Project name: G1347R

Status: done

Started: 2026-05-14 06:15:50
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHRGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:29)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:29)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:31:03)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/329737d56d0f158/tmp/folded.pdb                (00:31:03)
[INFO]       Main:     Simulation completed successfully.                                          (01:01:35)
Show buried residues

Minimal score value
-4.8356
Maximal score value
5.6383
Average score
-0.7374
Total score value
-1711.5885

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 0.7083
2 G A -0.1899
3 P A -0.6265
4 G A -1.0550
5 A A -1.5155
6 R A -2.8755
7 G A -2.9975
8 R A -4.0585
9 R A -4.3677
10 R A -4.8356
11 R A -4.8190
12 R A -3.9975
13 R A -3.2435
14 P A -1.4108
15 M A -0.0018
16 S A -0.2333
17 P A -0.3268
18 P A -0.5169
19 P A -0.6865
20 P A -0.6986
21 P A -0.3844
22 P A -0.3200
23 P A -0.0840
24 V A 0.8574
25 R A -0.6796
26 A A 0.5519
27 L A 1.8984
28 P A 1.8663
29 L A 3.3789
30 L A 4.0026
31 L A 3.8646
32 L A 3.7280
33 L A 2.8901
34 A A 1.4284
35 G A -0.0276
36 P A -0.3026
37 G A -0.6691
38 A A -0.2797
39 A A -0.2766
40 A A -0.2837
41 P A -0.9539
42 P A -0.9081
43 C A -0.7589
44 L A 0.1756
45 D A -1.3141
46 G A -0.9121
47 S A -0.7002
48 P A -0.8575
49 C A -1.0493
50 A A -1.2401
51 N A -1.6684
52 G A -1.2022
53 G A -1.0344
54 R A -1.3849
55 C A 0.0306
56 T A -0.7298
57 Q A -1.7089
58 L A -1.2531
59 P A -1.3060
60 S A -1.7447
61 R A -3.0330
62 E A -2.7642
63 A A 0.0000
64 A A -0.7812
65 C A -0.3020
66 L A 0.7107
67 C A 0.0117
68 P A -0.2112
69 P A -0.4606
70 G A -1.0346
71 W A -1.0470
72 V A -0.7822
73 G A -0.8912
74 E A -1.8244
75 R A -1.5695
76 C A 0.0000
77 Q A -1.6300
78 L A -1.4707
79 E A -2.3379
80 D A -1.6879
81 P A -1.4450
82 C A -1.0564
83 H A -1.6133
84 S A -1.1473
85 G A -0.8910
86 P A -0.4698
87 C A -0.8987
88 A A -0.6050
89 G A -1.0588
90 R A -1.6683
91 G A -1.1284
92 V A 0.3824
93 C A -0.4021
94 Q A -1.0201
95 S A -0.6918
96 S A -0.2059
97 V A 0.5462
98 V A 1.3712
99 A A 0.5322
100 G A -0.2788
101 T A -0.1993
102 A A 0.0000
103 R A -1.5078
104 F A -0.7404
105 S A -1.0039
106 C A -1.0590
107 R A -1.8029
108 C A -1.0897
109 P A -1.2410
110 R A -1.7186
111 G A -0.2467
112 F A -0.1209
113 R A -0.6086
114 G A -0.5711
115 P A -0.8554
116 D A -1.0079
117 C A 0.0000
118 S A -0.3104
119 L A 0.5276
120 P A 0.2032
121 D A -0.0310
122 P A 0.1379
123 C A 0.3279
124 L A 0.8086
125 S A 0.2759
126 S A -0.1323
127 P A -0.4266
128 C A -1.2376
129 A A -1.6340
130 H A -1.6888
131 G A -1.2876
132 A A -1.6400
133 R A -1.9660
134 C A 0.0000
135 S A -0.2288
136 V A 0.0911
137 G A -0.6781
138 P A -1.2212
139 D A -2.2710
140 G A -1.4755
141 R A -1.9584
142 F A -0.6136
143 L A -0.2422
144 C A -0.9283
145 S A -1.0574
146 C A -1.4163
147 P A -0.8474
148 P A -0.5429
149 G A -0.7692
150 Y A -1.8409
151 Q A -2.4426
152 G A -2.4896
153 R A -2.4642
154 S A -1.9851
155 C A 0.0000
156 R A -2.9545
157 S A -2.3012
158 D A -1.8880
159 V A -0.9365
160 D A -0.8070
161 E A -0.9170
162 C A -1.1862
163 R A -1.5925
164 V A 0.2917
165 G A -0.9690
166 E A -2.1935
167 P A -1.6197
168 C A 0.0000
169 R A -2.6594
170 H A -2.0134
171 G A -1.6134
172 G A -1.6531
173 T A -1.2427
174 C A -1.3342
175 L A -0.6006
176 N A -1.0702
177 T A -0.7161
178 P A -0.9015
179 G A -1.0158
180 S A -0.6641
181 F A -0.7476
182 R A -1.8008
183 C A -1.5992
184 Q A -1.5066
185 C A -1.2415
186 P A -0.5976
187 A A 0.1312
188 G A 0.0305
189 Y A -0.4241
190 T A -0.7120
191 G A -0.9860
192 P A -1.1082
193 L A -1.4071
194 C A 0.0000
195 E A -1.8370
196 N A -1.6263
197 P A -0.4408
198 A A 0.2666
199 V A 0.9477
200 P A -0.0761
201 C A -0.2757
202 A A 0.0981
203 P A -0.0188
204 S A -0.7259
205 P A -1.0524
206 C A -2.1066
207 R A -2.8347
208 N A -2.0287
209 G A -1.3139
210 G A -1.5174
211 T A -1.2050
212 C A -1.8431
213 R A -2.9100
214 Q A -2.3927
215 S A -1.7732
216 G A -1.3033
217 D A -1.2344
218 L A 0.4939
219 T A -0.5715
220 Y A -1.5370
221 D A -2.7810
222 C A 0.0000
223 A A -0.9330
224 C A -0.8155
225 L A 0.0433
226 P A -0.1191
227 G A -0.7061
228 F A -1.3434
229 E A -2.2382
230 G A -1.9184
231 Q A -2.3283
232 N A -2.3201
233 C A 0.0000
234 E A -2.1205
235 V A -1.1709
236 N A -1.5177
237 V A -1.2703
238 D A -1.9987
239 D A -2.0529
240 C A -1.6962
241 P A -1.4056
242 G A -1.3766
243 H A -1.6569
244 R A -2.0456
245 C A 0.0000
246 L A 0.2818
247 N A -0.1537
248 G A -0.2114
249 G A 0.0000
250 T A -0.5728
251 C A -0.6805
252 V A -0.4333
253 D A -1.0927
254 G A -0.4582
255 V A 0.4371
256 N A -0.9788
257 T A -0.7974
258 Y A -1.3748
259 N A -1.8129
260 C A -1.3061
261 Q A -1.4088
262 C A -1.0242
263 P A -0.5790
264 P A -0.7764
265 E A -1.1599
266 W A 0.0000
