Project name: R587C

Status: done

Started: 2026-05-08 07:39:15
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECCSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:29)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:29)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:27:43)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/18ac18bc59007d4/tmp/folded.pdb                (00:27:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:59:07)
Show buried residues

Minimal score value
-4.803
Maximal score value
5.7927
Average score
-0.7544
Total score value
-1751.0525

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 0.6997
2 G A -0.1416
3 P A -0.6522
4 G A -0.9654
5 A A -1.2965
6 R A -2.5981
7 G A -2.7714
8 R A -4.1014
9 R A -4.5400
10 R A -4.8030
11 R A -4.7782
12 R A -4.2967
13 R A -3.2937
14 P A -1.3389
15 M A -0.0202
16 S A -0.2160
17 P A -0.3602
18 P A -0.5068
19 P A -0.6922
20 P A -0.6934
21 P A -0.3804
22 P A -0.3311
23 P A -0.1017
24 V A 0.8826
25 R A -0.6263
26 A A 0.5475
27 L A 1.8533
28 P A 1.7421
29 L A 3.4157
30 L A 3.9561
31 L A 4.0584
32 L A 3.7492
33 L A 2.8811
34 A A 1.2055
35 G A 0.0828
36 P A -0.3999
37 G A -0.6722
38 A A -0.2902
39 A A -0.1516
40 A A -0.3483
41 P A -1.0318
42 P A -0.8543
43 C A -0.7574
44 L A 0.4093
45 D A -0.7238
46 G A -0.5907
47 S A -0.5073
48 P A -0.8482
49 C A -1.0967
50 A A -1.3459
51 N A -1.7031
52 G A -1.2943
53 G A -1.2188
54 R A -1.6663
55 C A -0.4625
56 T A -0.8302
57 Q A -1.9123
58 L A -1.2628
59 P A -1.3806
60 S A -1.8502
61 R A -3.1019
62 E A -2.8491
63 A A 0.0000
64 A A -1.0195
65 C A 0.0000
66 L A 0.5555
67 C A -0.1351
68 P A -0.2412
69 P A -0.4669
70 G A -1.0377
71 W A -0.8951
72 V A -0.8300
73 G A -0.9233
74 E A -1.9210
75 R A -1.7948
76 C A 0.0000
77 Q A -1.7224
78 L A -1.4922
79 E A -2.3458
80 D A -1.6514
81 P A -1.4044
82 C A -0.9874
83 H A -1.6179
84 S A -1.1483
85 G A -0.9054
86 P A -0.6802
87 C A -0.9237
88 A A -0.6604
89 G A -1.1143
90 R A -1.7556
91 G A -1.1508
92 V A 0.3857
93 C A -0.2925
94 Q A -0.7434
95 S A -0.5188
96 S A -0.1080
97 V A 0.6258
98 V A 1.4873
99 A A 0.5915
100 G A -0.2320
101 T A -0.1842
102 A A 0.0000
103 R A -1.4106
104 F A -0.7195
105 S A -0.9177
106 C A -1.0347
107 R A -1.7593
108 C A -1.1467
109 P A -1.2413
110 R A -2.0406
111 G A -0.4879
112 F A -0.2893
113 R A -0.6416
114 G A -0.6560
115 P A -0.9182
116 D A -1.1230
117 C A 0.0000
118 S A -0.3221
119 L A 0.5782
120 P A -0.1023
121 D A -0.4157
122 P A -0.1453
123 C A 0.0350
124 L A 0.1547
125 S A -0.0186
126 S A -0.2572
127 P A -0.4405
128 C A -1.0807
129 A A -1.5398
130 H A -1.6234
131 G A -0.9405
132 A A -1.4207
133 R A -1.7605
134 C A -0.4577
135 S A -0.2019
136 V A -0.0246
137 G A -0.6454
138 P A -1.1145
