Project name: C43F_var03_4D

Status: done

Started: 2026-05-04 05:44:45
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPFLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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             (00:00:01)
[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.  (00:00:20)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:20)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:26)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/780af3f245a8240/tmp/folded.pdb                (00:18:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:36:41)
Show buried residues

Minimal score value
-4.6749
Maximal score value
5.7522
Average score
-0.7571
Total score value
-1757.1933

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 0.7135
2 G A -0.1950
3 P A -0.6328
4 G A -0.9677
5 A A -1.3498
6 R A -2.5401
7 G A -2.6859
8 R A -3.8155
9 R A -4.5320
10 R A -4.6053
11 R A -4.6036
12 R A -4.4579
13 R A -3.0770
14 P A -1.1013
15 M A 0.3090
16 S A -0.1197
17 P A -0.3192
18 P A -0.6212
19 P A -0.6253
20 P A -0.6255
21 P A -0.4475
22 P A -0.3786
23 P A -0.0032
24 V A 0.8562
25 R A -0.6796
26 A A 0.4704
27 L A 1.6885
28 P A 1.7654
29 L A 3.1764
30 L A 3.7599
31 L A 3.9259
32 L A 3.6349
33 L A 2.7674
34 A A 1.0774
35 G A -0.0229
36 P A -0.4870
37 G A -0.6402
38 A A -0.2922
39 A A -0.1496
40 A A 0.0257
41 P A 0.2289
42 P A 0.6895
43 F A 1.5613
44 L A 1.1257
45 D A -0.9215
46 G A -0.6832
47 S A -0.8674
48 P A -0.8251
49 C A 0.0000
50 A A -1.2018
51 N A -1.3167
52 G A -1.3360
53 G A 0.0000
54 R A -1.6604
55 C A -0.7185
56 T A -0.9530
57 Q A -2.0633
58 L A -1.3588
59 P A -1.3407
60 S A -1.8165
61 R A -3.0734
62 E A -2.9738
63 A A -2.0103
64 A A -1.3682
65 C A -0.9201
66 L A 0.4790
67 C A -0.3444
68 P A -0.1748
69 P A -0.4259
70 G A -0.9832
71 W A -0.8501
72 V A -0.8685
73 G A -1.0949
74 E A -2.2010
75 R A -2.3487
76 C A 0.0000
77 Q A -1.8806
78 L A -1.5533
79 E A -2.2599
80 D A -1.5958
81 P A -1.3686
82 C A -0.9451
83 H A -1.5996
84 S A -1.1459
85 G A -0.8971
86 P A -0.4916
87 C A -0.8754
88 A A -0.6300
89 G A -1.0908
90 R A -1.8818
91 G A -1.1107
92 V A 0.4758
93 C A -0.2178
94 Q A -0.6652
95 S A -0.4764
96 S A -0.0977
97 V A 0.5864
98 V A 1.5073
99 A A 0.6020
100 G A -0.2362
101 T A -0.1827
102 A A 0.0000
103 R A -1.3377
104 F A -0.7044
105 S A -0.8793
106 C A -0.9880
107 R A -1.7266
108 C A -1.1461
109 P A -1.2925
110 R A -1.8743
111 G A 0.0000
112 F A -0.1507
113 R A -0.5563
114 G A -0.5919
115 P A -0.8759
116 D A -1.0476
117 C A 0.0000
118 S A -0.3214
119 L A 0.5231
120 P A 0.2215
121 D A 0.0145
122 P A 0.1585
123 C A 0.3631
124 L A 0.8492
125 S A 0.3151
126 S A -0.1004
127 P A -0.4049
128 C A -1.2278
129 A A -1.6759
130 H A -1.7336
131 G A -1.3104
132 A A -1.6297
133 R A -1.9230
134 C A -0.3695
135 S A -0.2123
136 V A -0.0317
137 G A -0.7130
138 P A -1.2434
139 D A -2.2900
140 G A -1.5075
141 R A -1.9858
142 F A -0.6163
143 L A -0.2562
144 C A -0.9138
145 S A -1.0259
146 C A -1.4014
147 P A -0.8303
148 P A -0.4991
149 G A 0.0000
150 Y A -1.8359
151 Q A -2.4511
152 G A -2.5019
153 R A -2.4620
154 S A -1.9835
155 C A 0.0000
156 R A -2.9761
157 S A -2.3281
158 D A -1.9816
159 V A -1.1253
160 D A -1.0468
161 E A -1.3013
162 C A -1.3755
163 R A -1.6556
164 V A 0.1496
165 G A -1.0523
166 E A -2.3315
167 P A -1.6996
168 C A 0.0000
169 R A -2.7354
170 H A -2.0098
171 G A -1.6875
172 G A -1.6674
173 T A -1.2348
174 C A -1.3930
175 L A -0.6697
176 N A -1.1486
177 T A -0.7813
178 P A -0.9573
179 G A -1.0779
180 S A -0.7861
181 F A -0.9032
182 R A -1.8571
183 C A -1.5903
184 Q A -1.5149
185 C A -1.2485
186 P A -0.6055
187 A A 0.0154
188 G A 0.1094
189 Y A -0.3999
190 T A -0.6832
191 G A -0.9779
192 P A -1.0941
193 L A -1.3549
194 C A 0.0000
195 E A -1.9054
196 N A -1.6070
197 P A -0.3832
198 A A 0.3987
199 V A 1.2183
200 P A 0.0236
201 C A -0.1947
202 A A 0.3349
203 P A 0.0582
204 S A -0.6291
205 P A -1.0994
206 C A -2.2074
207 R A -2.8961
208 N A -1.9464
209 G A -1.3482
210 G A -1.5933
211 T A -1.1795
212 C A -1.8304
213 R A -2.9351
214 Q A -2.4121
215 S A -1.8215
216 G A -1.3211
217 D A -1.2508
218 L A 0.4170
219 T A -0.6455
220 Y A -1.6426
221 D A -2.8510
222 C A 0.0000
223 A A -0.9415
224 C A -0.8492
225 L A 0.1451
226 P A -0.0195
227 G A -0.3709
228 F A -1.0022
229 E A -2.1774
230 G A -1.9688
231 Q A -2.3725
232 N A -2.3385
233 C A 0.0000
234 E A -2.4642
235 V A -0.5068
236 N A -0.5571
237 V A -0.8059
238 D A -1.7463
239 D A -1.6130
240 C A -1.5590
241 P A -1.3202
242 G A -1.3101
243 H A -1.6220
244 R A -2.1240
245 C A 0.0000
246 L A 0.0437
247 N A -0.8617
248 G A -0.6132
249 G A -0.8279
250 T A -0.6647
251 C A -0.8622
252 V A -0.4539
253 D A -1.0188
254 G A -0.3020
255 V A 0.6862
256 N A -0.7164
257 T A -0.7159
258 Y A -1.3111
259 N A -1.8644
260 C A -1.3700
261 Q A -1.4178