267 T A -1.4553
268 G A -1.4378
269 Q A -1.8584
270 F A -1.2708
271 C A 0.0000
272 T A -0.9722
273 E A -2.0343
274 D A -1.3945
275 V A -0.9457
276 D A -1.0902
277 E A -1.1590
278 C A -1.0857
279 Q A -1.2430
280 L A -0.0607
281 Q A -1.5158
282 P A -1.5191
283 N A -2.1559
284 A A -1.6020
285 C A 0.0000
286 H A -2.0068
287 N A -1.5315
288 G A -1.0908
289 G A -0.7582
290 T A -0.2434
291 C A -0.5202
292 F A 0.0837
293 N A -0.5095
294 T A -0.0293
295 L A 0.3689
296 G A -0.4326
297 G A -0.3192
298 H A -0.6007
299 S A -0.5534
300 C A 0.0000
301 V A 0.0000
302 C A -0.3397
303 V A 0.5044
304 N A 0.2731
305 G A 0.0000
306 W A -0.4952
307 T A -1.0216
308 G A -1.4948
309 E A -2.2624
310 S A -1.7685
311 C A 0.0000
312 S A -1.6205
313 Q A -1.9640
314 N A -1.1681
315 I A -0.6313
316 D A -1.9128
317 D A -0.9221
318 C A -0.4516
319 A A -0.3991
320 T A -0.0847
321 A A 0.5689
322 V A 1.4345
323 C A 1.2123
324 F A 0.7148
325 H A -0.6837
326 G A -0.5142
327 A A 0.1578
328 T A 0.1540
329 C A 0.2630
330 H A -0.6468
331 D A -1.0368
332 R A -0.4024
333 V A 0.5501
334 A A 0.1549
335 S A 0.0113
336 F A 0.4253
337 Y A 1.0860
338 C A 0.0000
339 A A 0.4776
340 C A 0.3914
341 P A 0.1505
342 M A 0.8329
343 G A 0.0076
344 K A -0.9711
345 T A -0.7753
346 G A -0.1049
347 L A 0.9405
348 L A 1.0994
349 C A 0.0000
350 H A -0.2582
351 L A -1.1974
352 D A -2.0629
353 D A -1.2243
354 A A -1.0355
355 C A -0.1368
356 V A 0.8983
357 S A -0.0083
358 N A -0.9442
359 P A -1.0255
360 C A -1.2435
361 H A -2.2312
362 E A -2.8992
363 D A -2.2291
364 A A -0.7930
365 I A 1.1629
366 C A 0.2078
367 D A -0.3153
368 T A 0.0000
369 N A -0.7973
370 P A 0.0000
371 V A 0.6869
372 N A -1.0586
373 G A -1.7502
374 R A -2.2546
375 A A -0.8868
376 I A 0.2490
377 C A -0.0312
378 T A 0.5533
379 C A -0.3010
380 P A -0.3247
381 P A -0.6451
382 G A -0.7788
383 F A -1.4783
384 T A -1.2041
385 G A -1.3795
386 G A -0.9549
387 A A -1.3062
388 C A 0.0000
389 D A -2.9352
390 Q A -2.6104
391 D A -2.0261
392 V A -1.0354
393 D A -1.0989
394 E A -0.2594
395 C A -0.1516
396 S A 0.0877
397 I A 1.2044
398 G A 0.1919
399 A A -0.5196
400 N A -1.3813
401 P A -0.9014
402 C A 0.0000
403 E A -2.1649
404 H A -1.5466
405 L A -0.0202
406 G A 0.0000
407 R A -2.0161
408 C A 0.0000
409 V A 0.1097
410 N A -0.4587
411 T A -0.4525
412 Q A -1.7070
413 G A -1.4614
414 S A -0.2763
415 F A 0.5355
416 L A 1.0016
417 C A -0.5597
418 Q A -1.3444
419 C A -1.4587
420 G A -1.3616
421 R A -2.0045
422 G A -1.2325
423 Y A -1.1911
424 T A -1.3212
425 G A -1.0136
426 P A -0.5763
427 R A -1.3155
428 C A 0.0000
429 E A -2.0332
430 T A -1.4824
431 D A -1.6878
432 V A -0.8569
433 N A -0.8067
434 E A -0.7622
435 C A -0.0698
436 L A 0.9369
437 S A 0.0962
438 G A -0.5386
439 P A -0.3296
440 C A -0.6292
441 R A -2.2610
442 N A -1.9973
443 Q A -1.8075
444 A A -0.5352
445 T A 0.2254
446 C A 0.2843
447 L A 0.2202
448 D A -0.8183
449 R A -1.0627
450 I A 0.0935
451 G A -1.1265
452 Q A -1.4038
453 F A -0.3490
454 T A 0.2055
455 C A 0.6773
456 I A 1.5958
457 C A 0.6534
458 M A 0.1376
459 A A 0.2469
460 G A 0.0000
461 F A -0.2802
462 T A -0.0514
463 G A -0.0003
464 T A 0.2840
465 Y A 0.3540
466 C A 0.0000
467 E A -1.0018
468 V A -0.2631
469 D A -1.8278
470 I A -1.4793
471 D A -3.1521
472 E A -2.9526
473 C A -2.1771
474 Q A -2.2342
475 S A -1.3342
476 S A -0.5192
477 P A -0.1666
478 C A 0.2753
479 V A 0.5263
480 N A -0.7163
481 G A -0.2352
482 G A 0.3730
483 V A 1.2279
484 C A -0.5604
485 K A -2.3018
486 D A -3.6132
487 R A -2.8860
488 V A -0.5540
489 N A -1.4902
490 G A -1.4807
491 F A -1.6103
492 S A -0.7933
493 C A 0.1890
494 T A 0.3677
495 C A 0.3606
496 P A -0.3220
497 S A -0.9380
498 G A -1.9394
499 F A -0.9774
500 S A -0.5841
501 G A -0.5211
502 S A -0.2439
503 T A 0.0399
504 C A 0.0000
505 Q A -0.9923
506 L A -0.3506
507 D A -2.4902
508 V A -1.8456
509 D A -2.8849
510 E A -2.8723
511 C A -1.7509
512 A A -1.0352
513 S A -0.7320
514 T A -0.9257
515 P A -0.7997
516 C A 0.0000
517 R A -2.8185
518 N A -2.9254
519 G A -2.3023
520 A A -2.7751
521 K A -2.9554
522 C A -2.2304
523 V A -1.9085
524 D A -3.3656
525 Q A -2.9461
526 P A -2.6006
527 D A -2.9530
528 G A -2.2159
529 Y A -2.0966
530 E A -2.1972
531 C A -2.2613
532 R A -2.8696
533 C A -2.8461
534 A A -2.1295
535 E A -1.9160
536 G A -1.4054
537 F A -2.6640
538 E A -3.4305
539 G A -2.1514
540 T A -1.2940
541 L A -1.4621
542 C A 0.0000
543 D A -2.6921
544 R A -3.6197
545 N A -2.8963
546 V A -1.8456
547 D A -2.4171
548 D A -1.4766
549 C A -1.6212
550 S A -1.5883
551 P A -1.5628
552 D A -2.6718
553 P A -1.9027
554 C A 0.0000
555 H A -2.5122
556 H A -1.9519
557 G A -1.8102
558 R A -2.2165
559 C A -1.1914
560 V A -0.0333
561 D A -0.9212
562 G A 0.2167
563 I A 0.9796
564 A A -0.1651
565 S A 0.1097
566 F A 0.0470
567 S A -0.2132
568 C A -0.9163
569 A A -0.4922
570 C A -0.8527
