Project name: R427C

Status: done

Started: 2026-05-09 14:26:13
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPCCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations Yes
alphaCutter usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:30)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:30)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:30:32)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/2fb00968c4f6995/tmp/folded.pdb                (00:30:32)
[INFO]       Main:     Simulation completed successfully.                                          (01:18:06)
Show buried residues

Minimal score value
-4.6024
Maximal score value
5.2264
Average score
-0.7561
Total score value
-1754.9294

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 0.6806
2 G A -0.0946
3 P A -0.6658
4 G A -1.0775
5 A A -1.4876
6 R A -2.8374
7 G A -2.6753
8 R A -3.9309
9 R A -4.4490
10 R A -4.5009
11 R A -4.5075
12 R A -4.0095
13 R A -3.0574
14 P A -1.3080
15 M A 0.0838
16 S A -0.1838
17 P A -0.3600
18 P A -0.5191
19 P A -0.6802
20 P A -0.6856
21 P A -0.4227
22 P A -0.3567
23 P A -0.0837
24 V A 0.8628
25 R A -0.6703
26 A A 0.4991
27 L A 1.7912
28 P A 1.6947
29 L A 3.2427
30 L A 3.8296
31 L A 3.9272
32 L A 3.6659
33 L A 2.8312
34 A A 1.1469
35 G A -0.0145
36 P A -0.4359
37 G A -0.6614
38 A A -0.2847
39 A A -0.1368
40 A A -0.0756
41 P A -0.6527
42 P A -0.9062
43 C A -0.6534
44 L A 0.4619
45 D A -1.3107
46 G A -1.0483
47 S A -1.2476
48 P A -1.3548
49 C A 0.0000
50 A A -1.6311
51 N A -1.7968
52 G A -1.3635
53 G A 0.0000
54 R A -1.7213
55 C A 0.0000
56 T A -0.5288
57 Q A -1.3620
58 L A -0.8451
59 P A -1.0723
60 S A -1.6263
61 R A -2.8480
62 E A -2.7479
63 A A -1.8983
64 A A -1.2102
65 C A -0.9697
66 L A 0.4960
67 C A -0.4644
68 P A -0.2046
69 P A -0.4645
70 G A -1.0441
71 W A -1.1919
72 V A -1.0920
73 G A -1.2312
74 E A -2.3463
75 R A -2.7499
76 C A 0.0000
77 Q A -2.0120
78 L A -1.6374
79 E A -2.3206
80 D A -1.6753
81 P A -1.4113
82 C A -1.0345
83 H A -1.6240
84 S A -1.1589
85 G A -0.8645
86 P A -0.5627
87 C A -0.7589
88 A A -0.5143
89 G A -0.9934
90 R A -1.6588
91 G A -1.0605
92 V A 0.3661
93 C A -0.3460
94 Q A -1.0659
95 S A -0.6513
96 S A -0.1680
97 V A 0.6550
98 V A 1.5541
99 A A 0.6170
100 G A -0.2123
101 T A -0.1558
102 A A 0.0000
103 R A -1.4289
104 F A -0.8318
105 S A -0.8880
106 C A -0.9458
107 R A -1.7334
108 C A -1.0829
109 P A -1.2338
110 R A -1.7403
111 G A -0.3511
112 F A -0.2512
113 R A -0.6661
114 G A -0.5564
115 P A -0.7080
116 D A -0.6890
117 C A 0.0000
118 S A -0.2613
119 L A 0.4094
120 P A -0.0799
121 D A -0.1170
122 P A 0.1293
123 C A 0.3097
124 L A 0.7836
125 S A 0.2860
126 S A -0.0959
127 P A -0.3220
128 C A -1.1037
129 A A -1.6079
130 H A -1.7220
131 G A -1.3086
132 A A 0.0000
133 R A -1.8469
134 C A -0.1969
