Project name: R1076C_5

Status: done

Started: 2026-05-22 01:16:44
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGCTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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.  (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:17:02)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/44138c61b5b4e48/tmp/folded.pdb                (00:17:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:33:58)
Show buried residues

Minimal score value
-2.6776
Maximal score value
2.418
Average score
-0.2728
Total score value
-633.0712

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 0.9674
2 G A -0.3193
3 P A -0.4307
4 G A -0.5045
5 A A -0.4561
6 R A -1.9229
7 G A -1.1744
8 R A -2.3167
9 R A -2.6776
10 R A -2.6162
11 R A -2.5989
12 R A -2.5901
13 R A -2.2046
14 P A -0.4231
15 M A 0.9778
16 S A -0.0640
17 P A -0.3465
18 P A -0.3543
19 P A -0.3491
20 P A -0.3566
21 P A -0.3565
22 P A -0.3507
23 P A 0.0540
24 V A 1.3876
25 R A -1.5092
26 A A 0.0024
27 L A 1.5065
28 P A 0.3545
29 L A 1.7833
30 L A 2.1139
31 L A 2.1159
32 L A 2.1418
33 L A 1.8665
34 A A 0.2528
35 G A -0.5019
36 P A -0.4269
37 G A -0.5032
38 A A -0.0170
39 A A 0.0800
40 A A 0.0342
41 P A -0.2086
42 P A -0.1483
43 C A 0.3871
44 L A 1.2440
45 D A -1.5908
46 G A -0.8318
47 S A -0.3034
48 P A -0.0531
49 C A -0.0740
50 A A -0.1206
51 N A -0.9505
52 G A -0.6238
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1520
57 Q A -0.5552
58 L A 0.7584
59 P A -0.1200
60 S A -0.5604
61 R A -2.2125
62 E A -2.1577
63 A A -0.4149
64 A A 0.0266
65 C A 0.3720
66 L A 1.6065
67 C A 0.5091
68 P A -0.0706
69 P A -0.2803
70 G A -0.0930
71 W A 0.0622
72 V A 0.2864
73 G A -0.3589
74 E A -2.0301
75 R A -1.4172
76 C A 0.0000
77 Q A -0.5609
78 L A -0.1833
79 E A -1.7805
80 D A -0.5890
81 P A -0.0712
82 C A -0.0775
83 H A -1.0093
84 S A -0.4770
85 G A -0.5156
86 P A -0.1319
87 C A -0.0024
88 A A -0.0353
89 G A -0.7467
90 R A -1.9307
91 G A -0.0469
92 V A 1.7835
93 C A 0.2932
94 Q A -0.8996
95 S A -0.1851
96 S A -0.1087
97 V A 0.8839
98 V A 1.8934
99 A A 0.2985
100 G A -0.4649
101 T A -0.1347
102 A A 0.0000
103 R A -1.6001
104 F A 0.2358
105 S A -0.0844
106 C A -0.2864
107 R A -1.7866
108 C A -0.1431
109 P A -0.3697
110 R A -1.8573
111 G A 0.0000
112 F A 0.9290
113 R A -0.2480
114 G A -0.2593
115 P A -0.3964
116 D A -0.6876
117 C A 0.0000
118 S A -0.0676
119 L A 0.6516
120 P A -0.0290
121 D A -0.2988
122 P A -0.0663
123 C A 0.2909
124 L A 1.2180
125 S A -0.0239
126 S A -0.2591
127 P A -0.0697
128 C A 0.0678
129 A A -0.1210
130 H A -0.8734
131 G A -0.6068
132 A A -0.3904
133 R A -1.8050
134 C A -0.1713
135 S A -0.0296
136 V A 0.6809
137 G A 0.0188
138 P A -0.5903
139 D A -1.8480
140 G A -0.7197
141 R A -1.7752
142 F A 0.3229
143 L A 1.3718
144 C A 0.2969
145 S A -0.1536
146 C A 0.1965
147 P A -0.0707
148 P A -0.2763
149 G A -0.0791
150 Y A -0.1711
151 Q A -1.2568
152 G A -1.0320
153 R A -1.9386
154 S A -0.3672
155 C A 0.0000
156 R A -1.8836
157 S A -0.6993
158 D A -0.7414
159 V A 0.0500
160 D A -0.5103
161 E A -0.8051
162 C A -0.3396
163 R A -1.4985
164 V A 1.3992
165 G A -0.2134
166 E A -1.8685
167 P A -0.3889
168 C A 0.0000
169 R A -1.9941
170 H A -1.2438
171 G A -0.6245
172 G A -0.1229
173 T A -0.0579
174 C A 0.2449
175 L A 0.5743
176 N A -0.3760
177 T A -0.1075
178 P A -0.2694
179 G A -0.1545
180 S A -0.0859
181 F A -0.0334
182 R A -1.7497
183 C A -0.4594
184 Q A -1.1401
185 C A -0.0245
186 P A -0.0511
187 A A 0.0233
188 G A -0.0031
189 Y A 0.3454
190 T A 0.0215
191 G A -0.2238
192 P A -0.2121
193 L A 0.3710
194 C A 0.0000
195 E A -0.7148
196 N A -1.2858
197 P A -0.4024
198 A A 0.3237
199 V A 1.6891
200 P A 0.3100
201 C A 0.1359
202 A A -0.0095
203 P A -0.2679
204 S A -0.1798
205 P A -0.0677
206 C A -0.2737
207 R A -1.8438
208 N A -1.2690
209 G A -0.6315
210 G A -0.1150
211 T A -0.0607
212 C A -0.2482
213 R A -2.0522
214 Q A -1.5231
215 S A -0.4089
216 G A -0.5238
217 D A -1.6054
218 L A 0.8478
219 T A 0.2135
220 Y A -0.1245
221 D A -1.7104
222 C A 0.0000
223 A A 0.0690
224 C A 0.3837
225 L A 0.8854
226 P A -0.1026
227 G A -0.2928
228 F A -0.1668
229 E A -1.8111
230 G A -0.7394
231 Q A -1.2687
232 N A -0.4113
233 C A 0.0000
234 E A -0.6673
235 V A 0.9075
236 N A 0.0029
237 V A 0.5080
238 D A -1.7708
239 D A -1.1415
240 C A -0.1027
241 P A -0.3242
242 G A -0.6002
243 H A -0.9018
244 R A -1.9318
245 C A 0.0000
246 L A 1.2402
247 N A -0.6406
248 G A -0.6204
249 G A -0.1214
250 T A -0.0619
251 C A 0.2897
252 V A 0.9808
253 D A -0.4672
254 G A 0.1281
255 V A 1.5243
256 N A -0.9710
257 T A -0.2390
258 Y A -0.1169
259 N A -1.2169
260 C A -0.3642
261 Q A -1.1529
262 C A -0.0747
263 P A -0.0684
264 P A -0.3856
265 E A -0.7113
266 W A -0.0298
267 T A -0.0603
268 G A -0.4714
269 Q A -1.1951
