Project name: C484Y_10

Status: done

Started: 2026-06-12 13:56:47
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVYKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:27)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:27)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:38:15)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/ed0f8836fa380e9/tmp/folded.pdb                (00:38:15)
[INFO]       Main:     Simulation completed successfully.                                          (01:21:17)
Show buried residues

Minimal score value
-4.7313
Maximal score value
5.4065
Average score
-0.7453
Total score value
-1729.9512

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 0.7174
2 G A -0.1847
3 P A -0.6822
4 G A -0.9907
5 A A -1.4927
6 R A -2.8220
7 G A -2.7303
8 R A -3.8386
9 R A -4.5489
10 R A -4.7313
11 R A -4.4611
12 R A -4.1908
13 R A -3.2524
14 P A -1.1495
15 M A 0.1185
16 S A 0.0260
17 P A -0.3674
18 P A -0.5188
19 P A -0.6739
20 P A -0.6829
21 P A -0.3873
22 P A -0.3067
23 P A -0.0655
24 V A 0.8683
25 R A -0.6464
26 A A 0.5603
27 L A 1.8748
28 P A 1.9886
29 L A 3.6787
30 L A 4.0348
31 L A 3.9112
32 L A 3.7630
33 L A 3.1399
34 A A 1.4965
35 G A 0.0464
36 P A -0.2878
37 G A -0.6754
38 A A -0.3034
39 A A -0.3307
40 A A -0.4657
41 P A -1.2653
42 P A -1.1119
43 C A 0.0000
44 L A -0.1569
45 D A -1.4758
46 G A -1.0297
47 S A -0.8395
48 P A -1.0242
49 C A -1.1420
50 A A -1.3695
51 N A -1.6951
52 G A -1.2741
53 G A -1.1958
54 R A -1.6421
55 C A -0.4583
56 T A -0.8125
57 Q A -1.8474
58 L A -1.2870
59 P A -1.1372
60 S A -1.7236
61 R A -3.0191
62 E A -2.8152
63 A A 0.0000
64 A A -1.0278
65 C A 0.0000
66 L A 0.5426
67 C A -0.1029
68 P A -0.2110
69 P A -0.4565
70 G A -1.0242
71 W A -1.0745
72 V A -0.7932
73 G A -0.9004
74 E A -1.9125
75 R A -1.8516
76 C A 0.0000
77 Q A -1.7960
78 L A -1.5084
79 E A -2.3539
80 D A -1.5869
81 P A -1.3340
82 C A -0.9066
83 H A -1.6144
84 S A -1.1482
85 G A -0.8491
86 P A -0.3791
87 C A -0.7131
88 A A -0.5390
89 G A -1.0061
90 R A -1.6539
91 G A -1.0329
92 V A 0.4781
93 C A -0.1027
94 Q A -0.5000
95 S A -0.3205
96 S A 0.1166
97 V A 0.8747
98 V A 1.6371
99 A A 0.6537
100 G A -0.1787
101 T A -0.0712
102 A A 0.0000
103 R A -1.2480
104 F A -0.5153
105 S A -0.7151
106 C A -0.8207
107 R A -1.6797
108 C A -1.1007
109 P A -1.2705
110 R A -1.7825
111 G A -0.3866
112 F A -0.3564
113 R A -0.7019
114 G A -0.5848
115 P A -0.7567
116 D A -0.7837
117 C A 0.0000
118 S A -0.3216
119 L A 0.3682
120 P A -0.1487
121 D A -0.1810
122 P A 0.0983
123 C A 0.3411
124 L A 0.7470
125 S A 0.2698
126 S A -0.1130
127 P A -0.3494
128 C A -1.1206
129 A A -1.4509
130 H A -1.6619
131 G A -1.2729
132 A A -1.5807
133 R A -1.8675
134 C A -0.4574
135 S A -0.1283
136 V A 0.1225
137 G A 0.0000
138 P A -1.1985
139 D A -2.2534
140 G A -1.4885
141 R A -1.9450
142 F A -0.5027
143 L A -0.0435
144 C A -0.7536
145 S A -0.9535
146 C A -1.3357
147 P A -0.8409
148 P A -0.5373
149 G A -0.7542
150 Y A -1.7426
151 Q A -2.3738
152 G A -2.3567
153 R A -2.1736
154 S A -1.8074
155 C A 0.0000
156 R A -2.8935
157 S A -2.2413
158 D A -1.8381
159 V A -0.9076
160 D A -0.7869
161 E A -0.9072
162 C A -1.1898
163 R A -1.5888
164 V A 0.2963
165 G A -0.9642
166 E A -2.2674
167 P A -1.6305
168 C A 0.0000
169 R A -2.7560
170 H A -2.0661
171 G A -1.6855
172 G A -1.6807
173 T A -1.2492
174 C A -1.3390
175 L A -0.4574
176 N A -1.0923
177 T A -0.7265
178 P A -0.8934
179 G A -1.0057
180 S A -0.6673
181 F A -0.7552
182 R A -1.8028
183 C A -1.5990
184 Q A -1.5157
185 C A -1.2532
186 P A -0.6165
187 A A 0.1286
188 G A 0.0342
189 Y A -0.4296
190 T A -0.7061
191 G A -0.9410
192 P A -1.0791
193 L A -1.3007
194 C A 0.0000
195 E A -1.8327
196 N A -1.6010
197 P A -0.4262
198 A A 0.2862
199 V A 1.0133
200 P A -0.0992
201 C A -0.2387
202 A A 0.2599
203 P A 0.0366
204 S A -0.6714
205 P A -1.0849
206 C A -2.2137
207 R A -3.0192
208 N A -2.0600
209 G A -1.3814
210 G A -1.6076
211 T A -1.2036
212 C A -1.8285
213 R A -2.9046
214 Q A -2.3969
215 S A -1.7845
216 G A -1.3218
217 D A -1.2643
218 L A 0.4207
219 T A -0.6058
220 Y A -1.5387
221 D A -2.7753
222 C A 0.0000
223 A A -0.9311
224 C A -0.8948
225 L A 0.1258
226 P A -0.0299
227 G A -0.3979
228 F A -1.1740
229 E A -2.1920
230 G A -1.9650
231 Q A -2.4380
232 N A -2.5275
233 C A 0.0000
234 E A -2.6013
235 V A -1.0346
236 N A -0.8629
237 V A -0.9774
238 D A -1.6836
239 D A -1.6065
240 C A -1.5360
241 P A -1.3310
242 G A -1.3024
243 H A -1.5815
244 R A -2.0647
245 C A 0.0000
246 L A 0.1809
247 N A -0.4543
248 G A -0.3978
249 G A -0.7372
250 T A -0.5817
251 C A -0.5797
252 V A -0.2447
253 D A -1.0418
254 G A -0.3187
255 V A 0.6322
256 N A -0.7692
257 T A -0.7037
258 Y A -1.2759
259 N A -1.7484
260 C A -1.2873
261 Q A -1.3711
262 C A -1.1038
263 P A -0.6323
264 P A -0.7636
265 E A -1.1494
