Project name: C446S

Status: done

Started: 2026-06-02 01:54:47
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATSLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations Yes
alphaCutter usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:23:11)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/2d41ba22c57a16d/tmp/folded.pdb                (00:23:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:53:12)
Show buried residues

Minimal score value
-4.8397
Maximal score value
6.0119
Average score
-0.7471
Total score value
-1734.0587

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 0.7150
2 G A -0.1993
3 P A -0.6824
4 G A -1.0121
5 A A -1.5080
6 R A -2.8400
7 G A -2.8762
8 R A -4.0956
9 R A -4.6326
10 R A -4.8397
11 R A -4.8061
12 R A -4.2332
13 R A -3.2732
14 P A -1.3614
15 M A 0.0045
16 S A -0.1919
17 P A -0.3606
18 P A -0.5128
19 P A -0.6823
20 P A -0.6900
21 P A -0.3786
22 P A -0.3130
23 P A -0.0790
24 V A 0.8293
25 R A -0.7219
26 A A 0.5757
27 L A 1.6027
28 P A 1.8669
29 L A 3.6869
30 L A 4.0792
31 L A 3.9336
32 L A 3.8044
33 L A 3.2275
34 A A 1.5465
35 G A 0.0919
36 P A -0.2696
37 G A -0.6755
38 A A -0.3093
39 A A -0.3954
40 A A -0.4645
41 P A -1.1571
42 P A -0.9112
43 C A -0.8117
44 L A 0.0298
45 D A -1.3856
46 G A -0.9467
47 S A -0.6861
48 P A -0.8444
49 C A -1.1206
50 A A -1.3792
51 N A -1.7609
52 G A -1.2443
53 G A -1.0696
54 R A -1.3848
55 C A 0.0145
56 T A -0.5730
57 Q A -1.7028
58 L A -1.1808
59 P A -1.1208
60 S A -1.6854
61 R A -2.9937
62 E A -2.7619
63 A A 0.0000
64 A A -0.8048
65 C A -0.5186
66 L A 0.7326
67 C A -0.0114
68 P A -0.1793
69 P A -0.4216
70 G A -0.9687
71 W A -1.0275
72 V A -0.7973
73 G A -0.9227
74 E A -1.8475
75 R A -1.6389
76 C A 0.0000
77 Q A -2.1221
78 L A -1.6413
79 E A -2.4014
80 D A -1.6385
81 P A -1.3635
82 C A -0.9661
83 H A -1.5945
84 S A -1.1470
85 G A -0.8520
86 P A -0.3813
87 C A -0.7461
88 A A -0.5372
89 G A -1.0245
90 R A -1.6583
91 G A -1.0574
92 V A 0.4823
93 C A -0.2326
94 Q A -0.7758
95 S A -0.4824
96 S A -0.0143
97 V A 0.7915
98 V A 1.6219
99 A A 0.6502
100 G A -0.2501
101 T A -0.1459
102 A A 0.0000
103 R A -1.3617
104 F A -0.4991
105 S A -0.8330
106 C A -0.9132
107 R A -1.7220
108 C A -1.0835
109 P A -1.2515
110 R A -1.7514
111 G A -0.3353
112 F A -0.2859
113 R A -0.6741
114 G A -0.5719
115 P A -0.7545
116 D A -0.7705
117 C A 0.0000
118 S A -0.3020
119 L A 0.3731
120 P A -0.0869
121 D A -0.0809
122 P A 0.2003
123 C A 0.4178
124 L A 0.8298
125 S A 0.3040
126 S A -0.0901
127 P A -0.3806
128 C A -1.1847
129 A A -1.4979
130 H A -1.7070
131 G A -1.2807
132 A A -1.6128
133 R A -1.8828
134 C A -0.4260
135 S A -0.1059
136 V A 0.2293
137 G A 0.0000
138 P A -1.1572
139 D A -2.1825
140 G A -1.3769
141 R A -1.7171
142 F A -0.4680
143 L A -0.1406
144 C A -0.8349
145 S A -1.0317
146 C A -1.4230
147 P A -0.8788
148 P A -0.6149
149 G A -0.9229
150 Y A 0.0000
151 Q A -2.4528
152 G A -2.4923
153 R A -2.4467
154 S A -1.9654
155 C A 0.0000
156 R A -2.9678
157 S A -2.3153
158 D A -1.9499
159 V A -1.1247
160 D A -0.9561
161 E A -1.3736
162 C A -1.4017
163 R A -1.7501
164 V A 0.1335
165 G A -1.0696
166 E A -2.3297
167 P A -1.6590
168 C A 0.0000
169 R A -2.8619
170 H A -2.1693
171 G A -1.6711
172 G A -1.7386
173 T A -1.2303
174 C A -1.3641
175 L A -0.3837
176 N A -1.1854
177 T A -0.7915
178 P A -1.1822
179 G A -1.1386
180 S A -0.8197
181 F A -0.9251
182 R A -1.8846
183 C A -1.5831
184 Q A -1.4995
185 C A -1.3359
186 P A -0.6424
187 A A 0.1403
188 G A 0.0664
189 Y A -0.4762
190 T A -0.7551
191 G A -1.1909
192 P A -1.1379
193 L A -1.4691
194 C A 0.0000
195 E A -2.1480
196 N A -1.6483
197 P A -0.4575
198 A A 0.2602
199 V A 0.9525
200 P A -0.1183
201 C A -0.2734
202 A A 0.2190
203 P A -0.0100
204 S A -0.7018
205 P A -1.0340
206 C A 0.0000
207 R A -2.8293
208 N A -1.8948
209 G A -1.3156
210 G A -1.5294
211 T A -1.2060
212 C A -1.8396
213 R A -2.9147
214 Q A -2.3923
215 S A -1.7553
216 G A -1.2779
217 D A -1.2164
218 L A 0.5211
219 T A -0.5648
220 Y A -1.5429
221 D A -2.7772
222 C A 0.0000
223 A A -0.9311
224 C A -0.8103
225 L A 0.1469
226 P A -0.0025
227 G A -0.3621
228 F A -1.0068
229 E A -2.0337
230 G A -1.8111
231 Q A -2.3123
232 N A -2.2687
233 C A 0.0000
234 E A -1.9531
235 V A -0.6884
236 N A -0.6756
237 V A -0.8865
238 D A -1.6963
239 D A -1.6476
240 C A -1.5986
241 P A -1.3345
242 G A -1.3126
243 H A -1.6265
244 R A -2.1020
245 C A 0.0000
246 L A 0.0613
247 N A -0.8325
248 G A -0.5934
249 G A -0.8268
250 T A -0.6910
251 C A -0.7355
252 V A -0.5551
253 D A -1.1052
254 G A -0.3372
255 V A 0.6914
256 N A -0.6670
257 T A -0.7032
258 Y A -1.3255
259 N A -1.8576
260 C A -1.3754
261 Q A -1.4226
262 C A -1.0701
263 P A -0.6156
264 P A -0.7000
265 E A -1.2546
266 W A -1.1913
267 T A -1.5099
268 G A -1.3977
269 Q A -1.8638
270 F A -1.3236