262 C A -1.1157
263 P A -0.6532
264 P A -0.7609
265 E A -1.2820
266 W A -1.2072
267 T A -1.3898
268 G A -1.6134
269 Q A -1.9339
270 F A -1.4038
271 C A 0.0000
272 T A -1.2291
273 E A -2.1047
274 D A -1.4526
275 V A -1.1292
276 D A -1.3465
277 E A -1.3369
278 C A -0.9456
279 Q A -1.2399
280 L A -0.1545
281 Q A -1.5584
282 P A -1.5164
283 N A -2.1602
284 A A -1.3525
285 C A 0.0000
286 H A -2.1027
287 N A -1.7149
288 G A -0.9899
289 G A -0.2190
290 T A 0.6444
291 C A 0.3912
292 F A 1.5195
293 N A -0.1189
294 T A 0.3298
295 L A 0.6910
296 G A -0.4884
297 G A -0.3139
298 H A -0.4402
299 S A 0.1359
300 C A 0.6323
301 V A 1.9070
302 C A 0.3004
303 V A 0.2752
304 N A -0.4746
305 G A -0.8648
306 W A -0.6441
307 T A -0.8992
308 G A -1.2884
309 E A -2.0261
310 S A -1.5270
311 C A 0.0000
312 S A -1.6376
313 Q A -1.8868
314 N A -1.4630
315 I A -0.9323
316 D A -2.1142
317 D A -1.0603
318 C A -0.3987
319 A A -0.2590
320 T A 0.0352
321 A A 0.8922
322 V A 2.0368
323 C A 1.7535
324 F A 1.1783
325 H A -0.5334
326 G A -0.3863
327 A A 0.3034
328 T A 0.3067
329 C A 0.5357
330 H A -0.7405
331 D A -1.4466
332 R A -1.7813
333 V A -1.0671
334 A A -0.7464
335 S A -0.7212
336 F A 0.1397
337 Y A 1.1331
338 C A 0.0000
339 A A 0.6314
340 C A 0.5829
341 P A 0.1893
342 M A 0.8553
343 G A 0.0361
344 K A -0.8988
345 T A -0.6264
346 G A 0.2251
347 L A 2.0586
348 L A 1.7519
349 C A 0.0000
350 H A -0.1616
351 L A -1.1155
352 D A -2.0015
353 D A -1.2357
354 A A -1.0021
355 C A -0.2407
356 V A 0.8653
357 S A 0.0056
358 N A -0.9272
359 P A -0.8126
360 C A -1.3585
361 H A -2.2248
362 E A -2.9022
363 D A -2.4002
364 A A -0.9164
365 I A 0.9189
366 C A -0.0545
367 D A -1.0878
368 T A 0.0000
369 N A 0.0000
370 P A -0.5744
371 V A -0.1458
372 N A -1.4151
373 G A -1.7803
374 R A -1.9496
375 A A 0.0000
376 I A -0.2973
377 C A -0.5012
378 T A 0.0205
379 C A -0.5820
380 P A 0.0000
381 P A -0.4305
382 G A -0.7435
383 F A -1.4445
384 T A -1.4837
385 G A -1.7923
386 G A -1.3671
387 A A -1.1307
388 C A 0.0000
389 D A -2.9859
390 Q A -2.6042
391 D A -2.0423
392 V A -0.9138
393 D A -0.9439
394 E A -0.1974
395 C A -0.0865
396 S A 0.0383
397 I A 1.2421
398 G A 0.1888
399 A A -0.3727
400 N A -1.5350
401 P A -1.0951
402 C A 0.0000
403 E A -2.8465
404 H A -1.7618
405 L A -0.0346
406 G A 0.0000
407 R A -2.1750
408 C A 0.0000
409 V A 0.2162
410 N A -0.3638
411 T A -0.4132
412 Q A -1.5167
413 G A -1.2795
414 S A -0.2505
415 F A 0.4443
416 L A 0.7702
417 C A -1.0526
418 Q A -1.5529
419 C A -1.7647
420 G A -1.3549
421 R A -1.9579
422 G A 0.0000
423 Y A -1.3642
424 T A -1.6802
425 G A -1.7609
426 P A -1.3153
427 R A -2.7881
428 C A 0.0000
429 E A -2.9001
430 T A -1.9896
431 D A -1.9669
432 V A -0.7128
433 N A -0.6065
434 E A -0.6001
435 C A -0.2037
436 L A 0.8112
437 S A 0.2284
438 G A -0.4306
439 P A -0.3269
440 C A -1.0245
441 R A -2.3187
442 N A -1.9583
443 Q A -1.8534
444 A A -0.8359
445 T A -0.4308
446 C A -0.3050
447 L A -0.8150
448 D A -1.8881
449 R A -1.2907
450 I A 0.1629
451 G A 0.0000
452 Q A -1.4007
453 F A -0.7695
454 T A -0.3170
455 C A 0.0505
456 I A 0.5864
457 C A 0.2889
458 M A 0.0316
459 A A 0.1639
460 G A -0.7583
461 F A 0.0000
462 T A -0.2755
463 G A -0.1660
464 T A 0.1220
465 Y A 0.0484
466 C A 0.0000
467 E A -1.0453
468 V A -0.3933
469 D A -1.9789
470 I A -1.6238
471 D A -3.2897
472 E A -3.0853
473 C A -2.2354
474 Q A -2.2750
475 S A -1.3571
476 S A -0.5192
477 P A -0.0531
478 C A 0.3042
479 V A 0.5750
480 N A -0.7319
481 G A -0.2519
482 G A 0.3640
483 V A 1.2176
484 C A -0.5844
485 K A -2.3193
486 D A -3.6722
487 R A -2.9283
488 V A -0.6981
489 N A -1.5668
490 G A -1.5146
491 F A -1.6145
492 S A -0.8169
493 C A 0.1716
494 T A 0.3578
495 C A 0.3799
496 P A -0.2650
497 S A -1.1248
498 G A -1.9665
499 F A -1.1828
500 S A -0.6358
501 G A -0.5320
502 S A -0.2233
503 T A 0.0682
504 C A 0.0000
505 Q A -0.9689
506 L A -0.3080
507 D A -2.4143
508 V A -1.8752
509 D A -2.7033
510 E A -2.5109
511 C A -1.4310
512 A A -0.8818
513 S A -0.6986
514 T A -0.8972
515 P A -0.7732
516 C A 0.0000
517 R A -2.8773
518 N A -3.0084
519 G A -2.3012
520 A A -2.8588
521 K A -2.7759
522 C A -1.9819
523 V A -1.4120
524 D A -2.3760
525 Q A -2.5690
526 P A -2.4506
527 D A -2.8358
528 G A -2.0362
529 Y A -1.7835
530 E A -2.1661
531 C A -2.2428
532 R A -2.9530
533 C A -3.0295
534 A A -1.9785
535 E A -1.8957
536 G A -1.0828
537 F A -2.3172
538 E A -3.3515
539 G A -2.2393
540 T A -1.6134
541 L A -2.0572
542 C A 0.0000
543 D A -3.6463
544 R A -3.3595
545 N A -1.9871
546 V A -1.3426
547 D A -1.5557
548 D A -1.1522
549 C A -1.6404
550 S A -1.4530
551 P A -1.4475
552 D A -2.6976
553 P A -1.9409
554 C A 0.0000
555 H A -2.6165
556 H A -2.0814
557 G A -1.9386
558 R A -2.3419
559 C A -1.6021
560 V A -0.5039
561 D A -1.3078
562 G A 0.2001
563 I A 1.0713
564 A A 0.0757
565 S A 0.0726