135 S A -0.0820
136 V A 0.2417
137 G A -0.5108
138 P A -1.0458
139 D A -1.9101
140 G A -1.4057
141 R A -1.8637
142 F A -0.4076
143 L A 0.0458
144 C A -0.6950
145 S A -0.9001
146 C A -1.2444
147 P A -0.8078
148 P A -0.4816
149 G A -0.6724
150 Y A -1.6604
151 Q A -2.2868
152 G A -2.2488
153 R A -1.9936
154 S A -1.7190
155 C A 0.0000
156 R A -2.8392
157 S A -2.1703
158 D A -1.8075
159 V A -0.9160
160 D A -0.8106
161 E A -0.8388
162 C A -1.1243
163 R A -1.5664
164 V A 0.3322
165 G A -0.8866
166 E A -2.3199
167 P A -1.6781
168 C A 0.0000
169 R A -3.0160
170 H A -2.1237
171 G A -1.7292
172 G A -1.7349
173 T A -1.2727
174 C A -1.3365
175 L A -0.3769
176 N A -0.9809
177 T A -0.6675
178 P A -0.7785
179 G A -0.9584
180 S A -0.6334
181 F A -0.6996
182 R A -1.7516
183 C A -1.6054
184 Q A -1.5185
185 C A -1.2439
186 P A -0.6387
187 A A 0.0864
188 G A 0.1935
189 Y A -0.4995
190 T A -0.6690
191 G A -0.9110
192 P A -1.0739
193 L A -1.3542
194 C A 0.0000
195 E A -1.6876
196 N A -1.4935
197 P A -0.4069
198 A A 0.5658
199 V A 1.4561
200 P A 0.1466
201 C A -0.1937
202 A A 0.3726
203 P A 0.0897
204 S A -0.6469
205 P A -1.0992
206 C A -2.0466
207 R A -2.7432
208 N A -1.8415
209 G A -1.2720
210 G A -1.4579
211 T A -1.1570
212 C A -1.8129
213 R A -2.9195
214 Q A -2.3549
215 S A -1.7379
216 G A -1.3616
217 D A -1.0419
218 L A 0.8421
219 T A -0.4477
220 Y A -1.5600
221 D A -2.7990
222 C A -2.1943
223 A A -0.8527
224 C A -0.7111
225 L A 0.2316
226 P A 0.0399
227 G A -0.3311
228 F A -0.9184
229 E A -1.9411
230 G A -1.7097
231 Q A -2.2584
232 N A -2.1589
233 C A 0.0000
234 E A -1.7884
235 V A -0.6178
236 N A -0.5701
237 V A -0.7597
238 D A -1.5949
239 D A -1.6100
240 C A -1.5211
241 P A -1.3998
242 G A -1.3521
243 H A -1.6971
244 R A -2.1094
245 C A -1.1118
246 L A -0.2123
247 N A -0.8531
248 G A -0.7040
249 G A -0.8913
250 T A -0.6449
251 C A -0.7961
252 V A -0.2220
253 D A -0.8576
254 G A -0.2117
255 V A 0.6911
256 N A -0.7665
257 T A -0.6463
258 Y A -1.1979
259 N A -1.7039
260 C A -1.3081
261 Q A -1.3059
262 C A -1.1642
263 P A -0.6769
264 P A -0.7176
265 E A -1.1326
266 W A -1.1297
267 T A -1.4952
268 G A -1.5261
269 Q A -1.9262
270 F A -1.4209
271 C A 0.0000
272 T A -1.2848
273 E A -2.0918
274 D A -1.2626
275 V A -0.7667
276 D A -0.7545
277 E A 0.0000
278 C A -0.6515
279 Q A -0.9888
280 L A 0.0882
281 Q A -1.3824
282 P A -1.4295
283 N A -2.1004
284 A A -1.4047
285 C A 0.0000
286 H A -1.8843
287 N A -1.4433
288 G A -0.9102
289 G A -0.2922
290 T A 0.4183
291 C A 0.2203
292 F A 1.3612
293 N A -0.0127
294 T A 0.4051
295 L A 0.7579
296 G A -0.3775
297 G A -0.1603
298 H A -0.3569
299 S A -0.1211
300 C A 0.2017
301 V A 0.6025
302 C A -0.1433
303 V A 0.5708
304 N A -0.0082
305 G A 0.0000
306 W A -0.6797
307 T A -1.1672
308 G A -1.4325
309 E A -2.1274
310 S A -1.5887