571 A A -0.4172
572 P A -0.3711
573 G A -0.6820
574 Y A -0.8697
575 T A -0.9009
576 G A -1.2242
577 T A -1.0038
578 R A -2.3080
579 C A 0.0000
580 E A -2.5544
581 S A -1.7253
582 Q A -1.4411
583 V A -1.3424
584 D A -2.2231
585 E A -2.1611
586 C A -2.1853
587 R A -2.8625
588 S A -1.8806
589 Q A -2.6414
590 P A -1.4361
591 C A -1.7737
592 R A -2.8535
593 H A -1.7529
594 G A -1.9742
595 G A -2.2164
596 K A -2.7547
597 C A -1.7106
598 L A -0.7754
599 D A -1.6882
600 L A -0.1561
601 V A 0.0869
602 D A -2.0206
603 K A -1.7732
604 Y A -0.4937
605 L A 0.5153
606 C A -0.8515
607 R A -2.0227
608 C A -1.2040
609 P A -1.2892
610 S A -0.5190
611 G A -0.7359
612 T A 0.0000
613 T A 0.0372
614 G A 0.1785
615 V A 1.3014
616 N A -0.5460
617 C A 0.0000
618 E A -0.7787
619 V A 0.4473
620 N A -0.7771
621 I A -0.1155
622 D A -2.2403
623 D A -2.9459
624 C A -2.0441
625 A A -1.0717
626 S A -1.2069
627 N A -1.3560
628 P A -0.4150
629 C A 0.1411
630 T A 0.5643
631 F A 1.3026
632 G A 0.7041
633 V A 1.1706
634 C A -0.5382
635 R A -2.7807
636 D A -2.7384
637 G A -2.1621
638 I A -0.7791
639 N A -2.1629
640 R A -3.0897
641 Y A -2.8644
642 D A -2.4077
643 C A 0.0000
644 V A 0.2855
645 C A 0.2365
646 Q A -0.9945
647 P A -1.5132
648 G A -2.0099
649 F A 0.0000
650 T A -0.2179
651 G A -0.0659
652 P A -0.2201
653 L A 0.6105
654 C A 0.0000
655 N A -0.5453
656 V A 0.1025
657 E A -1.9058
658 I A -1.4610
659 N A -2.1171
660 E A -2.1598
661 C A -0.9815
662 A A -0.7180
663 S A -0.6187
664 S A -0.5428
665 P A -0.3644
666 C A -0.1294
667 G A -0.6422
668 E A -1.9913
669 G A -1.2405
670 G A -0.4528
671 S A -0.3379
672 C A -0.0642
673 V A -0.3613
674 D A -2.0986
675 G A -2.3355
676 E A -3.3286
677 N A -2.9677
678 G A -1.9119
679 F A -1.2943
680 R A -1.2058
681 C A 0.1047
682 L A 1.0299
683 C A 0.3162
684 P A -0.2725
685 P A -0.2967
686 G A -0.4896
687 S A -0.2007
688 L A 0.4674
689 P A 0.2442
690 P A 0.1608
691 L A 0.7028
692 C A 0.0000
693 L A -0.0371
694 P A -0.4874
695 P A -0.4921
696 S A -0.5575
697 H A -0.7741
698 P A -1.1151
699 C A -0.9836
700 A A -1.1286
701 H A -1.9192
702 E A -1.8203
703 P A -1.4011
704 C A -0.7836
705 S A -1.0302
706 H A -0.8499
707 G A -0.0512
708 I A 1.6808
709 C A 0.3100
710 Y A 0.1709
711 D A -1.7043
712 A A -1.1750
713 P A -1.0037
714 G A -0.9842
715 G A -0.8605
716 F A -1.1652
717 R A -1.3816
718 C A -0.4170
719 V A 0.9819
720 C A -0.4586
721 E A -1.4832
722 P A -0.9587
723 G A -0.6936
724 W A -0.7081
725 S A -0.7748
726 G A -0.9471
727 P A -1.2412
728 R A -1.9802
729 C A 0.0000
730 S A -1.4134
731 Q A -1.2936
732 S A -0.1018
733 L A 0.7453
734 A A -0.5525
735 R A -2.5311
736 D A -3.1659
737 A A -1.8718
738 C A -1.9281
739 E A -2.8764
740 S A -1.8000
741 Q A -1.9155
742 P A -1.4894
743 C A -1.7782
744 R A -2.4941
745 A A -0.9898
746 G A -1.0630
747 G A -1.3844
748 T A -0.6633
749 C A -0.9202
750 S A -0.6952
751 S A -1.0727
752 D A -1.7129
753 G A -1.0001
754 M A 0.2829
755 G A -0.2016
756 F A -0.2556
757 H A -1.1690
758 C A -1.1592
759 T A -0.5812
760 C A -0.6753
761 P A -0.1138
762 P A -0.1190
763 G A 0.3117
764 V A 0.3434
765 Q A -0.3358
766 G A -1.2554
767 R A -2.4564
768 Q A -2.0431
769 C A 0.0000
770 E A -1.0313
771 L A 0.4496
772 L A 1.5943
773 S A 0.3550
774 P A 0.1172
775 C A -0.4774
776 T A -0.3675
777 P A -0.7400
778 N A -2.3078
779 P A -1.3950
780 C A 0.0000
781 E A -3.3853
782 H A -2.5221
783 G A -1.9909
784 G A 0.0000
785 R A -2.6830
786 C A -1.8148
787 E A -1.6626
788 S A -0.6772
789 A A -0.5451
790 P A -0.7373
791 G A -0.7996
792 Q A -0.7237
793 L A 1.0197
794 P A 0.2316
795 V A 1.0005
796 C A -0.8246
797 S A -0.9833
798 C A -1.4193
799 P A -1.6132
800 Q A -1.5997
801 G A 0.0000
802 W A -1.8419
803 Q A -2.0237
804 G A -1.3633
805 P A -0.8261
806 R A -1.8954
807 C A 0.0000
808 Q A -2.5386
809 Q A -2.4529
810 D A -1.6246
811 V A -1.2310
812 D A -1.5178
813 E A -1.2909
814 C A -0.3210
815 A A -0.6353
816 G A -0.7384
817 P A -0.4716
818 A A -0.0778
819 P A -0.2041
820 C A 0.0000
821 G A -0.5220
822 P A -0.5851
823 H A -1.1459
824 G A 0.0153
825 I A 1.5942
826 C A 0.8373
827 T A 0.2983
828 N A -0.2214
829 L A 0.2863
830 A A -0.1825
831 G A -0.7989
832 S A -0.6331
833 F A -0.2097
834 S A 0.1370
835 C A 0.5020
836 T A 0.3988
837 C A -0.4249
838 H A -0.8054
839 G A -0.8730
840 G A -0.8064
841 Y A -1.2806
842 T A -1.2348
843 G A -0.8831
844 P A -0.9244
845 S A -0.8826
846 C A 0.0000
847 D A -2.5465
848 Q A -2.2520
849 D A -2.2227
850 I A -1.1399
851 N A -2.3378
852 D A -2.0261
853 C A -2.0580
854 D A -2.5812
855 P A -1.8562
856 N A -1.6813
857 P A -0.8562
858 C A 0.0000
859 L A -0.2531
860 N A -0.2050
861 G A 0.0382
862 G A 0.0000
863 S A -0.5683
864 C A -1.2249
865 Q A -1.8221
866 D A -1.9022
867 G A -0.4986
868 V A 0.6125
869 G A -0.4662
870 S A -0.2924
871 F A -0.5834
872 S A -0.7884
873 C A -0.6201
874 S A -0.3619