566 F A -0.1832
567 S A -0.4694
568 C A -1.2736
569 A A -0.5278
570 C A -1.1685
571 A A -0.9144
572 P A -0.6710
573 G A 0.0000
574 Y A -1.1430
575 T A -1.1502
576 G A -1.3385
577 T A -1.0725
578 R A -2.4268
579 C A 0.0000
580 E A -2.7619
581 S A -1.8940
582 Q A -1.6452
583 V A -1.3616
584 D A -2.4128
585 E A -2.1826
586 C A -2.2499
587 R A -2.8649
588 S A -1.9015
589 Q A -2.7771
590 P A -1.4554
591 C A -1.7625
592 R A -2.7936
593 H A -1.6855
594 G A -2.1237
595 G A -2.2459
596 K A -2.7523
597 C A -1.7271
598 L A -0.9427
599 D A -2.0020
600 L A -0.1654
601 V A 0.0576
602 D A -2.0483
603 K A -1.7723
604 Y A -0.6974
605 L A 0.5647
606 C A -0.9337
607 R A -2.0305
608 C A -1.2843
609 P A -1.2317
610 S A -0.4066
611 G A -0.5309
612 T A 0.0000
613 T A 0.1889
614 G A 0.4506
615 V A 1.4191
616 N A -0.4782
617 C A 0.0000
618 E A -0.6622
619 V A 0.6879
620 N A -0.4641
621 I A 0.1783
622 D A -1.9686
623 D A -2.6625
624 C A 0.0000
625 A A -1.0512
626 S A -1.2255
627 N A -1.1408
628 P A -0.5032
629 C A -0.1170
630 T A 0.3268
631 F A 0.9023
632 G A 0.4462
633 V A 0.9841
634 C A -0.6856
635 R A -2.4546
636 D A -2.4031
637 G A -1.7080
638 I A -0.2463
639 N A -1.8576
640 R A -2.8927
641 Y A -2.5716
642 D A -2.1264
643 C A -0.4717
644 V A 0.5445
645 C A 0.1773
646 Q A -0.9228
647 P A -1.3330
648 G A 0.0000
649 F A -0.6535
650 T A 0.2252
651 G A 0.2343
652 P A -0.1760
653 L A 0.5009
654 C A 0.0000
655 N A -0.3910
656 V A 0.6240
657 E A -1.5547
658 I A -0.9966
659 N A -1.8166
660 E A -1.7799
661 C A -0.8510
662 A A -0.5125
663 S A -0.4931
664 S A -0.3477
665 P A -0.3351
666 C A -0.1085
667 G A -0.7168
668 E A -2.1659
669 G A -1.2600
670 G A -0.4140
671 S A -0.3056
672 C A -0.1260
673 V A -0.3794
674 D A -2.4480
675 G A -2.6665
676 E A -3.3618
677 N A -2.9337
678 G A -1.8856
679 F A -1.2434
680 R A -1.1698
681 C A 0.1886
682 L A 1.2400
683 C A 0.3738
684 P A -0.2639
685 P A -0.2832
686 G A -0.5145
687 S A -0.1152
688 L A 0.5553
689 P A 0.3566
690 P A 0.3327
691 L A 1.2251
692 C A 0.0000
693 L A 0.2378
694 P A -0.3878
695 P A -0.5635
696 S A -0.6231
697 H A -0.8487
698 P A -1.1403
699 C A -1.0402
700 A A -1.1860
701 H A -1.8856
702 E A -1.7740
703 P A 0.0000
704 C A -0.6131
705 S A -0.8727
706 H A -0.4562
707 G A 0.2097
708 I A 1.8207
709 C A 0.3237
710 Y A 0.0919
711 D A -1.7496
712 A A -1.2017
713 P A -1.0152
714 G A -0.9933
715 G A -0.8860
716 F A -1.0102
717 R A -1.3632
718 C A -0.3301
719 V A 1.0779
720 C A -0.2553
721 E A -1.2249
722 P A -0.9964
723 G A -0.6165
724 W A -0.5361
725 S A -0.6668
726 G A -0.8912
727 P A -1.1702
728 R A -1.8080
729 C A 0.0000
730 S A -1.3186
731 Q A -1.2603
732 S A -0.3126
733 L A 0.7442
734 A A -0.6769
735 R A -2.5340
736 D A -3.1720
737 A A -1.8752
738 C A -1.9166
739 E A -2.9131
740 S A -1.7870
741 Q A -1.9833
742 P A -1.5348
743 C A -1.8775
744 R A -2.5785
745 A A -1.0346
746 G A -1.1071
747 G A -1.4932
748 T A -0.6905
749 C A -0.9723
750 S A -0.7913
751 S A -1.2093
752 D A -1.6855
753 G A -0.9991
754 M A 0.3873
755 G A -0.2126
756 F A -0.2768
757 H A -1.2769
758 C A -1.3421
759 T A -0.9457
760 C A -0.8420
761 P A -0.2249
762 P A -0.2321
763 G A 0.1599
764 V A 0.0000
765 Q A -0.7355
766 G A -1.5208
767 R A -2.5617
768 Q A -2.2536
769 C A 0.0000
770 E A -1.2341
771 L A 0.2281
772 L A 1.4442
773 S A 0.4089
774 P A 0.1006
775 C A -0.5454
776 T A -0.3958
777 P A -0.7416
778 N A -2.3601
779 P A -1.5101
780 C A 0.0000
781 E A -3.3357
782 H A -2.9049
783 G A -2.5576
784 G A 0.0000
785 R A -2.7009
786 C A -1.8633
787 E A -1.7476
788 S A -0.6914
789 A A -0.5902
790 P A -0.9083
791 G A -0.8640
792 Q A -0.7179
793 L A 1.0145
794 P A 0.2171
795 V A 0.9871
796 C A -0.7792
797 S A -0.9125
798 C A -1.3850
799 P A -1.5851
800 Q A -1.3963
801 G A 0.0000
802 W A -1.9422
803 Q A -2.1069
804 G A -1.3157
805 P A -0.7440
806 R A -1.7575
807 C A 0.0000
808 Q A -2.1925
809 Q A -2.4400
810 D A -1.8741
811 V A -1.4490
812 D A -1.8523
813 E A -1.5026
814 C A -0.4390
815 A A -0.7845
816 G A -0.8802
817 P A -0.5298
818 A A -0.1064
819 P A -0.0642
820 C A 0.0000
821 G A -0.5451
822 P A -0.6086
823 H A -1.1743
824 G A -0.0683
825 I A 1.5234
826 C A 0.9432
827 T A 0.3253
828 N A -0.1963
829 L A 0.3443
830 A A -0.2322
831 G A -0.8662
832 S A -0.4827
833 F A 0.2144
834 S A 0.4197
835 C A 0.4532
836 T A 0.3473
837 C A -0.5729
838 H A -1.0199
839 G A -0.8298
840 G A -0.6691
841 Y A -1.2664
842 T A -1.3813
843 G A -1.1537
844 P A -0.8247
845 S A -0.9557
846 C A 0.0000
847 D A -2.7500
848 Q A -2.4292
849 D A -1.8707
850 I A -1.1326
851 N A -2.3026
852 D A -1.9800
853 C A -2.0859
854 D A -2.5897
855 P A -1.9601
856 N A -1.7162
857 P A -1.1156
858 C A 0.0000
859 L A -0.3756
860 N A -0.5144
861 G A 0.0793
862 G A 0.0000
863 S A -0.6633
864 C A -1.2482
865 Q A -1.8223
866 D A -1.7957
867 G A -0.4277
868 V A 0.7383
869 G A -0.3677