311 C A 0.0000
312 S A -1.5622
313 Q A -1.9557
314 N A -1.4325
315 I A -1.0357
316 D A -2.0276
317 D A 0.0000
318 C A -0.3971
319 A A -0.2924
320 T A 0.1598
321 A A 0.0000
322 V A 1.5959
323 C A 0.9511
324 F A 0.5303
325 H A -0.9328
326 G A -0.6036
327 A A -0.0455
328 T A 0.0510
329 C A 0.0412
330 H A -0.9655
331 D A -1.3315
332 R A -0.9271
333 V A 0.2136
334 A A -0.0032
335 S A 0.0000
336 F A 0.0000
337 Y A 0.3466
338 C A 0.0000
339 A A -0.0627
340 C A -0.1480
341 P A -0.4735
342 M A -0.7788
343 G A -0.7998
344 K A -1.3283
345 T A -0.9617
346 G A -0.4000
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A -0.4155
351 L A -1.3068
352 D A -2.4377
353 D A -1.8178
354 A A -1.5253
355 C A 0.0000
356 V A -0.4868
357 S A -0.6033
358 N A -1.6343
359 P A -1.2362
360 C A -1.5117
361 H A -2.3960
362 E A -3.2218
363 D A -2.6513
364 A A -1.5151
365 I A -0.4662
366 C A -0.8854
367 D A -1.0769
368 T A 0.0000
369 N A 0.0000
370 P A -0.7245
371 V A -0.2856
372 N A -1.0061
373 G A -1.7149
374 R A -2.2296
375 A A -1.0873
376 I A -0.0578
377 C A -0.5786
378 T A -0.3777
379 C A 0.0000
380 P A 0.0000
381 P A -0.7005
382 G A -0.9192
383 F A -1.4674
384 T A -1.3729
385 G A -1.4371
386 G A -1.3422
387 A A -1.4120
388 C A 0.0000
389 D A -2.8883
390 Q A -2.5248
391 D A -1.9633
392 V A -0.8314
393 D A -0.8618
394 E A -0.1329
395 C A 0.0000
396 S A 0.3164
397 I A 1.2186
398 G A 0.5718
399 A A -0.1593
400 N A -0.6412
401 P A -0.5390
402 C A 0.0000
403 E A -2.2128
404 H A -1.1487
405 L A -0.5339
406 G A 0.0000
407 R A -1.1232
408 C A -0.1643
409 V A 0.5397
410 N A -0.1584
411 T A -0.3539
412 Q A -1.6828
413 G A -1.4167
414 S A -0.2037
415 F A 0.6245
416 L A 1.1669
417 C A -0.1366
418 Q A -0.8461
419 C A -1.2247
420 G A -1.3345
421 R A -1.8033
422 G A -0.9082
423 Y A -0.8687
424 T A -0.9877
425 G A -0.7795
426 P A -0.4107
427 C A -0.7612
428 C A 0.0000
429 E A -1.7344
430 T A -0.9554
431 D A -0.7865
432 V A -0.2843
433 N A -0.4230
434 E A -0.4940
435 C A 0.0995
436 L A 0.9843
437 S A 0.0923
438 G A -0.4777
439 P A -0.3880
440 C A -0.8496
441 R A -2.1996
442 N A -1.9102
443 Q A -1.8112
444 A A -0.5127
445 T A 0.1727
446 C A 0.3943
447 L A 0.3776
448 D A -0.3819
449 R A -0.6043
450 I A -0.0483
451 G A 0.0000
452 Q A -0.9929
453 F A -0.0319
454 T A 0.4449
455 C A 0.7503
456 I A 1.6491
457 C A 0.7523
458 M A 0.2421
459 A A 0.3797
460 G A 0.0000
461 F A -0.2332
462 T A 0.1488
463 G A -0.0184
464 T A 0.2285
465 Y A 0.2004
466 C A 0.0000
467 E A -1.1178
468 V A -0.3036
469 D A -1.7329
470 I A -1.2401
471 D A -2.9970
472 E A -2.4532
473 C A -1.9582
474 Q A -2.0711
475 S A -1.2155
476 S A -0.5618
477 P A 0.0440
478 C A 0.3030
479 V A 0.5580
480 N A -0.7597
481 G A -0.2665
482 G A 0.3654
483 V A 1.2310
484 C A -0.3053
485 K A -2.2636
486 D A -3.4953
487 R A -2.8001