266 W A 0.0000
267 T A -1.4875
268 G A -1.4384
269 Q A -1.8638
270 F A -1.2541
271 C A 0.0000
272 T A -1.0149
273 E A -2.0535
274 D A -1.3910
275 V A -0.9374
276 D A -1.0234
277 E A -1.1840
278 C A -0.9738
279 Q A -1.1794
280 L A -0.0280
281 Q A -1.4842
282 P A -1.5034
283 N A -2.1610
284 A A -1.5646
285 C A 0.0000
286 H A -2.0795
287 N A -1.6185
288 G A -1.1060
289 G A -0.7135
290 T A -0.1310
291 C A -0.3241
292 F A 0.5143
293 N A -0.3477
294 T A 0.0557
295 L A 0.5459
296 G A -0.2384
297 G A -0.2825
298 H A -0.5393
299 S A -0.4844
300 C A -0.3447
301 V A -0.1206
302 C A -0.3230
303 V A 0.4018
304 N A 0.3162
305 G A 0.0000
306 W A -0.5472
307 T A -1.0044
308 G A -1.5003
309 E A -2.2690
310 S A -1.7675
311 C A 0.0000
312 S A -1.6494
313 Q A -1.9734
314 N A -1.1758
315 I A -0.5708
316 D A -1.9043
317 D A -0.8794
318 C A -0.3944
319 A A -0.3267
320 T A 0.0311
321 A A 0.7018
322 V A 1.9727
323 C A 1.2287
324 F A 0.5389
325 H A -0.9605
326 G A -0.5990
327 A A 0.0916
328 T A 0.1045
329 C A 0.3779
330 H A -0.7414
331 D A -1.1454
332 R A -0.4881
333 V A 0.3174
334 A A 0.0327
335 S A 0.0000
336 F A 0.2455
337 Y A 0.5545
338 C A 0.0000
339 A A 0.4042
340 C A 0.3202
341 P A 0.1211
342 M A 0.8342
343 G A 0.0062
344 K A -1.0092
345 T A -0.9406
346 G A -0.1623
347 L A 0.6945
348 L A 1.0499
349 C A 0.0000
350 H A -0.3476
351 L A -1.2525
352 D A -2.2062
353 D A -1.4230
354 A A -1.1526
355 C A -0.2842
356 V A 0.8119
357 S A -0.0140
358 N A -0.9365
359 P A -0.9561
360 C A -1.2469
361 H A -2.1841
362 E A -2.8749
363 D A -2.2212
364 A A -0.8379
365 I A 1.0220
366 C A -0.0663
367 D A -1.0005
368 T A 0.0000
369 N A -0.8959
370 P A -0.5381
371 V A 0.7938
372 N A -0.8821
373 G A -1.7524
374 R A -2.2429
375 A A -0.9144
376 I A 0.3635
377 C A -0.0372
378 T A 0.4445
379 C A -0.2613
380 P A -0.3238
381 P A -0.4498
382 G A -0.7747
383 F A -1.4808
384 T A -1.2148
385 G A -1.3929
386 G A -0.8752
387 A A -1.2206
388 C A 0.0000
389 D A -2.9234
390 Q A -2.6120
391 D A -2.0330
392 V A -1.0219
393 D A -1.0828
394 E A -0.3419
395 C A -0.2528
396 S A 0.0859
397 I A 1.2031
398 G A 0.1845
399 A A -0.4591
400 N A -1.4527
401 P A -1.1010
402 C A 0.0000
403 E A -2.1820
404 H A -1.4190
405 L A 0.0215
406 G A 0.0000
407 R A -2.1944
408 C A -1.1855
409 V A -0.2416
410 N A -0.6715
411 T A -0.6282
412 Q A -1.7678
413 G A -1.4576
414 S A -0.4374
415 F A 0.0630
416 L A 0.0985
417 C A -1.1758
418 Q A -1.6668
419 C A -1.6367
420 G A -1.2610
421 R A -1.8875
422 G A 0.0000
423 Y A -1.0460
424 T A -1.3608
425 G A -1.2499
426 P A -1.1438
427 R A -2.2930
428 C A 0.0000
429 E A -2.1667
430 T A -1.4445
431 D A -1.3639
432 V A -0.5736
433 N A -0.6732
434 E A -0.5399
435 C A -0.0359
436 L A 1.0483
437 S A 0.1566
438 G A -0.5030
439 P A -0.2967
440 C A -0.5402
441 R A -2.2837
442 N A -1.8870
443 Q A -1.7444
444 A A -0.3197
445 T A 0.3481
446 C A 0.3867
447 L A 0.0768
448 D A -0.9702
449 R A -1.5579
450 I A 0.0262
451 G A 0.0000
452 Q A -1.5208
453 F A -0.4677
454 T A 0.2353
455 C A 1.0296
456 I A 2.3702
457 C A 1.0503
458 M A 0.3409
459 A A 0.3954
460 G A -0.6351
461 F A -0.1200
462 T A 0.1299
463 G A 0.1445
464 T A 0.4116
465 Y A 0.4733
466 C A 0.0000
467 E A -0.9504
468 V A -0.1928
469 D A -1.7531
470 I A -1.3026
471 D A -3.2346
472 E A -3.1154
473 C A 0.0000
474 Q A -2.2670
475 S A -1.4608
476 S A -0.4869
477 P A -0.1499
478 C A 0.0000
479 V A 0.5890
480 N A -0.7405
481 G A -0.1386
482 G A 0.0000
483 V A 1.6524
484 Y A 0.4230
485 K A -1.8567
486 D A -3.3920
487 R A -2.8110
488 V A -0.6493
489 N A -1.5374
490 G A -1.5869
491 F A -1.5743
492 S A -0.6181
493 C A 0.5058
494 T A 0.5927
495 C A 0.4737
496 P A -0.3111
497 S A -0.9473
498 G A -1.9836
499 F A -1.0342
500 S A -0.6136
501 G A -0.5424
502 S A -0.2565
503 T A 0.1178
504 C A 0.0000
505 Q A -1.0064
506 L A -0.3790
507 D A -2.5496
508 V A -1.9305
509 D A -2.9007
510 E A -2.8132
511 C A -1.7051
512 A A -1.0205
513 S A -0.7269
514 T A -0.9251
515 P A -0.7841
516 C A 0.0000
517 R A -2.9346
518 N A -2.4671
519 G A -1.9376
520 A A -2.6955
521 K A -2.8937
522 C A -2.2145
523 V A -1.8978
524 D A -3.2161
525 Q A -2.8256
526 P A -2.5611
527 D A -2.9248
528 G A -2.1500
529 Y A -1.9433
530 E A -2.1491
531 C A -2.1909
532 R A -2.8120
533 C A -2.7825
534 A A -1.9254
535 E A -1.7996
536 G A -1.2039
537 F A -2.5527
538 E A -3.2444
539 G A -2.1515
540 T A -1.3217
541 L A -1.4760
542 C A 0.0000
543 D A -3.6457
544 R A -3.9066
545 N A -2.8380
546 V A -1.9310
547 D A -2.4638
548 D A -1.5902
549 C A -1.7267
550 S A -1.6673
551 P A -1.5748
552 D A -2.6994
553 P A -1.8879
554 C A 0.0000
555 H A -2.4277
556 H A -1.8915
557 G A -1.7594
558 R A -2.2029
559 C A -1.1817
560 V A -0.0095
561 D A -1.1426
562 G A 0.1485
563 I A 0.9717
564 A A -0.1850
565 S A 0.0325
566 F A -0.0683
567 S A -0.2419
568 C A -0.9134
569 A A -0.4740
570 C A -0.8361