270 F A 0.0511
271 C A 0.0000
272 T A -0.3710
273 E A -1.9132
274 D A -0.7539
275 V A -0.0922
276 D A -1.0105
277 E A -0.3001
278 C A -0.1549
279 Q A -0.8955
280 L A 1.0806
281 Q A -0.9628
282 P A -0.7000
283 N A -1.3176
284 A A -0.2222
285 C A 0.0000
286 H A -1.0718
287 N A -1.0604
288 G A -0.6222
289 G A -0.1276
290 T A -0.0440
291 C A 0.4802
292 F A 1.8453
293 N A -0.2253
294 T A 0.0889
295 L A 1.5057
296 G A 0.0338
297 G A -0.1768
298 H A -0.4761
299 S A -0.2444
300 C A 0.3994
301 V A 1.8247
302 C A 0.6747
303 V A 0.7207
304 N A -1.1048
305 G A 0.0000
306 W A 0.1235
307 T A -0.0392
308 G A -0.5731
309 E A -1.8721
310 S A -0.3776
311 C A 0.0000
312 S A -0.4313
313 Q A -1.3093
314 N A -0.4236
315 I A 0.5207
316 D A -1.7043
317 D A -0.7663
318 C A 0.0533
319 A A 0.0683
320 T A -0.0584
321 A A 0.3095
322 V A 1.6460
323 C A 0.6239
324 F A 0.8122
325 H A -0.8981
326 G A -0.6437
327 A A -0.0606
328 T A -0.0362
329 C A 0.0869
330 H A -0.4239
331 D A -0.7612
332 R A -1.7169
333 V A 0.7448
334 A A 0.2055
335 S A -0.0291
336 F A 0.4887
337 Y A 1.1788
338 C A 0.0000
339 A A 0.0750
340 C A 0.2590
341 P A 0.1363
342 M A 1.0150
343 G A -0.0453
344 K A -0.7860
345 T A -0.1071
346 G A 0.2116
347 L A 1.5904
348 L A 0.5772
349 C A 0.0000
350 H A -0.4115
351 L A -0.1671
352 D A -1.8844
353 D A -0.8162
354 A A -0.0472
355 C A 0.4011
356 V A 1.6530
357 S A -0.1352
358 N A -1.3347
359 P A -0.3473
360 C A 0.0073
361 H A -0.5910
362 E A -2.1930
363 D A -2.1168
364 A A 0.0760
365 I A 2.0418
366 C A 0.2056
367 D A -1.7617
368 T A 0.0000
369 N A 0.0000
370 P A 0.2040
371 V A 1.5230
372 N A -0.9669
373 G A -0.6467
374 R A -1.8584
375 A A -0.2910
376 I A 0.2705
377 C A 0.1399
378 T A -0.0175
379 C A 0.1788
380 P A -0.0362
381 P A -0.2755
382 G A -0.0707
383 F A 0.1895
384 T A -0.0003
385 G A -0.2938
386 G A -0.4996
387 A A -0.0480
388 C A 0.0000
389 D A -2.0066
390 Q A -1.5859
391 D A -0.4761
392 V A 0.0057
393 D A -1.3380
394 E A -1.1309
395 C A -0.0365
396 S A 0.1831
397 I A 1.8878
398 G A -0.0834
399 A A -0.2389
400 N A -1.1477
401 P A -0.2370
402 C A 0.0000
403 E A -1.6657
404 H A -0.3853
405 L A 1.4802
406 G A 0.0000
407 R A -1.9699
408 C A 0.0000
409 V A 0.5132
410 N A -0.2346
411 T A -0.2876
412 Q A -1.2198
413 G A -0.3361
414 S A -0.0821
415 F A 0.6238
416 L A 1.5579
417 C A 0.0000
418 Q A -1.3488
419 C A -0.0154
420 G A -0.4229
421 R A -1.8757
422 G A -0.1357
423 Y A 0.1050
424 T A -0.0453
425 G A -0.2104
426 P A -0.3535
427 R A -1.1569
428 C A 0.0000
429 E A -0.2385
430 T A -0.1135
431 D A -0.1921
432 V A 0.4100
433 N A -0.4500
434 E A -0.7604
435 C A 0.2512
436 L A 1.5272
437 S A -0.0143
438 G A -0.5107
439 P A -0.1004
440 C A -0.1703
441 R A -1.9411
442 N A -1.1685
443 Q A -1.3072
444 A A -0.1997
445 T A -0.0427
446 C A 0.1870
447 L A 0.2791
448 D A 0.0000
449 R A -0.1981
450 I A 1.9252
451 G A 0.0000
452 Q A -1.1831
453 F A 0.1032
454 T A 0.0439
455 C A 0.4564
456 I A 2.0663
457 C A 0.6775
458 M A 0.5205
459 A A 0.1452
460 G A 0.0000
461 F A -0.0383
462 T A -0.0503
463 G A -0.2565
464 T A 0.0111
465 Y A 0.6873
466 C A 0.0000
467 E A -0.6083
468 V A 0.6490
469 D A -1.3381
470 I A 0.5839
471 D A -1.3632
472 E A -1.2607
473 C A -0.3140
474 Q A -1.2212
475 S A -0.4686
476 S A -0.2589
477 P A -0.0686
478 C A 0.2632
479 V A 0.9421
480 N A -0.7948
481 G A -0.6413
482 G A 0.2009
483 V A 1.7859
484 C A 0.2175
485 K A -1.6916
486 D A -2.3011
487 R A -1.7788
488 V A 1.2012
489 N A -0.9710
490 G A -0.2398
491 F A 0.1780
492 S A 0.0888
493 C A 0.0989
494 T A 0.0048
495 C A 0.1338
496 P A -0.1044
497 S A -0.2405
498 G A -0.2984
499 F A 0.0032
500 S A 0.0295
501 G A -0.3926
502 S A -0.2764
503 T A -0.0429
504 C A 0.0000
505 Q A -0.9569
506 L A 0.7716
507 D A -1.3991
508 V A -0.0663
509 D A -1.8275
510 E A -1.1264
511 C A -0.0408
512 A A 0.0376
513 S A -0.2150
514 T A -0.1092
515 P A 0.0000
516 C A 0.0000
517 R A -1.6681
518 N A -1.3246
519 G A -0.6375
520 A A -0.3542
521 K A -1.6989
522 C A 0.0000
523 V A 0.3010
524 D A -1.7872
525 Q A -1.3678
526 P A -0.7553
527 D A -1.8631
528 G A -0.4375
529 Y A -0.0316
530 E A -1.4486
531 C A -0.5502
532 R A -1.7811
533 C A -0.0782
534 A A -0.2548
535 E A -1.8155
536 G A 0.0000
537 F A -0.0903
538 E A -1.5377
539 G A -0.6387
540 T A -0.0578
541 L A 0.4124
542 C A 0.0000
543 D A -2.1249
544 R A -2.2356
545 N A -0.5492
546 V A 0.2520
547 D A -1.8031
548 D A -1.0304
549 C A -0.2589
550 S A -0.2628
551 P A -0.6334
552 D A -1.8277
553 P A -0.3574
554 C A 0.0000
555 H A -1.0749
556 H A -0.6688
557 G A -0.4922
558 R A -1.8448
559 C A -0.0463
560 V A 0.9248
561 D A -0.5776
562 G A 0.0459
563 I A 1.9925
564 A A 0.3748
565 S A -0.0749
566 F A 0.3550
567 S A -0.0981
568 C A 0.0699
569 A A -0.1006
570 C A 0.2284
571 A A 0.0090
572 P A -0.2503
573 G A 0.0000
