
955 T A -1.0400
956 G A -0.3578
957 A A 0.1213
958 H A 0.0508
959 C A 0.0000
960 Q A -1.0085
961 H A -1.4679
962 E A -2.6584
963 A A -1.5157
964 D A -1.2672
965 P A -0.9608
966 C A 0.0000
967 L A 0.6029
968 S A -0.4937
969 R A -1.1414
970 P A -0.6750
971 C A -0.5260
972 L A 0.0346
973 H A -0.2445
974 G A -0.0622
975 G A 0.1869
976 V A 1.2925
977 C A 0.2159
978 S A -0.5100
979 A A -0.8966
980 A A -1.0199
981 H A -1.3235
982 P A -1.0315
983 G A -0.9470
984 F A -0.8569
985 R A -1.5454
986 C A -0.3862
987 T A 0.0492
988 C A 0.2800
989 L A 0.6007
990 E A -1.0637
991 S A -0.6138
992 F A -0.1344
993 T A -0.3189
994 G A -0.5357
995 P A -0.8883
996 Q A -0.9978
997 C A 0.0000
998 Q A -0.7476
999 T A -0.2922
1000 L A 0.1126
1001 V A -0.3503
1002 D A -1.7969
1003 W A -1.4286
1004 C A -1.6311
1005 S A -1.9478
1006 R A -2.7657
1007 Q A -2.7517
1008 P A -1.7723
1009 C A -1.8016
1010 Q A -2.3204
1011 N A -1.8684
1012 G A -1.5509
1013 G A -1.5483
1014 R A -1.7594
1015 C A -1.1217
1016 V A -0.1440
1017 Q A -0.5434
1018 T A -0.3898
1019 G A -0.5053
1020 A A -0.5065
1021 Y A 0.0993
1022 C A 0.0000
1023 L A 0.2944
1024 C A -0.6570
1025 P A -0.5390
1026 P A -0.4913
1027 G A -0.8713
1028 W A -1.1822
1029 S A -1.1330
1030 G A -1.0419
1031 R A -1.3248
1032 L A -1.2081
1033 C A 0.0000
1034 D A -1.9403
1035 I A 0.0000
1036 R A -2.0370
1037 S A -1.6450
1038 L A -1.7131
1039 P A -2.0381
1040 C A 0.0000
1041 R A -2.8258
1042 E A -2.0982
1043 A A 0.0000
1044 A A 0.0000
1045 A A -1.0671
1046 Q A -0.8299
1047 I A 0.9714
1048 G A -0.1264
1049 V A -0.6868
1050 R A -2.1571
1051 L A -1.8592
1052 E A -3.0478
1053 Q A -2.7518
1054 L A 0.0000
1055 C A 0.0000
1056 Q A -2.2903
1057 A A -1.7618
1058 G A -1.3902
1059 G A 0.0000
1060 Q A -1.1809
1061 C A -0.8433
1062 V A -0.6243
1063 D A -2.5111
1064 E A -3.0504
1065 D A -3.0076
1066 S A -1.9717
1067 S A -1.8519
1068 H A 0.0000
1069 Y A 0.1310
1070 C A 0.4537
1071 V A 0.9299
1072 C A -0.7037
1073 P A -1.2855
1074 E A -2.0692
1075 G A -1.8461
1076 R A -2.3158
1077 T A -1.5604
1078 G A -1.3704
1079 S A -0.8441
1080 H A -1.0810
1081 C A 0.0000
1082 E A -2.4850
1083 Q A -2.7330
1084 E A -2.9739
1085 V A -1.6056
1086 D A -1.2994
1087 P A -0.7276
1088 C A 0.0000
1089 L A 0.8652
1090 A A 0.0956
1091 Q A -1.1859
1092 P A -0.9312
1093 C A -1.9904
1094 Q A -2.4915
1095 H A -1.8770
1096 G A -1.2488
1097 G A -1.6480
1098 T A -1.3472
1099 C A -1.2946
1100 R A -1.9927
1101 G A -0.3260
1102 Y A 0.6571
1103 M A 0.8028
1104 G A -0.3743
1105 G A -0.0978
1106 Y A -0.3558
1107 M A -0.4550
1108 C A -1.7582
1109 E A -2.1970
1110 C A -1.6432
1111 L A 0.0316
1112 P A -0.1853
1113 G A -0.9137
1114 Y A -2.1645
1115 N A -3.1732
1116 G A -3.1095
1117 D A -2.9259
1118 N A -2.7798
1119 C A 0.0000
1120 E A -3.7691
1121 D A -4.2350
1122 D A -3.2746
1123 V A -1.9514
1124 D A -2.8266
1125 E A -2.3734