870 S A -0.3490
871 F A -0.7178
872 S A -0.9250
873 C A -0.7173
874 S A -0.4836
875 C A -0.1342
876 L A 0.4072
877 P A -0.0189
878 G A -0.7253
879 F A -0.8897
880 A A -1.1267
881 G A -1.3149
882 P A -1.1184
883 R A -1.6155
884 C A 0.0000
885 A A -1.5200
886 R A -2.7176
887 D A -2.5791
888 V A -1.0218
889 D A -1.1880
890 E A -0.8395
891 C A -0.4641
892 L A 0.6275
893 S A -0.2881
894 N A -1.1532
895 P A -0.9201
896 C A 0.0000
897 G A -1.4908
898 P A -1.0097
899 G A -0.7855
900 T A -0.6207
901 C A -0.6368
902 T A -0.9753
903 D A -1.8641
904 H A -1.1710
905 V A -0.6489
906 A A -0.4367
907 S A -0.4533
908 F A -0.6292
909 T A -0.1903
910 C A 0.0000
911 T A 0.1792
912 C A -0.2783
913 P A -0.1299
914 P A -0.3600
915 G A -0.5164
916 Y A -0.9918
917 G A -1.0656
918 G A -1.0752
919 F A -0.1349
920 H A -1.4349
921 C A 0.0000
922 E A -2.8446
923 Q A -2.5571
924 D A -2.3032
925 L A -0.7210
926 P A -0.5873
927 D A -0.5542
928 C A -0.2163
929 S A 0.0000
930 P A -0.1858
931 S A 0.1268
932 S A 0.0000
933 C A 0.0000
934 F A -0.3432
935 N A -1.3969
936 G A -0.7928
937 G A -0.2429
938 T A 0.2230
939 C A 0.7152
940 V A 0.7768
941 D A -0.7082
942 G A -0.2644
943 V A 0.3532
944 N A -0.8445
945 S A -0.2670
946 F A 0.2915
947 S A 0.4642
948 C A 0.7897
949 L A 1.4542
950 C A -0.3663
951 R A -1.8436
952 P A -1.1735
953 G A -1.4909
954 Y A -1.3186
955 T A -0.8993
956 G A -0.2879
957 A A 0.1081
958 H A 0.0403
959 C A 0.0000
960 Q A -0.9081
961 H A -1.2270
962 E A -2.2028
963 A A -1.1019
964 D A -1.1404
965 P A -0.8671
966 C A 0.0000
967 L A 0.5531
968 S A -0.4925
969 R A -1.1297
970 P A -0.6668
971 C A -0.4983
972 L A 0.0756
973 H A -0.2129
974 G A -0.0432
975 G A 0.2251
976 V A 1.3835
977 C A 0.3124
978 S A -0.7443
979 A A -0.7938
980 A A -1.0040
981 H A -1.2957
982 P A -1.0125
983 G A -0.8700
984 F A -0.7464
985 R A -1.4763
986 C A -0.3489
987 T A 0.1318
988 C A 0.3059
989 L A 0.7349
990 E A -0.7718
991 S A -0.5554
992 F A 0.0011
993 T A -0.2502
994 G A -0.3081
995 P A -0.9107
996 Q A -0.9824
997 C A 0.0000
998 Q A -0.6693
999 T A -0.1907
1000 L A 0.2889
1001 V A -0.3006
1002 D A -1.7636
1003 W A -1.3646
1004 C A -1.5923
1005 S A -1.9270
1006 R A -2.7369
1007 Q A -2.6493
1008 P A -1.7134
1009 C A -1.6635
1010 Q A -2.2395
1011 N A -1.7242
1012 G A -1.3075
1013 G A -1.3804
1014 R A -1.6085
1015 C A -1.0177
1016 V A -0.0299
1017 Q A -0.5681
1018 T A -0.4071
1019 G A -0.3216
1020 A A -0.3364
1021 Y A 0.1451
1022 C A 0.0000
1023 L A 0.6334
1024 C A -0.4331
1025 P A -0.4564
1026 P A -0.4047
1027 G A -0.8529
1028 W A -1.0011
1029 S A -0.7113
1030 G A -1.0101
1031 R A -1.4351
1032 L A -1.1088
1033 C A 0.0000
1034 D A -1.6971
1035 I A 0.0000
1036 R A -1.7070
1037 S A -1.5803
1038 L A -1.8006
1039 P A -2.1574
1040 C A 0.0000
1041 R A -2.9932
1042 E A -2.4370
1043 A A 0.0000
1044 A A 0.0000
1045 A A -1.1541
1046 Q A -0.8786
1047 I A 1.0407
1048 G A -0.1582
1049 V A -0.7185
1050 R A -2.2623
1051 L A -1.9237
1052 E A -3.2391
1053 Q A -2.9604
1054 L A 0.0000
1055 C A 0.0000
1056 Q A -2.6333
1057 A A -1.9223
1058 G A -1.5488
1059 G A 0.0000
1060 Q A -1.1502
1061 C A -0.9599
1062 V A -0.6551
1063 D A -2.5162
1064 E A -3.1108
1065 D A -3.0472
1066 S A -2.0241
1067 S A -1.9164
1068 H A 0.0000
1069 Y A -0.0731
1070 C A 0.3749
1071 V A 0.9710
1072 C A -0.5186
1073 P A -1.2991
1074 E A -2.0031
1075 G A -1.7404
1076 R A -2.2126
1077 T A -1.5215
1078 G A -1.3893
1079 S A -0.8447
1080 H A -1.1732
1081 C A 0.0000
1082 E A -2.3011
1083 Q A -2.7283
1084 E A -2.8420
1085 V A -1.2578
1086 D A -1.1201
1087 P A -0.4823
1088 C A 0.0000
1089 L A 0.7708
1090 A A 0.0633
1091 Q A -1.0275
1092 P A -0.9035
1093 C A -1.9906
1094 Q A -2.5787
1095 H A -2.0713
1096 G A -1.2153
1097 G A -1.5688
1098 T A -1.2051
1099 C A -0.9303
1100 R A -1.4987
1101 G A 0.0067
1102 Y A 1.0760
1103 M A 1.0119
1104 G A -0.2538
1105 G A 0.2480
1106 Y A -0.1479
1107 M A -0.2746
1108 C A -1.6518
1109 E A -2.0298
1110 C A -1.5961
1111 L A 0.1453
1112 P A -0.1604
1113 G A -0.9791
1114 Y A -2.3607
1115 N A -3.4199
1116 G A -3.4196
1117 D A -3.0540
1118 N A -2.9162
1119 C A 0.0000
1120 E A -4.0289
1121 D A -4.4996
1122 D A -3.5503
1123 V A -2.4005
1124 D A -2.9802
1125 E A -2.3670
1126 C A 0.0000
1127 A A -1.3712
1128 S A -1.1753
1129 Q A -1.7220
1130 P A -0.7267
1131 C A -0.6899
1132 Q A -1.3688
1133 H A -0.8374
1134 G A -1.0382
1135 G A -0.6930
1136 S A -0.7331
1137 C A -0.7508
1138 I A 0.0000
1139 D A -2.2713
1140 L A -0.8734
1141 V A 0.3981
1142 A A -0.5294
1143 R A -1.5431
1144 Y A -0.9375
1145 L A 0.0273
1146 C A 0.0000
1147 S A 0.0000
1148 C A 0.0000
1149 P A -0.4787
1150 P A -0.3271
1151 G A -0.7738
1152 T A 0.0000
1153 L A 0.3990
1154 G A 0.9639
1155 V A 1.9628
1156 L A 0.7803
1157 C A 0.0000
1158 E A -0.3794
1159 I A 0.4654
1160 N A -1.2509
1161 E A -2.0278
1162 D A -2.3874
1163 D A -1.7156