875 C A 0.0478
876 L A 0.8140
877 P A 0.2915
878 G A -0.2521
879 F A -0.3307
880 A A -0.7486
881 G A -1.1642
882 P A -1.0455
883 R A -1.4699
884 C A 0.0000
885 A A -1.2361
886 R A -2.1294
887 D A -1.6159
888 V A -0.3309
889 D A -0.7514
890 E A -0.5415
891 C A -0.3658
892 L A 0.7041
893 S A -0.2595
894 N A -1.1588
895 P A -0.9297
896 C A 0.0000
897 G A -1.4899
898 P A -1.0138
899 G A -0.8007
900 T A -0.6126
901 C A -0.6100
902 T A -1.0190
903 D A -1.5242
904 H A -0.8296
905 V A -0.4678
906 A A -0.1263
907 S A -0.3471
908 F A -0.6437
909 T A -0.1627
910 C A 0.0000
911 T A 0.1528
912 C A -0.3010
913 P A -0.1785
914 P A -0.4385
915 G A 0.0000
916 Y A -1.1056
917 G A -0.9643
918 G A -0.9690
919 F A -0.1729
920 H A -1.4479
921 C A 0.0000
922 E A -2.9195
923 Q A -2.5283
924 D A -2.4828
925 L A -0.9345
926 P A -0.7082
927 D A -0.6578
928 C A -0.2220
929 S A 0.0000
930 P A -0.1669
931 S A 0.1489
932 S A 0.0000
933 C A 0.0000
934 F A -0.4085
935 N A -1.2534
936 G A -0.7301
937 G A -0.2008
938 T A 0.2385
939 C A 0.7266
940 V A 0.7771
941 D A -0.8094
942 G A -0.4603
943 V A -0.1172
944 N A -1.1014
945 S A -0.4149
946 F A 0.2377
947 S A 0.4736
948 C A 0.7982
949 L A 1.4339
950 C A -0.3437
951 R A -1.8173
952 P A -1.1710
953 G A -1.4551
954 Y A -1.2684
955 T A -0.8513
956 G A -0.2895
957 A A 0.1199
958 H A 0.0860
959 C A 0.0000
960 Q A -0.8735
961 H A -1.2230
962 E A -2.2344
963 A A -1.2047
964 D A -1.0628
965 P A -0.7374
966 C A -0.0303
967 L A 0.7029
968 S A -0.4392
969 R A -1.1104
970 P A -0.6556
971 C A -0.5424
972 L A -0.0001
973 H A -0.2481
974 G A -0.1406
975 G A 0.1616
976 V A 0.9926
977 C A 0.1608
978 S A -0.5646
979 A A -0.3684
980 A A -0.9288
981 H A -1.3674
982 P A -0.9927
983 G A -0.8082
984 F A -0.5304
985 R A -1.4804
986 C A -0.2893
987 T A 0.0277
988 C A 0.1530
989 L A 0.6824
990 E A -0.8372
991 S A -0.6028
992 F A -0.1199
993 T A -0.3086
994 G A -0.3586
995 P A -0.8777
996 Q A -0.9991
997 C A 0.0000
998 Q A -0.7995
999 T A -0.3001
1000 L A 0.0758
1001 V A -0.3561
1002 D A -1.7379
1003 W A -1.3932
1004 C A -1.6286
1005 S A -1.9291
1006 R A -2.7263
1007 Q A -2.6587
1008 P A -1.6981
1009 C A -1.7039
1010 Q A -2.4218
1011 N A -2.1765
1012 G A -1.5338
1013 G A -1.4579
1014 R A -1.6365
1015 C A -1.0046
1016 V A -0.0994
1017 Q A -0.7657
1018 T A -0.4852
1019 G A -0.3570
1020 A A -0.3269
1021 Y A 0.3109
1022 C A 0.0000
1023 L A 0.8156
1024 C A -0.4144
1025 P A -0.3454
1026 P A -0.3951
1027 G A -0.7807
1028 W A -1.1026
1029 S A -0.8167
1030 G A -0.8084
1031 R A -0.9971
1032 L A -1.0397
1033 C A 0.0000
1034 D A -1.8151
1035 I A 0.0000
1036 R A -1.9206
1037 S A -1.6245
1038 L A -1.6882
1039 P A -2.1481
1040 C A 0.0000
1041 R A -2.9007
1042 E A -2.0675
1043 A A 0.0000
1044 A A 0.0000
1045 A A -1.0909
1046 Q A -0.8270
1047 I A 1.0658
1048 G A -0.1399
1049 V A -0.7177
1050 R A -2.1854
1051 L A -1.7120
1052 E A -3.0841
1053 Q A -2.7834
1054 L A 0.0000
1055 C A 0.0000
1056 Q A -2.2667
1057 A A -1.7053
1058 G A -1.3860
1059 G A 0.0000
1060 Q A -1.2613
1061 C A 0.0000
1062 V A -0.7218
1063 D A -2.9993
1064 E A -3.2965
1065 D A -3.1359
1066 S A -2.1103
1067 S A -1.9956
1068 H A 0.0000
1069 Y A 0.0172
1070 C A 0.3842
1071 V A 0.9739
1072 C A -0.6025
1073 P A -1.2877
1074 E A -1.9270
1075 G A 0.0000
1076 R A -2.1171
1077 T A -1.6156
1078 G A -1.1924
1079 S A -0.7287
1080 H A -1.1272
1081 C A 0.0000
1082 E A -2.2979
1083 Q A -2.5286
1084 E A -2.9643
1085 V A -1.8640
1086 D A -1.9904
1087 P A -1.0668
1088 C A 0.0000
1089 L A -0.0875
1090 A A -0.3680
1091 Q A -0.9922
1092 P A -0.9717
1093 C A 0.0000
1094 Q A -2.0189
1095 H A -1.5390
1096 G A -1.0099
1097 G A -1.2727
1098 T A -0.9231
1099 C A -0.7671
1100 R A -1.3916
1101 G A -0.2138
1102 Y A 0.8302
1103 M A 0.5120
1104 G A -0.7286
1105 G A -0.1663
1106 Y A -0.0977
1107 M A 0.1648
1108 C A -1.1687
1109 E A -1.4873
1110 C A -1.2599
1111 L A 0.3237
1112 P A -0.1526
1113 G A -0.9535
1114 Y A -2.1554
1115 N A -3.1783
1116 G A -3.1614
1117 D A -2.8044
1118 N A -2.5863
1119 C A 0.0000
1120 E A -3.9823
1121 D A -4.4042
1122 D A -3.4799
1123 V A -2.2585
1124 D A -2.9574
1125 E A -2.4106
1126 C A 0.0000
1127 A A -1.3627
1128 S A -1.1947
1129 Q A -1.7407
1130 P A -0.7382
1131 C A -0.6984
1132 Q A -1.3336
1133 H A -0.7443
1134 G A -1.0388
1135 G A -0.7001
1136 S A -0.7465
1137 C A -0.7736
1138 I A 0.0000
1139 D A -2.3203
1140 L A -0.9392
1141 V A 0.3316
1142 A A -0.5973
1143 R A -1.7634
1144 Y A -1.0432
1145 L A -0.0307
1146 C A 0.0000
1147 S A 0.0000
1148 C A 0.0000
1149 P A -0.4021
1150 P A -0.2420
1151 G A -0.6322
1152 T A 0.0000
1153 L A 0.5341
1154 G A 0.9192
1155 V A 1.9660
1156 L A 0.7858
1157 C A 0.0000
1158 E A -0.2538
1159 I A 0.6441
1160 N A -0.7462
1161 E A -1.7463
1162 D A -2.3139
1163 D A -1.5720
1164 C A -1.0509
1165 G A -1.1662
1166 P A -1.1811
1167 G A -1.1600