1126 C A -1.8649
1127 A A -1.2960
1128 S A -1.1860
1129 Q A -1.7049
1130 P A -0.7359
1131 C A 0.0000
1132 Q A -1.2387
1133 H A -0.7056
1134 G A -1.0236
1135 G A -0.6912
1136 S A -0.7097
1137 C A -0.7090
1138 I A 0.0000
1139 D A -2.2430
1140 L A -0.8692
1141 V A 0.3601
1142 A A -0.5940
1143 R A -1.7511
1144 Y A -1.0505
1145 L A -0.0126
1146 C A 0.0000
1147 S A 0.0000
1148 C A 0.0000
1149 P A -0.3973
1150 P A -0.3023
1151 G A -0.7571
1152 T A 0.0000
1153 L A 0.5714
1154 G A 1.0872
1155 V A 1.9738
1156 L A 0.7689
1157 C A 0.0000
1158 E A -0.2726
1159 I A 0.8177
1160 N A -0.8083
1161 E A -2.0234
1162 D A -2.4575
1163 D A -1.8118
1164 C A -1.2298
1165 G A -1.2142
1166 P A -1.0059
1167 G A -0.7839
1168 P A -0.2602
1169 P A -0.0249
1170 L A 0.8857
1171 D A -0.4507
1172 S A -0.5114
1173 G A -0.6302
1174 P A -0.9081
1175 R A -0.6261
1176 C A 0.0000
1177 L A -0.4460
1178 H A -1.3300
1179 N A -1.5606
1180 G A -0.8955
1181 T A -0.6963
1182 C A -0.5249
1183 V A -0.6159
1184 D A -1.1954
1185 L A -0.1685
1186 V A 0.6327
1187 G A -0.4552
1188 G A -0.6610
1189 F A -0.6076
1190 R A -1.3660
1191 C A 0.0000
1192 T A -0.3545
1193 C A -0.3660
1194 P A -0.5658
1195 P A -0.3785
1196 G A -0.4995
1197 Y A -0.3254
1198 T A 0.1919
1199 G A 0.4850
1200 L A 1.0508
1201 R A -0.0268
1202 C A 0.0000
1203 E A 0.0982
1204 A A 0.0000
1205 D A -0.6993
1206 I A -0.3826
1207 N A -0.8951
1208 E A -1.1034
1209 C A -1.1308
1210 R A -1.7272
1211 S A -1.2588
1212 G A -1.1300
1213 A A 0.0000
1214 C A -1.1530
1215 H A -1.0248
1216 A A -0.5379
1217 A A -0.4659
1218 H A -0.3494
1219 T A -0.6515
1220 R A -0.5332
1221 D A 0.0000
1222 C A -0.6137
1223 L A -0.5164
1224 Q A -0.9443
1225 D A -1.0841
1226 P A -0.7271
1227 G A -0.9752
1228 G A -0.6196
1229 G A -0.9767
1230 F A -1.2375
1231 R A -1.7554
1232 C A -0.9319
1233 L A -0.1483
1234 C A -0.1868
1235 H A -0.0984
1236 A A 0.2961
1237 G A 0.0000
1238 F A 0.8333
1239 S A 0.3093
1240 G A -0.3776
1241 P A -0.9793
1242 R A -1.1824
1243 C A 0.0000
1244 Q A -0.6206
1245 T A 0.4330
1246 V A 1.9636
1247 L A 1.1874
1248 S A -0.0622
1249 P A 0.0000
1250 C A -1.6266
1251 E A -2.1647
1252 S A -1.5779
1253 Q A -2.5246
1254 P A -1.6474
1255 C A 0.0000
1256 Q A -2.1721
1257 H A -1.2175
1258 G A -1.4654
1259 G A -2.0343
1260 Q A -2.4345
1261 C A 0.0000
1262 R A -2.2863
1263 P A -0.9253
1264 S A -0.4876
1265 P A -0.5409
1266 G A -0.4160
1267 P A -0.7087
1268 G A -0.9641
1269 G A -0.8770
1270 G A 0.0000
1271 L A 0.4546
1272 T A -0.0707
1273 F A -0.5656
1274 T A -1.0229
1275 C A -1.7341
1276 H A -1.7955
1277 C A -1.3537
1278 A A -0.6151
1279 Q A -0.5005
1280 P A -0.7796
1281 F A 0.0000
1282 W A -1.1748
1283 G A -1.2515
1284 P A -1.0838
1285 R A -2.0177
1286 C A 0.0000
1287 E A -1.6213
1288 R A -1.9727
1289 V A -1.1245
1290 A A 0.0000
1291 R A -2.7213
1292 S A -2.0814
1293 C A -2.0832
1294 R A -2.6232