271 C A 0.0000
272 T A -1.0476
273 E A -2.1062
274 D A -1.5029
275 V A -1.2638
276 D A -1.7048
277 E A -1.2224
278 C A -0.9780
279 Q A -1.2786
280 L A -0.1235
281 Q A -1.3848
282 P A -1.4028
283 N A -2.1025
284 A A -1.4396
285 C A 0.0000
286 H A -1.9133
287 N A -1.4877
288 G A -0.8433
289 G A -0.0870
290 T A 0.6530
291 C A 0.2947
292 F A 1.3445
293 N A -0.1745
294 T A 0.2904
295 L A 0.6080
296 G A -0.5073
297 G A -0.3284
298 H A -0.4733
299 S A 0.1118
300 C A 0.5815
301 V A 1.8299
302 C A 0.5377
303 V A 1.0347
304 N A 0.6242
305 G A 0.0000
306 W A -0.2136
307 T A -0.7213
308 G A -1.2886
309 E A -2.0427
310 S A -1.5483
311 C A 0.0000
312 S A -1.6269
313 Q A -1.9427
314 N A -1.2088
315 I A -0.5950
316 D A -1.9404
317 D A -1.0829
318 C A -0.6427
319 A A -0.3809
320 T A 0.1099
321 A A 0.5272
322 V A 1.2325
323 C A 0.8795
324 F A 0.4327
325 H A -1.0092
326 G A -0.6545
327 A A -0.0008
328 T A 0.0515
329 C A -0.0318
330 H A -0.9516
331 D A -1.3968
332 R A -1.5718
333 V A 0.0706
334 A A -0.1241
335 S A -0.4877
336 F A -0.2483
337 Y A 0.2506
338 C A 0.0000
339 A A 0.3789
340 C A 0.3372
341 P A 0.1336
342 M A 0.8331
343 G A 0.0025
344 K A -0.9847
345 T A -0.8912
346 G A -0.1553
347 L A 0.8745
348 L A 0.8984
349 C A 0.0000
350 H A -0.5629
351 L A -1.2449
352 D A -2.1858
353 D A -1.3831
354 A A -1.1464
355 C A -0.2916
356 V A 0.7987
357 S A -0.0212
358 N A -0.9311
359 P A -0.9501
360 C A -1.2203
361 H A -2.1018
362 E A -2.8328
363 D A -2.1930
364 A A -0.8119
365 I A 1.0244
366 C A -0.0768
367 D A -1.0135
368 T A 0.0000
369 N A -0.9173
370 P A -0.3744
371 V A 0.7493
372 N A -1.0859
373 G A -1.8089
374 R A -2.2981
375 A A -0.9552
376 I A 0.3290
377 C A -0.0466
378 T A 0.4422
379 C A -0.2595
380 P A -0.3412
381 P A -0.4488
382 G A -0.7726
383 F A -1.4645
384 T A -1.2214
385 G A -1.3879
386 G A -0.8773
387 A A -1.2061
388 C A 0.0000
389 D A -2.8926
390 Q A -2.5791
391 D A -1.9873
392 V A -0.9916
393 D A -1.0419
394 E A -0.2491
395 C A -0.1560
396 S A 0.1010
397 I A 1.2105
398 G A 0.1884
399 A A -0.5019
400 N A -1.5542
401 P A -1.1717
402 C A 0.0000
403 E A -2.5893
404 H A -1.5181
405 L A -0.0977
406 G A 0.0000
407 R A -2.1032
408 C A 0.0000
409 V A 0.1195
410 N A -0.4354
411 T A -0.4413
412 Q A -1.7002
413 G A -1.4710
414 S A -0.2737
415 F A 0.1822
416 L A 0.7539
417 C A -0.9567
418 Q A -1.5267
419 C A -1.6273
420 G A -1.3032
421 R A -1.8923
422 G A 0.0000
423 Y A -1.0793
424 T A -1.3956
425 G A -1.1880
426 P A -1.1153
427 R A -2.4626
428 C A 0.0000
429 E A -2.2331
430 T A -1.4935
431 D A -1.4956
432 V A -0.6079
433 N A -0.7065
434 E A -0.6592
435 C A -0.2340
436 L A 0.9894
437 S A 0.1752
438 G A -0.5317
439 P A -0.3561
440 C A -0.8499
441 R A -2.3490
442 N A -1.9282
443 Q A -1.8328
444 A A -0.4981
445 T A 0.0269
446 S A -0.0683
447 L A -0.4020
448 D A -1.7829
449 R A -1.9366
450 I A -0.1310
451 G A 0.0000
452 Q A -1.6512
453 F A -0.8203
454 T A -0.1021
455 C A 0.6595
456 I A 1.9279
457 C A 0.6526
458 M A 0.2989
459 A A 0.3454
460 G A 0.0000
461 F A -0.2230
462 T A 0.0028
463 G A 0.0265
464 T A 0.3252
465 Y A 0.3094
466 C A 0.0000
467 E A -1.0407
468 V A -0.2842
469 D A -1.8098
470 I A -1.4604
471 D A -3.1051
472 E A -2.9643
473 C A -2.1716
474 Q A -2.2244
475 S A -1.3335
476 S A -0.5182
477 P A -0.1696
478 C A 0.2777
479 V A 0.5357
480 N A -0.7229
481 G A -0.2431
482 G A 0.3673
483 V A 1.2255
484 C A -0.5596
485 K A -2.2905
486 D A -3.6116
487 R A -2.8892
488 V A -0.6146
489 N A -1.4774
490 G A -1.4829
491 F A -1.6169
492 S A -0.8072
493 C A 0.1836
494 T A 0.3635
495 C A 0.3608
496 P A -0.3314
497 S A -0.9525
498 G A -1.8975
499 F A -1.0256
500 S A -0.6122
501 G A -0.5280
502 S A -0.2397
503 T A 0.0470
504 C A 0.0000
505 Q A -0.9882
506 L A -0.3518
507 D A -2.4978
508 V A -1.8845
509 D A -2.8536
510 E A -2.8001
511 C A -1.7384
512 A A -0.9950
513 S A -0.7164
514 T A -0.9027
515 P A -0.8287
516 C A 0.0000
517 R A -2.9922
518 N A -3.0519
519 G A -2.3534
520 A A -2.9496
521 K A -3.0228
522 C A -2.3594
523 V A -2.0781
524 D A -3.2608
525 Q A -2.8951
526 P A -2.5264
527 D A -2.9000
528 G A -2.2350
529 Y A -2.2044
530 E A -2.6590
531 C A -2.4854
532 R A -3.0271
533 C A -3.0154
534 A A -2.0853
535 E A -1.8863
536 G A -1.3137
537 F A -2.7330
538 E A -3.5103
539 G A -2.1514
540 T A -1.4823
541 L A -1.8049
542 C A 0.0000
543 D A -3.6052
544 R A -3.9329
545 N A -2.8726
546 V A -1.9061
547 D A -2.4543
548 D A -1.5475
549 C A -1.6921
550 S A -1.6675
551 P A -1.5672
552 D A -2.5845
553 P A -1.7914
554 C A -1.8656
555 H A -2.2439
556 H A -2.0190
557 G A -1.8300
558 R A -2.1554
559 C A -1.0934
560 V A 0.0952
561 D A -1.0556
562 G A 0.1847
563 I A 0.9850
564 A A -0.1633
565 S A 0.0413
566 F A -0.0690
567 S A -0.2071
568 C A -0.8344
569 A A -0.4851
570 C A -0.9339
571 A A -0.6736
572 P A -0.4581
573 G A -0.8667
574 Y A -1.0484