574 Y A 0.0024
575 T A -0.0600
576 G A -0.2814
577 T A -0.3056
578 R A -1.0578
579 C A 0.0000
580 E A -1.7977
581 S A -0.6749
582 Q A -1.0664
583 V A 0.2304
584 D A -1.3842
585 E A -0.5218
586 C A -0.2730
587 R A -1.8634
588 S A -0.7625
589 Q A -1.2417
590 P A -0.2297
591 C A -0.2930
592 R A -1.8993
593 H A -0.9930
594 G A -0.5796
595 G A -0.4124
596 K A -1.6978
597 C A -0.1588
598 L A 0.1873
599 D A -1.5310
600 L A 0.5813
601 V A 1.5923
602 D A -1.7653
603 K A -1.8619
604 Y A 0.1382
605 L A 1.3434
606 C A -0.0353
607 R A -1.7826
608 C A -0.0954
609 P A -0.0959
610 S A -0.2425
611 G A -0.2579
612 T A 0.0000
613 T A 0.0316
614 G A 0.0874
615 V A 1.6977
616 N A 0.1411
617 C A 0.0000
618 E A -0.4720
619 V A 0.9232
620 N A -0.0688
621 I A 1.2458
622 D A -1.6553
623 D A -1.3072
624 C A 0.0000
625 A A 0.0200
626 S A -0.4264
627 N A -1.3205
628 P A -0.2748
629 C A 0.1415
630 T A 0.1527
631 F A 1.1606
632 G A 0.2713
633 V A 1.2509
634 C A 0.0060
635 R A -1.9183
636 D A -0.7489
637 G A -0.2920
638 I A 0.2901
639 N A -1.5119
640 R A -1.9556
641 Y A -0.0182
642 D A -1.6459
643 C A -0.0918
644 V A 0.8481
645 C A 0.1078
646 Q A -1.0835
647 P A -0.4612
648 G A -0.1346
649 F A -0.1130
650 T A -0.0354
651 G A -0.1988
652 P A -0.1470
653 L A 0.7093
654 C A 0.0000
655 N A -0.9625
656 V A 1.1748
657 E A -1.2858
658 I A 0.5525
659 N A -1.2465
660 E A -1.2215
661 C A -0.0514
662 A A 0.0424
663 S A -0.2403
664 S A -0.2643
665 P A -0.1000
666 C A 0.0328
667 G A -0.5146
668 E A -1.9410
669 G A -0.8175
670 G A -0.1814
671 S A -0.2001
672 C A 0.2423
673 V A 0.4585
674 D A -0.7058
675 G A -0.7409
676 E A -2.0943
677 N A -1.6362
678 G A -0.2604
679 F A 0.1710
680 R A -1.7079
681 C A 0.0310
682 L A 1.4980
683 C A 0.5444
684 P A -0.0780
685 P A -0.3547
686 G A -0.5181
687 S A -0.0365
688 L A 0.4003
689 P A -0.2408
690 P A -0.1537
691 L A 0.8874
692 C A 0.0000
693 L A 0.1857
694 P A -0.2523
695 P A -0.3022
696 S A -0.3010
697 H A -0.3198
698 P A -0.1108
699 C A 0.0894
700 A A -0.1505
701 H A -1.3033
702 E A -1.9958
703 P A -0.3290
704 C A 0.0290
705 S A -0.2645
706 H A -0.4263
707 G A 0.1590
708 I A 2.0034
709 C A 0.6234
710 Y A 0.3954
711 D A -1.3323
712 A A -0.3079
713 P A -0.3380
714 G A -0.5388
715 G A -0.0890
716 F A 0.4224
717 R A -1.5523
718 C A 0.1114
719 V A 1.8255
720 C A 0.2639
721 E A -1.2472
722 P A -0.5516
723 G A -0.4062
724 W A 0.2462
725 S A -0.0320
726 G A -0.2247
727 P A -0.6113
728 R A -1.8797
729 C A 0.0000
730 S A -0.4244
731 Q A -1.2743
732 S A -0.1233
733 L A 1.5208
734 A A 0.0059
735 R A -2.1471
736 D A -2.1095
737 A A -0.2935
738 C A -0.2378
739 E A -1.8450
740 S A -0.7564
741 Q A -1.2402
742 P A -0.2277
743 C A -0.3194
744 R A -1.8194
745 A A -0.3555
746 G A -0.4674
747 G A -0.1446
748 T A -0.0572
749 C A 0.0962
750 S A -0.2054
751 S A -0.3178
752 D A -1.8915
753 G A -0.6013
754 M A 0.9508
755 G A 0.2784
756 F A 0.7996
757 H A -0.7882
758 C A -0.0779
759 T A -0.0304
760 C A 0.0846
761 P A -0.1134
762 P A -0.2880
763 G A -0.1426
764 V A 0.0000
765 Q A -0.5260
766 G A -0.5453
767 R A -1.9435
768 Q A -0.7541
769 C A 0.0000
770 E A -0.7456
771 L A 0.8030
772 L A 1.6674
773 S A 0.2295
774 P A -0.0744
775 C A -0.0642
776 T A -0.2473
777 P A -0.5036
778 N A -1.3177
779 P A -0.2975
780 C A 0.0000
781 E A -1.9596
782 H A -1.1892
783 G A -0.6063
784 G A 0.0000
785 R A -1.8263
786 C A -0.5855
787 E A -1.8148
788 S A -0.4017
789 A A -0.0295
790 P A -0.3356
791 G A -0.7305
792 Q A -0.9973
793 L A 1.3218
794 P A 0.5724
795 V A 1.7678
796 C A 0.0000
797 S A -0.1714
798 C A 0.1688
799 P A -0.2824
800 Q A -1.2173
801 G A 0.0000
802 W A -0.0521
803 Q A -0.8092
804 G A -0.4094
805 P A -0.3641
806 R A -0.4378
807 C A 0.0000
808 Q A -0.6669
809 Q A -1.3799
810 D A -0.6665
811 V A 0.0600
812 D A -1.3236
813 E A -0.5944
814 C A 0.1008
815 A A 0.0187
816 G A -0.4125
817 P A -0.3129
818 A A 0.0040
819 P A -0.0357
820 C A 0.0000
821 G A -0.1650
822 P A -0.3464
823 H A -0.4509
824 G A 0.2184
825 I A 1.8347
826 C A 0.4816
827 T A -0.1054
828 N A -0.2278
829 L A 0.6739
830 A A 0.1845
831 G A 0.0000
832 S A 0.1263
833 F A 0.5162
834 S A -0.0061
835 C A 0.1163
836 T A -0.0125
837 C A -0.0266
838 H A -1.0419
839 G A -0.6552
840 G A -0.1962
841 Y A 0.0318
842 T A -0.0451
843 G A -0.2683
844 P A -0.3139
845 S A -0.1573
846 C A 0.0000
847 D A -1.9820
848 Q A -1.5590
849 D A -0.9195
850 I A 0.6120
851 N A -1.2215
852 D A -0.9653
853 C A -0.3890
854 D A -1.8790
855 P A -0.8234
856 N A -0.6085
857 P A -0.1036
858 C A 0.0000
859 L A 0.3319
860 N A -0.1572
861 G A -0.1879
862 G A 0.0000
863 S A -0.1872
864 C A -0.1095
865 Q A -1.2582
866 D A -0.6551
867 G A 0.0206
868 V A 1.6525
869 G A -0.1895
870 S A -0.1924
871 F A 0.4150
872 S A -0.0924
873 C A 0.0461
874 S A -0.1501
875 C A 0.3379
876 L A 0.7829
877 P A -0.1223