1168 P A -0.5740
1169 P A -0.3950
1170 L A 0.3244
1171 D A -1.6098
1172 S A -1.1375
1173 G A -1.1557
1174 P A -1.2112
1175 R A -0.9619
1176 C A 0.0000
1177 L A -0.5075
1178 H A -1.2340
1179 N A -1.5938
1180 G A -0.7866
1181 T A -0.7486
1182 C A -0.3852
1183 V A 0.0000
1184 D A -0.6691
1185 L A 0.2861
1186 V A 0.7545
1187 G A -0.3492
1188 G A -0.3472
1189 F A -0.0728
1190 R A -0.2212
1191 C A 0.0000
1192 T A -0.2551
1193 C A -0.2538
1194 P A -0.4962
1195 P A -0.2382
1196 G A 0.0000
1197 Y A -0.2683
1198 T A 0.3006
1199 G A 0.6309
1200 L A 1.2718
1201 R A 0.1636
1202 C A 0.0000
1203 E A -0.0104
1204 A A 0.0000
1205 D A -0.4810
1206 I A -0.2732
1207 N A -1.0663
1208 E A -1.4614
1209 C A -1.4270
1210 R A -2.2429
1211 S A -1.4949
1212 G A -1.4220
1213 A A 0.0000
1214 C A -1.6236
1215 H A -1.3934
1216 A A -0.6488
1217 A A -0.4795
1218 H A -0.6857
1219 T A -0.7367
1220 R A -0.2525
1221 D A 0.0000
1222 C A -0.7478
1223 L A -0.4391
1224 Q A -0.9732
1225 D A -0.9850
1226 P A -0.5051
1227 G A -0.7129
1228 G A -0.5469
1229 G A -0.7624
1230 F A -1.0589
1231 R A -1.8705
1232 C A -1.1739
1233 L A -0.1274
1234 C A -0.4113
1235 H A -0.0918
1236 A A 0.2946
1237 G A 0.0000
1238 F A 0.1543
1239 S A -0.3307
1240 G A -1.0429
1241 P A -1.5757
1242 R A -2.3173
1243 C A 0.0000
1244 Q A -1.6511
1245 T A -0.4335
1246 V A 0.7965
1247 L A 0.4070
1248 S A -0.2886
1249 P A 0.0000
1250 C A -1.6189
1251 E A -2.2061
1252 S A -1.6015
1253 Q A -2.4356
1254 P A -1.5410
1255 C A 0.0000
1256 Q A -1.6800
1257 H A -1.1741
1258 G A -1.4138
1259 G A -1.9214
1260 Q A -2.3542
1261 C A 0.0000
1262 R A -2.1564
1263 P A -0.8516
1264 S A -0.4325
1265 P A -0.3417
1266 G A -0.3972
1267 P A -0.6618
1268 G A -0.8989
1269 G A -0.8061
1270 G A 0.0000
1271 L A 0.3051
1272 T A -0.0270
1273 F A -0.4879
1274 T A -0.9916
1275 C A -1.7067
1276 H A -1.7991
1277 C A -1.1469
1278 A A -0.5951
1279 Q A -0.6467
1280 P A -0.7987
1281 F A 0.0000
1282 W A -0.8525
1283 G A -0.9257
1284 P A -1.0100
1285 R A -1.8978
1286 C A 0.0000
1287 E A -1.3586
1288 R A -1.3998
1289 V A -0.7381
1290 A A 0.0000
1291 R A -2.4349
1292 S A -1.9584
1293 C A -2.0362
1294 R A -2.2838
1295 E A 0.0000
1296 L A 0.0000
1297 Q A -1.3292
1298 C A -0.5780
1299 P A 0.3246
1300 V A 1.4196
1301 G A 0.4713
1302 V A 0.1337
1303 P A -0.5175
1304 C A -1.3906
1305 Q A -1.8634
1306 Q A -2.7294
1307 T A -1.6241
1308 P A -1.1584
1309 R A -1.5264
1310 G A -1.6514
1311 P A 0.0000
1312 R A -2.4441
1313 C A 0.0000
1314 A A -0.6828
1315 C A -0.4767
1316 P A -0.1293
1317 P A -0.0885
1318 G A -0.0339
1319 L A 0.3690
1320 S A -0.1454
1321 G A -0.6933
1322 P A -0.9857
1323 S A -1.0826
1324 C A 0.0000
1325 R A -1.4337
1326 S A -0.1731
1327 F A 1.2334
1328 P A 0.1180
1329 G A -0.1171
1330 S A -0.1975
1331 P A -0.7388
1332 P A -0.8542
1333 G A -0.9091
1334 A A -0.8325
1335 S A -0.9023
1336 N A -1.3504
1337 A A -0.5130
1338 S A -0.6480
1339 C A -0.6457
1340 A A -0.0902
1341 A A -0.0584
1342 A A -0.1266
1343 P A -0.3125
1344 C A -0.6853
1345 L A -0.1967
1346 H A -1.2851
1347 R A -1.9152
1348 G A -1.3110
1349 S A -1.0503
1350 C A -1.2403
1351 R A -2.2258
1352 P A -1.1721
1353 A A -0.4638
1354 P A -0.0798
1355 L A 0.8288
1356 A A 0.1972
1357 P A -0.0115
1358 F A 0.0210
1359 F A 0.0000
1360 R A -1.2436
1361 C A -0.9758
1362 A A -0.8292
1363 C A -0.6653
1364 A A -0.9726
1365 Q A -1.4365
1366 G A -0.7411
1367 W A -0.5737
1368 T A -0.3889
1369 G A -0.4678
1370 P A -0.6006
1371 R A -0.5545
1372 C A 0.0000
1373 E A -0.6208
1374 A A -0.3966
1375 P A -0.4976
1376 A A -0.5469
1377 A A -0.4118
1378 A A -0.2274
1379 P A -0.5720
1380 E A -1.5394
1381 V A -0.1798
1382 S A -1.2105
1383 E A -2.3442
1384 E A -3.0255
1385 P A -2.1810
1386 R A -3.0137
1387 C A -2.0020
1388 P A -1.7735
1389 R A -2.0663
1390 A A -1.2188
1391 A A -1.4013
1392 C A 0.0000
1393 Q A -2.2526
1394 A A -1.7173
1395 K A -2.8193
1396 R A -3.4688
1397 G A -2.7597
1398 D A -2.8389
1399 Q A -3.1209
1400 R A -3.3066
1401 C A -2.2733
1402 D A -2.7958
1403 R A -3.2270
1404 E A -3.0198
1405 C A 0.0000
1406 N A -1.4881
1407 S A -1.1767
1408 P A -1.0756
1409 G A -1.6243
1410 C A -1.7142
1411 G A -0.7699
1412 W A 0.0000
1413 D A 0.0000
1414 G A -1.9940
1415 G A 0.0000
1416 D A -2.0804
1417 C A 0.0000
1418 S A 0.0000
1419 L A 0.0000
1420 S A -0.8707
1421 V A -0.6220
1422 G A -0.8008
1423 D A -1.4333
1424 P A 0.0000
1425 W A 0.0000
1426 R A -2.1206
1427 Q A -2.1670
1428 C A -1.4941
1429 E A -1.9215
1430 A A -0.5443
1431 L A 0.2398
1432 Q A -0.5373
1433 C A 0.0000
1434 W A -0.7330
1435 R A -1.8372
1436 L A -1.4250
1437 F A 0.0000
1438 N A -2.2675
1439 N A -1.6278
1440 S A -1.7056
1441 R A -2.2221
1442 C A -0.7379
1443 D A -0.7330
1444 P A -0.5090
1445 A A -0.3801
1446 C A 0.0000
1447 S A -0.2703
1448 S A -0.6772
1449 P A -0.7266
1450 A A -1.0407
1451 C A 0.0000
1452 L A 0.0000