571 A A -0.5630
572 P A -0.3639
573 G A -0.7260
574 Y A -0.8016
575 T A -0.8062
576 G A -1.0939
577 T A -0.9470
578 R A -2.2122
579 C A 0.0000
580 E A -2.2369
581 S A -1.5606
582 Q A -1.3580
583 V A -1.2382
584 D A -2.4688
585 E A -2.2276
586 C A -2.1949
587 R A -2.9424
588 S A -1.9454
589 Q A -2.6619
590 P A -1.3745
591 C A -1.6528
592 R A -2.8073
593 H A -1.7583
594 G A -1.9970
595 G A -2.1393
596 K A -2.6442
597 C A -1.4966
598 L A -0.4610
599 D A -1.6039
600 L A -0.2176
601 V A 0.0033
602 D A -2.0667
603 K A -1.7645
604 Y A -0.3391
605 L A 0.8625
606 C A -0.6216
607 R A -1.9055
608 C A -1.1716
609 P A -1.3378
610 S A -0.7500
611 G A -0.8680
612 T A 0.0000
613 T A 0.0452
614 G A 0.2455
615 V A 1.4091
616 N A -0.3873
617 C A 0.0000
618 E A -0.6576
619 V A 0.4816
620 N A -0.8374
621 I A -0.3017
622 D A -2.2500
623 D A -2.8062
624 C A -2.0571
625 A A -1.0390
626 S A -1.1795
627 N A -1.3647
628 P A -0.5058
629 C A -0.0316
630 T A 0.3367
631 F A 1.0390
632 G A 0.5713
633 V A 0.7219
634 C A 0.0000
635 R A -2.6819
636 D A -2.7871
637 G A -2.1419
638 I A -0.9709
639 N A -2.2329
640 R A -3.0917
641 Y A -2.6266
642 D A -2.1441
643 C A -0.1658
644 V A 1.1151
645 C A 0.5586
646 Q A -0.9952
647 P A -1.3751
648 G A -1.9162
649 F A -0.6464
650 T A 0.1220
651 G A 0.2897
652 P A -0.0143
653 L A 0.5729
654 C A 0.0000
655 N A -0.3950
656 V A 0.1715
657 E A -1.6821
658 I A -1.1485
659 N A -2.1173
660 E A -2.1990
661 C A -1.1536
662 A A -0.7531
663 S A -0.6241
664 S A -0.6568
665 P A -0.4315
666 C A -0.1445
667 G A -0.5993
668 E A -1.9706
669 G A -1.2337
670 G A -0.3899
671 S A -0.3115
672 C A -0.1994
673 V A -0.6582
674 D A -2.7221
675 G A -2.6766
676 E A -3.4088
677 N A -3.0149
678 G A -2.0861
679 F A -1.5598
680 R A -1.3874
681 C A 0.0567
682 L A 1.2144
683 C A 0.4066
684 P A -0.2256
685 P A -0.2597
686 G A -0.5050
687 S A -0.1723
688 L A 0.5538
689 P A 0.2648
690 P A 0.0995
691 L A 0.5945
692 C A 0.0000
693 L A 0.0583
694 P A -0.4685
695 P A -0.4266
696 S A -0.5036
697 H A -0.6397
698 P A -1.0478
699 C A -0.9424
700 A A -1.0795
701 H A -1.9041
702 E A -1.8219
703 P A -1.4132
704 C A -0.7687
705 S A -1.0771
706 H A -0.7811
707 G A 0.1210
708 I A 1.8414
709 C A 0.3549
710 Y A 0.0771
711 D A -1.7326
712 A A -1.1669
713 P A -0.9562
714 G A -0.9714
715 G A -0.7934
716 F A -1.0741
717 R A -1.2109
718 C A -0.2038
719 V A 1.4314
720 C A -0.1516
721 E A -1.2837
722 P A -1.0345
723 G A -0.7148
724 W A -0.7386
725 S A -0.8061
726 G A -1.0549
727 P A -1.3187
728 R A -2.2232
729 C A 0.0000
730 S A -1.5239
731 Q A -1.3835
732 S A -0.1295
733 L A 0.7981
734 A A -0.5301
735 R A -2.5314
736 D A -3.1386
737 A A -1.8703
738 C A -1.8703
739 E A -2.8296
740 S A -1.7708
741 Q A -1.9208
742 P A -1.4578
743 C A -1.9254
744 R A -2.8168
745 A A -1.2445
746 G A -1.1836
747 G A -1.4867
748 T A -0.5960
749 C A -0.8101
750 S A -0.6853
751 S A -0.9854
752 D A -1.6615
753 G A -1.0187
754 M A 0.3622
755 G A -0.1704
756 F A -0.1875
757 H A -0.9542
758 C A -1.1517
759 T A -0.7938
760 C A -0.9571
761 P A -0.2858
762 P A -0.1555
763 G A 0.2915
764 V A 0.0942
765 Q A -0.6253
766 G A -1.6870
767 R A -2.7032
768 Q A -2.4561
769 C A 0.0000
770 E A -2.1514
771 L A 0.1355
772 L A 1.4418
773 S A 0.4864
774 P A 0.1860
775 C A -0.5104
776 T A -0.4014
777 P A -0.7556
778 N A -2.2732
779 P A -1.3151
780 C A 0.0000
781 E A -3.0929
782 H A -2.3716
783 G A -1.9091
784 G A 0.0000
785 R A -2.6762
786 C A -1.8290
787 E A -1.8026
788 S A -0.7253
789 A A -0.5587
790 P A -0.9130
791 G A -0.7721
792 Q A -0.7303
793 L A 1.0087
794 P A 0.2060
795 V A 0.9582
796 C A -0.8170
797 S A -1.0081
798 C A -1.3663
799 P A -1.6338
800 Q A -1.5238
801 G A 0.0000
802 W A -1.8256
803 Q A -1.9845
804 G A -1.3337
805 P A -0.7825
806 R A -1.7883
807 C A 0.0000
808 Q A -2.3819
809 Q A -2.4070
810 D A -1.6605
811 V A -1.3357
812 D A -1.6081
813 E A -1.4061
814 C A -0.3623
815 A A -0.6629
816 G A -0.7612
817 P A -0.4797
818 A A -0.0831
819 P A -0.2596
820 C A 0.0000
821 G A -0.5399
822 P A -0.5802
823 H A -1.1150
824 G A 0.0323
825 I A 1.7141
826 C A 0.8522
827 T A 0.2999
828 N A -0.2622
829 L A 0.2440
830 A A -0.2142
831 G A -0.8108
832 S A -0.5649
833 F A -0.2429
834 S A 0.1671
835 C A 0.4433
836 T A 0.3901
837 C A -0.5053
838 H A -0.8665
839 G A -0.7703
840 G A -0.6381
841 Y A -1.1588
842 T A -1.3030
843 G A -1.1112
844 P A -1.0368
845 S A -0.9297
846 C A 0.0000
847 D A -2.7004
848 Q A -2.4818
849 D A -1.7476
850 I A -0.8911
851 N A -2.1550
852 D A -1.8628
853 C A -1.9971
854 D A -2.5451
855 P A -1.8491
856 N A -1.6458
857 P A -0.8929
858 C A 0.0000
859 L A -0.3186
860 N A -0.2883
861 G A -0.1479
862 G A 0.0000
863 S A -0.5583
864 C A -1.1927
865 Q A -1.7489
866 D A -1.6642
867 G A -0.3098
868 V A 0.8462
869 G A -0.3129
870 S A -0.2618
871 F A -0.5549
872 S A -0.7959
873 C A -0.6525