1164 C A -1.0587
1165 G A -1.0966
1166 P A -1.1676
1167 G A -1.1631
1168 P A -0.5842
1169 P A -0.3926
1170 L A 0.3254
1171 D A -1.6235
1172 S A -1.0926
1173 G A -1.1181
1174 P A -1.2316
1175 R A -1.0389
1176 C A 0.0000
1177 L A -0.5997
1178 H A -1.3482
1179 N A -1.6388
1180 G A -0.8956
1181 T A -0.5810
1182 C A -0.2949
1183 V A -0.1003
1184 D A -0.8346
1185 L A -0.0969
1186 V A 0.4600
1187 G A -0.5495
1188 G A -0.6596
1189 F A -0.4919
1190 R A -1.1762
1191 C A -0.4593
1192 T A -0.2268
1193 C A -0.3714
1194 P A -0.5534
1195 P A -0.3582
1196 G A -0.6857
1197 Y A -0.4154
1198 T A 0.2010
1199 G A 0.4402
1200 L A 0.9719
1201 R A -0.1256
1202 C A 0.0000
1203 E A 0.0535
1204 A A 0.0000
1205 D A -0.7694
1206 I A -0.5591
1207 N A -1.2227
1208 E A -1.6387
1209 C A -1.5656
1210 R A -2.1731
1211 S A -1.4669
1212 G A -1.4242
1213 A A -1.5598
1214 C A -1.7702
1215 H A -1.4731
1216 A A -0.7247
1217 A A -0.4800
1218 H A -0.6079
1219 T A -0.9591
1220 R A -0.6462
1221 D A 0.0000
1222 C A -1.0407
1223 L A -0.9706
1224 Q A -1.6978
1225 D A -2.3204
1226 P A -1.2086
1227 G A -1.1501
1228 G A -1.0094
1229 G A -1.2058
1230 F A -1.6513
1231 R A -2.2459
1232 C A 0.0000
1233 L A -0.5038
1234 C A -0.6771
1235 H A -0.1476
1236 A A 0.2564
1237 G A 0.6538
1238 F A 0.6503
1239 S A 0.0028
1240 G A -0.8897
1241 P A -1.6423
1242 R A -2.4614
1243 C A 0.0000
1244 Q A -1.2676
1245 T A 0.1302
1246 V A 1.8846
1247 L A 1.1614
1248 S A -0.1286
1249 P A -0.4644
1250 C A -1.6362
1251 E A -2.1641
1252 S A -1.5641
1253 Q A -2.4365
1254 P A -1.5261
1255 C A -1.8397
1256 Q A -1.8982
1257 H A -1.2656
1258 G A -1.4096
1259 G A -1.8964
1260 Q A -2.3503
1261 C A -2.2646
1262 R A -2.2686
1263 P A -0.9446
1264 S A -0.5029
1265 P A -0.3808
1266 G A -0.4396
1267 P A -0.7143
1268 G A -0.9722
1269 G A -0.9024
1270 G A 0.0000
1271 L A 0.3798
1272 T A -0.1340
1273 F A -0.6074
1274 T A -1.0246
1275 C A -1.6292
1276 H A -1.7615
1277 C A -1.1234
1278 A A -0.5999
1279 Q A -0.6558
1280 P A -0.8870
1281 F A 0.0000
1282 W A -0.8951
1283 G A -0.9739
1284 P A -1.0199
1285 R A -1.9063
1286 C A 0.0000
1287 E A -1.5355
1288 R A -1.8487
1289 V A -0.9874
1290 A A 0.0000
1291 R A -2.7779
1292 S A -2.1412
1293 C A -2.2181
1294 R A -2.5650
1295 E A -2.0045
1296 L A 0.0000
1297 Q A -1.4415
1298 C A 0.0000
1299 P A 0.1875
1300 V A 1.3744
1301 G A 0.4456
1302 V A 0.1014
1303 P A -0.6360
1304 C A -1.6593
1305 Q A -2.2414
1306 Q A -2.9404
1307 T A -1.9853
1308 P A -1.2732
1309 R A -1.7384
1310 G A -1.7979
1311 P A 0.0000
1312 R A -2.2156
1313 C A -1.1244
1314 A A -0.7426
1315 C A -0.5588
1316 P A -0.1951
1317 P A -0.1609
1318 G A -0.1418
1319 L A 0.0179
1320 S A -0.3341
1321 G A -0.7691
1322 P A -0.9966
1323 S A -1.1796
1324 C A 0.0000
1325 R A -1.5489
1326 S A -0.2864
1327 F A 1.0892
1328 P A 0.0137
1329 G A -0.1623
1330 S A -0.1884
1331 P A -0.5605
1332 P A -0.9044
1333 G A -1.0681
1334 A A -0.9537
1335 S A -1.0975
1336 N A -1.7382
1337 A A -0.7387
1338 S A -0.9166
1339 C A -0.8343
1340 A A -0.1361
1341 A A 0.1230
1342 A A 0.0184
1343 P A 0.0000
1344 C A -0.5379
1345 L A -0.0818
1346 H A -0.8963
1347 G A -0.6678
1348 G A -0.8063
1349 S A -0.8010
1350 C A -1.3012
1351 R A -2.5531
1352 P A -1.5280
1353 A A -0.8735
1354 P A -0.1139
1355 L A 0.6992
1356 A A -0.1832
1357 P A -0.3515
1358 F A 0.0000
1359 F A -1.2251
1360 R A -2.1847
1361 C A -1.1688
1362 A A -0.7171
1363 C A -0.5170
1364 A A -0.6537
1365 Q A -1.2969
1366 G A -0.7213
1367 W A -0.4956
1368 T A -0.4491
1369 G A -0.4068
1370 P A -0.7889
1371 R A 0.0000
1372 C A 0.0000
1373 E A -1.0855
1374 A A -0.5458
1375 P A -0.5915
1376 A A -0.3651
1377 A A -0.3773
1378 A A -0.4144
1379 P A -0.5169
1380 E A -1.3614
1381 V A -0.1914
1382 S A -1.2299
1383 E A -2.8848
1384 E A -2.9714
1385 P A -2.5466
1386 R A -2.9686
1387 C A -1.7568
1388 P A -1.5201
1389 R A -1.6551
1390 A A -0.8118
1391 A A -1.2273
1392 C A 0.0000
1393 Q A -2.1235
1394 A A -1.7611
1395 K A -2.8907
1396 R A -3.5834
1397 G A -2.9151
1398 D A -3.5088
1399 Q A -2.8472
1400 R A -3.2865
1401 C A -2.3498
1402 D A -2.9176
1403 R A -3.2723
1404 E A -2.9792
1405 C A 0.0000
1406 N A -1.4813
1407 S A -1.5554
1408 P A -1.2267
1409 G A -1.7642
1410 C A -1.6375
1411 G A -0.9696
1412 W A 0.0000
1413 D A 0.0000
1414 G A -2.0346
1415 G A 0.0000
1416 D A -1.9828
1417 C A 0.0000
1418 S A 0.0000
1419 L A 0.0000
1420 S A -0.7419
1421 V A 0.0000
1422 G A -0.8633
1423 D A -1.5159
1424 P A 0.0000
1425 W A 0.0000
1426 R A -2.2664
1427 Q A -2.1552
1428 C A -1.5219
1429 E A -1.9740
1430 A A -0.6156
1431 L A -0.2242
1432 Q A -0.7005
1433 C A 0.0000
1434 W A -0.6778
1435 R A -1.7935
1436 L A -1.3994
1437 F A 0.0000
1438 N A -2.0070
1439 N A -1.7833
1440 S A -1.9242
1441 R A -2.2639
1442 C A -0.7983
1443 D A -0.7686
1444 P A -0.4960
1445 A A -0.3538
1446 C A 0.0000
1447 S A -0.4436
1448 S A -0.6759