878 G A -0.0572
879 F A 0.0671
880 A A 0.0047
881 G A -0.3458
882 P A -0.5318
883 R A -1.2930
884 C A 0.0000
885 A A -0.2786
886 R A -2.0329
887 D A -1.2457
888 V A 0.4971
889 D A -0.4458
890 E A -0.4175
891 C A 0.3033
892 L A 1.5247
893 S A -0.1590
894 N A -1.3189
895 P A -0.2730
896 C A 0.0000
897 G A -0.5117
898 P A -0.3517
899 G A -0.1134
900 T A -0.0619
901 C A 0.1049
902 T A -0.3474
903 D A -1.7759
904 H A -0.4090
905 V A 0.1915
906 A A 0.0515
907 S A 0.0358
908 F A 0.1317
909 T A 0.0000
910 C A 0.0000
911 T A -0.0420
912 C A 0.1182
913 P A -0.0924
914 P A -0.2771
915 G A -0.2576
916 Y A 0.0554
917 G A -0.1240
918 G A -0.0085
919 F A 0.4725
920 H A -0.5030
921 C A 0.0000
922 E A -1.9540
923 Q A -1.7023
924 D A -1.7874
925 L A 0.5214
926 P A -0.1430
927 D A -0.2990
928 C A 0.1170
929 S A 0.0000
930 P A -0.2609
931 S A -0.0790
932 S A 0.0000
933 C A 0.0000
934 F A 0.1191
935 N A -0.7670
936 G A -0.4453
937 G A -0.0946
938 T A -0.0548
939 C A 0.3278
940 V A 0.7964
941 D A -1.0058
942 G A -0.1560
943 V A 1.4302
944 N A -1.0119
945 S A -0.3579
946 F A 0.3532
947 S A -0.0894
948 C A 0.3535
949 L A 1.6089
950 C A 0.1788
951 R A -1.8459
952 P A -0.6642
953 G A -0.3686
954 Y A 0.1588
955 T A -0.0034
956 G A -0.1871
957 A A -0.0045
958 H A -0.1477
959 C A 0.0000
960 Q A -0.2215
961 H A -0.7551
962 E A -1.4133
963 A A -0.3453
964 D A -0.9051
965 P A -0.2340
966 C A 0.3402
967 L A 1.5234
968 S A -0.2576
969 R A -1.8870
970 P A -0.3514
971 C A 0.1537
972 L A 0.7384
973 H A -0.6948
974 G A -0.6153
975 G A 0.2113
976 V A 1.7862
977 C A 0.4445
978 S A -0.1151
979 A A 0.1407
980 A A -0.0664
981 H A -1.0590
982 P A -0.5748
983 G A -0.1548
984 F A 0.4369
985 R A -1.6794
986 C A -0.2343
987 T A -0.0104
988 C A 0.3585
989 L A 0.8391
990 E A -1.6487
991 S A -0.4379
992 F A 0.5646
993 T A -0.0148
994 G A -0.1922
995 P A -0.3741
996 Q A -0.5625
997 C A 0.0000
998 Q A -0.9477
999 T A 0.0458
1000 L A 1.6232
1001 V A 0.4616
1002 D A -1.2856
1003 W A -0.0337
1004 C A 0.0933
1005 S A -0.5298
1006 R A -2.0974
1007 Q A -1.5383
1008 P A -0.2513
1009 C A -0.0979
1010 Q A -1.2696
1011 N A -0.7918
1012 G A -0.5654
1013 G A -0.4534
1014 R A -1.7333
1015 C A -0.1903
1016 V A 0.1823
1017 Q A -0.3318
1018 T A -0.2221
1019 G A -0.4776
1020 A A 0.0474
1021 Y A 0.6874
1022 C A 0.0000
1023 L A 0.8270
1024 C A 0.3844
1025 P A -0.0799
1026 P A -0.3002
1027 G A -0.1779
1028 W A 0.0329
1029 S A -0.0148
1030 G A -0.4931
1031 R A -1.8196
1032 L A -0.0260
1033 C A 0.0000
1034 D A -0.6650
1035 I A 0.0000
1036 R A -1.3870
1037 S A -0.2435
1038 L A 0.3504
1039 P A 0.0345
1040 C A 0.0000
1041 R A -2.1419
1042 E A -1.9747
1043 A A 0.0000
1044 A A 0.0000
1045 A A -0.2067
1046 Q A -0.8259
1047 I A 1.7129
1048 G A 0.0169
1049 V A 0.1937
1050 R A -1.6108
1051 L A -0.0068
1052 E A -1.9174
1053 Q A -1.5247
1054 L A 0.0000
1055 C A 0.0000
1056 Q A -1.1878
1057 A A -0.2406
1058 G A -0.4560
1059 G A 0.0000
1060 Q A -1.1851
1061 C A -0.0270
1062 V A 0.3672
1063 D A -1.6138
1064 E A -2.3997
1065 D A -2.1605
1066 S A -0.5401
1067 S A -0.0260
1068 H A 0.0000
1069 Y A 0.6922
1070 C A 0.4487
1071 V A 1.3631
1072 C A 0.3958
1073 P A -0.4163
1074 E A -1.8575
1075 G A -0.3199
1076 C A -0.1862
1077 T A -0.0362
1078 G A -0.1385
1079 S A -0.0778
1080 H A -0.1896
1081 C A 0.0000
1082 E A -1.0472
1083 Q A -1.4545
1084 E A -1.8376
1085 V A 0.2317
1086 D A -1.1366
1087 P A -0.3033
1088 C A 0.0000
1089 L A 1.5584
1090 A A 0.1279
1091 Q A -1.1943
1092 P A -0.2377
1093 C A -0.1351
1094 Q A -0.9826
1095 H A -0.9312
1096 G A -0.5998
1097 G A -0.1167
1098 T A -0.0529
1099 C A 0.0000
1100 R A -1.6200
1101 G A -0.1873
1102 Y A 1.4642
1103 M A 1.2077
1104 G A -0.3051
1105 G A -0.1361
1106 Y A 0.6223
1107 M A 0.5058
1108 C A -0.1966
1109 E A -1.7672
1110 C A 0.0365
1111 L A 0.8447
1112 P A -0.1130
1113 G A 0.1142
1114 Y A -0.3045
1115 N A -1.4899
1116 G A -0.9051
1117 D A -1.9186
1118 N A -0.6791
1119 C A 0.0000
1120 E A -1.8418
1121 D A -2.5209
1122 D A -1.9903
1123 V A -0.0530
1124 D A -1.8240
1125 E A -1.1241
1126 C A 0.0000
1127 A A 0.0201
1128 S A -0.4153
1129 Q A -1.2433
1130 P A -0.2414
1131 C A -0.0368
1132 Q A -0.9198
1133 H A -0.6134
1134 G A -0.5448
1135 G A -0.1823
1136 S A -0.1738
1137 C A 0.1134
1138 I A 0.0000
1139 D A -1.7095
1140 L A 0.1924
1141 V A 1.7453
1142 A A -0.0060
1143 R A -1.7690
1144 Y A -0.1163
1145 L A 0.3247
1146 C A 0.0000
1147 S A 0.0000
1148 C A 0.0000
1149 P A -0.0930
1150 P A -0.1189
1151 G A -0.1787
1152 T A 0.0000
1153 L A 0.5974
1154 G A 0.2280
1155 V A 1.8051
1156 L A 0.6938
1157 C A 0.0000
1158 E A -0.5928
1159 I A 1.3419
1160 N A -0.3186
1161 E A -1.6670
1162 D A -2.0821
1163 D A -0.6203
1164 C A 0.0842
1165 G A -0.1189
1166 P A -0.2973
1167 G A -0.2226
1168 P A -0.3245
1169 P A -0.0211
1170 L A 1.1791