575 T A -1.0625
576 G A -1.1225
577 T A -0.9455
578 R A -2.1993
579 C A 0.0000
580 E A -2.4919
581 S A -1.7794
582 Q A -1.5664
583 V A -1.3853
584 D A -2.6616
585 E A -2.3958
586 C A 0.0000
587 R A -3.0256
588 S A -2.0111
589 Q A -2.7646
590 P A -1.5046
591 C A 0.0000
592 R A -2.6966
593 H A -1.8503
594 G A -2.0780
595 G A -2.2890
596 K A -2.8747
597 C A 0.0000
598 L A -1.0429
599 D A -1.9402
600 L A -0.3988
601 V A -0.0323
602 D A -2.1045
603 K A -1.9016
604 Y A -0.5102
605 L A 0.3986
606 C A 0.0000
607 R A -1.9173
608 C A -1.3448
609 P A -1.3875
610 S A -0.8165
611 G A -1.0055
612 T A 0.0000
613 T A -0.0148
614 G A 0.2422
615 V A 1.3952
616 N A -0.4943
617 C A 0.0000
618 E A -0.6606
619 V A 0.4672
620 N A -0.9304
621 I A -0.5933
622 D A -2.3923
623 D A -2.8371
624 C A -2.0364
625 A A -1.0792
626 S A -1.1860
627 N A -1.3616
628 P A -0.5773
629 C A -0.0219
630 T A 0.2459
631 F A 0.8699
632 G A 0.5078
633 V A 0.7527
634 C A 0.0000
635 R A -2.5385
636 D A -2.7458
637 G A -2.1477
638 I A -1.1586
639 N A -2.3443
640 R A -3.0702
641 Y A -2.4550
642 D A -1.7211
643 C A -0.0968
644 V A 1.1697
645 C A 0.5189
646 Q A -1.0819
647 P A -1.3919
648 G A -1.9362
649 F A -0.8285
650 T A 0.0109
651 G A 0.2318
652 P A 0.0427
653 L A 0.5904
654 C A 0.0000
655 N A -0.5080
656 V A 0.0748
657 E A -1.8247
658 I A -1.1638
659 N A -1.9715
660 E A -1.7732
661 C A -0.9447
662 A A -0.6248
663 S A -0.5186
664 S A -0.5169
665 P A -0.3359
666 C A -0.1762
667 G A -0.5658
668 E A -1.9597
669 G A -1.2051
670 G A -0.4895
671 S A -0.4350
672 C A -0.2273
673 V A -0.7272
674 D A -2.5831
675 G A -2.6700
676 E A -3.3268
677 N A -2.9371
678 G A -1.9263
679 F A -1.4028
680 R A -1.3752
681 C A -0.0850
682 L A 0.9318
683 C A 0.3383
684 P A -0.2321
685 P A -0.2579
686 G A -0.3945
687 S A -0.0164
688 L A 0.7636
689 P A 0.3099
690 P A 0.1720
691 L A 0.5849
692 C A 0.0000
693 L A 0.2286
694 P A -0.3001
695 P A -0.3311
696 S A -0.4720
697 H A -0.6345
698 P A -1.0306
699 C A -0.9223
700 A A -1.0781
701 H A -1.8791
702 E A -1.8145
703 P A 0.0000
704 C A -0.6877
705 S A -0.9569
706 H A -0.5777
707 G A 0.1208
708 I A 1.6121
709 C A 0.3382
710 Y A 0.4197
711 D A -1.5259
712 A A -1.1013
713 P A -0.9976
714 G A -1.0199
715 G A -0.8202
716 F A -0.7834
717 R A -1.2792
718 C A -0.2638
719 V A 1.1990
720 C A -0.1027
721 E A -0.8773
722 P A -0.8158
723 G A -0.6286
724 W A -0.6756
725 S A -0.8321
726 G A -0.9579
727 P A -1.1928
728 R A -1.9237
729 C A 0.0000
730 S A -1.3571
731 Q A -1.3568
732 S A -0.1680
733 L A 0.8611
734 A A -0.4380
735 R A -2.5306
736 D A -3.0202
737 A A -1.8223
738 C A -1.6165
739 E A -2.7442
740 S A -1.7807
741 Q A -1.9518
742 P A -1.5674
743 C A -1.8154
744 R A -2.4637
745 A A -0.9526
746 G A -1.0556
747 G A -1.3992
748 T A -0.6939
749 C A -0.8230
750 S A -0.8900
751 S A -0.9081
752 D A -1.7642
753 G A -0.9942
754 M A 0.2440
755 G A -0.1032
756 F A -0.4405
757 H A -1.3067
758 C A -1.2571
759 T A -0.6264
760 C A -0.6760
761 P A -0.1193
762 P A -0.1283
763 G A 0.3130
764 V A 0.4041
765 Q A -0.3368
766 G A -1.2226
767 R A -2.4934
768 Q A -2.1130
769 C A 0.0000
770 E A -0.8275
771 L A 0.6343
772 L A 1.6916
773 S A 0.4137
774 P A 0.1565
775 C A -0.4939
776 T A -0.3497
777 P A -0.7268
778 N A -2.3200
779 P A -1.4025
780 C A 0.0000
781 E A -3.4084
782 H A -2.5643
783 G A -1.9989
784 G A 0.0000
785 R A -2.6930
786 C A -1.8410
787 E A -1.7538
788 S A -0.7071
789 A A -0.5585
790 P A -0.7314
791 G A -0.8282
792 Q A -0.7238
793 L A 0.9967
794 P A 0.0000
795 V A 0.9743
796 C A -0.8407
797 S A -0.9658
798 C A -1.4187
799 P A -1.6411
800 Q A -1.6562
801 G A -1.2463
802 W A -1.9253
803 Q A -2.0803
804 G A -1.3803
805 P A -0.6740
806 R A -1.9309
807 C A 0.0000
808 Q A -2.6029
809 Q A -2.5177
810 D A -1.7088
811 V A -1.3515
812 D A -1.6222
813 E A -1.3646
814 C A -0.3407
815 A A -0.6638
816 G A -0.7605
817 P A -0.4733
818 A A -0.0752
819 P A -0.1939
820 C A 0.0000
821 G A -0.5184
822 P A -0.5879
823 H A -1.1631
824 G A 0.0199
825 I A 1.6285
826 C A 0.8523
827 T A 0.3119
828 N A -0.2296
829 L A 0.2674
830 A A -0.2193
831 G A -0.9494
832 S A -0.6127
833 F A -0.2085
834 S A 0.1537
835 C A 0.5177
836 T A 0.4109
837 C A -0.4181
838 H A -0.9838
839 G A -0.8771
840 G A -0.8988
841 Y A -1.2708
842 T A -1.2094
843 G A -0.8569
844 P A -0.8934
845 S A -0.8604
846 C A 0.0000
847 D A -2.5348
848 Q A -2.2231
849 D A -2.4284
850 I A -1.1871
851 N A -2.5506
852 D A -2.2718
853 C A -2.3121
854 D A -2.6678
855 P A -1.8600
856 N A -1.7843
857 P A -0.9160
858 C A 0.0000
859 L A -0.3201
860 N A -0.2747
861 G A -0.1230
862 G A 0.0000
863 S A -0.6624
864 C A -1.4772
865 Q A -2.2735
866 D A -2.8214
867 G A -0.9747
868 V A 0.4021
869 G A -0.6036
870 S A -0.5057
871 F A -0.9761
872 S A -1.0563
873 C A -0.7895
874 S A -0.3784
875 C A 0.0380
876 L A 0.8715