1449 P A -0.7201
1450 A A -1.0110
1451 C A 0.0000
1452 L A 0.0000
1453 Y A 0.0000
1454 D A 0.0000
1455 N A -0.9865
1456 F A 0.0000
1457 D A -1.6685
1458 C A -0.6453
1459 H A -0.9516
1460 A A -0.8820
1461 G A -1.8253
1462 G A -2.3231
1463 R A -3.5633
1464 E A -3.5073
1465 R A -2.8888
1466 T A -1.6922
1467 C A 0.0000
1468 N A -0.0089
1469 P A 0.4442
1470 V A 1.8096
1471 Y A 1.1483
1472 E A -0.5603
1473 K A -1.5388
1474 Y A -0.3223
1475 C A 0.0000
1476 A A 0.0000
1477 D A -2.4383
1478 H A -2.2544
1479 F A 0.0000
1480 A A -1.7376
1481 D A -2.8971
1482 G A -2.1900
1483 R A -2.6666
1484 C A -1.4431
1485 D A -1.5749
1486 Q A -1.7284
1487 G A -0.8803
1488 C A 0.0000
1489 N A -0.7506
1490 T A -0.5588
1491 E A 0.0000
1492 E A 0.0000
1493 C A 0.0000
1494 G A 0.0000
1495 W A -0.1858
1496 D A 0.0000
1497 G A 0.0000
1498 L A 0.0000
1499 D A -1.5422
1500 C A -0.8053
1501 A A 0.0000
1502 S A -1.2211
1503 E A -1.7978
1504 V A -0.5156
1505 P A -0.2229
1506 A A 0.4159
1507 L A 1.2538
1508 L A 0.3782
1509 A A 0.0000
1510 R A -1.9851
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 0.8387
1519 L A 0.1453
1520 P A -0.3336
1521 P A -0.9299
1522 E A -2.9103
1523 E A -2.9888
1524 L A 0.0000
1525 L A -1.5349
1526 R A -2.7122
1527 S A -1.7825
1528 S A -1.2539
1529 A A -1.4009
1530 D A -1.4608
1531 F A 0.0000
1532 L A 0.0000
1533 Q A 0.0000
1534 R A -0.8975
1535 L A 0.0000
1536 S A 0.0000
1537 A A -0.2031
1538 I A -0.0790
1539 L A 0.0000
1540 R A -0.1785
1541 T A 0.0000
1542 S A 0.0000
1543 L A 0.0000
1544 R A -0.7482
1545 F A -0.2010
1546 R A -0.1744
1547 L A 0.3174
1548 D A -0.5842
1549 A A -0.7012
1550 H A -1.4266
1551 G A -1.1662
1552 Q A -1.3152
1553 A A -0.1267
1554 M A 0.5087
1555 V A 0.6579
1556 F A 1.2836
1557 P A 0.3219
1558 Y A 0.1815
1559 H A -1.0507
1560 R A -2.2019
1561 P A -1.5850
1562 S A -1.3417
1563 P A -1.1923
1564 G A -1.2804
1565 S A -1.8765
1566 E A -2.7456
1567 P A -2.6324
1568 R A -3.5461
1569 A A -2.9091
1570 R A -3.6088
1571 R A -3.4088
1572 E A -2.7253
1573 L A -0.3560
1574 A A -0.2099
1575 P A -0.8002
1576 E A -0.8317
1577 V A 0.4129
1578 I A 0.1711
1579 G A 0.0000
1580 S A 0.0000
1581 V A 0.7534
1582 V A 0.0000
1583 M A 0.1515
1584 L A 0.0000
1585 E A -0.7306
1586 I A 0.0000
1587 D A 0.0000
1588 N A 0.0000
1589 R A 0.4291
1590 L A 0.0354
1591 C A 0.0000
1592 L A -0.2789
1593 Q A -1.1448
1594 S A -1.1525
1595 P A -1.2338
1596 E A -1.7244
1597 N A -1.7076
1598 D A -2.2822
1599 H A 0.0000
1600 C A 0.0000
1601 F A 0.0000
1602 P A -0.8355
1603 D A -1.6188
1604 A A 0.0000
1605 Q A -1.3039
1606 S A -0.8374
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 -0.9773
1616 A A 0.0000
1617 V A -1.4880
1618 E A -2.6990
1619 R A -2.3646
1620 L A -1.5125
1621 D A -2.1993
1622 F A -0.8375
1623 P A -0.5780
1624 Y A -0.1457
1625 P A 0.0944
1626 L A 0.0948
1627 R A -0.6013
1628 D A -0.5566
1629 V A 0.0000
1630 R A -1.3083
1631 G A -1.4488
1632 E A -1.8827
1633 P A -1.5854
1634 L A -0.9644
1635 E A -2.1208
1636 P A -1.6044
1637 P A -1.7497
1638 E A -2.2345
1639 P A -0.7214
1640 S A -0.0167
1641 V A 1.7387
1642 P A 1.8851
1643 L A 3.2172
1644 L A 3.5162
1645 P A 2.5279
1646 L A 3.5904
1647 L A 4.0948
1648 V A 4.0435
1649 A A 3.3459
1650 G A 3.2052
1651 A A 3.8027
1652 V A 4.7155
1653 L A 4.9331
1654 L A 5.1398
1655 L A 5.2906
1656 V A 5.3208
1657 I A 5.7522
1658 L A 5.7387
1659 V A 5.1070
1660 L A 4.8686
1661 G A 3.8788
1662 V A 3.6853
1663 M A 3.2494
1664 V A 2.4873
1665 A A 0.1327
1666 R A -2.4393
1667 R A -3.8667
1668 K A -4.6245
1669 R A -4.6749
1670 E A -3.9892
1671 H A -2.5376
1672 S A -0.9307
1673 T A 0.6276
1674 L A 2.3481
1675 W A 2.4425
1676 F A 2.4876
1677 P A 0.6171
1678 E A -1.0428
1679 G A -0.0529
1680 F A 1.7467
1681 S A 0.7607
1682 L A 0.7189
1683 H A -1.1542
1684 K A -2.1341
1685 D A -1.8503
1686 V A 0.1705
1687 A A -0.1829
1688 S A -0.6247
1689 G A -1.2964
1690 H A -2.4258
1691 K A -3.1785
1692 G A -3.1751
1693 R A -3.9691
1694 R A -4.1266
1695 E A -3.1522
1696 P A -1.0077
1697 V A 0.5399
1698 G A -0.6789
1699 Q A -1.7489
1700 D A -1.9725
1701 A A -0.4393
1702 L A 0.8972
1703 G A 0.0362
1704 M A 0.2656
1705 K A -1.5495
1706 N A -1.6335
1707 M A -0.3761
1708 A A -1.1281
1709 K A -2.2724
1710 G A -1.9298
1711 E A -2.2255
1712 S A -0.4476
1713 L A 1.3420
1714 M A 1.2821
1715 G A -0.0308
1716 E A -0.9067
1717 V A 0.8619
1718 A A 0.0624
1719 T A -0.2729
1720 D A -1.2053
1721 W A 0.3399
1722 M A 0.0996
1723 D A -1.6322
1724 T A -1.1731
1725 E A -2.2276
1726 C A -1.0327
1727 P A -1.6050
1728 E A -2.7519
1729 A A -1.9555
1730 K A -2.9423
1731 R A -2.4283
1732 L A -0.4380
1733 K A -1.7512
1734 V A -0.3676
1735 E A -2.3051
1736 E A -2.5560
1737 P A -1.4129
1738 G A -1.3600
1739 M A -0.1938
1740 G A -1.0391
1741 A A -1.2340
1742 E A -2.2787
1743 E A -2.2224
1744 A A -0.7160
1745 V A 0.5626
1746 D A -0.3342
1747 C A 0.3177