1295 E A -2.2630
1296 L A 0.0000
1297 Q A -1.3974
1298 C A -0.5076
1299 P A 0.3091
1300 V A 1.4363
1301 G A 0.5584
1302 V A 0.2270
1303 P A -0.1201
1304 C A -0.9946
1305 Q A -1.2099
1306 Q A -2.0605
1307 T A -1.6528
1308 P A -1.4881
1309 R A -1.8451
1310 G A -1.5703
1311 P A 0.0000
1312 R A -1.6171
1313 C A 0.0000
1314 A A -0.3949
1315 C A -0.3461
1316 P A -0.1206
1317 P A -0.0863
1318 G A -0.0284
1319 L A 0.4278
1320 S A -0.0839
1321 G A -0.5323
1322 P A -0.7113
1323 S A -0.9771
1324 C A 0.0000
1325 R A -1.4320
1326 S A -0.1674
1327 F A 1.2470
1328 P A 0.1026
1329 G A -0.1369
1330 S A -0.2534
1331 P A -0.7594
1332 P A -0.8931
1333 G A -0.9959
1334 A A -0.9036
1335 S A -1.1699
1336 N A -1.6663
1337 A A -0.6547
1338 S A -0.6229
1339 C A -0.7426
1340 A A -0.2796
1341 A A -0.3145
1342 A A 0.0407
1343 P A 0.0000
1344 C A -0.5393
1345 L A -0.0652
1346 H A -0.9414
1347 G A -0.6685
1348 G A -0.7786
1349 S A -0.7698
1350 C A -1.1514
1351 R A -2.2800
1352 P A -1.2278
1353 A A 0.0000
1354 P A -0.1630
1355 L A 0.5495
1356 A A -0.2215
1357 P A -0.2042
1358 F A -0.0960
1359 F A 0.0000
1360 R A -1.4986
1361 C A -0.9996
1362 A A -0.7254
1363 C A -0.5131
1364 A A -0.6574
1365 Q A -1.3106
1366 G A -0.7363
1367 W A -0.5244
1368 T A -0.5039
1369 G A -0.6318
1370 P A -0.8457
1371 R A -0.9437
1372 C A 0.0000
1373 E A -0.9063
1374 A A -0.5399
1375 P A -0.5501
1376 A A -0.3368
1377 A A -0.3749
1378 A A -0.2609
1379 P A -0.6376
1380 E A -1.2526
1381 V A 0.1100
1382 S A -0.8131
1383 E A -2.2397
1384 E A -2.6547
1385 P A -2.2809
1386 R A -2.9096
1387 C A -1.9506
1388 P A -1.8606
1389 R A -2.3776
1390 A A -1.2532
1391 A A -1.5340
1392 C A 0.0000
1393 Q A -2.2724
1394 A A -1.8817
1395 K A -3.0155
1396 R A -3.4957
1397 G A -2.8901
1398 D A -3.6231
1399 Q A -3.1951
1400 R A -3.4267
1401 C A -2.3436
1402 D A -2.8967
1403 R A -3.2857
1404 E A -3.0200
1405 C A 0.0000
1406 N A -1.6573
1407 S A -1.3473
1408 P A -1.4235
1409 G A -1.6764
1410 C A -1.6548
1411 G A -0.8665
1412 W A 0.0000
1413 D A 0.0000
1414 G A -1.9312
1415 G A 0.0000
1416 D A -2.3170
1417 C A 0.0000
1418 S A 0.0000
1419 L A 0.0000
1420 S A -0.8664
1421 V A 0.0000
1422 G A -0.8203
1423 D A -1.4265
1424 P A 0.0000
1425 W A 0.0000
1426 R A -2.8725
1427 Q A -2.5916
1428 C A -1.6971
1429 E A -2.0188
1430 A A -0.3066
1431 L A 0.5691
1432 Q A -0.5136
1433 C A 0.0000
1434 W A -0.6058
1435 R A -1.6298
1436 L A -0.9502
1437 F A 0.0000
1438 N A -1.8406
1439 N A -1.3986
1440 S A -1.5974
1441 R A -2.1912
1442 C A -0.9401
1443 D A -0.6834
1444 P A -0.4974
1445 A A -0.1212
1446 C A 0.0000
1447 S A -0.4538
1448 S A -0.7293
1449 P A -0.8107
1450 A A -1.1334
1451 C A 0.0000
1452 L A 0.0000
1453 Y A 0.0000
1454 D A 0.0000
1455 N A -0.7558
1456 F A 0.0000
1457 D A -1.5502
1458 C A -0.6469
1459 H A -0.7976
1460 A A -0.9479
1461 G A -1.8083
1462 G A -2.3483
1463 R A -3.6541