877 P A 0.2799
878 G A -0.3364
879 F A -0.4507
880 A A -0.8624
881 G A -1.2349
882 P A -1.1423
883 R A -1.6907
884 C A 0.0000
885 A A -1.3348
886 R A -2.2659
887 D A -1.7872
888 V A -0.6187
889 D A -0.9820
890 E A -0.6315
891 C A -0.3753
892 L A 0.6246
893 S A -0.3154
894 N A -1.1779
895 P A -0.9218
896 C A 0.0000
897 G A -1.4755
898 P A -1.0021
899 G A -0.7906
900 T A -0.5854
901 C A -0.6124
902 T A -0.9201
903 D A -1.3459
904 H A -0.7384
905 V A -0.4175
906 A A -0.1422
907 S A -0.3301
908 F A -0.5702
909 T A -0.0932
910 C A 0.0000
911 T A 0.1670
912 C A -0.2834
913 P A -0.1879
914 P A -0.4508
915 G A 0.0000
916 Y A -1.1015
917 G A -0.9419
918 G A -0.8719
919 F A -0.1045
920 H A -1.4053
921 C A 0.0000
922 E A -2.8250
923 Q A -2.4772
924 D A -2.4706
925 L A -0.9430
926 P A -0.7061
927 D A -0.6433
928 C A -0.1935
929 S A 0.0000
930 P A -0.1563
931 S A 0.1551
932 S A 0.0000
933 C A 0.2957
934 F A -0.4660
935 N A -1.5196
936 G A -0.8184
937 G A -0.2313
938 T A 0.2253
939 C A 0.7555
940 V A 0.8020
941 D A -0.7743
942 G A -0.4536
943 V A -0.1443
944 N A -1.1097
945 S A -0.4090
946 F A 0.2617
947 S A 0.4959
948 C A 0.8230
949 L A 1.4637
950 C A -0.3703
951 R A -1.8719
952 P A -1.1949
953 G A -1.5654
954 Y A -1.3030
955 T A -0.8943
956 G A -0.2801
957 A A 0.1393
958 H A 0.1151
959 C A 0.0000
960 Q A -0.9302
961 H A -1.3569
962 E A -2.5334
963 A A -1.1300
964 D A -1.0465
965 P A -0.8115
966 C A -0.0371
967 L A 0.7070
968 S A -0.4434
969 R A -1.0953
970 P A -0.6539
971 C A -0.5121
972 L A 0.0358
973 H A -0.2093
974 G A -0.1037
975 G A 0.2429
976 V A 1.2216
977 C A 0.3043
978 S A -0.6842
979 A A -0.4179
980 A A -0.9415
981 H A -1.3004
982 P A -1.0115
983 G A -0.8444
984 F A -0.5577
985 R A -1.4748
986 C A -0.3394
987 T A 0.0846
988 C A 0.3245
989 L A 0.7768
990 E A -0.7676
991 S A -0.5741
992 F A -0.0776
993 T A -0.2887
994 G A -0.3521
995 P A -0.8861
996 Q A -1.0007
997 C A 0.0000
998 Q A -0.7921
999 T A -0.2594
1000 L A 0.1790
1001 V A -0.3055
1002 D A -1.6582
1003 W A -1.3349
1004 C A -1.5907
1005 S A -1.8940
1006 R A -2.7057
1007 Q A -2.6387
1008 P A -1.7441
1009 C A -1.8159
1010 Q A -2.4200
1011 N A -2.1321
1012 G A -1.5116
1013 G A -1.5830
1014 R A -1.7610
1015 C A -1.1403
1016 V A -0.0215
1017 Q A -0.7299
1018 T A -0.4771
1019 G A -0.3732
1020 A A -0.4002
1021 Y A 0.0239
1022 C A 0.0000
1023 L A 0.4171
1024 C A -0.6304
1025 P A -0.4173
1026 P A -0.4316
1027 G A -0.9149
1028 W A -1.1940
1029 S A -0.9904
1030 G A -1.1058
1031 R A -1.4826
1032 L A -1.2725
1033 C A 0.0000
1034 D A -1.8456
1035 I A 0.0000
1036 R A -2.0407
1037 S A -1.7582
1038 L A -1.9900
1039 P A -2.4054
1040 C A 0.0000
1041 R A -3.3320
1042 E A -2.6847
1043 A A 0.0000
1044 A A 0.0000
1045 A A -1.3708
1046 Q A -0.9727
1047 I A 0.9421
1048 G A -0.2581
1049 V A -0.8548
1050 R A -2.4820
1051 L A -2.4029
1052 E A -3.4032
1053 Q A -3.0082
1054 L A 0.0000
1055 C A 0.0000
1056 Q A -2.4009
1057 A A -1.7969
1058 G A -1.4306
1059 G A 0.0000
1060 Q A -1.3692
1061 C A 0.0000
1062 V A -0.8697
1063 D A -3.0082
1064 E A -3.2873
1065 D A -3.1352
1066 S A -2.1163
1067 S A -2.0679
1068 H A 0.0000
1069 Y A -0.0259
1070 C A 0.3606
1071 V A 0.9298
1072 C A -0.7061
1073 P A -1.1680
1074 E A -1.9496
1075 G A 0.0000
1076 R A -2.3137
1077 T A -1.6351
1078 G A -1.3880
1079 S A -0.8671
1080 H A -1.0953
1081 C A 0.0000
1082 E A -2.4660
1083 Q A -2.7310
1084 E A -3.0659
1085 V A -1.7907
1086 D A -1.8237
1087 P A -0.9098
1088 C A -0.3305
1089 L A 0.5742
1090 A A -0.0363
1091 Q A -0.6732
1092 P A -0.9369
1093 C A -1.9857
1094 Q A -2.1807
1095 H A -1.8319
1096 G A -1.1138
1097 G A -1.6077
1098 T A -1.3074
1099 C A -1.1353
1100 R A -1.9129
1101 G A -0.3792
1102 Y A 0.8065
1103 M A 0.5821
1104 G A -0.6570
1105 G A -0.1630
1106 Y A -0.4449
1107 M A -0.5305
1108 C A -1.8066
1109 E A -2.2364
1110 C A -1.6691
1111 L A 0.0792
1112 P A -0.2682
1113 G A -0.9033
1114 Y A -2.3174
1115 N A -3.3496
1116 G A -3.3667
1117 D A -3.0706
1118 N A -2.8737
1119 C A 0.0000
1120 E A -4.1012
1121 D A -4.4796
1122 D A -3.4388
1123 V A -2.0807
1124 D A -2.6689
1125 E A -1.8563
1126 C A -1.6204
1127 A A -1.1567
1128 S A -1.0660
1129 Q A -1.6370
1130 P A -0.6568
1131 C A 0.0000
1132 Q A -1.3036
1133 H A -0.7155
1134 G A -1.0282
1135 G A 0.0000
1136 S A -0.7089
1137 C A -0.6385
1138 I A 0.0000
1139 D A -2.1194
1140 L A -0.8240
1141 V A 0.3302
1142 A A -0.5313
1143 R A -1.6169
1144 Y A -0.8353
1145 L A 0.1135
1146 C A 0.0000
1147 S A 0.0000
1148 C A 0.0000
1149 P A -0.3860
1150 P A -0.2581
1151 G A -0.6141
1152 T A 0.0000
1153 L A 0.6054
1154 G A 1.0576
1155 V A 1.9830
1156 L A 0.7873
1157 C A 0.0000
1158 E A -0.2212
1159 I A 0.7964
1160 N A -0.7377
1161 E A -1.8414
1162 D A -2.4107
1163 D A -1.6501
1164 C A -1.0766
1165 G A -1.3685
1166 P A -1.2905
1167 G A -1.1894
1168 P A -0.5831