1748 R A -0.8533
1749 Q A -1.3034
1750 W A -0.1729
1751 T A -0.9733
1752 Q A -0.8728
1753 H A -0.2671
1754 H A 0.0000
1755 L A 1.0359
1756 V A 1.3180
1757 A A 0.0000
1758 A A 0.4933
1759 D A 0.2004
1760 I A 1.3659
1761 R A -0.4889
1762 V A 0.7211
1763 A A 0.2928
1764 P A 0.2305
1765 A A 0.8492
1766 M A 1.6818
1767 A A 1.3461
1768 L A 1.7473
1769 T A 0.4480
1770 P A -0.3605
1771 P A -1.1322
1772 Q A -2.2296
1773 G A -2.2637
1774 D A -3.0722
1775 A A -2.6339
1776 D A -2.8843
1777 A A -2.1393
1778 D A -2.8474
1779 G A -1.8992
1780 M A -1.0308
1781 D A -2.0648
1782 V A 0.0000
1783 N A -1.4829
1784 V A -1.2246
1785 R A -1.4532
1786 G A 0.0000
1787 P A -0.7261
1788 D A -1.6741
1789 G A 0.0000
1790 F A -0.7156
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 0.3439
1799 C A 0.3756
1800 G A -0.4753
1801 G A -0.3613
1802 A A 0.0990
1803 L A 0.5082
1804 E A -1.0816
1805 P A -0.4479
1806 M A 0.3026
1807 P A -1.1862
1808 T A -1.5935
1809 E A -3.3625
1810 E A -4.3443
1811 D A -4.6189
1812 E A -4.3541
1813 A A -3.4270
1814 D A -3.8220
1815 D A -3.3849
1816 T A -1.9171
1817 S A -1.1244
1818 A A 0.0000
1819 S A -1.2060
1820 I A -0.4454
1821 I A 0.0000
1822 S A -1.0155
1823 D A -1.7380
1824 L A 0.0000
1825 I A -0.6313
1826 C A -0.4261
1827 Q A -1.6468
1828 G A -1.4403
1829 A A 0.0000
1830 Q A -1.6093
1831 L A -1.0502
1832 G A -1.2833
1833 A A -1.2241
1834 R A -2.0379
1835 T A 0.0000
1836 D A -3.1479
1837 R A -3.0537
1838 T A -1.9483
1839 G A -2.0884
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 -0.4839
1849 Y A 0.3557
1850 A A -0.4216
1851 R A 0.0000
1852 A A -1.0923
1853 D A -1.7582
1854 A A 0.0000
1855 A A 0.0000
1856 K A -2.6691
1857 R A -2.1629
1858 L A 0.0000
1859 L A -1.9621
1860 D A -2.4988
1861 A A -1.3984
1862 G A -1.6768
1863 A A -1.8453
1864 D A -2.2101
1865 T A 0.0000
1866 N A -1.7720
1867 A A 0.0000
1868 Q A -1.9108
1869 D A -1.6926
1870 H A -2.0298
1871 S A -0.8180
1872 G A -1.4189
1873 R A -1.5830
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 -0.5311
1882 A A -0.8166
1883 D A -1.9575
1884 A A 0.0000
1885 Q A -2.0168
1886 G A -1.3519
1887 V A 0.0000
1888 F A 0.0000
1889 Q A -1.1045
1890 I A -1.1928
1891 L A 0.0000
1892 I A -1.5143
1893 R A -2.4280
1894 N A -2.2793
1895 R A -2.7548
1896 S A -2.1344
1897 T A 0.0000
1898 D A -1.9471
1899 L A -1.3428
1900 D A -1.3596
1901 A A -1.4382
1902 R A -2.0350
1903 M A -1.5019
1904 A A -1.1928
1905 D A -1.3880
1906 G A -1.5336
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 0.2442
1916 L A 0.4298
1917 A A -0.4468
1918 V A 0.0000
1919 E A -2.6743
1920 G A -2.0683
1921 M A 0.0000
1922 V A 0.0000
1923 E A -2.1919
1924 E A -1.5586
1925 L A 0.0000
1926 I A -1.1383
1927 A A -0.9328
1928 S A -1.1148
1929 H A -1.4854
1930 A A 0.0000
1931 D A -1.2274
1932 V A -0.9011
1933 N A -0.8105
1934 A A 0.0000
1935 V A -0.4088
1936 D A 0.0000
1937 E A -1.8111
1938 L A -0.4595
1939 G A -0.7457
1940 K A -0.6323
1941 S A 0.0000
1942 A A 0.0000
1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.2888
1946 A A 0.0000
1947 A A 0.0000
1948 A A -0.3563
1949 V A 0.4109
1950 N A -0.6694
1951 N A -0.5706
1952 V A -0.6844
1953 E A -1.9411
1954 A A 0.0000
1955 T A 0.0000
1956 L A -0.6325
1957 A A -1.4049
1958 L A 0.0000
1959 L A -1.3702
1960 K A -2.2549
1961 N A -2.4121
1962 G A -1.7061
1963 A A 0.0000
1964 N A -0.8657
1965 K A -0.7886
1966 D A -0.7449
1967 M A 0.0000
1968 Q A -1.5961
1969 D A 0.0000
1970 S A -1.5137
1971 K A -1.9618
1972 E A -2.6182
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 -2.3113
1982 E A -2.3151
1983 G A -1.6001
1984 S A 0.0000
1985 Y A -0.9706
1986 E A -1.3623
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.5969
1990 L A -0.8293
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.6197
1994 H A -0.5930
1995 F A 0.4215
1996 A A 0.0000
1997 N A -0.6943
1998 R A -1.1279
1999 E A -1.3855
2000 I A -1.1141
2001 T A -1.5309
2002 D A 0.0000
2003 H A -1.6346
2004 L A -0.1982
2005 D A -1.7089
2006 R A -1.4639
2007 L A -1.2310
2008 P A 0.0000
2009 R A -2.7695
2010 D A -2.4987
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -2.8579
2014 E A -3.1722
2015 R A -3.0953
2016 L A -0.9358
2017 H A -2.1585
2018 Q A -2.4031
2019 D A -2.0482
2020 I A 0.0000
2021 V A 0.0000
2022 R A -3.4384
2023 L A -2.3258
2024 L A 0.0000
2025 D A -2.9857
2026 Q A -2.5505
2027 P A -1.6308
2028 S A -1.4175
2029 G A -1.4341
2030 P A -1.5722
2031 R A -2.1385
2032 S A -1.5072
2033 P A -1.1896
2034 P A -1.1471
2035 G A -1.0423
2036 P A -0.9191
2037 H A -1.0846
2038 G A -0.4625
2039 L A 0.9818
2040 G A 0.6095
2041 P A 1.1832
2042 L A 2.4938
2043 L A 2.4295
2044 C A 1.6608
2045 P A 0.4729
2046 P A 0.0352
2047 G A 0.1991
2048 A A 1.0415
2049 F A 2.4297
2050 L A 2.3818
2051 P A 0.9091
2052 G A 0.3953
2053 L A 0.6256
2054 K A -1.1562
2055 A A -0.7194
2056 A A -0.8595