1453 Y A 0.0000
1454 D A 0.0000
1455 N A -0.9553
1456 F A 0.0000
1457 D A -1.5618
1458 C A -0.5983
1459 H A -1.0544
1460 A A -1.0017
1461 G A -1.7010
1462 G A 0.0000
1463 R A -3.5280
1464 E A -3.6213
1465 R A -3.2034
1466 T A -2.0630
1467 C A 0.0000
1468 N A -0.9500
1469 P A 0.0118
1470 V A 1.3657
1471 Y A 0.4185
1472 E A -1.0202
1473 K A -1.7813
1474 Y A -0.5181
1475 C A 0.0000
1476 A A 0.0000
1477 D A -2.3148
1478 H A -1.8151
1479 F A 0.0000
1480 A A -1.2508
1481 D A -1.8920
1482 G A -1.7373
1483 R A -2.3277
1484 C A -1.2064
1485 D A -1.4878
1486 Q A -1.8409
1487 G A -1.1151
1488 C A 0.0000
1489 N A -0.8931
1490 T A -0.8658
1491 E A -0.5769
1492 E A -1.1979
1493 C A 0.0000
1494 G A 0.0000
1495 W A -0.3327
1496 D A 0.0000
1497 G A 0.0000
1498 L A 0.0000
1499 D A -1.3330
1500 C A -0.8066
1501 A A 0.0000
1502 S A -1.2240
1503 E A -1.7986
1504 V A -0.5117
1505 P A -0.1960
1506 A A 0.4795
1507 L A 1.4348
1508 L A 0.5170
1509 A A 0.0000
1510 R A -1.9541
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 0.9685
1519 L A 0.2983
1520 P A -0.1904
1521 P A -0.7752
1522 E A -2.7179
1523 E A -2.8829
1524 L A 0.0000
1525 L A -1.4116
1526 R A -2.6336
1527 S A -1.7006
1528 S A -1.1828
1529 A A -1.1632
1530 D A -1.3639
1531 F A 0.0000
1532 L A 0.0000
1533 Q A 0.0000
1534 R A -0.9534
1535 L A 0.0000
1536 S A 0.0000
1537 A A -0.4150
1538 I A -0.1238
1539 L A 0.0000
1540 R A -0.2611
1541 T A 0.0000
1542 S A 0.0000
1543 L A 0.0000
1544 R A -0.8165
1545 F A -0.2758
1546 R A -0.2825
1547 L A 0.2220
1548 D A -0.7107
1549 A A -0.7651
1550 H A -1.4638
1551 G A -1.2157
1552 Q A -1.3598
1553 A A -0.1250
1554 M A 0.5265
1555 V A 0.7794
1556 F A 1.3345
1557 P A 0.5117
1558 Y A 0.3652
1559 H A -0.8873
1560 R A -2.0064
1561 P A -1.4921
1562 S A -1.2700
1563 P A -1.1578
1564 G A -1.2935
1565 S A -1.7409
1566 E A -2.7688
1567 P A -2.4215
1568 R A -3.5579
1569 A A -2.8924
1570 R A -3.6287
1571 R A -3.4087
1572 E A -2.7100
1573 L A -0.3744
1574 A A -0.2057
1575 P A -0.7281
1576 E A -0.5692
1577 V A 0.6460
1578 I A 0.5412
1579 G A 0.0000
1580 S A 0.0000
1581 V A 0.8740
1582 V A 0.0000
1583 M A 0.1849
1584 L A 0.0000
1585 E A -0.7890
1586 I A 0.0000
1587 D A 0.0000
1588 N A 0.0000
1589 R A 0.5517
1590 L A 0.1581
1591 C A 0.0000
1592 L A 0.0214
1593 Q A -1.1828
1594 S A -1.2862
1595 P A -1.6463
1596 E A -2.4728
1597 N A 0.0000
1598 D A -2.3518
1599 H A -1.2456
1600 C A 0.0000
1601 F A 0.0000
1602 P A -0.7195
1603 D A -1.5824
1604 A A 0.0000
1605 Q A -1.2265
1606 S A -0.8300
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 -0.9644
1616 A A 0.0000
1617 V A -1.5741
1618 E A -2.7444
1619 R A -2.4157
1620 L A -1.4890
1621 D A -2.1906
1622 F A -0.8476
1623 P A -0.5887
1624 Y A -0.1662
1625 P A 0.0623
1626 L A 0.0445
1627 R A -0.8707
1628 D A -0.6814
1629 V A 0.0000
1630 R A -1.1609
1631 G A -1.3413
1632 E A -1.8153
1633 P A -1.5528
1634 L A -0.9463
1635 E A -2.1671
1636 P A -1.6270
1637 P A -1.7612
1638 E A -2.3022
1639 P A -0.9680
1640 S A 0.1987
1641 V A 1.8530
1642 P A 1.7155
1643 L A 2.9873
1644 L A 2.8300
1645 P A 2.0071
1646 L A 2.9536
1647 L A 3.5839
1648 V A 3.8121
1649 A A 2.7166
1650 G A 2.6271
1651 A A 3.7184
1652 V A 4.3610
1653 L A 4.7275
1654 L A 5.1292
1655 L A 5.3296
1656 V A 5.1889
1657 I A 5.6383
1658 L A 5.4095
1659 V A 4.7624
1660 L A 4.4744
1661 G A 3.5153
1662 V A 3.2629
1663 M A 2.3980
1664 V A 1.9029
1665 A A -0.0551
1666 R A -2.4468
1667 R A -3.5979
1668 K A -4.5529
1669 R A -4.7546
1670 E A -4.1246
1671 H A -2.5774
1672 S A -1.0132
1673 T A 0.6550
1674 L A 2.4488
1675 W A 2.5807
1676 F A 2.7921
1677 P A 0.8508
1678 E A -0.8347
1679 G A 0.0270
1680 F A 1.7700
1681 S A 0.6454
1682 L A 0.7288
1683 H A -1.1651
1684 K A -2.1247
1685 D A -1.8664
1686 V A 0.1639
1687 A A -0.2492
1688 S A -0.6814
1689 G A -1.2839
1690 H A -2.4404
1691 K A -3.3096
1692 G A -3.2291
1693 R A -4.0711
1694 R A -3.7627
1695 E A -3.0517
1696 P A -1.2353
1697 V A 0.2870
1698 G A -0.8702
1699 Q A -1.7706
1700 D A -1.8840
1701 A A -0.3992
1702 L A 0.7336
1703 G A 0.2718
1704 M A 0.0720
1705 K A -1.4884
1706 N A -1.3592
1707 M A -0.3324
1708 A A -0.7578
1709 K A -2.1171
1710 G A -2.4456
1711 E A -2.2767
1712 S A -0.2599
1713 L A 1.4883
1714 M A 1.0821
1715 G A -0.0566
1716 E A -0.9008
1717 V A 0.5874
1718 A A 0.1746
1719 T A -0.2808
1720 D A -0.7304
1721 W A 0.2786
1722 M A 0.2177
1723 D A -1.3001
1724 T A -1.4674
1725 E A -2.2168
1726 C A -0.8401
1727 P A -1.5280
1728 E A -2.7949
1729 A A -1.9460
1730 K A -3.0028
1731 R A -2.3772
1732 L A -0.3828
1733 K A -1.7226
1734 V A -0.3717
1735 E A -2.3445
1736 E A -2.6067
1737 P A -1.4309
1738 G A -1.0746
1739 M A -0.1724
1740 G A -1.2565
1741 A A -1.2199
1742 E A -2.3096
1743 E A -2.1077
1744 A A -0.6546
1745 V A 0.5277
1746 D A -0.5030
1747 C A 0.2536
1748 R A -1.0283
1749 Q A -1.3944
1750 W A -0.3144