1169 P A -0.6664
1170 L A 0.3486
1171 D A -1.5578
1172 S A -1.2651
1173 G A -1.1296
1174 P A -1.1941
1175 R A -0.8459
1176 C A 0.0000
1177 L A -0.5122
1178 H A -1.3058
1179 N A -1.5799
1180 G A -0.9125
1181 T A -0.6995
1182 C A -0.1449
1183 V A 0.0000
1184 D A -0.8464
1185 L A 0.1881
1186 V A 0.6503
1187 G A -0.4852
1188 G A -0.3598
1189 F A 0.0299
1190 R A 0.0545
1191 C A 0.1297
1192 T A -0.2674
1193 C A -0.1039
1194 P A -0.4984
1195 P A -0.2803
1196 G A 0.0000
1197 Y A -0.2505
1198 T A 0.3300
1199 G A 0.6985
1200 L A 1.3945
1201 R A 0.2835
1202 C A 0.0000
1203 E A 0.1297
1204 A A 0.0000
1205 D A -0.5641
1206 I A -0.0944
1207 N A -1.0494
1208 E A -1.4281
1209 C A -1.5157
1210 R A -2.1761
1211 S A -1.3833
1212 G A -1.4211
1213 A A 0.0000
1214 C A -1.6487
1215 H A -1.4349
1216 A A -0.6977
1217 A A -0.5279
1218 H A -0.6225
1219 T A -0.8866
1220 R A -0.4961
1221 D A 0.0000
1222 C A -1.0171
1223 L A -0.9279
1224 Q A -1.6861
1225 D A -2.4502
1226 P A -1.2224
1227 G A -1.1339
1228 G A -0.8903
1229 G A -1.1833
1230 F A -1.5434
1231 R A -2.2397
1232 C A 0.0000
1233 L A -0.2865
1234 C A -0.4385
1235 H A -0.0865
1236 A A 0.3427
1237 G A 0.0000
1238 F A 0.5387
1239 S A -0.0856
1240 G A -0.9095
1241 P A -1.6176
1242 R A -2.3760
1243 C A 0.0000
1244 Q A -1.4232
1245 T A -0.0004
1246 V A 1.7675
1247 L A 0.9414
1248 S A -0.1819
1249 P A 0.0000
1250 C A -1.6932
1251 E A -2.2137
1252 S A -1.6039
1253 Q A -2.5370
1254 P A -1.6834
1255 C A -2.0970
1256 Q A -2.0937
1257 H A -1.3464
1258 G A -1.4856
1259 G A -2.0660
1260 Q A -2.4603
1261 C A 0.0000
1262 R A -2.3248
1263 P A -0.9647
1264 S A -0.4992
1265 P A -0.3501
1266 G A -0.4178
1267 P A -0.6642
1268 G A -0.9304
1269 G A -0.8101
1270 G A 0.0000
1271 L A 0.4309
1272 T A -0.1015
1273 F A -0.6561
1274 T A -1.1193
1275 C A -1.8668
1276 H A -1.8460
1277 C A -1.2129
1278 A A -0.5925
1279 Q A -0.4753
1280 P A 0.0000
1281 F A 0.0000
1282 W A -0.9183
1283 G A -1.0006
1284 P A -1.1198
1285 R A -2.1291
1286 C A 0.0000
1287 E A -1.5095
1288 R A -1.4169
1289 V A -0.7058
1290 A A 0.0000
1291 R A -2.3713
1292 S A -1.8262
1293 C A -1.8366
1294 R A -2.0979
1295 E A 0.0000
1296 L A 0.0000
1297 Q A -1.2072
1298 C A -0.4378
1299 P A 0.2837
1300 V A 1.3925
1301 G A 0.4601
1302 V A 0.1910
1303 P A -0.4258
1304 C A -1.1995
1305 Q A -1.7517
1306 Q A -2.6482
1307 T A -1.6043
1308 P A -1.3021
1309 R A -1.8958
1310 G A -1.7777
1311 P A 0.0000
1312 R A -1.7480
1313 C A 0.0000
1314 A A -0.5546
1315 C A -0.4691
1316 P A -0.2214
1317 P A -0.1911
1318 G A -0.2005
1319 L A 0.0650
1320 S A -0.2859
1321 G A -0.6472
1322 P A -0.7312
1323 S A -0.9693
1324 C A 0.0000
1325 R A -1.5211
1326 S A -0.2657
1327 F A 1.1143
1328 P A 0.0221
1329 G A -0.1593
1330 S A -0.1879
1331 P A -0.7389
1332 P A -0.8558
1333 G A -0.9201
1334 A A -0.7934
1335 S A -0.9102
1336 N A -1.3836
1337 A A -0.5368
1338 S A -0.7672
1339 C A -0.7496
1340 A A -0.0923
1341 A A -0.0434
1342 A A 0.1360
1343 P A 0.0000
1344 C A -0.6228
1345 L A -0.2226
1346 H A -1.0000
1347 G A -0.6712
1348 G A -0.8678
1349 S A -0.8099
1350 C A -1.2596
1351 R A -2.4425
1352 P A -1.4242
1353 A A 0.0000
1354 P A -0.5214
1355 L A 0.1770
1356 A A -0.2587
1357 P A -0.4691
1358 F A 0.0000
1359 F A 0.0000
1360 R A -1.8766
1361 C A -1.0754
1362 A A -0.7033
1363 C A -0.5717
1364 A A -0.6496
1365 Q A -1.2873
1366 G A -0.6993
1367 W A -0.6154
1368 T A -0.5707
1369 G A -0.5891
1370 P A -0.8356
1371 R A -0.9123
1372 C A 0.0000
1373 E A -1.3767
1374 A A -0.7638
1375 P A -0.6685
1376 A A -0.4088
1377 A A -0.2347
1378 A A -0.3346
1379 P A -0.7074
1380 E A -1.6693
1381 V A -0.2890
1382 S A -1.9430
1383 E A -3.2202
1384 E A -3.5020
1385 P A -2.5419
1386 R A -3.4870
1387 C A -2.7196
1388 P A -2.0406
1389 R A -2.5972
1390 A A -1.3239
1391 A A -1.4581
1392 C A 0.0000
1393 Q A -2.4874
1394 A A -1.8402
1395 K A -2.7998
1396 R A -3.3365
1397 G A -2.7225
1398 D A -3.3322
1399 Q A -2.9071
1400 R A -3.2651
1401 C A -2.2861
1402 D A -2.8393
1403 R A -3.2348
1404 E A -2.8332
1405 C A 0.0000
1406 N A -1.5641
1407 S A -1.5167
1408 P A -1.2611
1409 G A -2.0836
1410 C A -1.9235
1411 G A -0.8106
1412 W A 0.0000
1413 D A 0.0000
1414 G A -1.9044
1415 G A 0.0000
1416 D A -1.9900
1417 C A 0.0000
1418 S A 0.0000
1419 L A 0.0000
1420 S A -0.9141
1421 V A -0.8830
1422 G A -0.8075
1423 D A -1.4266
1424 P A 0.0000
1425 W A 0.0000
1426 R A -1.9927
1427 Q A -1.5129
1428 C A -1.1885
1429 E A -1.7685
1430 A A -0.4659
1431 L A 0.3046
1432 Q A -0.5288
1433 C A 0.0000
1434 W A -0.7869
1435 R A -1.9118
1436 L A -1.5731
1437 F A 0.0000
1438 N A -2.5761
1439 N A -1.9927
1440 S A -1.7433
1441 R A -2.2729
1442 C A -0.8392
1443 D A -0.8008
1444 P A -0.5155
1445 A A -0.3754
1446 C A 0.0000
1447 S A -0.2701
1448 S A -0.6473
1449 P A -0.6063
1450 A A -0.8167
1451 C A 0.0000
1452 L A 0.0000
1453 Y A 0.0000