139 D A -1.9871
140 G A -1.4576
141 R A -1.9658
142 F A -0.6759
143 L A -0.0255
144 C A -0.7421
145 S A -0.9028
146 C A -1.2504
147 P A -0.7713
148 P A -0.5931
149 G A -1.0710
150 Y A -1.8353
151 Q A -2.3824
152 G A -2.4635
153 R A -2.3967
154 S A -1.8855
155 C A 0.0000
156 R A -2.9094
157 S A -2.3803
158 D A -2.1782
159 V A -1.6024
160 D A -1.9390
161 E A -2.1322
162 C A -1.8347
163 R A -2.1989
164 V A -0.3045
165 G A -1.3735
166 E A -2.3861
167 P A -1.5157
168 C A -1.8678
169 R A -2.6845
170 H A -2.0779
171 G A -1.6445
172 G A -1.6665
173 T A -1.2202
174 C A -1.4880
175 L A -0.6442
176 N A -1.4609
177 T A -0.9789
178 P A -1.1326
179 G A -1.0960
180 S A -1.0543
181 F A -1.1352
182 R A -1.8903
183 C A -1.5637
184 Q A -1.4992
185 C A -1.2135
186 P A -0.6141
187 A A 0.1768
188 G A 0.1237
189 Y A -0.5773
190 T A -0.7429
191 G A -0.9377
192 P A -1.0802
193 L A -1.3558
194 C A 0.0000
195 E A -1.8513
196 N A -1.6171
197 P A -0.5738
198 A A 0.3664
199 V A 1.1340
200 P A -0.0431
201 C A -0.2136
202 A A 0.3062
203 P A 0.0310
204 S A -0.7323
205 P A -0.9749
206 C A 0.0000
207 R A -2.4959
208 N A -1.8039
209 G A -1.1551
210 G A -1.4429
211 T A -1.1809
212 C A -1.8461
213 R A -2.9375
214 Q A -2.4258
215 S A -1.8112
216 G A -1.4768
217 D A -1.2029
218 L A 0.5724
219 T A -0.6236
220 Y A -1.7256
221 D A -2.8358
222 C A -2.1981
223 A A -0.8883
224 C A -0.7272
225 L A 0.0771
226 P A -0.0109
227 G A -0.4840
228 F A -1.0523
229 E A -1.9904
230 G A -1.7521
231 Q A -2.2533
232 N A -2.0683
233 C A 0.0000
234 E A -1.6444
235 V A -0.8819
236 N A -1.0842
237 V A -0.8263
238 D A -1.9907
239 D A -2.0877
240 C A -1.6846
241 P A -1.4059
242 G A -1.3949
243 H A -1.6344
244 R A -2.0083
245 C A 0.0000
246 L A 0.0430
247 N A -0.7034
248 G A -0.6329
249 G A 0.0000
250 T A -0.5780
251 C A -0.8302
252 V A -0.2729
253 D A -0.9956
254 G A -0.3021
255 V A 0.5740
256 N A -0.9093
257 T A -0.7228
258 Y A -1.2091
259 N A -1.7545
260 C A -1.2753
261 Q A -1.4209
262 C A -1.0658
263 P A -0.6830
264 P A -0.7597
265 E A -1.2055
266 W A -1.1180
267 T A -1.3631
268 G A -1.5259
269 Q A -1.9254
270 F A -1.3496
271 C A 0.0000
272 T A -1.2255
273 E A -2.0465
274 D A -1.2384
275 V A -0.7561
276 D A -0.6859
277 E A 0.0000
278 C A -0.5853
279 Q A -1.2100
280 L A -0.1222
281 Q A -1.3624
282 P A -1.4284
283 N A -2.1072
284 A A -1.3543
285 C A 0.0000
286 H A -1.9691
287 N A -1.5109
288 G A -0.8175
289 G A 0.0272
290 T A 0.8166
291 C A 0.5248
292 F A 1.6368
293 N A 0.0345
294 T A 0.4330
295 L A 0.7468
296 G A -0.4532
297 G A -0.1794
298 H A -0.1576
299 S A 0.1309
300 C A 0.7396
301 V A 2.0327
302 C A 0.6545
303 V A 1.1931
304 N A -0.0288
305 G A 0.0000
306 W A -0.2600
307 T A -0.7763
308 G A -1.2989
309 E A -2.0401