1464 E A -3.8331
1465 R A -3.5982
1466 T A -2.1881
1467 C A 0.0000
1468 N A -1.1770
1469 P A -0.2479
1470 V A 0.9689
1471 Y A 0.0000
1472 E A -1.4534
1473 K A -2.2027
1474 Y A -1.1479
1475 C A 0.0000
1476 A A 0.0000
1477 D A -2.5927
1478 H A -2.0614
1479 F A 0.0000
1480 A A -1.3782
1481 D A -2.1767
1482 G A -1.8597
1483 R A -2.3056
1484 C A -0.9343
1485 D A 0.0000
1486 Q A -0.3450
1487 G A 0.1957
1488 C A 0.0000
1489 N A -0.3492
1490 T A -0.5779
1491 E A -0.7132
1492 E A -1.3672
1493 C A 0.0000
1494 G A 0.0000
1495 W A -0.1075
1496 D A 0.0000
1497 G A 0.0000
1498 L A 0.0000
1499 D A -1.2627
1500 C A -0.6162
1501 A A 0.0000
1502 S A -1.2280
1503 E A -1.8032
1504 V A -0.5319
1505 P A -0.2203
1506 A A 0.4321
1507 L A 1.2380
1508 L A 0.4224
1509 A A 0.0000
1510 R A -2.1645
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 0.6384
1519 L A 0.0590
1520 P A -0.4431
1521 P A -0.9726
1522 E A -2.8451
1523 E A -2.8329
1524 L A 0.0000
1525 L A -1.4901
1526 R A -2.6389
1527 S A -1.7039
1528 S A -1.2160
1529 A A -1.2535
1530 D A -1.4474
1531 F A 0.0000
1532 L A 0.0000
1533 Q A 0.0000
1534 R A -0.9475
1535 L A 0.0000
1536 S A 0.0000
1537 A A -0.4236
1538 I A -0.1414
1539 L A 0.0000
1540 R A -0.4784
1541 T A 0.0000
1542 S A 0.0000
1543 L A 0.0000
1544 R A -0.8418
1545 F A -0.2583
1546 R A -0.2234
1547 L A 0.3133
1548 D A -0.5700
1549 A A -0.6933
1550 H A -1.4157
1551 G A -1.1486
1552 Q A -1.3124
1553 A A -0.1453
1554 M A 0.4748
1555 V A 0.5789
1556 F A 1.1217
1557 P A 0.0521
1558 Y A -0.0597
1559 H A -1.3292
1560 R A -2.4408
1561 P A -1.5345
1562 S A -1.5712
1563 P A -1.1952
1564 G A -1.3263
1565 S A -1.7802
1566 E A -2.7863
1567 P A -2.4444
1568 R A -3.3232
1569 A A -2.8392
1570 R A -3.5428
1571 R A -3.3810
1572 E A -2.4549
1573 L A -0.5479
1574 A A -0.4594
1575 P A -1.2823
1576 E A -1.7637
1577 V A -0.2071
1578 I A -0.1367
1579 G A 0.0000
1580 S A 0.0000
1581 V A 0.6421
1582 V A 0.0000
1583 M A 0.1328
1584 L A 0.0000
1585 E A -0.8189
1586 I A 0.0000
1587 D A 0.0000
1588 N A 0.0000
1589 R A 0.3277
1590 L A -0.1705
1591 C A 0.0000
1592 L A -0.8722
1593 Q A -1.4483
1594 S A -1.5477
1595 P A -1.5862
1596 E A -2.4023
1597 N A -2.7187
1598 D A -2.7712
1599 H A -1.5990
1600 C A 0.0000
1601 F A 0.0000
1602 P A -0.9507
1603 D A -1.6017
1604 A A 0.0000
1605 Q A -1.5402
1606 S A -0.9681
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 -0.9985
1616 A A 0.0000
1617 V A -1.3672
1618 E A -2.7720
1619 R A -2.4487
1620 L A -1.5533
1621 D A -2.2324
1622 F A -0.8721
1623 P A -0.5903
1624 Y A -0.1846
1625 P A 0.0409
1626 L A 0.0529
1627 R A -0.7525
1628 D A -0.6902
1629 V A 0.0000
1630 R A -1.3169
1631 G A -1.4637
1632 E A -1.7241
1633 P A -1.5535
1634 L A -1.0038
1635 E A -2.3215
1636 P A -1.6201
1637 P A -1.7700
1638 E A -2.2843
1639 P A -0.9618
1640 S A 0.0869
1641 V A 1.9233
1642 P A 1.9214
1643 L A 3.4424