1171 D A -1.5491
1172 S A -0.6191
1173 G A -0.5305
1174 P A -0.4105
1175 R A -0.4573
1176 C A 0.0000
1177 L A 0.1795
1178 H A -0.8803
1179 N A -1.4150
1180 G A -0.2885
1181 T A -0.0540
1182 C A 0.3120
1183 V A 0.8040
1184 D A -0.2720
1185 L A 0.7193
1186 V A 1.3093
1187 G A -0.1756
1188 G A -0.0788
1189 F A 0.0240
1190 R A -1.7553
1191 C A -0.2592
1192 T A -0.0248
1193 C A 0.1340
1194 P A -0.0798
1195 P A -0.2666
1196 G A 0.0000
1197 Y A 0.1336
1198 T A -0.0121
1199 G A 0.0185
1200 L A 0.7630
1201 R A -0.1047
1202 C A 0.0000
1203 E A -0.2253
1204 A A 0.0000
1205 D A -0.0977
1206 I A 0.4726
1207 N A -0.1562
1208 E A -0.4616
1209 C A -0.2886
1210 R A -1.8604
1211 S A -0.6380
1212 G A -0.5038
1213 A A -0.0637
1214 C A -0.2285
1215 H A -0.5829
1216 A A -0.0413
1217 A A 0.0421
1218 H A -0.1394
1219 T A -0.0870
1220 R A -0.4392
1221 D A 0.0000
1222 C A 0.1566
1223 L A 0.3034
1224 Q A -0.1854
1225 D A -0.7038
1226 P A -0.4029
1227 G A -0.2589
1228 G A -0.1601
1229 G A -0.0914
1230 F A 0.1591
1231 R A -1.7270
1232 C A -0.1863
1233 L A 0.4502
1234 C A 0.2361
1235 H A -0.1348
1236 A A 0.0134
1237 G A 0.0949
1238 F A 0.3980
1239 S A -0.0655
1240 G A -0.2521
1241 P A -0.5684
1242 R A -1.5895
1243 C A 0.0000
1244 Q A -1.1328
1245 T A 0.0824
1246 V A 1.9265
1247 L A 1.0367
1248 S A 0.0297
1249 P A -0.0292
1250 C A -0.2183
1251 E A -1.8383
1252 S A -0.7568
1253 Q A -1.2428
1254 P A -0.2532
1255 C A 0.0000
1256 Q A -0.7880
1257 H A -0.4308
1258 G A -0.5149
1259 G A -0.3314
1260 Q A -1.1951
1261 C A -0.4759
1262 R A -1.8467
1263 P A -0.3490
1264 S A -0.1012
1265 P A -0.2414
1266 G A -0.1575
1267 P A -0.3514
1268 G A -0.5963
1269 G A -0.5497
1270 G A 0.0000
1271 L A 0.2798
1272 T A 0.1440
1273 F A 0.5839
1274 T A 0.1037
1275 C A -0.0985
1276 H A -0.9335
1277 C A 0.0382
1278 A A 0.0292
1279 Q A -0.2494
1280 P A -0.1309
1281 F A 0.0000
1282 W A 0.2214
1283 G A -0.1028
1284 P A -0.4319
1285 R A -0.9392
1286 C A 0.0000
1287 E A -0.6759
1288 R A -1.4833
1289 V A 0.1215
1290 A A 0.0000
1291 R A -1.8568
1292 S A -0.3721
1293 C A -0.1376
1294 R A -1.7912
1295 E A -0.5870
1296 L A 0.0000
1297 Q A -1.1741
1298 C A -0.0999
1299 P A 0.2766
1300 V A 1.6747
1301 G A -0.1092
1302 V A 0.0612
1303 P A -0.1866
1304 C A -0.0667
1305 Q A -1.2752
1306 Q A -1.4020
1307 T A -0.2749
1308 P A -0.5191
1309 R A -1.5191
1310 G A -0.3441
1311 P A 0.0000
1312 R A -1.8345
1313 C A 0.0000
1314 A A 0.0481
1315 C A 0.1492
1316 P A -0.1572
1317 P A -0.3312
1318 G A -0.2659
1319 L A 0.4382
1320 S A -0.1246
1321 G A -0.3732
1322 P A -0.3468
1323 S A -0.2499
1324 C A 0.0000
1325 R A -1.8619
1326 S A -0.0928
1327 F A 1.9095
1328 P A 0.0071
1329 G A -0.5516
1330 S A -0.3448
1331 P A -0.3392
1332 P A -0.3847
1333 G A -0.5017
1334 A A -0.0638
1335 S A -0.4403
1336 N A -1.3035
1337 A A -0.1802
1338 S A -0.0117
1339 C A 0.1080
1340 A A 0.0931
1341 A A 0.0795
1342 A A 0.0689
1343 P A 0.0000
1344 C A 0.1567
1345 L A 0.4762
1346 H A -0.6611
1347 G A -0.6003
1348 G A -0.1445
1349 S A -0.1946
1350 C A -0.2066
1351 R A -1.8223
1352 P A -0.3762
1353 A A 0.0000
1354 P A 0.0341
1355 L A 1.5125
1356 A A 0.3748
1357 P A 0.0111
1358 F A 0.4790
1359 F A 0.0000
1360 R A -1.8252
1361 C A -0.2088
1362 A A 0.1215
1363 C A 0.2457
1364 A A -0.1521
1365 Q A -1.2349
1366 G A -0.3791
1367 W A 0.2644
1368 T A -0.0128
1369 G A -0.2282
1370 P A -0.3220
1371 R A -0.2381
1372 C A 0.0000
1373 E A -1.2927
1374 A A -0.2614
1375 P A -0.1976
1376 A A -0.0005
1377 A A 0.0734
1378 A A 0.0223
1379 P A -0.5850
1380 E A -1.5212
1381 V A 1.3970
1382 S A -0.2725
1383 E A -2.1755
1384 E A -2.1861
1385 P A -0.8007
1386 R A -1.8621
1387 C A -0.2822
1388 P A -0.4727
1389 R A -1.3183
1390 A A -0.1704
1391 A A -0.0650
1392 C A 0.0000
1393 Q A -1.1877
1394 A A -0.2818
1395 K A -0.9580
1396 R A -1.7717
1397 G A -0.9893
1398 D A -1.7644
1399 Q A -0.9682
1400 R A -1.8261
1401 C A 0.0101
1402 D A -0.5496
1403 R A -2.2524
1404 E A -2.1544
1405 C A 0.0000
1406 N A -0.4420
1407 S A -0.1148
1408 P A -0.0863
1409 G A -0.3362
1410 C A 0.0451
1411 G A -0.1395
1412 W A 0.0000
1413 D A 0.0000
1414 G A -0.2900
1415 G A 0.0000
1416 D A -0.1547
1417 C A 0.0000
1418 S A 0.0000
1419 L A 0.0000
1420 S A -0.1014
1421 V A 0.1345
1422 G A -0.2250
1423 D A -0.7946
1424 P A 0.0000
1425 W A 0.0000
1426 R A -1.3342
1427 Q A -1.0319
1428 C A -0.3893
1429 E A -1.8008
1430 A A -0.0341
1431 L A 1.4799
1432 Q A -0.1097
1433 C A 0.0000
1434 W A -0.1462
1435 R A -1.7145
1436 L A 0.1884
1437 F A 0.0000
1438 N A -0.9222
1439 N A -0.7391
1440 S A -0.5159
1441 R A -1.7721
1442 C A 0.0422
1443 D A -0.3137
1444 P A -0.3133
1445 A A 0.0121
1446 C A 0.0000
1447 S A -0.0977
1448 S A -0.0971
1449 P A -0.1889
1450 A A -0.0052
1451 C A 0.0000
1452 L A 0.0000
1453 Y A 0.0000
1454 D A 0.0000
1455 N A 0.0000