1751 T A -0.8584
1752 Q A -0.5359
1753 H A -0.1870
1754 H A 0.0000
1755 L A 0.9291
1756 V A 1.2966
1757 A A 0.0000
1758 A A 0.0000
1759 D A -0.5757
1760 I A 0.9903
1761 R A -0.6038
1762 V A 0.9075
1763 A A 0.3499
1764 P A 0.2523
1765 A A 0.8290
1766 M A 1.5067
1767 A A 1.1680
1768 L A 1.6854
1769 T A 0.4481
1770 P A -0.5310
1771 P A -1.1465
1772 Q A -2.0481
1773 G A -2.2743
1774 D A -3.1739
1775 A A -2.4440
1776 D A -2.6870
1777 A A -2.1593
1778 D A -2.5699
1779 G A -1.7726
1780 M A -0.7425
1781 D A -1.8880
1782 V A 0.0000
1783 N A -1.4703
1784 V A -1.1072
1785 R A -1.5665
1786 G A 0.0000
1787 P A -1.0238
1788 D A -2.0040
1789 G A 0.0000
1790 F A -0.7957
1791 T A 0.0000
1792 P A 0.0000
1793 L A 0.0000
1794 M A 0.0000
1795 L A 0.4173
1796 A A 0.0000
1797 S A 0.0000
1798 F A 0.5235
1799 C A 0.1628
1800 G A -0.4823
1801 G A -0.2054
1802 A A 0.1200
1803 L A 0.6320
1804 E A -1.0516
1805 P A -0.2499
1806 M A 0.2862
1807 P A -1.6469
1808 T A -1.9462
1809 E A -3.4393
1810 E A -4.1052
1811 D A -4.3743
1812 E A -4.3374
1813 A A -3.2483
1814 D A -3.5595
1815 D A -2.9359
1816 T A -1.8135
1817 S A -1.3778
1818 A A -1.4031
1819 S A -1.3193
1820 I A -0.5604
1821 I A 0.0000
1822 S A -1.0137
1823 D A -1.7688
1824 L A 0.0000
1825 I A -0.6395
1826 C A -0.3698
1827 Q A -1.6849
1828 G A -1.4704
1829 A A 0.0000
1830 Q A -1.5964
1831 L A -1.0315
1832 G A -1.2376
1833 A A 0.0000
1834 R A -1.8511
1835 T A 0.0000
1836 D A -2.8399
1837 R A -2.1500
1838 T A -1.3963
1839 G A -1.6277
1840 E A -1.2727
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 -0.6960
1849 Y A 0.0481
1850 A A -0.3832
1851 R A 0.0000
1852 A A -0.8674
1853 D A -1.3687
1854 A A 0.0000
1855 A A 0.0000
1856 K A -1.9164
1857 R A -1.7577
1858 L A 0.0000
1859 L A -1.6603
1860 D A -2.2726
1861 A A -1.2723
1862 G A -1.5645
1863 A A -1.7493
1864 D A -2.2061
1865 T A 0.0000
1866 N A -1.7847
1867 A A 0.0000
1868 Q A -1.5506
1869 D A 0.0000
1870 H A -1.1457
1871 S A -0.4863
1872 G A -0.9370
1873 R A -0.9203
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 -0.3549
1882 A A -0.6115
1883 D A -1.0193
1884 A A 0.0000
1885 Q A -1.0783
1886 G A -0.8858
1887 V A 0.0000
1888 F A 0.0000
1889 Q A -0.9326
1890 I A -0.8453
1891 L A 0.0000
1892 I A -1.4928
1893 R A -2.3822
1894 N A -2.2073
1895 R A -2.7285
1896 S A -2.0547
1897 T A 0.0000
1898 D A -1.9719
1899 L A -1.5697
1900 D A -1.7861
1901 A A -1.4604
1902 R A -1.7904
1903 M A -1.1634
1904 A A -0.9468
1905 D A -1.3237
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 -0.0464
1916 L A 0.1009
1917 A A -0.1902
1918 V A 0.0000
1919 E A -1.2933
1920 G A -1.0955
1921 M A 0.0000
1922 V A 0.0000
1923 E A -2.1138
1924 E A -1.6135
1925 L A 0.0000
1926 I A -1.2621
1927 A A -0.9645
1928 S A -1.2270
1929 H A -1.5391
1930 A A 0.0000
1931 D A -1.7669
1932 V A -1.2737
1933 N A -1.0465
1934 A A -0.6498
1935 V A -0.2837
1936 D A 0.0000
1937 E A -1.7871
1938 L A -0.5378
1939 G A -0.6412
1940 K A -0.4795
1941 S A 0.0000
1942 A A 0.0000
1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.2266
1946 A A 0.0000
1947 A A 0.0000
1948 A A -0.2714
1949 V A 0.3488
1950 N A -0.7188
1951 N A 0.0000
1952 V A -0.6520
1953 E A -1.5406
1954 A A 0.0000
1955 T A 0.0000
1956 L A -0.7846
1957 A A 0.0000
1958 L A 0.0000
1959 L A -1.5484
1960 K A -2.2420
1961 N A -2.2445
1962 G A -1.8533
1963 A A 0.0000
1964 N A -1.8072
1965 K A -1.4274
1966 D A -1.3159
1967 M A -1.1034
1968 Q A -1.4855
1969 D A 0.0000
1970 S A -1.2276
1971 K A -1.6582
1972 E A -2.1313
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 -2.1523
1982 E A -1.9960
1983 G A -1.5019
1984 S A 0.0000
1985 Y A -1.2460
1986 E A -1.7946
1987 A A 0.0000
1988 A A 0.0000
1989 K A -2.0163
1990 L A -1.3329
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.9688
1994 H A -1.1071
1995 F A -0.8051
1996 A A 0.0000
1997 N A -1.5596
1998 R A -1.6060
1999 E A -2.1576
2000 I A -1.3440
2001 T A -1.4534
2002 D A 0.0000
2003 H A -1.9801
2004 L A -0.9083
2005 D A -1.3976
2006 R A -1.2878
2007 L A -1.1124
2008 P A 0.0000
2009 R A -2.8518
2010 D A -2.4106
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -3.2251
2014 E A -3.3338
2015 R A -3.0379
2016 L A -1.0476
2017 H A -2.1485
2018 Q A -2.4501
2019 D A -1.9940
2020 I A 0.0000
2021 V A 0.0000
2022 R A -3.4797
2023 L A 0.0000
2024 L A 0.0000
2025 D A -3.0676
2026 Q A -2.2670
2027 P A -1.6367
2028 S A -1.5779
2029 G A -1.3523
2030 P A -1.5494
2031 R A -2.1937
2032 S A -1.3174
2033 P A -1.2123
2034 P A -1.1842
2035 G A -1.1849
2036 P A -0.9662
2037 H A -1.2029
2038 G A -0.5420
2039 L A 1.0047
2040 G A 0.5337
2041 P A 1.2230
2042 L A 2.5238
2043 L A 2.4002
2044 C A 1.6540
2045 P A 0.5271
2046 P A 0.1946
2047 G A 0.1735
2048 A A 1.1345
2049 F A 2.4578
2050 L A 2.4939
2051 P A 1.0937
2052 G A 0.6408
2053 L A 0.7862
2054 K A -1.1502
2055 A A -0.7582
2056 A A -0.8891