310 S A -1.5438
311 C A 0.0000
312 S A -1.6263
313 Q A -1.7784
314 N A -1.2594
315 I A -0.7605
316 D A -2.0117
317 D A -1.0598
318 C A -0.5078
319 A A -0.2999
320 T A 0.0186
321 A A 0.8258
322 V A 1.9949
323 C A 1.6913
324 F A 1.1226
325 H A -0.5445
326 G A -0.3944
327 A A 0.2769
328 T A 0.2465
329 C A 0.4209
330 H A -0.8681
331 D A -1.3363
332 R A -1.3942
333 V A 0.1742
334 A A -0.1600
335 S A -0.4707
336 F A 0.2046
337 Y A 1.0135
338 C A 0.0000
339 A A 0.6177
340 C A 0.6157
341 P A 0.2163
342 M A 0.8941
343 G A 0.1077
344 K A -0.7767
345 T A -0.3647
346 G A 0.7047
347 L A 2.2545
348 L A 1.7425
349 C A 0.0000
350 H A 0.0641
351 L A -0.9765
352 D A -2.1455
353 D A -1.3594
354 A A -1.1146
355 C A -0.2936
356 V A 0.7067
357 S A -0.0793
358 N A -0.9181
359 P A -0.9289
360 C A -1.1700
361 H A -2.1540
362 E A -2.8706
363 D A -2.1587
364 A A -0.8053
365 I A 1.0502
366 C A -0.0082
367 D A -0.9622
368 T A 0.0000
369 N A -0.6846
370 P A -0.1677
371 V A 1.0329
372 N A -1.0278
373 G A -1.7181
374 R A -2.1998
375 A A -0.8521
376 I A 0.5074
377 C A 0.0366
378 T A 0.4911
379 C A -0.2349
380 P A -0.3631
381 P A -0.5829
382 G A -0.7364
383 F A -1.3921
384 T A -1.2106
385 G A -1.3976
386 G A -0.8470
387 A A -1.1890
388 C A 0.0000
389 D A -2.8064
390 Q A -2.5646
391 D A -1.9560
392 V A -0.9472
393 D A -1.0221
394 E A -0.1707
395 C A -0.0620
396 S A 0.1589
397 I A 1.2575
398 G A 0.3909
399 A A -0.2316
400 N A -1.2725
401 P A -0.5616
402 C A 0.0000
403 E A -2.1630
404 H A -1.0971
405 L A -0.0595
406 G A 0.0000
407 R A -1.9255
408 C A 0.0000
409 V A 0.2313
410 N A -0.3889
411 T A -0.4169
412 Q A -1.6387
413 G A -1.2683
414 S A -0.2221
415 F A 0.3778
416 L A 1.1053
417 C A -0.7226
418 Q A -1.4124
419 C A -1.5280
420 G A -1.2186
421 R A -1.7294
422 G A -1.1546
423 Y A -1.0881
424 T A -1.3526
425 G A -1.3046
426 P A -0.9199
427 R A -1.9335
428 C A 0.0000
429 E A -2.4923
430 T A -1.6389
431 D A -1.6196
432 V A -0.7175
433 N A -0.7075
434 E A -0.9100
435 C A -0.1378
436 L A 0.9565
437 S A 0.0736
438 G A -0.4860
439 P A -0.3949
440 C A -0.8145
441 R A -2.2223
442 N A -2.1855
443 Q A -1.8243
444 A A -0.4474
445 T A 0.2683
446 C A 0.4200
447 L A 0.1948
448 D A -0.8763
449 R A -1.5215
450 I A -0.0706
451 G A 0.0000
452 Q A -1.5203
453 F A -0.4635
454 T A 0.1722
455 C A 0.8891
456 I A 1.9227
457 C A 0.8771
458 M A 0.3387
459 A A 0.4120
460 G A -0.6507
461 F A -0.2285
462 T A 0.1387
463 G A -0.0223
464 T A 0.2483
465 Y A 0.2152
466 C A 0.0000
467 E A -1.1473
468 V A -0.2800
469 D A -1.8051
470 I A -1.4828
471 D A -3.1808
472 E A -3.0442
473 C A -2.2336
474 Q A -2.2468
475 S A -1.3426
476 S A -0.5186
477 P A -0.1619
478 C A 0.2926
479 V A 0.5659
480 N A -0.7186
481 G A -0.2436
482 G A 0.3736