1454 D A 0.0000
1455 N A -1.0368
1456 F A 0.0000
1457 D A -1.4730
1458 C A -0.5567
1459 H A -0.8063
1460 A A -0.9632
1461 G A -1.6517
1462 G A 0.0000
1463 R A -2.8773
1464 E A -3.4829
1465 R A -3.3800
1466 T A -2.1728
1467 C A 0.0000
1468 N A -1.4272
1469 P A -0.1905
1470 V A 1.2574
1471 Y A 0.3936
1472 E A -1.1107
1473 K A -1.8790
1474 Y A -0.6888
1475 C A 0.0000
1476 A A 0.0000
1477 D A -2.5778
1478 H A -2.3999
1479 F A 0.0000
1480 A A -1.7866
1481 D A -2.9490
1482 G A -2.2555
1483 R A -2.7495
1484 C A -1.6277
1485 D A -1.6930
1486 Q A -1.8354
1487 G A -1.1383
1488 C A 0.0000
1489 N A -0.8482
1490 T A -0.6462
1491 E A 0.0000
1492 E A 0.0000
1493 C A 0.0000
1494 G A 0.0000
1495 W A -0.2453
1496 D A 0.0000
1497 G A 0.0000
1498 L A 0.0000
1499 D A -1.6121
1500 C A -0.9027
1501 A A 0.0000
1502 S A -1.2183
1503 E A -1.8233
1504 V A -0.4704
1505 P A -0.1840
1506 A A 0.4468
1507 L A 1.3250
1508 L A 0.4060
1509 A A 0.0000
1510 R A -1.9169
1511 G A -1.5918
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 0.7518
1519 L A 0.1334
1520 P A -0.3338
1521 P A -0.8764
1522 E A -2.8722
1523 E A -2.9100
1524 L A 0.0000
1525 L A -1.4997
1526 R A -2.6834
1527 S A -1.7487
1528 S A -1.2362
1529 A A -1.3647
1530 D A -1.4493
1531 F A 0.0000
1532 L A 0.0000
1533 Q A 0.0000
1534 R A -0.8956
1535 L A 0.0000
1536 S A 0.0000
1537 A A -0.3059
1538 I A -0.0349
1539 L A 0.0000
1540 R A -0.1138
1541 T A 0.0000
1542 S A 0.0000
1543 L A 0.0000
1544 R A -0.8333
1545 F A -0.2718
1546 R A -0.2435
1547 L A 0.2365
1548 D A -0.7119
1549 A A -0.7616
1550 H A -1.4624
1551 G A -1.1994
1552 Q A -1.3529
1553 A A -0.1537
1554 M A 0.4949
1555 V A 0.7031
1556 F A 1.4111
1557 P A 0.3979
1558 Y A 0.2420
1559 H A -0.9435
1560 R A -2.1308
1561 P A -1.5685
1562 S A -1.3046
1563 P A -1.1611
1564 G A -1.2475
1565 S A -1.8083
1566 E A -2.7431
1567 P A -2.4231
1568 R A -3.5440
1569 A A -2.8548
1570 R A -3.6382
1571 R A -3.4072
1572 E A -2.7189
1573 L A -0.3461
1574 A A -0.1675
1575 P A -0.7214
1576 E A -0.5875
1577 V A 0.5809
1578 I A 0.2268
1579 G A 0.0000
1580 S A 0.0000
1581 V A 0.8049
1582 V A 0.0000
1583 M A 0.0966
1584 L A 0.0000
1585 E A -0.7950
1586 I A 0.0000
1587 D A 0.0000
1588 N A 0.0000
1589 R A 0.4749
1590 L A 0.1495
1591 C A 0.0000
1592 L A -0.1343
1593 Q A -1.2474
1594 S A -1.3013
1595 P A -1.6302
1596 E A -2.4825
1597 N A 0.0000
1598 D A -2.3661
1599 H A -1.2360
1600 C A 0.0000
1601 F A 0.0000
1602 P A -0.8329
1603 D A -1.5738
1604 A A 0.0000
1605 Q A -1.4774
1606 S A -0.8821
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 -1.0895
1616 A A 0.0000
1617 V A -1.5411
1618 E A -2.8106
1619 R A -3.0600
1620 L A -1.7780
1621 D A -2.3621
1622 F A -0.9508
1623 P A -0.6008
1624 Y A -0.1975
1625 P A 0.0078
1626 L A 0.0419
1627 R A -0.7130
1628 D A -0.8253
1629 V A 0.0000
1630 R A -1.9104
1631 G A -1.6062
1632 E A -1.6835
1633 P A -1.4234
1634 L A -0.6771
1635 E A -2.0332
1636 P A -1.5749
1637 P A -1.7370
1638 E A -2.3035
1639 P A -0.7998
1640 S A -0.0201
1641 V A 1.7838
1642 P A 1.7896
1643 L A 2.9875
1644 L A 3.3661
1645 P A 2.4410
1646 L A 3.3571
1647 L A 4.2166
1648 V A 4.0802
1649 A A 3.0100
1650 G A 3.1385
1651 A A 3.7554
1652 V A 4.7337
1653 L A 4.8638
1654 L A 5.2555
1655 L A 5.5430
1656 V A 5.6990
1657 I A 5.6448
1658 L A 6.0119
1659 V A 5.7110
1660 L A 5.3076
1661 G A 4.1761
1662 V A 4.0585
1663 M A 3.2099
1664 V A 2.5495
1665 A A 0.1812
1666 R A -2.3781
1667 R A -3.8624
1668 K A -4.6961
1669 R A -4.6923
1670 E A -4.0834
1671 H A -2.5487
1672 S A -0.9771
1673 T A 0.6709
1674 L A 2.4441
1675 W A 2.5641
1676 F A 2.6316
1677 P A 0.7237
1678 E A -0.9384
1679 G A -0.0485
1680 F A 1.6320
1681 S A 0.4895
1682 L A 0.7229
1683 H A -1.1660
1684 K A -2.1243
1685 D A -1.8656
1686 V A 0.1413
1687 A A -0.2527
1688 S A -0.5992
1689 G A -1.2836
1690 H A -2.4460
1691 K A -3.2833
1692 G A -3.1278
1693 R A -4.0141
1694 R A -3.8654
1695 E A -2.9727
1696 P A -1.1648
1697 V A 0.2968
1698 G A -0.8135
1699 Q A -1.7934
1700 D A -1.9134
1701 A A -0.4160
1702 L A 0.7613
1703 G A 0.3020
1704 M A 0.1800
1705 K A -1.4875
1706 N A -1.3533
1707 M A -0.2487
1708 A A -0.8095
1709 K A -2.1207
1710 G A -2.4499
1711 E A -2.2792
1712 S A -0.2595
1713 L A 1.4895
1714 M A 1.0862
1715 G A -0.0695
1716 E A -0.9079
1717 V A 0.7807
1718 A A 0.1950
1719 T A -0.2783
1720 D A -0.9116
1721 W A 0.2794
1722 M A 0.2146
1723 D A -1.3591
1724 T A -1.4685
1725 E A -2.1954
1726 C A -0.7366
1727 P A -1.5176
1728 E A -2.7941
1729 A A -1.9452
1730 K A -2.9660
1731 R A -2.4346
1732 L A -0.3913
1733 K A -1.7107
1734 V A -0.3468
1735 E A -2.3000
1736 E A -2.6088
1737 P A -1.4119
1738 G A -1.2280
1739 M A -0.0507
1740 G A -1.2832
1741 A A -1.3557
1742 E A -2.3883
1743 E A -2.3965
1744 A A -0.7464
1745 V A 0.6819
1746 D A -0.3355
1747 C A 0.2700
1748 R A -0.9004
1749 Q A -1.2884