1644 L A 3.6376
1645 P A 2.5991
1646 L A 3.4582
1647 L A 3.9733
1648 V A 3.9515
1649 A A 2.8993
1650 G A 2.6914
1651 A A 3.4583
1652 V A 4.7457
1653 L A 4.7087
1654 L A 4.8855
1655 L A 5.4574
1656 V A 5.6235
1657 I A 5.7219
1658 L A 5.5271
1659 V A 4.9902
1660 L A 4.8020
1661 G A 3.4745
1662 V A 3.3755
1663 M A 2.5500
1664 V A 2.1471
1665 A A 0.0849
1666 R A -2.4992
1667 R A -3.8699
1668 K A -4.7167
1669 R A -4.7776
1670 E A -4.0447
1671 H A -2.7159
1672 S A -1.2997
1673 T A -0.1682
1674 L A 0.7761
1675 W A 1.3253
1676 F A 0.6353
1677 P A -0.4089
1678 E A -1.6888
1679 G A -0.9287
1680 F A 0.0290
1681 S A -0.4407
1682 L A -0.3510
1683 H A -1.5936
1684 K A -2.2591
1685 D A -1.9568
1686 V A -0.0113
1687 A A -0.2673
1688 S A -0.9353
1689 G A -1.2577
1690 H A -2.3396
1691 K A -3.3266
1692 G A -3.3308
1693 R A -4.1166
1694 R A -3.8054
1695 E A -2.9945
1696 P A -1.3274
1697 V A 0.1208
1698 G A -0.9821
1699 Q A -1.6730
1700 D A -1.8794
1701 A A -0.6648
1702 L A 0.2867
1703 G A -0.2937
1704 M A 0.0202
1705 K A -1.5514
1706 N A -1.4020
1707 M A -0.1732
1708 A A -1.0673
1709 K A -2.1908
1710 G A -1.9157
1711 E A -2.0492
1712 S A -0.4864
1713 L A 0.9468
1714 M A 1.1329
1715 G A 0.0100
1716 E A -0.8218
1717 V A 0.6319
1718 A A 0.2255
1719 T A -0.7590
1720 D A -1.5816
1721 W A -0.1226
1722 M A -0.2204
1723 D A -1.9950
1724 T A -1.4668
1725 E A -2.2449
1726 C A -1.0620
1727 P A -1.4695
1728 E A -3.0202
1729 A A -1.9797
1730 K A -2.9836
1731 R A -2.7267
1732 L A -0.7435
1733 K A -1.9533
1734 V A -0.4914
1735 E A -2.3694
1736 E A -2.5596
1737 P A -1.6346
1738 G A -1.0221
1739 M A -0.4682
1740 G A -0.9382
1741 A A -1.3511
1742 E A -2.3834
1743 E A -2.1749
1744 A A -0.5887
1745 V A 0.7760
1746 D A -0.3765
1747 C A 0.2779
1748 R A -0.9737
1749 Q A -1.3070
1750 W A -0.2271
1751 T A -0.6426
1752 Q A -0.3004
1753 H A -0.1254
1754 H A 0.0000
1755 L A 0.4580
1756 V A 0.9423
1757 A A 0.0000
1758 A A -0.0983
1759 D A -0.9999
1760 I A -0.3207
1761 R A -1.3774
1762 V A 0.0513
1763 A A -0.0494
1764 P A 0.0175
1765 A A 0.5112
1766 M A 1.0721
1767 A A 0.8946
1768 L A 1.4468
1769 T A 0.4113
1770 P A -0.3987
1771 P A -1.1281
1772 Q A -2.2282
1773 G A -2.2936
1774 D A -3.1331
1775 A A -2.7208
1776 D A -2.9857
1777 A A -2.1304
1778 D A -2.7267
1779 G A -2.0055
1780 M A -0.8234
1781 D A -1.6094
1782 V A 0.0000
1783 N A -0.8983
1784 V A -0.8456
1785 R A -1.4940
1786 G A 0.0000
1787 P A -1.1201
1788 D A -2.6759
1789 G A 0.0000
1790 F A -1.0242
1791 T A 0.0000
1792 P A 0.0000
1793 L A 0.0000
1794 M A 0.0000
1795 L A 0.5211
1796 A A 0.0000
1797 S A 0.0000
1798 F A 0.6201
1799 C A 0.0779
1800 G A -0.2913
1801 G A -0.2869
1802 A A -0.1185
1803 L A 0.5240
1804 E A -0.9542
1805 P A -0.5543
1806 M A 0.2378
1807 P A -1.1018
1808 T A -1.6225
1809 E A -3.3059
1810 E A -4.2871
1811 D A -4.6141
1812 E A -4.1962
1813 A A -2.9292