483 V A 1.2330
484 C A -0.4220
485 K A -2.3847
486 D A -3.6754
487 R A -2.9327
488 V A -0.5692
489 N A -1.5104
490 G A -1.5380
491 F A -1.6587
492 S A -0.8170
493 C A 0.1951
494 T A 0.3692
495 C A 0.3560
496 P A -0.3002
497 S A -0.8409
498 G A -1.6528
499 F A -0.8519
500 S A -0.4963
501 G A -0.4661
502 S A -0.2339
503 T A 0.0573
504 C A 0.0000
505 Q A -0.9275
506 L A -0.2161
507 D A -2.3515
508 V A -1.5443
509 D A -2.7687
510 E A -2.9283
511 C A -1.8062
512 A A -0.9996
513 S A -0.7639
514 T A -1.0467
515 P A -0.9151
516 C A 0.0000
517 R A -3.4687
518 N A -2.9816
519 G A -2.4047
520 A A -2.9912
521 K A -3.0238
522 C A -2.4115
523 V A -2.0928
524 D A -3.3893
525 Q A -3.0970
526 P A -2.5921
527 D A -2.9388
528 G A -2.2855
529 Y A -2.2721
530 E A -2.6251
531 C A -2.4582
532 R A -3.1553
533 C A -3.0391
534 A A -2.0411
535 E A -1.9054
536 G A -1.1788
537 F A -2.5999
538 E A -3.2510
539 G A -2.3531
540 T A -1.6409
541 L A -1.9614
542 C A 0.0000
543 D A -3.8292
544 R A -3.8860
545 N A -2.5554
546 V A -1.6328
547 D A -2.2536
548 D A -1.6935
549 C A -1.9056
550 S A -1.7166
551 P A -1.5794
552 D A -2.7194
553 P A -1.6960
554 C A -1.9982
555 H A -2.5232
556 H A -2.0699
557 G A -1.8092
558 R A -2.2350
559 C A 0.0000
560 V A -0.2419
561 D A -1.4744
562 G A 0.0496
563 I A 0.8798
564 A A -0.1646
565 S A -0.0688
566 F A -0.3185
567 S A -0.3642
568 C A -0.9407
569 A A -0.3754
570 C A -0.9934
571 A A -0.9013
572 P A -0.7119
573 G A -0.9852
574 Y A -1.2254
575 T A -1.0689
576 G A -1.2857
577 T A -0.9738
578 R A -2.1893
579 C A 0.0000
580 E A -2.7320
581 S A -1.8915
582 Q A -1.7342
583 V A -1.2186
584 D A -1.8611
585 E A -1.6703
586 C A -1.2308
587 C A -0.4914
588 S A -0.7244
589 Q A -1.8916
590 P A -1.1697
591 C A 0.0000
592 R A -2.7118
593 H A -1.5537
594 G A -2.0454
595 G A 0.0000
596 K A -2.7346
597 C A 0.0000
598 L A -0.9811
599 D A -1.5675
600 L A -0.2634
601 V A -0.0294
602 D A -2.0474
603 K A -1.6777
604 Y A -0.6359
605 L A 0.4206
606 C A -0.9462
607 R A -2.0293
608 C A -1.2247
609 P A -1.1734
610 S A -0.4406
611 G A 0.0761
612 T A -0.1111
613 T A 0.2319
614 G A 0.3223
615 V A 1.3988
616 N A -0.4660
617 C A 0.0000
618 E A -0.3943
619 V A 0.7006
620 N A 0.0740
621 I A 0.6344
622 D A -1.8776
623 D A -2.5261
624 C A 0.0000
625 A A -1.0563
626 S A -1.2306
627 N A -1.4958
628 P A -0.3907
629 C A 0.1530
630 T A 0.4229
631 F A 1.0819
632 G A 0.6793
633 V A 1.2581
634 C A -0.3743
635 R A -2.4532
636 D A -2.4965
637 G A -1.7116
638 I A -0.4637
639 N A -1.7539
640 R A -2.7873
641 Y A -2.1665
642 D A -2.0923
643 C A -0.2140
644 V A 0.6316
645 C A 0.3736
646 Q A -1.0754
647 P A -1.3687
648 G A -1.8531
649 F A -0.7369
650 T A 0.1024
651 G A 0.1902
652 P A -0.1515
653 L A 0.6204
654 C A 0.0000