2057 Q A -1.5660
2058 S A -1.2577
2059 G A -1.3572
2060 S A -1.8483
2061 K A -2.8642
2062 K A -3.1413
2063 S A -2.8098
2064 R A -3.3559
2065 R A -3.0835
2066 P A -1.8075
2067 P A -1.6545
2068 G A -1.6612
2069 K A -1.9100
2070 A A -0.8355
2071 G A -0.2237
2072 L A 0.7362
2073 G A -0.1878
2074 P A -0.9316
2075 Q A -1.7536
2076 G A -1.7605
2077 P A -2.0441
2078 R A -2.9330
2079 G A -2.6743
2080 R A -3.3523
2081 G A -2.7386
2082 K A -2.7837
2083 K A -1.9172
2084 L A 0.6037
2085 T A 0.8798
2086 L A 1.9249
2087 A A 1.2262
2088 C A 0.8524
2089 P A 0.1889
2090 G A -0.1157
2091 P A 0.1017
2092 L A 0.8312
2093 A A -0.2695
2094 D A -1.3552
2095 S A -0.5258
2096 S A 0.2270
2097 V A 1.7570
2098 T A 1.3688
2099 L A 2.0106
2100 S A 0.8660
2101 P A 0.3456
2102 V A 1.0250
2103 D A -0.9193
2104 S A -0.5064
2105 L A 0.2066
2106 D A -1.6595
2107 S A -1.2412
2108 P A -1.4022
2109 R A -1.8809
2110 P A -0.4643
2111 F A 0.9239
2112 G A -0.0835
2113 G A -0.3867
2114 P A -0.4974
2115 P A -0.5526
2116 A A -0.3475
2117 S A -0.4740
2118 P A -0.7119
2119 G A -0.4597
2120 G A 0.3156
2121 F A 1.6816
2122 P A 0.8514
2123 L A 0.8572
2124 E A -1.2196
2125 G A -0.8717
2126 P A -0.2396
2127 Y A 1.1221
2128 A A 0.6879
2129 A A 0.3563
2130 A A 0.0799
2131 T A -0.0142
2132 A A 0.0131
2133 T A 0.4076
2134 A A 0.8414
2135 V A 2.0594
2136 S A 1.4295
2137 L A 1.6480
2138 A A 0.4775
2139 Q A -0.1585
2140 L A 0.6289
2141 G A -0.2449
2142 G A -0.5647
2143 P A -1.1731
2144 G A -1.5734
2145 R A -2.1842
2146 A A -0.9578
2147 G A -0.0712
2148 L A 0.6788
2149 G A -0.9872
2150 R A -2.4218
2151 Q A -2.4465
2152 P A -1.4742
2153 P A -0.9541
2154 G A -0.7264
2155 G A 0.0324
2156 C A 1.6515
2157 V A 2.7365
2158 L A 2.7927
2159 S A 1.6555
2160 L A 2.0041
2161 G A 1.4646
2162 L A 2.2523
2163 L A 1.7647
2164 N A 0.1085
2165 P A 0.4741
2166 V A 1.8020
2167 A A 1.7005
2168 V A 2.2972
2169 P A 1.2420
2170 L A 1.3468
2171 D A -0.5343
2172 W A 0.5327
2173 A A -0.2879
2174 R A -1.0972
2175 L A 0.6229
2176 P A -0.1594
2177 P A -0.3719
2178 P A -0.3087
2179 A A -0.4054
2180 P A -0.6016
2181 P A -0.7155
2182 G A -0.5779
2183 P A 0.0634
2184 S A 1.0786
2185 F A 2.8525
2186 L A 3.2712
2187 L A 3.0469
2188 P A 1.8968
2189 L A 1.8785
2190 A A 0.6786
2191 P A -0.2811
2192 G A -0.7908
2193 P A -0.6523
2194 Q A -0.4316
2195 L A 1.3185
2196 L A 1.2377
2197 N A -0.4976
2198 P A -0.6444
2199 G A -0.8327
2200 T A -0.2108
2201 P A 0.4013
2202 V A 1.3423
2203 S A 0.2045
2204 P A -0.9607
2205 Q A -2.6276
2206 E A -3.5263
2207 R A -3.2075
2208 P A -1.7815
2209 P A -0.6292
2210 P A 0.5824
2211 Y A 1.9084
2212 L A 2.5738
2213 A A 1.9997
2214 V A 1.8148
2215 P A 0.1181
2216 G A -1.0029
2217 H A -2.0331
2218 G A -2.2462
2219 E A -3.0499
2220 E A -2.3953
2221 Y A -0.1326
2222 P A -0.3428
2223 A A -0.0322
2224 A A -0.1433
2225 G A -0.6790
2226 A A -0.7249
2227 H A -1.2491
2228 S A -0.9413
2229 S A -0.9458
2230 P A -1.0566
2231 P A -1.5225
2232 K A -2.1791
2233 A A -1.0302
2234 R A -1.1516
2235 F A 1.3384
2236 L A 1.5484
2237 R A 0.0058
2238 V A 1.2115
2239 P A -0.4381
2240 S A -1.3215
2241 E A -2.0534
2242 H A -1.4898
2243 P A -0.2148
2244 Y A 1.3503
2245 L A 1.8130
2246 T A 0.8626
2247 P A -0.1032
2248 S A -0.8335
2249 P A -1.4435
2250 E A -2.5598
2251 S A -2.0167
2252 P A -1.8867
2253 E A -2.4776
2254 H A -1.4232
2255 W A 0.0660
2256 A A -0.1543
2257 S A -0.2348
2258 P A -0.4584
2259 S A -0.6672
2260 P A -0.5083
2261 P A -0.1755
2262 S A 0.1888
2263 L A 1.2403
2264 S A 0.2515
2265 D A 0.0155
2266 W A 0.4598
2267 S A -0.7485
2268 E A -1.8049
2269 S A -1.0808
2270 T A -0.9373
2271 P A -0.7450
2272 S A -0.4980
2273 P A -0.4131
2274 A A -0.1812
2275 T A -0.1776
2276 A A -0.1358
2277 T A -0.1561
2278 G A -0.2105
2279 A A 0.3356
2280 M A 0.9684
2281 A A 0.4769
2282 T A 0.1211
2283 T A -0.1316
2284 T A -0.1763
2285 G A -0.1987
2286 A A 0.5302
2287 L A 1.2332
2288 P A 0.1653
2289 A A -0.0997
2290 Q A -0.8001
2291 P A 0.0202
2292 L A 1.3957
2293 P A 1.1895
2294 L A 2.1527
2295 S A 1.4506
2296 V A 1.8424
2297 P A 0.5675
2298 S A 0.3508
2299 S A 0.5804
2300 L A 1.1547
2301 A A 0.1596
2302 Q A -1.0668
2303 A A -1.2147
2304 Q A -1.7264
2305 T A -0.8943
2306 Q A -0.8663
2307 L A 0.5283
2308 G A -0.4584
2309 P A -0.9586
2310 Q A -1.5610
2311 P A -1.4648
2312 E A -1.3446
2313 V A 0.3625
2314 T A -0.4288
2315 P A -1.2327
2316 K A -2.9081
2317 R A -3.0395
2318 Q A -1.1705
2319 V A 1.5361
2320 L A 2.2034
2321 A A 1.0904
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 -0.0498 7.0679 View CSV PDB
4.5 -0.1337 7.0679 View CSV PDB
5.0 -0.236 7.0679 View CSV PDB
5.5 -0.3422 7.0679 View CSV PDB
6.0 -0.4395 7.0679 View CSV PDB
6.5 -0.5201 7.0679 View CSV PDB
7.0 -0.5836 7.0679 View CSV PDB
7.5 -0.6353 7.0679 View CSV PDB
8.0 -0.6791 7.0679 View CSV PDB
8.5 -0.7136 7.0679 View CSV PDB
9.0 -0.7349 7.0679 View CSV PDB