874 S A -0.4209
875 C A -0.0646
876 L A 0.7066
877 P A 0.2072
878 G A -0.3763
879 F A 0.0000
880 A A -0.8929
881 G A -1.2563
882 P A -1.1396
883 R A -1.6839
884 C A 0.0000
885 A A -1.3298
886 R A -2.2344
887 D A -1.7026
888 V A -0.4365
889 D A -0.8895
890 E A -0.6043
891 C A -0.4173
892 L A 0.6358
893 S A -0.3132
894 N A -1.1734
895 P A -0.9021
896 C A 0.0000
897 G A -1.4613
898 P A -0.9957
899 G A -0.7792
900 T A -0.6263
901 C A -0.6305
902 T A -1.0591
903 D A -1.5861
904 H A -0.8251
905 V A -0.4808
906 A A -0.1684
907 S A -0.3504
908 F A -0.6569
909 T A -0.1976
910 C A 0.0000
911 T A 0.1291
912 C A -0.2961
913 P A -0.1933
914 P A -0.4497
915 G A 0.0000
916 Y A -1.0689
917 G A -0.9186
918 G A -0.8190
919 F A -0.0255
920 H A -1.3393
921 C A 0.0000
922 E A -2.7104
923 Q A -2.4091
924 D A -2.4365
925 L A -0.9570
926 P A -0.7046
927 D A -0.6694
928 C A -0.2166
929 S A 0.0000
930 P A -0.1632
931 S A 0.1626
932 S A 0.0000
933 C A 0.0000
934 F A -0.4453
935 N A -1.3387
936 G A -0.7856
937 G A -0.2323
938 T A 0.2213
939 C A 0.7236
940 V A 0.7750
941 D A -0.8063
942 G A -0.4640
943 V A -0.1341
944 N A -1.1099
945 S A -0.4146
946 F A 0.2461
947 S A 0.4805
948 C A 0.7976
949 L A 1.4363
950 C A -0.3453
951 R A -1.8198
952 P A -1.1469
953 G A -1.4161
954 Y A -1.2127
955 T A -0.8297
956 G A -0.2729
957 A A 0.1206
958 H A 0.0872
959 C A 0.0000
960 Q A -0.8709
961 H A -1.3699
962 E A -2.1583
963 A A -0.9701
964 D A -0.9222
965 P A -0.7252
966 C A -0.0109
967 L A 0.7214
968 S A -0.4386
969 R A -1.0924
970 P A -0.6548
971 C A -0.5287
972 L A -0.0078
973 H A -0.2742
974 G A -0.1386
975 G A 0.2062
976 V A 1.3275
977 C A 0.3049
978 S A -0.6737
979 A A -0.3884
980 A A -0.9211
981 H A -1.2860
982 P A -0.9921
983 G A -0.7966
984 F A -0.5085
985 R A -1.4574
986 C A -0.3456
987 T A 0.0734
988 C A 0.2952
989 L A 0.6209
990 E A -0.7200
991 S A -0.5099
992 F A -0.0133
993 T A -0.2438
994 G A -0.3332
995 P A -0.8952
996 Q A -1.0219
997 C A 0.0000
998 Q A -0.7997
999 T A -0.2246
1000 L A 0.2517
1001 V A -0.1158
1002 D A -1.6663
1003 W A -1.3592
1004 C A -1.6468
1005 S A -1.9400
1006 R A -2.7547
1007 Q A -2.6704
1008 P A -1.7406
1009 C A -1.6851
1010 Q A -2.2875
1011 N A -1.8191
1012 G A -1.3457
1013 G A -1.4088
1014 R A -1.6173
1015 C A 0.0000
1016 V A -0.0626
1017 Q A -0.7214
1018 T A -0.4761
1019 G A -0.3551
1020 A A -0.3954
1021 Y A 0.1364
1022 C A 0.0000
1023 L A 0.7210
1024 C A -0.4357
1025 P A -0.2837
1026 P A -0.3392
1027 G A -0.7167
1028 W A -1.0641
1029 S A -0.7518
1030 G A -1.0471
1031 R A -1.4116
1032 L A -1.1281
1033 C A 0.0000
1034 D A -1.8560
1035 I A 0.0000
1036 R A -1.8833
1037 S A -1.5713
1038 L A -1.6420
1039 P A -2.1026
1040 C A 0.0000
1041 R A -2.9726
1042 E A -2.1312
1043 A A 0.0000
1044 A A 0.0000
1045 A A -1.1351
1046 Q A -0.8193
1047 I A 1.0545
1048 G A -0.1431
1049 V A -0.7254
1050 R A -2.3129
1051 L A -2.0343
1052 E A -3.3071
1053 Q A -2.9988
1054 L A 0.0000
1055 C A 0.0000
1056 Q A -2.6197
1057 A A -1.8805
1058 G A -1.5222
1059 G A 0.0000
1060 Q A -1.3529
1061 C A 0.0000
1062 V A -0.8195
1063 D A -2.8799
1064 E A -3.2193
1065 D A -3.0888
1066 S A -2.0197
1067 S A -1.8905
1068 H A 0.0000
1069 Y A 0.0384
1070 C A 0.3565
1071 V A 0.9799
1072 C A -0.6772
1073 P A -1.3508
1074 E A -1.8934
1075 G A 0.0000
1076 R A -2.1697
1077 T A -1.5209
1078 G A -1.2907
1079 S A -0.8403
1080 H A -1.0683
1081 C A 0.0000
1082 E A -2.2100
1083 Q A -2.6442
1084 E A -2.9364
1085 V A -1.5947
1086 D A -1.7591
1087 P A -0.8974
1088 C A 0.0000
1089 L A 0.4398
1090 A A -0.0550
1091 Q A -0.8863
1092 P A -0.9393
1093 C A -1.9485
1094 Q A -2.0942
1095 H A -1.7497
1096 G A -1.0850
1097 G A -1.5575
1098 T A -1.3048
1099 C A -1.1664
1100 R A -1.9374
1101 G A -0.4015
1102 Y A 0.7648
1103 M A 0.6093
1104 G A -0.6260
1105 G A -0.1822
1106 Y A -0.5030
1107 M A -0.6000
1108 C A -1.8110
1109 E A -2.2091
1110 C A -1.5944
1111 L A 0.1472
1112 P A -0.2280
1113 G A -0.9486
1114 Y A -2.2094
1115 N A -3.2424
1116 G A -3.2076
1117 D A -2.9923
1118 N A -2.7831
1119 C A 0.0000
1120 E A -3.9065
1121 D A -4.3652
1122 D A -3.4274
1123 V A -2.1920
1124 D A -2.9064
1125 E A -2.3499
1126 C A -1.8630
1127 A A -1.3098
1128 S A -1.1756
1129 Q A -1.7130
1130 P A -0.7238
1131 C A 0.0000
1132 Q A -1.3216
1133 H A -0.7405
1134 G A -1.0009
1135 G A 0.0000
1136 S A -0.6804
1137 C A -0.6920
1138 I A 0.0000
1139 D A -2.2550
1140 L A -0.8877
1141 V A 0.3927
1142 A A -0.5990
1143 R A -1.7433
1144 Y A -1.0012
1145 L A 0.0632
1146 C A 0.0000
1147 S A 0.0000
1148 C A 0.0000
1149 P A -0.4213
1150 P A -0.3083
1151 G A -0.7280
1152 T A 0.0000
1153 L A 0.5385
1154 G A 1.0141
1155 V A 2.0032
1156 L A 0.8307
1157 C A 0.0000
1158 E A -0.2909
1159 I A 0.5863
1160 N A -1.1330
1161 E A -1.9738
1162 D A -2.3883
1163 D A -1.6049
1164 C A -0.9713
1165 G A -1.1489
1166 P A -1.1695