1750 W A -0.1041
1751 T A -0.8656
1752 Q A -0.7824
1753 H A -0.3650
1754 H A 0.0000
1755 L A 1.0039
1756 V A 1.3013
1757 A A 0.0000
1758 A A 0.2981
1759 D A -0.5964
1760 I A 1.0481
1761 R A -0.7580
1762 V A 0.5854
1763 A A 0.3419
1764 P A 0.1577
1765 A A 0.7718
1766 M A 1.5951
1767 A A 1.0638
1768 L A 1.7680
1769 T A 0.4231
1770 P A -0.5516
1771 P A -1.1455
1772 Q A -2.2329
1773 G A -2.2803
1774 D A -3.2470
1775 A A -2.7101
1776 D A -2.9048
1777 A A -2.2978
1778 D A -2.9189
1779 G A -2.0848
1780 M A -0.9485
1781 D A -1.9845
1782 V A 0.0000
1783 N A -1.4779
1784 V A -1.1612
1785 R A -1.4258
1786 G A 0.0000
1787 P A -0.7222
1788 D A -1.6484
1789 G A 0.0000
1790 F A -0.6912
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 0.5926
1799 C A 0.1559
1800 G A -0.4621
1801 G A -0.1771
1802 A A -0.0710
1803 L A 0.4865
1804 E A -1.1804
1805 P A -0.3352
1806 M A 0.2489
1807 P A -1.5475
1808 T A -1.9171
1809 E A -3.4533
1810 E A -4.1221
1811 D A -4.3534
1812 E A -4.4183
1813 A A -3.3305
1814 D A -3.5619
1815 D A -3.1061
1816 T A -1.9076
1817 S A -1.0059
1818 A A -1.0999
1819 S A -1.3592
1820 I A -0.7130
1821 I A 0.0000
1822 S A -1.0109
1823 D A -1.6427
1824 L A 0.0000
1825 I A -0.5317
1826 C A -0.2427
1827 Q A -1.2330
1828 G A -1.2604
1829 A A 0.0000
1830 Q A -1.5981
1831 L A -1.1037
1832 G A -1.3254
1833 A A 0.0000
1834 R A -1.9915
1835 T A 0.0000
1836 D A -3.1273
1837 R A -3.0189
1838 T A -1.8809
1839 G A -1.9711
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 0.1062
1849 Y A 0.9386
1850 A A 0.2390
1851 R A 0.0000
1852 A A -0.5618
1853 D A -1.0900
1854 A A 0.0000
1855 A A 0.0000
1856 K A -1.7928
1857 R A -1.8306
1858 L A 0.0000
1859 L A -1.7162
1860 D A -2.3253
1861 A A -1.3232
1862 G A -1.6215
1863 A A -1.7947
1864 D A -2.2301
1865 T A 0.0000
1866 N A -1.8256
1867 A A 0.0000
1868 Q A -1.7035
1869 D A 0.0000
1870 H A -1.8500
1871 S A -0.8901
1872 G A -1.2205
1873 R A -1.2083
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 -0.1397
1882 A A 0.0619
1883 D A -0.4369
1884 A A 0.0000
1885 Q A -0.6215
1886 G A -0.3615
1887 V A 0.0000
1888 F A 0.0000
1889 Q A -0.5162
1890 I A -0.7094
1891 L A 0.0000
1892 I A -1.4678
1893 R A -2.3850
1894 N A -2.2420
1895 R A -2.7506
1896 S A -2.1263
1897 T A 0.0000
1898 D A -1.9993
1899 L A -1.5834
1900 D A -1.8054
1901 A A -1.5484
1902 R A -1.9942
1903 M A -1.3946
1904 A A -1.1495
1905 D A -1.4865
1906 G A -1.4523
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 0.2794
1916 L A 0.6375
1917 A A -0.2537
1918 V A -0.8805
1919 E A -2.3671
1920 G A -2.3313
1921 M A 0.0000
1922 V A 0.0000
1923 E A -2.8594
1924 E A -1.9446
1925 L A 0.0000
1926 I A -1.3978
1927 A A -1.0639
1928 S A -1.2963
1929 H A -1.6772
1930 A A 0.0000
1931 D A -1.7631
1932 V A -1.2456
1933 N A -1.0291
1934 A A 0.0000
1935 V A -0.3498
1936 D A 0.0000
1937 E A -1.8748
1938 L A -0.6033
1939 G A -0.6734
1940 K A -0.5105
1941 S A 0.0000
1942 A A 0.0000
1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.3105
1946 A A 0.0000
1947 A A 0.0000
1948 A A -0.2565
1949 V A 0.5114
1950 N A -0.6314
1951 N A 0.0000
1952 V A -0.6068
1953 E A -1.9761
1954 A A 0.0000
1955 T A 0.0000
1956 L A -0.6411
1957 A A 0.0000
1958 L A 0.0000
1959 L A 0.0000
1960 K A -2.1343
1961 N A -2.2268
1962 G A -1.7964
1963 A A 0.0000
1964 N A -1.8005
1965 K A -1.4238
1966 D A -1.3148
1967 M A -1.1134
1968 Q A -1.5017
1969 D A 0.0000
1970 S A -1.2624
1971 K A -1.5501
1972 E A -2.0301
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 -1.7980
1982 E A -1.9779
1983 G A -1.4757
1984 S A 0.0000
1985 Y A -0.9711
1986 E A -1.2979
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.4017
1990 L A -0.9830
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.7414
1994 H A -0.9034
1995 F A -0.1266
1996 A A 0.0000
1997 N A -0.9717
1998 R A -1.4597
1999 E A -2.1752
2000 I A -1.3789
2001 T A -1.6142
2002 D A 0.0000
2003 H A -1.8995
2004 L A -0.9344
2005 D A -2.0874
2006 R A -1.4440
2007 L A -1.1244
2008 P A 0.0000
2009 R A -2.4779
2010 D A -1.4224
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.9336
2014 E A -1.4595
2015 R A -1.8163
2016 L A -0.2900
2017 H A -1.8476
2018 Q A -2.5036
2019 D A -2.6448
2020 I A 0.0000
2021 V A -2.6271
2022 R A -3.7268
2023 L A 0.0000
2024 L A 0.0000
2025 D A -3.2384
2026 Q A -2.5079
2027 P A -1.5565
2028 S A -1.2201
2029 G A -0.9578
2030 P A -0.9717
2031 R A -0.8833
2032 S A -1.0334
2033 P A -0.8896
2034 P A -0.9999
2035 G A -1.1970
2036 P A -0.9945
2037 H A -1.1799
2038 G A -0.5471
2039 L A 0.9729
2040 G A 0.5208
2041 P A 1.2595
2042 L A 2.5022
2043 L A 2.3987
2044 C A 1.6493
2045 P A 0.5532
2046 P A 0.1232
2047 G A 0.2546
2048 A A 1.1229
2049 F A 2.4239
2050 L A 2.4436
2051 P A 1.0782
2052 G A 0.3682
2053 L A 0.6629
2054 K A -1.1992
2055 A A -0.7891
2056 A A -0.8959
2057 Q A -1.6214
2058 S A -1.2614