1456 F A 0.0000
1457 D A -0.1285
1458 C A 0.1524
1459 H A -0.0987
1460 A A -0.0048
1461 G A -0.2138
1462 G A -0.1908
1463 R A -0.8377
1464 E A -1.9799
1465 R A -0.7284
1466 T A -0.1423
1467 C A 0.0000
1468 N A -0.3112
1469 P A -0.0465
1470 V A 1.6992
1471 Y A 0.0000
1472 E A -0.9070
1473 K A -1.7626
1474 Y A -0.0836
1475 C A 0.0000
1476 A A 0.0000
1477 D A -1.8264
1478 H A -0.5269
1479 F A 0.0000
1480 A A -0.1108
1481 D A -0.8253
1482 G A -0.9306
1483 R A -1.8386
1484 C A 0.0638
1485 D A -0.3840
1486 Q A -0.8274
1487 G A -0.2213
1488 C A 0.0000
1489 N A -0.3589
1490 T A -0.0982
1491 E A -0.2841
1492 E A -0.2386
1493 C A 0.0000
1494 G A 0.0000
1495 W A 0.0685
1496 D A 0.0000
1497 G A 0.0000
1498 L A 0.0000
1499 D A -0.1055
1500 C A 0.1312
1501 A A 0.0000
1502 S A -0.5405
1503 E A -1.7947
1504 V A -0.0250
1505 P A -0.1809
1506 A A 0.1982
1507 L A 1.1146
1508 L A 0.7330
1509 A A 0.0000
1510 R A -1.9118
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 0.5513
1519 L A 0.3486
1520 P A -0.0263
1521 P A -0.3714
1522 E A -2.1089
1523 E A -1.8948
1524 L A 0.0000
1525 L A 0.1463
1526 R A -1.7670
1527 S A -0.3928
1528 S A 0.0098
1529 A A -0.0923
1530 D A -0.5544
1531 F A 0.0000
1532 L A 0.0000
1533 Q A 0.0000
1534 R A -0.3374
1535 L A 0.0000
1536 S A 0.0000
1537 A A 0.0375
1538 I A 0.2683
1539 L A 0.0000
1540 R A 0.0000
1541 T A 0.0000
1542 S A 0.0000
1543 L A 0.0000
1544 R A -0.8166
1545 F A -0.0189
1546 R A -0.2070
1547 L A 1.3520
1548 D A -0.2226
1549 A A -0.2141
1550 H A -1.0636
1551 G A -0.8612
1552 Q A -1.2813
1553 A A 0.0019
1554 M A 0.2038
1555 V A 0.4153
1556 F A 1.0034
1557 P A 0.0480
1558 Y A 0.0615
1559 H A -0.6077
1560 R A -1.9648
1561 P A -0.6295
1562 S A -0.3069
1563 P A -0.3783
1564 G A -0.5514
1565 S A -0.6427
1566 E A -1.9066
1567 P A -0.9297
1568 R A -1.8807
1569 A A -0.6268
1570 R A -2.1721
1571 R A -2.5198
1572 E A -1.8668
1573 L A 1.2123
1574 A A 0.3009
1575 P A -0.4660
1576 E A -1.1414
1577 V A 1.0062
1578 I A 0.5869
1579 G A 0.0000
1580 S A 0.0000
1581 V A 0.2461
1582 V A 0.0000
1583 M A 0.1792
1584 L A 0.0000
1585 E A -0.4575
1586 I A 0.0000
1587 D A 0.0000
1588 N A 0.0000
1589 R A -0.0538
1590 L A 0.0173
1591 C A 0.0000
1592 L A 0.3848
1593 Q A -1.0627
1594 S A -0.3016
1595 P A -0.3558
1596 E A -0.7165
1597 N A -1.1697
1598 D A -1.9695
1599 H A -0.4896
1600 C A 0.0000
1601 F A 0.0000
1602 P A -0.1789
1603 D A -0.7524
1604 A A 0.0000
1605 Q A -0.6427
1606 S A -0.1449
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 -0.0342
1616 A A 0.0000
1617 V A -0.0278
1618 E A -1.9180
1619 R A -1.1172
1620 L A -0.1934
1621 D A -1.6986
1622 F A -0.1680
1623 P A -0.1904
1624 Y A 0.0671
1625 P A -0.1353
1626 L A 0.0823
1627 R A -0.3865
1628 D A -0.2893
1629 V A 0.0000
1630 R A -0.8707
1631 G A -0.4848
1632 E A -0.8712
1633 P A -0.2812
1634 L A 0.2672
1635 E A -1.7465
1636 P A -0.6391
1637 P A -0.6358
1638 E A -1.9136
1639 P A -0.6290
1640 S A 0.0673
1641 V A 1.6870
1642 P A 0.3484
1643 L A 1.7817
1644 L A 1.7924
1645 P A 0.4608
1646 L A 1.3898
1647 L A 2.0488
1648 V A 2.0441
1649 A A 0.5774
1650 G A 0.0453
1651 A A 0.3872
1652 V A 1.7606
1653 L A 1.9036
1654 L A 2.0993
1655 L A 2.2258
1656 V A 1.5181
1657 I A 2.4180
1658 L A 2.1831
1659 V A 1.5524
1660 L A 1.5592
1661 G A 0.4463
1662 V A 1.4857
1663 M A 1.1638
1664 V A 1.8619
1665 A A 0.0331
1666 R A -2.1680
1667 R A -2.4850
1668 K A -2.3781
1669 R A -2.5033
1670 E A -2.3510
1671 H A -1.3669
1672 S A -0.4109
1673 T A 0.1760
1674 L A 1.7579
1675 W A 1.8337
1676 F A 2.1213
1677 P A 0.3022
1678 E A -0.7700
1679 G A -0.0131
1680 F A 1.8582
1681 S A 0.4371
1682 L A 1.3254
1683 H A -1.0214
1684 K A -2.2112
1685 D A -1.7682
1686 V A 1.4501
1687 A A 0.3775
1688 S A -0.2929
1689 G A -0.6899
1690 H A -1.3919
1691 K A -1.9702
1692 G A -1.1209
1693 R A -2.2660
1694 R A -2.5217
1695 E A -2.2125
1696 P A -0.2580
1697 V A 1.6395
1698 G A -0.3650
1699 Q A -1.6254
1700 D A -2.0051
1701 A A 0.0005
1702 L A 1.4985
1703 G A 0.1674
1704 M A 0.6736
1705 K A -1.7661
1706 N A -1.4206
1707 M A 0.8151
1708 A A -0.0529
1709 K A -1.8110
1710 G A -1.2415
1711 E A -1.9557
1712 S A -0.3601
1713 L A 1.7080
1714 M A 1.2330
1715 G A -0.5438
1716 E A -1.5635
1717 V A 1.4340
1718 A A 0.4238
1719 T A -0.4021
1720 D A -1.5501
1721 W A 1.0130
1722 M A 0.9631
1723 D A -1.6119
1724 T A -0.7351
1725 E A -1.6982
1726 C A 0.3509
1727 P A -0.4598
1728 E A -1.8562
1729 A A -0.5897
1730 K A -2.0299
1731 R A -1.9168
1732 L A 0.8065
1733 K A -0.2603
1734 V A 1.2748
1735 E A -1.8344
1736 E A -2.2095
1737 P A -0.6756
1738 G A -0.3173
1739 M A 0.8797
1740 G A -0.2601
1741 A A -0.3759
1742 E A -2.1675
1743 E A -2.1671
1744 A A 0.0445
1745 V A 1.6329
1746 D A -0.3342
1747 C A 0.4756
1748 R A -0.6792
1749 Q A -1.2240
1750 W A 0.2309
1751 T A -0.1500
1752 Q A -1.2353