1814 D A -3.6566
1815 D A -3.2585
1816 T A -1.8274
1817 S A -1.3684
1818 A A 0.0000
1819 S A -1.2408
1820 I A -0.4855
1821 I A 0.0000
1822 S A -0.8488
1823 D A -1.6961
1824 L A 0.0000
1825 I A -0.5097
1826 C A -0.3527
1827 Q A -1.3690
1828 G A -1.1971
1829 A A 0.0000
1830 Q A -1.2997
1831 L A -0.9920
1832 G A -1.4609
1833 A A 0.0000
1834 R A -3.0358
1835 T A 0.0000
1836 D A -3.7134
1837 R A -3.2897
1838 T A -2.3745
1839 G A -2.5174
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 -0.9503
1849 Y A -0.4635
1850 A A -0.5371
1851 R A 0.0000
1852 A A -1.0429
1853 D A -1.7616
1854 A A 0.0000
1855 A A 0.0000
1856 K A -2.6826
1857 R A -2.1556
1858 L A 0.0000
1859 L A -1.9492
1860 D A -2.4856
1861 A A -1.3884
1862 G A -1.6535
1863 A A -1.8106
1864 D A -2.2602
1865 T A 0.0000
1866 N A -1.7836
1867 A A -1.6886
1868 Q A -2.0753
1869 D A 0.0000
1870 H A -2.0851
1871 S A -0.7860
1872 G A -1.2384
1873 R A -1.1273
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 -0.3518
1882 A A -1.1119
1883 D A -1.8925
1884 A A 0.0000
1885 Q A -1.4433
1886 G A -1.0803
1887 V A 0.0000
1888 F A 0.0000
1889 Q A -0.9444
1890 I A -1.0855
1891 L A 0.0000
1892 I A -1.4280
1893 R A -2.4282
1894 N A -2.2866
1895 R A -2.7583
1896 S A -2.0853
1897 T A 0.0000
1898 D A -2.0246
1899 L A -1.5529
1900 D A -1.7835
1901 A A -1.4403
1902 R A -1.5986
1903 M A -1.1763
1904 A A -0.7772
1905 D A -1.2325
1906 G A 0.0000
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 0.2396
1916 L A 0.4745
1917 A A -0.3700
1918 V A -1.1753
1919 E A -2.5873
1920 G A -2.1021
1921 M A 0.0000
1922 V A 0.0000
1923 E A -2.3891
1924 E A -1.7471
1925 L A 0.0000
1926 I A -1.2548
1927 A A -0.9862
1928 S A -1.2027
1929 H A -1.6626
1930 A A 0.0000
1931 D A -1.8979
1932 V A -1.3611
1933 N A -1.3502
1934 A A -0.6870
1935 V A -0.1871
1936 D A 0.0000
1937 E A -1.7952
1938 L A -0.6632
1939 G A -0.7020
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 0.2764
1946 A A 0.0000
1947 A A 0.0000
1948 A A -0.2681
1949 V A 0.4912
1950 N A -0.6778
1951 N A 0.0000
1952 V A -0.7004
1953 E A -1.9243
1954 A A 0.0000
1955 T A 0.0000
1956 L A -0.7073
1957 A A 0.0000
1958 L A 0.0000
1959 L A -1.5323
1960 K A -2.2267
1961 N A -2.5706
1962 G A -1.9121
1963 A A 0.0000
1964 N A -1.8941
1965 K A -1.3750
1966 D A -1.1562
1967 M A -1.1615
1968 Q A -1.5869
1969 D A 0.0000
1970 S A -1.3806
1971 K A -1.7117
1972 E A -2.2437
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 -2.0680
1982 E A -1.6792
1983 G A -1.4182
1984 S A 0.0000
1985 Y A -1.1146
1986 E A -1.6516
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.7170
1990 L A -0.9657
1991 L A 0.0000
1992 L A -1.0337
1993 D A -1.7366
1994 H A -0.8663
1995 F A -0.1217
1996 A A 0.0000
1997 N A -1.0119
1998 R A -1.5939
1999 E A -2.1793
2000 I A -1.3284
2001 T A -1.3952
2002 D A 0.0000
2003 H A -1.6316
2004 L A -0.6863
2005 D A -1.0729