488 V A -0.5364
489 N A -1.3675
490 G A -1.3345
491 F A -1.4859
492 S A -0.7378
493 C A 0.2040
494 T A 0.3726
495 C A 0.3631
496 P A -0.3167
497 S A -0.9168
498 G A -1.7907
499 F A -0.9822
500 S A -0.5772
501 G A -0.4888
502 S A -0.2146
503 T A 0.0685
504 C A 0.0000
505 Q A -0.9669
506 L A -0.2985
507 D A -2.3783
508 V A -1.6345
509 D A -2.5965
510 E A -2.2435
511 C A -1.4986
512 A A -0.8360
513 S A -0.5708
514 T A -0.8264
515 P A -0.7556
516 C A 0.0000
517 R A -3.2127
518 N A -3.0932
519 G A -2.3170
520 A A -2.9169
521 K A -3.0307
522 C A -2.3188
523 V A -2.0635
524 D A -3.2584
525 Q A -2.6884
526 P A -2.3739
527 D A -2.7617
528 G A -2.0433
529 Y A -2.0386
530 E A -2.5768
531 C A -2.4971
532 R A -3.1534
533 C A -2.9782
534 A A -2.0039
535 E A -1.9142
536 G A -1.1571
537 F A -2.5056
538 E A -3.2959
539 G A -2.2049
540 T A -1.5492
541 L A -1.8792
542 C A 0.0000
543 D A -3.6449
544 R A -3.7925
545 N A -2.4375
546 V A -1.5976
547 D A -2.2831
548 D A -1.4543
549 C A -1.7325
550 S A -1.6186
551 P A -1.5914
552 D A -2.7136
553 P A -1.7277
554 C A 0.0000
555 H A -2.5202
556 H A -1.9859
557 G A -1.8540
558 R A -2.2755
559 C A -1.3249
560 V A -0.2969
561 D A -0.8976
562 G A 0.3408
563 I A 1.1908
564 A A 0.0223
565 S A 0.1628
566 F A 0.0473
567 S A -0.2581
568 C A -0.9708
569 A A -0.4946
570 C A -0.9299
571 A A -0.8181
572 P A -0.4584
573 G A -0.9726
574 Y A -1.0996
575 T A -1.0320
576 G A -1.2636
577 T A -1.0033
578 R A -2.3075
579 C A 0.0000
580 E A -2.5712
581 S A -1.8297
582 Q A -1.6559
583 V A -1.7162
584 D A -2.9151
585 E A -2.9259
586 C A -2.5765
587 R A -3.1714
588 S A -2.0857
589 Q A -2.7654
590 P A -1.5252
591 C A -1.7403
592 R A -2.8053
593 H A -1.7689
594 G A -2.0085
595 G A -2.1961
596 K A -2.6704
597 C A -1.6798
598 L A -0.6934
599 D A -1.8900
600 L A -0.3356
601 V A -0.1156
602 D A -2.2505
603 K A -1.9687
604 Y A -0.7124
605 L A 0.4804
606 C A -0.8855
607 R A -1.9790
608 C A -1.2113
609 P A -1.2533
610 S A -0.5940
611 G A -0.8587
612 T A 0.0000
613 T A 0.0242
614 G A 0.2475
615 V A 1.3935
616 N A -0.4507
617 C A 0.0000
618 E A -0.6016
619 V A 0.5203
620 N A -0.8008
621 I A -0.4381
622 D A -2.3059
623 D A -2.8447
624 C A -2.0836
625 A A -1.0763
626 S A -1.1832
627 N A -1.3511
628 P A -0.4844
629 C A 0.1093
630 T A 0.3985
631 F A 1.1649
632 G A 0.5873
633 V A 0.8066
634 C A 0.0000
635 R A -2.6927
636 D A -2.8172
637 G A -2.2244
638 I A -0.9375
639 N A -2.2256
640 R A -3.1039
641 Y A -2.6489
642 D A -2.1616
643 C A -0.1219
644 V A 1.1489
645 C A 0.5920
646 Q A -1.0759
647 P A -1.4462
648 G A -1.9047
649 F A -0.6068
650 T A 0.2047
651 G A 0.2726
652 P A -0.0066
653 L A 0.6923
654 C A 0.0000
655 N A -0.3293
656 V A 0.6629
657 E A -1.5436
658 I A -1.0203
659 N A -1.8245
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1952 V A -0.7847