2059 G A -1.3281
2060 S A -1.9025
2061 K A -2.8913
2062 K A -3.1474
2063 S A -2.8433
2064 R A -3.3054
2065 R A -3.0206
2066 P A -1.9137
2067 P A -1.6483
2068 G A -1.6857
2069 K A -2.0589
2070 A A -0.8893
2071 G A -0.1760
2072 L A 1.0343
2073 G A -0.1738
2074 P A -0.8372
2075 Q A -1.7192
2076 G A -1.6807
2077 P A -1.7560
2078 R A -2.7924
2079 G A -2.6280
2080 R A -3.3952
2081 G A -2.7037
2082 K A -2.9121
2083 K A -1.9161
2084 L A 0.6383
2085 T A 0.8256
2086 L A 1.9432
2087 A A 1.2399
2088 C A 0.9070
2089 P A 0.2883
2090 G A -0.1227
2091 P A 0.0850
2092 L A 0.8788
2093 A A -0.2774
2094 D A -1.3929
2095 S A -0.4355
2096 S A 0.2218
2097 V A 1.7658
2098 T A 1.3813
2099 L A 2.0579
2100 S A 0.9061
2101 P A 0.3356
2102 V A 1.0146
2103 D A -0.9670
2104 S A -0.5866
2105 L A 0.2582
2106 D A -1.6589
2107 S A -1.2180
2108 P A -1.5891
2109 R A -1.8999
2110 P A -0.3880
2111 F A 1.0575
2112 G A 0.1983
2113 G A -0.4507
2114 P A -0.7034
2115 P A -0.5125
2116 A A -0.3834
2117 S A -0.4757
2118 P A -0.6804
2119 G A -0.4345
2120 G A 0.3127
2121 F A 1.6723
2122 P A 0.7630
2123 L A 0.8267
2124 E A -1.2194
2125 G A -0.8706
2126 P A -0.1454
2127 Y A 1.1367
2128 A A 0.7677
2129 A A 0.3842
2130 A A 0.0734
2131 T A -0.0095
2132 A A 0.0127
2133 T A 0.3653
2134 A A 0.8369
2135 V A 2.0311
2136 S A 1.5139
2137 L A 1.6113
2138 A A 0.7446
2139 Q A -0.1486
2140 L A 0.5995
2141 G A -0.1488
2142 G A -0.8070
2143 P A -1.2774
2144 G A -1.6110
2145 R A -2.2514
2146 A A -0.9212
2147 G A -0.2401
2148 L A 0.6433
2149 G A -1.1803
2150 R A -2.4592
2151 Q A -2.4157
2152 P A -1.5724
2153 P A -0.9000
2154 G A -0.4701
2155 G A 0.2422
2156 C A 1.6201
2157 V A 2.8477
2158 L A 2.8522
2159 S A 1.8989
2160 L A 2.4155
2161 G A 1.5095
2162 L A 2.2509
2163 L A 1.9626
2164 N A 0.1558
2165 P A 0.7337
2166 V A 1.8961
2167 A A 1.8139
2168 V A 2.2293
2169 P A 1.0708
2170 L A 1.2706
2171 D A -0.4753
2172 W A 0.3747
2173 A A -0.1559
2174 R A -1.0370
2175 L A 0.5598
2176 P A -0.1125
2177 P A -0.3174
2178 P A -0.3078
2179 A A -0.4059
2180 P A -0.5915
2181 P A -0.7240
2182 G A -0.6156
2183 P A -0.2695
2184 S A 1.1236
2185 F A 2.8356
2186 L A 3.3510
2187 L A 3.0047
2188 P A 1.8849
2189 L A 1.9048
2190 A A 0.6695
2191 P A -0.2810
2192 G A -0.8142
2193 P A -0.8057
2194 Q A -0.2908
2195 L A 1.4282
2196 L A 1.4440
2197 N A -0.4358
2198 P A -0.9052
2199 G A -0.7825
2200 T A -0.2723
2201 P A 0.3565
2202 V A 1.2724
2203 S A -0.0230
2204 P A -1.1422
2205 Q A -2.5906
2206 E A -3.5164
2207 R A -3.2330
2208 P A -2.0116
2209 P A -0.6883
2210 P A 0.6006
2211 Y A 2.0980
2212 L A 2.4860
2213 A A 1.9799
2214 V A 1.9244
2215 P A 0.2924
2216 G A -0.7195
2217 H A -1.7621
2218 G A -2.4794
2219 E A -2.9366
2220 E A -2.2843
2221 Y A -0.1061
2222 P A 0.0792
2223 A A -0.0330
2224 A A -0.1793
2225 G A -0.6087
2226 A A -0.6862
2227 H A -1.2185
2228 S A -0.8628
2229 S A -0.7403
2230 P A -0.9035
2231 P A -1.2758
2232 K A -2.2764
2233 A A -1.4216
2234 R A -0.9314
2235 F A 1.4961
2236 L A 1.6265
2237 R A 0.2084
2238 V A 0.7948
2239 P A -0.2737
2240 S A -1.0965
2241 E A -2.3797
2242 H A -1.6371
2243 P A -0.1850
2244 Y A 1.7628
2245 L A 2.0020
2246 T A 0.8883
2247 P A -0.1285
2248 S A -0.9002
2249 P A -1.3646
2250 E A -2.1666
2251 S A -1.7920
2252 P A -1.9930
2253 E A -2.2423
2254 H A -1.2648
2255 W A 0.2381
2256 A A 0.2513
2257 S A -0.1128
2258 P A -0.5441
2259 S A -0.5950
2260 P A -0.5869
2261 P A -0.2793
2262 S A 0.0809
2263 L A 0.9749
2264 S A -0.0799
2265 D A -1.1847
2266 W A -0.1817
2267 S A -1.0605
2268 E A -1.9653
2269 S A -1.1431
2270 T A -0.8602
2271 P A -0.6908
2272 S A -0.4729
2273 P A -0.4160
2274 A A -0.1689
2275 T A -0.1075
2276 A A -0.1229
2277 T A -0.2757
2278 G A -0.2443
2279 A A 0.3498
2280 M A 1.0024
2281 A A 0.5797
2282 T A 0.1265
2283 T A -0.2318
2284 T A -0.3443
2285 G A -0.1710
2286 A A 0.5529
2287 L A 1.3548
2288 P A 0.2669
2289 A A -0.4209
2290 Q A -1.0155
2291 P A -0.1053
2292 L A 1.3520
2293 P A 1.2588
2294 L A 1.9872
2295 S A 1.3829
2296 V A 1.8050
2297 P A 0.4265
2298 S A 0.2611
2299 S A 0.5025
2300 L A 1.1481
2301 A A 0.1144
2302 Q A -1.0620
2303 A A -1.1963
2304 Q A -1.7052
2305 T A -0.8952
2306 Q A -0.7064
2307 L A 0.5794
2308 G A -0.3804
2309 P A -0.8353
2310 Q A -1.9671
2311 P A -1.4381
2312 E A -1.3270
2313 V A 0.6954
2314 T A -0.0473
2315 P A -1.3687
2316 K A -2.8608
2317 R A -2.8808
2318 Q A -1.2013
2319 V A 1.2421
2320 L A 2.1620
2321 A A 1.2032
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 -0.0465 7.3246 View CSV PDB
4.5 -0.1315 7.2693 View CSV PDB
5.0 -0.2344 7.1787 View CSV PDB
5.5 -0.341 7.0659 View CSV PDB
6.0 -0.4387 6.9494 View CSV PDB
6.5 -0.5199 6.8473 View CSV PDB
7.0 -0.5845 6.7766 View CSV PDB
7.5 -0.6377 6.7406 View CSV PDB
8.0 -0.6828 6.7319 View CSV PDB
8.5 -0.7181 6.7319 View CSV PDB
9.0 -0.7397 6.7319 View CSV PDB