1753 H A -0.4094
1754 H A 0.0000
1755 L A 0.6252
1756 V A 1.8279
1757 A A 0.0000
1758 A A -0.3112
1759 D A -1.4183
1760 I A 1.3422
1761 R A -1.3143
1762 V A 0.5098
1763 A A 0.1445
1764 P A -0.2383
1765 A A 0.1999
1766 M A 1.0749
1767 A A 0.5467
1768 L A 1.5454
1769 T A 0.1702
1770 P A -0.3153
1771 P A -0.5184
1772 Q A -1.3298
1773 G A -1.0108
1774 D A -1.8635
1775 A A -0.5910
1776 D A -1.7682
1777 A A -0.5866
1778 D A -1.8639
1779 G A -0.6038
1780 M A 0.7118
1781 D A -1.2234
1782 V A 0.0000
1783 N A -0.4591
1784 V A -0.0270
1785 R A -0.7959
1786 G A 0.0000
1787 P A -0.1090
1788 D A -0.2715
1789 G A 0.0000
1790 F A 0.2639
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 0.3621
1799 C A 0.1143
1800 G A -0.4900
1801 G A -0.3441
1802 A A 0.2951
1803 L A 1.2155
1804 E A -1.5757
1805 P A -0.3931
1806 M A 0.9583
1807 P A -0.0761
1808 T A -0.4549
1809 E A -2.1687
1810 E A -2.4755
1811 D A -2.4421
1812 E A -2.1313
1813 A A -0.5829
1814 D A -2.1050
1815 D A -2.1194
1816 T A -0.3522
1817 S A -0.0420
1818 A A 0.0000
1819 S A -0.0533
1820 I A 0.2738
1821 I A 0.0000
1822 S A -0.3877
1823 D A -1.7274
1824 L A 0.0000
1825 I A 0.4755
1826 C A 0.3983
1827 Q A -1.1498
1828 G A -0.6811
1829 A A 0.0000
1830 Q A -1.1529
1831 L A -0.0440
1832 G A -0.3892
1833 A A -0.2573
1834 R A -1.0434
1835 T A 0.0000
1836 D A -2.1246
1837 R A -2.1731
1838 T A -0.3640
1839 G A -0.1872
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 -0.9298
1849 Y A 0.3968
1850 A A 0.1608
1851 R A 0.0000
1852 A A -0.1419
1853 D A -0.8646
1854 A A 0.0000
1855 A A 0.0000
1856 K A -1.7814
1857 R A -0.8519
1858 L A 0.0000
1859 L A -0.2089
1860 D A -1.7560
1861 A A -0.3832
1862 G A -0.4446
1863 A A -0.3864
1864 D A -1.7883
1865 T A 0.0000
1866 N A -0.5827
1867 A A 0.0000
1868 Q A -0.7542
1869 D A -0.5146
1870 H A -1.0329
1871 S A -0.2250
1872 G A -0.2388
1873 R A -0.7053
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 -0.0309
1882 A A -0.2455
1883 D A -1.4715
1884 A A 0.0000
1885 Q A -1.2466
1886 G A -0.4839
1887 V A 0.0000
1888 F A 0.0000
1889 Q A -0.2011
1890 I A 0.1737
1891 L A 0.0000
1892 I A -0.1065
1893 R A -1.8787
1894 N A -1.0775
1895 R A -1.9556
1896 S A -0.5494
1897 T A 0.0000
1898 D A -1.0291
1899 L A -0.0719
1900 D A -0.3231
1901 A A -0.3946
1902 R A -1.8283
1903 M A -0.2259
1904 A A -0.0522
1905 D A -0.7086
1906 G A -0.5422
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 -0.2263
1916 L A 0.7854
1917 A A 0.2021
1918 V A 0.0000
1919 E A -1.8737
1920 G A -0.6269
1921 M A 0.0000
1922 V A 0.0000
1923 E A -1.2642
1924 E A -0.9534
1925 L A 0.0000
1926 I A 0.2086
1927 A A 0.0025
1928 S A -0.2339
1929 H A -1.0022
1930 A A 0.0000
1931 D A -1.3897
1932 V A -0.2111
1933 N A -0.7101
1934 A A 0.0488
1935 V A 0.9803
1936 D A 0.0000
1937 E A -1.4509
1938 L A 0.3306
1939 G A -0.0012
1940 K A -0.1955
1941 S A 0.0000
1942 A A 0.0000
1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.2248
1946 A A 0.0000
1947 A A 0.0000
1948 A A 0.1830
1949 V A 0.7741
1950 N A -0.3293
1951 N A -0.1286
1952 V A 0.1137
1953 E A -1.7343
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6166
1957 A A 0.1177
1958 L A 0.0000
1959 L A -0.1562
1960 K A -1.9050
1961 N A -1.6671
1962 G A -0.6979
1963 A A 0.0000
1964 N A -1.1797
1965 K A -0.7521
1966 D A -0.5273
1967 M A 0.0113
1968 Q A -0.1714
1969 D A 0.0000
1970 S A -0.2212
1971 K A -0.7967
1972 E A 0.0000
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 -0.9479
1982 E A -1.8722
1983 G A -0.4739
1984 S A 0.0000
1985 Y A -0.0037
1986 E A -1.5834
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.1928
1990 L A -0.0011
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.6224
1994 H A -0.1354
1995 F A 1.9065
1996 A A 0.0000
1997 N A -0.5270
1998 R A -0.8208
1999 E A -1.8373
2000 I A -0.0177
2001 T A -0.1403
2002 D A 0.0000
2003 H A -0.7138
2004 L A 1.0501
2005 D A -1.5874
2006 R A -0.6552
2007 L A 0.3416
2008 P A 0.0000
2009 R A -1.1968
2010 D A -1.3109
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.9251
2014 E A -2.2596
2015 R A -1.7372
2016 L A 1.1334
2017 H A -0.1195
2018 Q A -1.3604
2019 D A -0.9300
2020 I A 0.0000
2021 V A 0.0000
2022 R A -1.9642
2023 L A -0.1614
2024 L A 0.0000
2025 D A -1.8490
2026 Q A -1.2136
2027 P A -0.4584
2028 S A -0.3462
2029 G A -0.5521
2030 P A -0.6784
2031 R A -1.9302
2032 S A -0.6007
2033 P A -0.3408
2034 P A -0.3886
2035 G A -0.5607
2036 P A -0.5237
2037 H A -1.1235
2038 G A -0.3643
2039 L A 1.3758
2040 G A -0.2274
2041 P A -0.0607
2042 L A 1.7827
2043 L A 1.9633
2044 C A 0.9701
2045 P A -0.1679
2046 P A -0.3880
2047 G A -0.5031
2048 A A 0.3271
2049 F A 2.2348
2050 L A 1.8568
2051 P A -0.0619
2052 G A -0.2243
2053 L A 1.1136
2054 K A -1.3730
2055 A A -0.2504
2056 A A -0.1517
2057 Q A -1.2299
2058 S A -0.5382
2059 G A -0.5437