2006 R A -1.1178
2007 L A -1.1899
2008 P A 0.0000
2009 R A -2.9358
2010 D A -2.0596
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -2.8129
2014 E A -3.0147
2015 R A -2.5703
2016 L A -0.7871
2017 H A -2.0093
2018 Q A -2.3483
2019 D A -2.0977
2020 I A 0.0000
2021 V A 0.0000
2022 R A -3.5436
2023 L A 0.0000
2024 L A 0.0000
2025 D A -3.0667
2026 Q A -2.5858
2027 P A -1.8189
2028 S A -1.5389
2029 G A -1.4579
2030 P A -1.5479
2031 R A -2.1751
2032 S A -1.3696
2033 P A -1.2185
2034 P A -1.1812
2035 G A -1.0070
2036 P A -0.9032
2037 H A -1.1706
2038 G A -0.4989
2039 L A 0.9174
2040 G A 0.4943
2041 P A 1.1875
2042 L A 2.5057
2043 L A 2.4171
2044 C A 1.6561
2045 P A 0.5068
2046 P A 0.0635
2047 G A 0.1168
2048 A A 1.1130
2049 F A 2.4608
2050 L A 2.3866
2051 P A 1.0487
2052 G A 0.4077
2053 L A 0.5752
2054 K A -1.1502
2055 A A -0.8692
2056 A A -0.8454
2057 Q A -1.6076
2058 S A -1.3219
2059 G A -1.5774
2060 S A -1.9163
2061 K A -2.8340
2062 K A -3.1619
2063 S A -2.8050
2064 R A -3.3947
2065 R A -3.0779
2066 P A -1.7735
2067 P A -1.4114
2068 G A -1.4654
2069 K A -2.0395
2070 A A -0.8747
2071 G A -0.0053
2072 L A 1.0102
2073 G A -0.2680
2074 P A -0.8767
2075 Q A -1.7231
2076 G A -1.7447
2077 P A -1.9938
2078 R A -2.8131
2079 G A -2.7006
2080 R A -3.3604
2081 G A -2.7464
2082 K A -2.8441
2083 K A -1.9551
2084 L A 0.4988
2085 T A 0.8009
2086 L A 1.9401
2087 A A 1.2004
2088 C A 0.9217
2089 P A 0.2327
2090 G A -0.0589
2091 P A 0.0609
2092 L A 0.7656
2093 A A -0.2819
2094 D A -1.2906
2095 S A -0.4245
2096 S A 0.1870
2097 V A 1.7561
2098 T A 1.3637
2099 L A 2.1371
2100 S A 0.8878
2101 P A 0.3607
2102 V A 0.7778
2103 D A -0.9759
2104 S A -0.4132
2105 L A 0.2868
2106 D A -1.7693
2107 S A -1.3372
2108 P A -1.4213
2109 R A -2.0374
2110 P A -0.7351
2111 F A 0.7157
2112 G A -0.3537
2113 G A -0.5182
2114 P A -0.6256
2115 P A -0.9776
2116 A A -0.4263
2117 S A -0.6034
2118 P A -0.4944
2119 G A -0.3738
2120 G A 0.2754
2121 F A 1.6481
2122 P A 0.6889
2123 L A 0.8748
2124 E A -1.0446
2125 G A -0.7075
2126 P A -0.1145
2127 Y A 0.9039
2128 A A 0.6130
2129 A A 0.4511
2130 A A 0.2305
2131 T A -0.0050
2132 A A 0.1987
2133 T A 0.3800
2134 A A 0.9962
2135 V A 2.0561
2136 S A 1.4284
2137 L A 1.6460
2138 A A 0.8094
2139 Q A -0.1822
2140 L A 0.5928
2141 G A -0.1617
2142 G A -0.5462
2143 P A -1.2217
2144 G A -1.5483
2145 R A -2.2060
2146 A A -0.8804
2147 G A -0.2295
2148 L A 0.6935
2149 G A -0.8490
2150 R A -2.3908
2151 Q A -2.3736
2152 P A -1.5080
2153 P A -0.9820
2154 G A -0.7463
2155 G A -0.0491
2156 C A 1.6131
2157 V A 2.7277
2158 L A 2.7747
2159 S A 1.9270
2160 L A 2.1421
2161 G A 1.3784
2162 L A 2.0917
2163 L A 1.9191
2164 N A 0.1136
2165 P A 0.8719
2166 V A 2.1038
2167 A A 1.6808
2168 V A 2.3663
2169 P A 1.2344
2170 L A 1.4049
2171 D A -0.4360
2172 W A 0.2953
2173 A A -0.2128
2174 R A -0.9820
2175 L A 0.4410