1167 G A -1.1565
1168 P A -0.5691
1169 P A -0.6063
1170 L A 0.3304
1171 D A -1.6055
1172 S A -1.3612
1173 G A -1.1504
1174 P A -1.1878
1175 R A -0.9509
1176 C A 0.0000
1177 L A -0.4735
1178 H A -1.2203
1179 N A -1.5778
1180 G A -0.8095
1181 T A -0.7000
1182 C A -0.3206
1183 V A 0.0000
1184 D A -0.5584
1185 L A 0.4437
1186 V A 0.6932
1187 G A -0.4237
1188 G A -0.2890
1189 F A -0.0354
1190 R A -0.2909
1191 C A 0.0000
1192 T A -0.2586
1193 C A -0.2113
1194 P A -0.5023
1195 P A -0.2271
1196 G A -0.5062
1197 Y A -0.2351
1198 T A 0.2890
1199 G A 0.5525
1200 L A 1.0550
1201 R A 0.0922
1202 C A 0.0000
1203 E A -0.0074
1204 A A 0.0000
1205 D A -0.6232
1206 I A -0.1387
1207 N A -1.1188
1208 E A -1.6172
1209 C A -1.5984
1210 R A -2.2320
1211 S A -1.5134
1212 G A -1.4316
1213 A A 0.0000
1214 C A -1.6604
1215 H A -1.4204
1216 A A -0.6866
1217 A A -0.5079
1218 H A -0.6044
1219 T A -0.9052
1220 R A -0.5083
1221 D A 0.0000
1222 C A -1.0123
1223 L A -0.9496
1224 Q A -1.7169
1225 D A -2.4789
1226 P A -1.1858
1227 G A -1.0881
1228 G A -0.9446
1229 G A -1.2599
1230 F A -1.5875
1231 R A -2.2413
1232 C A 0.0000
1233 L A -0.2315
1234 C A -0.3996
1235 H A -0.1018
1236 A A 0.3003
1237 G A 0.0000
1238 F A 0.5790
1239 S A -0.0579
1240 G A -0.8781
1241 P A -1.5901
1242 R A -2.3425
1243 C A 0.0000
1244 Q A -1.4062
1245 T A 0.0179
1246 V A 1.7942
1247 L A 0.9900
1248 S A -0.1662
1249 P A 0.0000
1250 C A -1.6992
1251 E A -2.2018
1252 S A -1.6085
1253 Q A -2.5655
1254 P A -1.7117
1255 C A 0.0000
1256 Q A -2.2506
1257 H A -1.5097
1258 G A -1.5547
1259 G A -2.1090
1260 Q A -2.4838
1261 C A 0.0000
1262 R A -2.3152
1263 P A -0.9419
1264 S A -0.4393
1265 P A -0.3455
1266 G A -0.4162
1267 P A -0.6856
1268 G A -0.9280
1269 G A -0.8692
1270 G A 0.0000
1271 L A 0.4418
1272 T A -0.0974
1273 F A -0.6475
1274 T A -1.1054
1275 C A -1.8514
1276 H A -1.8559
1277 C A -1.3179
1278 A A -0.6750
1279 Q A -0.5680
1280 P A 0.0000
1281 F A 0.0000
1282 W A -1.0740
1283 G A -1.1248
1284 P A -1.1530
1285 R A -2.1627
1286 C A 0.0000
1287 E A -1.6558
1288 R A -1.8863
1289 V A -0.8688
1290 A A 0.0000
1291 R A -2.5845
1292 S A -1.7648
1293 C A -1.7278
1294 R A -1.7250
1295 E A -1.4903
1296 L A 0.0000
1297 Q A -1.1726
1298 C A -0.4273
1299 P A 0.3290
1300 V A 1.4220
1301 G A 0.4813
1302 V A 0.1891
1303 P A -0.4603
1304 C A -1.2467
1305 Q A -1.8089
1306 Q A -2.7504
1307 T A -1.7890
1308 P A -1.4445
1309 R A -2.1263
1310 G A -1.9021
1311 P A 0.0000
1312 R A -2.0041
1313 C A -0.9815
1314 A A -0.6153
1315 C A -0.4829
1316 P A -0.1802
1317 P A -0.1376
1318 G A -0.1128
1319 L A 0.0666
1320 S A -0.3492
1321 G A -0.7231
1322 P A -0.8513
1323 S A -1.0004
1324 C A 0.0000
1325 R A -1.5578
1326 S A -0.3896
1327 F A 1.0613
1328 P A -0.0436
1329 G A -0.2438
1330 S A -0.4049
1331 P A -0.8215
1332 P A -0.7936
1333 G A -0.9196
1334 A A -0.8529
1335 S A -1.2229
1336 N A -1.6851
1337 A A -0.7104
1338 S A -0.8930
1339 C A -0.9158
1340 A A -0.1787
1341 A A -0.0350
1342 A A 0.0828
1343 P A 0.0000
1344 C A -0.6796
1345 L A -0.2146
1346 H A -1.0034
1347 G A -0.6698
1348 G A -0.9246
1349 S A -0.8649
1350 C A -1.4263
1351 R A -2.6717
1352 P A -1.5777
1353 A A 0.0000
1354 P A -0.3884
1355 L A 0.6039
1356 A A -0.1657
1357 P A -0.1718
1358 F A 0.0000
1359 F A -1.2970
1360 R A -2.2540
1361 C A -1.2878
1362 A A -0.8050
1363 C A -0.6372
1364 A A -0.6546
1365 Q A -1.2984
1366 G A -0.7482
1367 W A -0.6135
1368 T A -0.5893
1369 G A -0.6025
1370 P A -1.0037
1371 R A -1.0138
1372 C A 0.0000
1373 E A -1.3861
1374 A A -0.7708
1375 P A -0.6753
1376 A A -0.4255
1377 A A -0.4223
1378 A A -0.2754
1379 P A -0.7430
1380 E A -1.6192
1381 V A -0.3277
1382 S A -1.7012
1383 E A -3.0202
1384 E A -3.1518
1385 P A -2.3236
1386 R A -3.1097
1387 C A -1.9259
1388 P A -1.8055
1389 R A -2.1932
1390 A A -1.1137
1391 A A -1.4939
1392 C A 0.0000
1393 Q A -2.3443
1394 A A -1.9754
1395 K A -3.2436
1396 R A -3.8920
1397 G A -3.2499
1398 D A -3.8158
1399 Q A -3.3221
1400 R A -3.5128
1401 C A -2.4087
1402 D A -2.9451
1403 R A -3.2506
1404 E A -3.0320
1405 C A 0.0000
1406 N A -1.4889
1407 S A -1.3132
1408 P A -1.2103
1409 G A -1.6289
1410 C A -1.6583
1411 G A -0.7567
1412 W A 0.0000
1413 D A 0.0000
1414 G A -2.1572
1415 G A 0.0000
1416 D A -2.4136
1417 C A 0.0000
1418 S A 0.0000
1419 L A 0.0000
1420 S A -1.0573
1421 V A 0.0000
1422 G A -0.8661
1423 D A -1.4498
1424 P A 0.0000
1425 W A 0.0000
1426 R A -2.1793
1427 Q A -2.1798
1428 C A -1.5684
1429 E A -1.9898
1430 A A -0.6871
1431 L A -0.1574
1432 Q A -1.0381
1433 C A 0.0000
1434 W A -0.9318
1435 R A -2.0553
1436 L A -1.6612
1437 F A 0.0000
1438 N A -2.2683
1439 N A -1.9261
1440 S A -1.6101
1441 R A -2.1837
1442 C A -0.8179
1443 D A -0.7844
1444 P A -0.5041
1445 A A -0.4367
1446 C A 0.0000
1447 S A -0.2348
1448 S A -0.6658
1449 P A -0.6902
1450 A A -1.0336
1451 C A 0.0000