655 N A -0.4415
656 V A 0.3131
657 E A -1.7954
658 I A -1.1617
659 N A -2.0021
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1953 E A -2.0630
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1975 P A 0.0000
1976 L A 0.0000
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1983 G A -0.3517
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1990 L A -0.9468
1991 L A 0.0000
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1993 D A -1.5131
1994 H A -0.5837
1995 F A 0.4327
1996 A A 0.0000
1997 N A -1.1219
1998 R A -1.5630
1999 E A -2.1589
2000 I A -1.4197
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2002 D A 0.0000
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2011 V A 0.0000
2012 A A 0.0000
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2014 E A -1.3482
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2016 L A 0.1142
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2018 Q A -2.1049
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2246 T A 0.8105
2247 P A -0.0882
2248 S A -0.8067
2249 P A -1.3550
2250 E A -2.2000
2251 S A -1.8285
2252 P A -1.9009
2253 E A -2.2274
2254 H A -1.3448
2255 W A 0.2443
2256 A A 0.2237
2257 S A -0.0990
2258 P A -0.5207
2259 S A -0.5820
2260 P A -0.6038
2261 P A -0.1998
2262 S A 0.4421
2263 L A 0.8732
2264 S A -0.2505
2265 D A -1.0287
2266 W A -0.2615
2267 S A -0.9537
2268 E A -1.7958
2269 S A -1.3633
2270 T A -0.7592
2271 P A -0.5084
2272 S A -0.4905
2273 P A -0.4087
2274 A A -0.1437
2275 T A -0.1250
2276 A A -0.1058
2277 T A -0.3131
2278 G A -0.2423
2279 A A 0.4107
2280 M A 0.9985
2281 A A 0.5444
2282 T A 0.1151
2283 T A -0.2340
2284 T A -0.3737
2285 G A -0.1567
2286 A A 0.5933
2287 L A 1.3599
2288 P A 0.3003
2289 A A -0.3936
2290 Q A -1.0609
2291 P A -0.1638
2292 L A 1.3883
2293 P A 1.2091
2294 L A 2.0584
2295 S A 1.5329
2296 V A 1.7858
2297 P A 0.5925
2298 S A 0.3117
2299 S A 0.3884
2300 L A 1.1052
2301 A A 0.0160
2302 Q A -1.0886
2303 A A -1.1226
2304 Q A -1.7470
2305 T A -1.0267
2306 Q A -0.8183
2307 L A 0.6339
2308 G A -0.3658
2309 P A -0.7815
2310 Q A -1.7980
2311 P A -1.3971
2312 E A -1.3553
2313 V A 0.4208
2314 T A -0.1348
2315 P A -1.1935
2316 K A -2.7768
2317 R A -2.9116
2318 Q A -1.2298
2319 V A 1.4937
2320 L A 2.1917
2321 A A 1.1283
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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 -0.075 7.1361 View CSV PDB
4.5 -0.1589 7.1361 View CSV PDB
5.0 -0.2609 7.1361 View CSV PDB
5.5 -0.3666 7.1361 View CSV PDB
6.0 -0.4632 7.1361 View CSV PDB
6.5 -0.5429 7.1361 View CSV PDB
7.0 -0.6053 7.1361 View CSV PDB
7.5 -0.6558 7.1361 View CSV PDB
8.0 -0.6982 7.1361 View CSV PDB
8.5 -0.7311 7.1361 View CSV PDB
9.0 -0.751 7.1361 View CSV PDB