2057 Q A -1.6274
2058 S A -1.2409
2059 G A -1.3649
2060 S A -1.8840
2061 K A -2.8136
2062 K A -3.0901
2063 S A -2.8902
2064 R A -3.3140
2065 R A -3.0200
2066 P A -2.0668
2067 P A -1.6569
2068 G A -1.7057
2069 K A -2.0949
2070 A A -0.8136
2071 G A -0.1975
2072 L A 1.0382
2073 G A -0.1846
2074 P A -0.8347
2075 Q A -1.7194
2076 G A -1.6862
2077 P A -1.9371
2078 R A -2.8192
2079 G A -2.6331
2080 R A -3.4564
2081 G A -2.7141
2082 K A -2.9080
2083 K A -1.9147
2084 L A 0.6353
2085 T A 0.8277
2086 L A 1.9540
2087 A A 1.2429
2088 C A 0.9953
2089 P A 0.2829
2090 G A -0.1211
2091 P A 0.0834
2092 L A 0.8798
2093 A A -0.2712
2094 D A -1.3908
2095 S A -0.4404
2096 S A 0.1850
2097 V A 1.7570
2098 T A 1.3653
2099 L A 2.0518
2100 S A 0.9037
2101 P A 0.3217
2102 V A 1.0261
2103 D A -0.9864
2104 S A -0.5299
2105 L A 0.2780
2106 D A -1.6633
2107 S A -1.2049
2108 P A -1.6763
2109 R A -1.9297
2110 P A -0.4058
2111 F A 1.0610
2112 G A 0.2670
2113 G A -0.4743
2114 P A -0.7193
2115 P A -0.5050
2116 A A -0.3451
2117 S A -0.4720
2118 P A -0.4800
2119 G A -0.4385
2120 G A 0.3143
2121 F A 1.6491
2122 P A 0.7580
2123 L A 0.8342
2124 E A -1.2161
2125 G A -0.8699
2126 P A -0.1368
2127 Y A 1.1368
2128 A A 0.7651
2129 A A 0.3800
2130 A A 0.0738
2131 T A -0.0118
2132 A A 0.0108
2133 T A 0.3726
2134 A A 0.8533
2135 V A 2.0441
2136 S A 1.4391
2137 L A 1.6218
2138 A A 0.7551
2139 Q A -0.1605
2140 L A 0.5959
2141 G A -0.1427
2142 G A -0.6088
2143 P A -1.2548
2144 G A -1.6904
2145 R A -2.2238
2146 A A -0.8795
2147 G A -0.1676
2148 L A 0.6701
2149 G A -0.9842
2150 R A -2.3818
2151 Q A -2.4847
2152 P A -1.5706
2153 P A -0.8844
2154 G A -0.5939
2155 G A 0.3026
2156 C A 1.6622
2157 V A 2.8499
2158 L A 2.8959
2159 S A 2.0004
2160 L A 2.6231
2161 G A 1.4715
2162 L A 2.1011
2163 L A 1.9660
2164 N A 0.2441
2165 P A 0.9458
2166 V A 2.0360
2167 A A 1.6809
2168 V A 2.3413
2169 P A 1.2870
2170 L A 1.4157
2171 D A -0.5033
2172 W A 0.4323
2173 A A -0.3388
2174 R A -1.0538
2175 L A 0.5816
2176 P A -0.1549
2177 P A -0.3195
2178 P A -0.3317
2179 A A -0.4290
2180 P A -0.6061
2181 P A -0.7126
2182 G A -0.5633
2183 P A 0.0892
2184 S A 1.0779
2185 F A 2.9220
2186 L A 3.3146
2187 L A 3.1665
2188 P A 1.9097
2189 L A 1.9290
2190 A A 0.6743
2191 P A -0.3047
2192 G A -0.7318
2193 P A -0.8417
2194 Q A -0.3500
2195 L A 1.4884
2196 L A 1.4799
2197 N A -0.4432
2198 P A -0.8783
2199 G A -0.7857
2200 T A -0.0635
2201 P A 0.3771
2202 V A 1.2774
2203 S A 0.0506
2204 P A -1.2072
2205 Q A -2.6085
2206 E A -3.5254
2207 R A -3.1983
2208 P A -1.9583
2209 P A -0.6520
2210 P A 0.5549
2211 Y A 1.9225
2212 L A 2.5516
2213 A A 1.9810
2214 V A 1.8887
2215 P A 0.0886
2216 G A -0.7619
2217 H A -1.9462
2218 G A -2.4417
2219 E A -3.0093
2220 E A -2.3555
2221 Y A -0.0735
2222 P A 0.0979
2223 A A 0.1319
2224 A A -0.1787
2225 G A -0.6512
2226 A A -0.6860
2227 H A -1.2250
2228 S A -0.9335
2229 S A -0.7185
2230 P A -0.8574
2231 P A -1.4507
2232 K A -2.2897
2233 A A -1.3927
2234 R A -0.9914
2235 F A 1.7278
2236 L A 1.7688
2237 R A 0.1579
2238 V A 1.0481
2239 P A -0.2743
2240 S A -1.1077
2241 E A -2.3666
2242 H A -1.8040
2243 P A -0.1615
2244 Y A 1.7267
2245 L A 2.0336
2246 T A 0.8800
2247 P A -0.3196
2248 S A -0.8178
2249 P A -1.5501
2250 E A -2.4285
2251 S A -1.9754
2252 P A -1.9282
2253 E A -2.4874
2254 H A -1.4039
2255 W A 0.2055
2256 A A 0.0479
2257 S A -0.2133
2258 P A -0.4225
2259 S A -0.5993
2260 P A -0.4586
2261 P A -0.2238
2262 S A 0.2657
2263 L A 0.9784
2264 S A -0.0667
2265 D A -1.1873
2266 W A -0.1739
2267 S A -0.9976
2268 E A -1.9650
2269 S A -1.2761
2270 T A -0.8827
2271 P A -0.6949
2272 S A -0.4981
2273 P A -0.4172
2274 A A -0.1706
2275 T A -0.1876
2276 A A -0.1344
2277 T A -0.2666
2278 G A -0.2088
2279 A A 0.3457
2280 M A 0.9843
2281 A A 0.4974
2282 T A 0.1383
2283 T A -0.2256
2284 T A -0.3425
2285 G A -0.1573
2286 A A 0.5246
2287 L A 1.3499
2288 P A 0.2941
2289 A A -0.4465
2290 Q A -1.0029
2291 P A -0.1181
2292 L A 1.3456
2293 P A 1.2327
2294 L A 1.9703
2295 S A 1.3606
2296 V A 1.8013
2297 P A 0.4138
2298 S A 0.2425
2299 S A 0.4989
2300 L A 1.1541
2301 A A 0.1146
2302 Q A -1.0639
2303 A A -1.1875
2304 Q A -1.7174
2305 T A -0.9740
2306 Q A -0.8075
2307 L A 0.6334
2308 G A -0.3392
2309 P A -0.8288
2310 Q A -1.7851
2311 P A -1.3783
2312 E A -1.3539
2313 V A 0.5951
2314 T A -0.0819
2315 P A -1.4219
2316 K A -2.8356
2317 R A -2.7186
2318 Q A -1.3207
2319 V A 1.3094
2320 L A 1.9885
2321 A A 1.2149
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 -0.0464 7.2905 View CSV PDB
4.5 -0.1284 7.2044 View CSV PDB
5.0 -0.2281 7.0909 View CSV PDB
5.5 -0.3317 6.994 View CSV PDB
6.0 -0.4269 6.994 View CSV PDB
6.5 -0.5057 6.994 View CSV PDB
7.0 -0.5672 6.994 View CSV PDB
7.5 -0.6168 6.994 View CSV PDB
8.0 -0.6586 6.994 View CSV PDB
8.5 -0.691 6.994 View CSV PDB
9.0 -0.7104 6.994 View CSV PDB