1452 L A 0.0000
1453 Y A 0.0000
1454 D A 0.0000
1455 N A 0.0000
1456 F A 0.0000
1457 D A -1.3060
1458 C A -0.4796
1459 H A -0.7632
1460 A A -1.0005
1461 G A -1.5567
1462 G A -1.7780
1463 R A -2.3843
1464 E A -3.1419
1465 R A -3.2559
1466 T A -2.0507
1467 C A 0.0000
1468 N A -1.2946
1469 P A -0.2309
1470 V A 1.2244
1471 Y A 0.3366
1472 E A -1.1578
1473 K A -1.8999
1474 Y A -0.6623
1475 C A 0.0000
1476 A A 0.0000
1477 D A -2.5167
1478 H A -2.1757
1479 F A 0.0000
1480 A A -1.7176
1481 D A -2.8622
1482 G A -2.1757
1483 R A -2.6296
1484 C A -1.3962
1485 D A -1.5632
1486 Q A -1.7320
1487 G A -1.0765
1488 C A 0.0000
1489 N A -0.8025
1490 T A -0.6048
1491 E A 0.0000
1492 E A 0.0000
1493 C A 0.0000
1494 G A 0.0000
1495 W A -0.1980
1496 D A 0.0000
1497 G A 0.0000
1498 L A 0.0000
1499 D A -1.5325
1500 C A -0.8518
1501 A A 0.0000
1502 S A -1.2233
1503 E A -1.8630
1504 V A -0.5473
1505 P A -0.1997
1506 A A 0.4787
1507 L A 1.4198
1508 L A 0.5638
1509 A A 0.0000
1510 R A -1.9304
1511 G A -1.7249
1512 V A 0.0000
1513 L A 0.0000
1514 V A -0.7641
1515 L A 0.0000
1516 T A 0.0000
1517 V A 0.0000
1518 L A 0.7507
1519 L A 0.1764
1520 P A -0.2686
1521 P A -0.8101
1522 E A -2.6944
1523 E A -2.8367
1524 L A 0.0000
1525 L A -1.4048
1526 R A -2.6215
1527 S A -1.6982
1528 S A -1.1948
1529 A A -1.3324
1530 D A -1.4530
1531 F A 0.0000
1532 L A 0.0000
1533 Q A 0.0000
1534 R A -0.9394
1535 L A 0.0000
1536 S A 0.0000
1537 A A -0.2667
1538 I A 0.0030
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 -0.8269
1545 F A -0.2659
1546 R A -0.2273
1547 L A 0.2502
1548 D A -0.6736
1549 A A -0.7444
1550 H A -1.4520
1551 G A -1.1966
1552 Q A -1.3428
1553 A A -0.1159
1554 M A 0.5538
1555 V A 0.8036
1556 F A 1.3455
1557 P A 0.3238
1558 Y A 0.0890
1559 H A -1.3162
1560 R A -2.4499
1561 P A -1.6860
1562 S A -1.3941
1563 P A -1.1483
1564 G A -1.5459
1565 S A -1.7417
1566 E A -2.8027
1567 P A -2.4264
1568 R A -3.6058
1569 A A -2.8662
1570 R A -3.6342
1571 R A -3.4066
1572 E A -2.7140
1573 L A -0.5408
1574 A A -0.4783
1575 P A -1.2723
1576 E A -1.6748
1577 V A -0.0195
1578 I A -0.0852
1579 G A 0.0000
1580 S A 0.0000
1581 V A 0.8896
1582 V A 0.0000
1583 M A 0.0862
1584 L A 0.0000
1585 E A -0.7297
1586 I A 0.0000
1587 D A 0.0000
1588 N A 0.0000
1589 R A 0.5174
1590 L A 0.1763
1591 C A 0.0000
1592 L A -0.0641
1593 Q A -1.2131
1594 S A -1.2787
1595 P A -1.6234
1596 E A -2.4845
1597 N A 0.0000
1598 D A -2.3616
1599 H A -1.1832
1600 C A 0.0000
1601 F A 0.0000
1602 P A -0.8101
1603 D A -1.6071
1604 A A 0.0000
1605 Q A -1.6109
1606 S A -0.9728
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 -1.0647
1616 A A 0.0000
1617 V A -1.4489
1618 E A -2.7158
1619 R A -2.9548
1620 L A -1.7597
1621 D A -2.3460
1622 F A -0.9451
1623 P A -0.5947
1624 Y A -0.1890
1625 P A 0.0233
1626 L A 0.0209
1627 R A -0.8034
1628 D A -0.9048
1629 V A 0.0000
1630 R A -2.3245
1631 G A -1.9749
1632 E A -2.2682
1633 P A -1.6924
1634 L A -0.7343
1635 E A -2.0783
1636 P A -1.5477
1637 P A -1.7280
1638 E A -2.2929
1639 P A -0.7586
1640 S A -0.0319
1641 V A 1.7242
1642 P A 1.4020
1643 L A 2.8399
1644 L A 3.2318
1645 P A 2.3832
1646 L A 3.3419
1647 L A 4.1638
1648 V A 3.8775
1649 A A 2.7739
1650 G A 2.9240
1651 A A 3.6704
1652 V A 4.4814
1653 L A 4.7792
1654 L A 4.9139
1655 L A 5.3078
1656 V A 5.4065
1657 I A 5.3372
1658 L A 5.2540
1659 V A 5.0820
1660 L A 4.7927
1661 G A 3.7972
1662 V A 3.7236
1663 M A 2.8101
1664 V A 2.1817
1665 A A 0.0732
1666 R A -2.4532
1667 R A -3.8684
1668 K A -4.6567
1669 R A -4.6312
1670 E A -3.9509
1671 H A -2.4883
1672 S A -0.9336
1673 T A 0.6854
1674 L A 2.4545
1675 W A 2.5838
1676 F A 2.6585
1677 P A 0.7712
1678 E A -0.9150
1679 G A -0.0304
1680 F A 1.6381
1681 S A 0.5046
1682 L A 0.7218
1683 H A -1.1674
1684 K A -2.1327
1685 D A -1.8632
1686 V A 0.1563
1687 A A -0.2515
1688 S A -0.5948
1689 G A -1.2705
1690 H A -2.4251
1691 K A -3.0436
1692 G A -3.0690
1693 R A -3.9036
1694 R A -3.9028
1695 E A -3.0302
1696 P A -0.7978
1697 V A 0.5502
1698 G A -0.6125
1699 Q A -1.7613
1700 D A -1.8921
1701 A A -0.4202
1702 L A 0.7556
1703 G A 0.3149
1704 M A 0.0705
1705 K A -1.5018
1706 N A -1.3665
1707 M A -0.3159
1708 A A -0.7402
1709 K A -2.1263
1710 G A -2.4569
1711 E A -2.2861
1712 S A -0.2584
1713 L A 1.4938
1714 M A 1.0870
1715 G A -0.0702
1716 E A -0.9046
1717 V A 0.5976
1718 A A 0.1875
1719 T A -0.2791
1720 D A -0.7304
1721 W A 0.2729
1722 M A 0.2056
1723 D A -1.3380
1724 T A -1.5251
1725 E A -2.1292
1726 C A -0.6632
1727 P A -1.4779
1728 E A -2.7047
1729 A A -1.9784
1730 K A -2.9703
1731 R A -2.3337
1732 L A -0.3733
1733 K A -1.6804
1734 V A -0.3671
1735 E A -2.3377
1736 E A -2.5988
1737 P A -1.4260
1738 G A -1.2592
1739 M A -0.1834
1740 G A -1.2258
1741 A A -1.1941
1742 E A -2.3410
1743 E A -2.1729
1744 A A -0.6627
1745 V A 0.5541
1746 D A -0.3804