2176 P A -0.0249
2177 P A -0.1948
2178 P A -0.5015
2179 A A -0.3959
2180 P A -0.6007
2181 P A -0.7096
2182 G A -0.6193
2183 P A -0.0245
2184 S A 1.0806
2185 F A 2.8529
2186 L A 3.2920
2187 L A 3.0522
2188 P A 1.8901
2189 L A 1.8972
2190 A A 0.7597
2191 P A -0.2077
2192 G A -0.8153
2193 P A -0.7930
2194 Q A -0.2228
2195 L A 1.3280
2196 L A 1.3781
2197 N A -0.4329
2198 P A -0.8327
2199 G A -0.7668
2200 T A -0.1628
2201 P A 0.3396
2202 V A 1.2699
2203 S A -0.0632
2204 P A -1.2655
2205 Q A -2.4844
2206 E A -3.5052
2207 R A -3.2241
2208 P A -1.9631
2209 P A -0.8907
2210 P A 0.3201
2211 Y A 2.1841
2212 L A 2.6651
2213 A A 1.8387
2214 V A 2.1025
2215 P A 0.3584
2216 G A -0.7600
2217 H A -2.1298
2218 G A -2.2845
2219 E A -2.9149
2220 E A -2.3630
2221 Y A -0.1892
2222 P A -0.1012
2223 A A -0.0460
2224 A A -0.0532
2225 G A -0.6403
2226 A A -0.7653
2227 H A -1.2597
2228 S A -0.9316
2229 S A -0.9447
2230 P A -1.0613
2231 P A -1.4583
2232 K A -2.2720
2233 A A -1.2375
2234 R A -1.0505
2235 F A 1.5350
2236 L A 1.5907
2237 R A 0.1075
2238 V A 1.2142
2239 P A -0.3124
2240 S A -1.1410
2241 E A -2.4062
2242 H A -1.5850
2243 P A -0.2002
2244 Y A 1.4976
2245 L A 1.9064
2246 T A 0.8061
2247 P A 0.0765
2248 S A -0.7774
2249 P A -1.3567
2250 E A -2.1683
2251 S A -1.8136
2252 P A -1.8778
2253 E A -2.2511
2254 H A -1.4298
2255 W A 0.2491
2256 A A 0.2541
2257 S A -0.0970
2258 P A -0.5215
2259 S A -0.5873
2260 P A -0.4495
2261 P A -0.1956
2262 S A 0.4413
2263 L A 0.8414
2264 S A -0.2515
2265 D A -1.0280
2266 W A -0.2651
2267 S A -0.9261
2268 E A -1.7935
2269 S A -1.3688
2270 T A -0.7616
2271 P A -0.5066
2272 S A -0.4883
2273 P A -0.4083
2274 A A -0.1417
2275 T A -0.1239
2276 A A -0.1055
2277 T A -0.3116
2278 G A -0.2430
2279 A A 0.4080
2280 M A 0.9985
2281 A A 0.5429
2282 T A 0.1189
2283 T A -0.2349
2284 T A -0.3734
2285 G A -0.1635
2286 A A 0.5210
2287 L A 1.3540
2288 P A 0.3391
2289 A A -0.3855
2290 Q A -1.0581
2291 P A -0.1611
2292 L A 1.3962
2293 P A 1.2094
2294 L A 2.0698
2295 S A 1.5359
2296 V A 1.7862
2297 P A 0.5981
2298 S A 0.3167
2299 S A 0.3808
2300 L A 1.0954
2301 A A 0.0066
2302 Q A -1.0670
2303 A A -1.1437
2304 Q A -1.7336
2305 T A -0.9671
2306 Q A -0.7691
2307 L A 0.5758
2308 G A -0.3336
2309 P A -0.9165
2310 Q A -1.7968
2311 P A -1.4239
2312 E A -1.3536
2313 V A 0.3797
2314 T A -0.2234
2315 P A -1.4175
2316 K A -2.8272
2317 R A -2.9947
2318 Q A -1.3763
2319 V A 1.5341
2320 L A 2.1857
2321 A A 1.2674
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 -0.0872 6.9078 View CSV PDB
4.5 -0.1715 6.9078 View CSV PDB
5.0 -0.2743 6.9078 View CSV PDB
5.5 -0.381 6.9078 View CSV PDB
6.0 -0.4787 6.9078 View CSV PDB
6.5 -0.5596 6.9078 View CSV PDB
7.0 -0.6232 6.9078 View CSV PDB
7.5 -0.6747 6.9078 View CSV PDB
8.0 -0.7179 6.9078 View CSV PDB
8.5 -0.7516 6.9078 View CSV PDB
9.0 -0.7723 6.9078 View CSV PDB