2060 S A -0.7058
2061 K A -2.0648
2062 K A -2.0556
2063 S A -0.9855
2064 R A -2.2475
2065 R A -2.2489
2066 P A -0.6842
2067 P A -0.3955
2068 G A -0.9552
2069 K A -1.8105
2070 A A -0.3756
2071 G A -0.1760
2072 L A 1.3560
2073 G A -0.1533
2074 P A -0.5665
2075 Q A -1.3337
2076 G A -0.7397
2077 P A -0.6800
2078 R A -1.9753
2079 G A -1.1309
2080 R A -2.0125
2081 G A -1.1188
2082 K A -2.1007
2083 K A -1.7354
2084 L A 1.2290
2085 T A 0.4999
2086 L A 1.5456
2087 A A 0.4812
2088 C A 0.6967
2089 P A -0.2107
2090 G A -0.5648
2091 P A -0.0631
2092 L A 1.5145
2093 A A 0.0822
2094 D A -1.8206
2095 S A -0.6108
2096 S A 0.0759
2097 V A 1.7197
2098 T A 0.5534
2099 L A 1.4844
2100 S A 0.1005
2101 P A 0.0417
2102 V A 1.3973
2103 D A -1.5179
2104 S A -0.3727
2105 L A 1.0791
2106 D A -1.4576
2107 S A -0.6069
2108 P A -0.6603
2109 R A -1.9449
2110 P A -0.2702
2111 F A 1.7761
2112 G A -0.0592
2113 G A -0.5995
2114 P A -0.3939
2115 P A -0.2953
2116 A A -0.0383
2117 S A -0.2446
2118 P A -0.4070
2119 G A -0.6159
2120 G A -0.1736
2121 F A 1.8025
2122 P A 0.3902
2123 L A 1.1611
2124 E A -1.6253
2125 G A -0.8847
2126 P A -0.1140
2127 Y A 1.2828
2128 A A 0.3589
2129 A A 0.0807
2130 A A 0.0558
2131 T A -0.0475
2132 A A 0.0304
2133 T A -0.0486
2134 A A 0.3696
2135 V A 1.7434
2136 S A 0.4151
2137 L A 1.5177
2138 A A 0.0595
2139 Q A -0.9007
2140 L A 1.2428
2141 G A -0.2679
2142 G A -0.6008
2143 P A -0.4410
2144 G A -0.8520
2145 R A -1.9151
2146 A A -0.4618
2147 G A -0.1435
2148 L A 1.3643
2149 G A -0.5101
2150 R A -2.1823
2151 Q A -1.6356
2152 P A -0.5348
2153 P A -0.3910
2154 G A -0.6074
2155 G A -0.4099
2156 C A 0.9772
2157 V A 2.2043
2158 L A 1.8391
2159 S A 0.4353
2160 L A 1.4148
2161 G A 0.2206
2162 L A 1.7053
2163 L A 1.5220
2164 N A -0.9521
2165 P A -0.1703
2166 V A 1.7392
2167 A A 0.8226
2168 V A 1.7324
2169 P A 0.3854
2170 L A 1.0779
2171 D A -1.2026
2172 W A 0.8670
2173 A A -0.0583
2174 R A -1.5159
2175 L A 1.1212
2176 P A -0.0036
2177 P A -0.3577
2178 P A -0.2953
2179 A A -0.0458
2180 P A -0.2922
2181 P A -0.3931
2182 G A -0.5647
2183 P A -0.3861
2184 S A 0.0981
2185 F A 2.1831
2186 L A 2.2553
2187 L A 1.8515
2188 P A 0.3438
2189 L A 1.5117
2190 A A 0.3215
2191 P A -0.3345
2192 G A -0.5643
2193 P A -0.5809
2194 Q A -0.9298
2195 L A 1.6053
2196 L A 1.6136
2197 N A -1.0279
2198 P A -0.5669
2199 G A -0.5266
2200 T A -0.2079
2201 P A 0.0686
2202 V A 1.6847
2203 S A 0.0667
2204 P A -0.5402
2205 Q A -1.6506
2206 E A -2.4512
2207 R A -2.2639
2208 P A -0.7156
2209 P A -0.3507
2210 P A 0.0172
2211 Y A 1.5371
2212 L A 1.8035
2213 A A 0.7961
2214 V A 1.7326
2215 P A 0.0177
2216 G A -0.6960
2217 H A -1.1619
2218 G A -0.9839
2219 E A -2.2713
2220 E A -1.9398
2221 Y A 0.9233
2222 P A 0.0240
2223 A A 0.0213
2224 A A -0.0176
2225 G A -0.4440
2226 A A -0.2315
2227 H A -1.0220
2228 S A -0.4583
2229 S A -0.3005
2230 P A -0.3387
2231 P A -0.6149
2232 K A -1.7364
2233 A A -0.5892
2234 R A -1.4760
2235 F A 1.8839
2236 L A 1.5593
2237 R A -1.2283
2238 V A 1.3846
2239 P A 0.0304
2240 S A -0.5975
2241 E A -2.0453
2242 H A -1.3787
2243 P A -0.1909
2244 Y A 1.5629
2245 L A 1.7852
2246 T A 0.1738
2247 P A -0.3080
2248 S A -0.3076
2249 P A -0.6358
2250 E A -1.9076
2251 S A -0.6006
2252 P A -0.6325
2253 E A -2.0541
2254 H A -1.1130
2255 W A 1.0140
2256 A A 0.2418
2257 S A -0.2075
2258 P A -0.1082
2259 S A -0.2267
2260 P A -0.1085
2261 P A -0.1046
2262 S A 0.1587
2263 L A 1.2986
2264 S A -0.2615
2265 D A -1.4316
2266 W A 0.8799
2267 S A -0.1457
2268 E A -1.8018
2269 S A -0.5481
2270 T A -0.1556
2271 P A -0.3067
2272 S A -0.3055
2273 P A -0.2920
2274 A A -0.0530
2275 T A -0.0678
2276 A A -0.1424
2277 T A -0.1538
2278 G A -0.4685
2279 A A 0.1649
2280 M A 1.0748
2281 A A 0.2391
2282 T A -0.0735
2283 T A -0.0973
2284 T A -0.1693
2285 G A -0.4685
2286 A A 0.2599
2287 L A 1.5128
2288 P A 0.0336
2289 A A -0.2146
2290 Q A -1.2350
2291 P A -0.1833
2292 L A 1.3257
2293 P A 0.0887
2294 L A 0.7341
2295 S A 0.3179
2296 V A 1.6875
2297 P A 0.0107
2298 S A -0.3146
2299 S A 0.0356
2300 L A 1.5219
2301 A A 0.2062
2302 Q A -1.1755
2303 A A -0.4707
2304 Q A -1.1978
2305 T A -0.5248
2306 Q A -0.9210
2307 L A 1.2339
2308 G A -0.2211
2309 P A -0.5711
2310 Q A -1.2950
2311 P A -0.8232
2312 E A -1.5206
2313 V A 1.4039
2314 T A 0.2039
2315 P A -0.5781
2316 K A -2.1565
2317 R A -2.4573
2318 Q A -1.2230
2319 V A 1.8647
2320 L A 1.9253
2321 A A 0.3563
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 0.0013 5.0895 View CSV PDB
4.5 -0.0304 5.0895 View CSV PDB
5.0 -0.0691 5.0895 View CSV PDB
5.5 -0.1092 5.0895 View CSV PDB
6.0 -0.1455 5.0895 View CSV PDB
6.5 -0.175 5.0895 View CSV PDB
7.0 -0.1974 5.0895 View CSV PDB
7.5 -0.2151 5.0895 View CSV PDB
8.0 -0.2295 5.0895 View CSV PDB
8.5 -0.2404 5.0895 View CSV PDB
9.0 -0.2465 5.0895 View CSV PDB