1747 C A 0.3009
1748 R A -0.8181
1749 Q A -1.1694
1750 W A 0.1077
1751 T A -0.4090
1752 Q A -0.5287
1753 H A -0.1068
1754 H A 0.0000
1755 L A 1.2486
1756 V A 1.5580
1757 A A 0.0000
1758 A A 0.6417
1759 D A 0.4763
1760 I A 1.5503
1761 R A -0.3159
1762 V A 0.9042
1763 A A 0.3823
1764 P A 0.3472
1765 A A 0.9793
1766 M A 1.7316
1767 A A 1.3047
1768 L A 1.7472
1769 T A 0.5199
1770 P A -0.3701
1771 P A -1.1260
1772 Q A -2.0192
1773 G A -2.2684
1774 D A -2.8175
1775 A A -2.3634
1776 D A -2.9426
1777 A A -2.1896
1778 D A -2.7780
1779 G A -1.9811
1780 M A -1.6512
1781 D A -2.3124
1782 V A 0.0000
1783 N A -1.5509
1784 V A -0.8299
1785 R A -1.3773
1786 G A 0.0000
1787 P A -0.7196
1788 D A -1.7276
1789 G A 0.0000
1790 F A -0.6805
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 0.5616
1799 C A 0.3238
1800 G A -0.3378
1801 G A -0.0696
1802 A A 0.0885
1803 L A 0.8400
1804 E A -1.0038
1805 P A -0.2040
1806 M A 0.4049
1807 P A -1.3854
1808 T A -1.7947
1809 E A -3.3779
1810 E A -4.0868
1811 D A -4.3347
1812 E A -4.3423
1813 A A -3.0845
1814 D A -3.5716
1815 D A -2.9412
1816 T A -1.6673
1817 S A -1.1084
1818 A A -1.4045
1819 S A -1.3190
1820 I A -0.4171
1821 I A 0.0000
1822 S A -0.8625
1823 D A -1.7307
1824 L A 0.0000
1825 I A -0.6442
1826 C A -0.3605
1827 Q A -1.9845
1828 G A -1.4919
1829 A A 0.0000
1830 Q A -1.6169
1831 L A -1.0657
1832 G A -1.3033
1833 A A 0.0000
1834 R A -1.9532
1835 T A 0.0000
1836 D A -3.0898
1837 R A -2.9113
1838 T A -1.5911
1839 G A -1.7267
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 0.1592
1849 Y A 1.0816
1850 A A 0.2506
1851 R A 0.0000
1852 A A -0.6028
1853 D A -1.1505
1854 A A 0.0000
1855 A A 0.0000
1856 K A -1.9286
1857 R A -1.8460
1858 L A 0.0000
1859 L A -1.7126
1860 D A -2.3232
1861 A A -1.3159
1862 G A -1.5945
1863 A A -1.7847
1864 D A -2.2184
1865 T A 0.0000
1866 N A -1.6560
1867 A A 0.0000
1868 Q A -1.4239
1869 D A 0.0000
1870 H A -1.1420
1871 S A -0.3662
1872 G A -0.8068
1873 R A 0.0000
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 0.0000
1882 A A 0.0212
1883 D A -0.5214
1884 A A 0.0000
1885 Q A -0.5450
1886 G A -0.4393
1887 V A 0.0000
1888 F A 0.0000
1889 Q A -0.7531
1890 I A -0.7291
1891 L A 0.0000
1892 I A -1.4601
1893 R A -2.3589
1894 N A -2.1965
1895 R A -2.7304
1896 S A -2.0597
1897 T A 0.0000
1898 D A -1.9955
1899 L A -1.6010
1900 D A -1.8031
1901 A A -1.4506
1902 R A -1.7199
1903 M A -1.1015
1904 A A -0.9105
1905 D A -1.2664
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 0.0027
1916 L A 0.0259
1917 A A -0.6720
1918 V A 0.0000
1919 E A -2.5924
1920 G A -2.4379
1921 M A 0.0000
1922 V A 0.0000
1923 E A -2.9763
1924 E A -2.1188
1925 L A 0.0000
1926 I A 0.0000
1927 A A -1.1858
1928 S A -1.3691
1929 H A -1.6634
1930 A A 0.0000
1931 D A -1.8171
1932 V A -1.3586
1933 N A -1.1528
1934 A A -0.6873
1935 V A -0.2463
1936 D A 0.0000
1937 E A -1.6331
1938 L A -0.2767
1939 G A -0.5891
1940 K A -0.4713
1941 S A 0.0000
1942 A A 0.0000
1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.2656
1946 A A 0.0000
1947 A A 0.0000
1948 A A -0.1845
1949 V A 0.4514
1950 N A -0.6464
1951 N A 0.0000
1952 V A -0.6814
1953 E A -2.0014
1954 A A 0.0000
1955 T A 0.0000
1956 L A -0.6460
1957 A A 0.0000
1958 L A 0.0000
1959 L A 0.0000
1960 K A -2.1216
1961 N A -2.1662
1962 G A -1.8567
1963 A A 0.0000
1964 N A -2.0497
1965 K A -1.5745
1966 D A -1.4936
1967 M A -1.2657
1968 Q A -1.7379
1969 D A 0.0000
1970 S A -1.4005
1971 K A -2.1304
1972 E A -2.5072
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 -2.0992
1982 E A -1.8598
1983 G A -1.4162
1984 S A 0.0000
1985 Y A -1.0618
1986 E A -1.5465
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.8310
1990 L A -1.2079
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8742
1994 H A -1.0157
1995 F A -0.5671
1996 A A 0.0000
1997 N A -1.3314
1998 R A -1.6099
1999 E A -2.1273
2000 I A -1.3350
2001 T A -1.4511
2002 D A 0.0000
2003 H A -1.8037
2004 L A -0.8039
2005 D A -1.1625
2006 R A -1.2518
2007 L A -1.1500
2008 P A 0.0000
2009 R A -2.9796
2010 D A -2.6097
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -3.2448
2014 E A -3.3995
2015 R A -3.1388
2016 L A -1.1104
2017 H A -2.2080
2018 Q A -2.5133
2019 D A -2.1016
2020 I A 0.0000
2021 V A 0.0000
2022 R A -3.5980
2023 L A 0.0000
2024 L A 0.0000
2025 D A -3.2585
2026 Q A -2.5838
2027 P A -1.6116
2028 S A -1.6127
2029 G A -1.3837
2030 P A -1.5026
2031 R A -2.1316
2032 S A -1.4166
2033 P A -1.2641
2034 P A -1.2232
2035 G A -1.2061
2036 P A -0.9942
2037 H A -1.1791
2038 G A -0.5549
2039 L A 0.9694
2040 G A 0.5242
2041 P A 1.2851
2042 L A 2.5082
2043 L A 2.3918
2044 C A 1.6531
2045 P A 0.5611
2046 P A 0.1571
2047 G A 0.2635
2048 A A 1.1320
2049 F A 2.4210
2050 L A 2.4502
2051 P A 1.0884
2052 G A 0.3793
2053 L A 0.6682
2054 K A -1.1946
2055 A A -0.7928
2056 A A -0.8951
2057 Q A -1.6230
2058 S A -1.2584
2059 G A -1.3428
2060 S A -1.8652
2061 K A -2.8222
2062 K A -3.0998
2063 S A -2.8838
2064 R A -3.3168
2065 R A -3.0212
2066 P A -2.0714
2067 P A -1.6675
2068 G A -1.7102
2069 K A -2.1006
2070 A A -0.7891
2071 G A -0.2013
2072 L A 1.0374
2073 G A -0.1770
2074 P A -0.8392
2075 Q A -1.7194
2076 G A -1.6896
2077 P A -1.7560
2078 R A -2.8105
2079 G A -2.6332
2080 R A -3.4234
2081 G A -2.7283
2082 K A -2.8991
2083 K A -1.9263
2084 L A 0.6123
2085 T A 0.8178
2086 L A 1.9344
2087 A A 1.2395
2088 C A 0.9805
2089 P A 0.3313
2090 G A -0.0954
2091 P A 0.0963
2092 L A 0.8517
2093 A A -0.2845
2094 D A -1.3682
2095 S A -0.3806
2096 S A 0.2129
2097 V A 1.7691
2098 T A 1.3635
2099 L A 2.1129
2100 S A 0.9179
2101 P A 0.3269
2102 V A 1.0537
2103 D A -0.9884
2104 S A -0.6114
2105 L A 0.2655
2106 D A -1.7021
2107 S A -1.2105
2108 P A -1.4026
2109 R A -1.9282
2110 P A -0.3942
2111 F A 0.9948
2112 G A -0.0056
2113 G A -0.4651
2114 P A -0.7088
2115 P A -0.5017
2116 A A -0.2961
2117 S A -0.4697
2118 P A -0.4786
2119 G A -0.4351
2120 G A 0.3115
2121 F A 1.6491
2122 P A 0.7723
2123 L A 0.8336
2124 E A -1.2202
2125 G A -0.8827
2126 P A -0.1398
2127 Y A 1.1387
2128 A A 0.7659
2129 A A 0.3828
2130 A A 0.0731
2131 T A -0.0100
2132 A A 0.0133
2133 T A 0.3567
2134 A A 0.8363
2135 V A 2.0168
2136 S A 1.5081
2137 L A 1.6016
2138 A A 0.5706
2139 Q A -0.1534
2140 L A 0.6049
2141 G A -0.1446
2142 G A -0.8012
2143 P A -1.2654
2144 G A -1.6258
2145 R A -2.2511
2146 A A -0.8831
2147 G A -0.2189
2148 L A 0.6499
2149 G A -1.1665
2150 R A -2.4639
2151 Q A -2.4045
2152 P A -1.4799
2153 P A -0.8928
2154 G A -0.4826
2155 G A 0.2290
2156 C A 1.6115
2157 V A 2.8466
2158 L A 2.8330
2159 S A 1.7317
2160 L A 2.3505
2161 G A 1.5016
2162 L A 2.2447
2163 L A 1.9369
2164 N A 0.1156
2165 P A 0.7233
2166 V A 1.9007
2167 A A 1.6704
2168 V A 2.1879
2169 P A 0.9922
2170 L A 1.0999
2171 D A -0.2134
2172 W A 0.4446
2173 A A -0.0860
2174 R A -0.8519
2175 L A 0.5273
2176 P A -0.1336
2177 P A -0.2976
2178 P A -0.2850
2179 A A -0.4010
2180 P A -0.6006
2181 P A -0.7308
2182 G A -0.6101
2183 P A -0.0022
2184 S A 1.0241
2185 F A 2.8412
2186 L A 3.1361
2187 L A 2.9981
2188 P A 1.8489
2189 L A 1.6706
2190 A A 0.6852
2191 P A -0.1732
2192 G A -0.8146
2193 P A -0.7859
2194 Q A -0.2174
2195 L A 1.3434
2196 L A 1.3664
2197 N A -0.4548
2198 P A -0.9015
2199 G A -0.9909
2200 T A -0.1216
2201 P A 0.4655
2202 V A 1.3228
2203 S A 0.0042
2204 P A -1.1560
2205 Q A -2.6459
2206 E A -3.5390
2207 R A -3.2124
2208 P A -1.9782
2209 P A -0.4771
2210 P A 0.5736
2211 Y A 1.9152
2212 L A 2.4957
2213 A A 1.9657
2214 V A 1.8913
2215 P A 0.2376
2216 G A -0.7538
2217 H A -1.9463
2218 G A -2.4387
2219 E A -2.9944
2220 E A -2.3490
2221 Y A -0.0716
2222 P A 0.0112
2223 A A 0.1377
2224 A A -0.2238
2225 G A -0.6247
2226 A A -0.6777
2227 H A -1.2195
2228 S A -0.8959
2229 S A -0.7027
2230 P A -0.8479
2231 P A -1.2417
2232 K A -2.2875
2233 A A -1.3962
2234 R A -0.9857
2235 F A 1.4736
2236 L A 1.5690
2237 R A 0.2092
2238 V A 1.0257
2239 P A -0.2471
2240 S A -1.0618
2241 E A -2.5515
2242 H A -1.8014
2243 P A -0.1853
2244 Y A 1.7338
2245 L A 2.0668
2246 T A 0.8294
2247 P A -0.1039
2248 S A -0.9110
2249 P A -1.4264
2250 E A -2.1686
2251 S A -1.7647
2252 P A -1.8564
2253 E A -2.2076
2254 H A -1.2528
2255 W A 0.1161
2256 A A 0.2393
2257 S A -0.1425
2258 P A -0.3967
2259 S A -0.5912
2260 P A -0.4547
2261 P A -0.1860
2262 S A 0.0709
2263 L A 0.9368
2264 S A -0.2077
2265 D A -1.1869
2266 W A -0.1197
2267 S A -1.0551
2268 E A -1.9515
2269 S A -1.1835
2270 T A -0.7513
2271 P A -0.4935
2272 S A -0.4660
2273 P A -0.4099
2274 A A -0.1579
2275 T A -0.0850
2276 A A -0.1286
2277 T A -0.2719
2278 G A -0.2412
2279 A A 0.3361
2280 M A 1.0017
2281 A A 0.6112
2282 T A 0.1506
2283 T A -0.2363
2284 T A -0.3477
2285 G A -0.1623
2286 A A 0.5173
2287 L A 1.3535
2288 P A 0.2799
2289 A A -0.4040
2290 Q A -0.9925
2291 P A -0.1370
2292 L A 1.3389
2293 P A 1.2475
2294 L A 1.9968
2295 S A 1.4008
2296 V A 1.8107
2297 P A 0.4245
2298 S A 0.2699
2299 S A 0.5114
2300 L A 1.1407
2301 A A -0.0031
2302 Q A -1.0643
2303 A A -1.1979
2304 Q A -1.7110
2305 T A -0.9087
2306 Q A -0.7119
2307 L A 0.5751
2308 G A -0.3786
2309 P A -0.8349
2310 Q A -1.8050
2311 P A -1.3930
2312 E A -1.3633
2313 V A 0.5867
2314 T A -0.0571
2315 P A -1.4056
2316 K A -2.8313
2317 R A -2.8739
2318 Q A -1.3138
2319 V A 1.3046
2320 L A 2.1782
2321 A A 1.2167
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 -0.053 7.1133 View CSV PDB
4.5 -0.1364 7.0436 View CSV PDB
5.0 -0.2379 6.9422 View CSV PDB
5.5 -0.3435 6.8261 View CSV PDB
6.0 -0.4406 6.7135 View CSV PDB
6.5 -0.5212 6.6225 View CSV PDB
7.0 -0.5845 6.5667 View CSV PDB
7.5 -0.6358 6.5413 View CSV PDB
8.0 -0.679 6.5319 View CSV PDB
8.5 -0.7126 6.5288 View CSV PDB
9.0 -0.733 6.5278 View CSV PDB