1953 E A -1.9118
1954 A A 0.0000
1955 T A 0.0000
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1960 K A -2.2336
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1965 K A -1.4256
1966 D A -1.3299
1967 M A -1.1862
1968 Q A -1.5840
1969 D A 0.0000
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1971 K A -1.3809
1972 E A -2.2107
1973 E A 0.0000
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
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1980 A A 0.0000
1981 R A 0.0000
1982 E A -0.4268
1983 G A -0.5313
1984 S A 0.0000
1985 Y A -1.0372
1986 E A -1.7897
1987 A A 0.0000
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1989 K A -1.9259
1990 L A -1.0507
1991 L A 0.0000
1992 L A -1.2121
1993 D A -1.8448
1994 H A -0.9209
1995 F A -0.5104
1996 A A 0.0000
1997 N A -1.3150
1998 R A -1.5677
1999 E A -2.0335
2000 I A -1.4647
2001 T A -1.6718
2002 D A 0.0000
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2004 L A -0.5597
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2006 R A -1.5598
2007 L A -1.2318
2008 P A 0.0000
2009 R A -2.7352
2010 D A -2.1673
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.0021
2015 R A -1.3521
2016 L A -0.0040
2017 H A -1.1717
2018 Q A -1.7236
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2245 L A 2.0618
2246 T A 0.8075
2247 P A -0.2837
2248 S A -0.8744
2249 P A -1.3752
2250 E A -2.1555
2251 S A -1.3305
2252 P A -1.3487
2253 E A -2.0554
2254 H A -1.4884
2255 W A -0.3476
2256 A A -0.0621
2257 S A -0.3297
2258 P A -0.4715
2259 S A -0.5957
2260 P A -0.5347
2261 P A -0.6201
2262 S A -0.3179
2263 L A -0.2095
2264 S A -0.5662
2265 D A -1.4465
2266 W A -0.3292
2267 S A -1.1231
2268 E A -1.9818
2269 S A -1.1341
2270 T A -0.8329
2271 P A -0.6810
2272 S A -0.4920
2273 P A -0.3962
2274 A A -0.1750
2275 T A -0.1608
2276 A A -0.1304
2277 T A -0.2950
2278 G A -0.2593
2279 A A 0.3621
2280 M A 1.0054
2281 A A 0.5584
2282 T A 0.1247
2283 T A -0.2257
2284 T A -0.1824
2285 G A -0.1825
2286 A A 0.5373
2287 L A 1.2369
2288 P A 0.1868
2289 A A -0.3205
2290 Q A -0.8634
2291 P A -0.0165
2292 L A 1.3839
2293 P A 1.0452
2294 L A 2.0516
2295 S A 1.5468
2296 V A 1.8080
2297 P A 0.4013
2298 S A 0.2369
2299 S A 0.4036
2300 L A 1.1539
2301 A A 0.1850
2302 Q A -1.0207
2303 A A -1.1444
2304 Q A -1.7083
2305 T A -0.9513
2306 Q A -0.8389
2307 L A 0.6302
2308 G A -0.3788
2309 P A -0.8965
2310 Q A -1.9775
2311 P A -1.4389
2312 E A -1.3975
2313 V A 0.7192
2314 T A -0.1965
2315 P A -1.2850
2316 K A -3.1366
2317 R A -3.0973
2318 Q A -1.2671
2319 V A 1.6584
2320 L A 2.2683
2321 A A 1.2224
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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 -0.0933 7.5236 View CSV PDB
4.5 -0.1749 7.4499 View CSV PDB
5.0 -0.2737 7.3417 View CSV PDB
5.5 -0.3761 7.2169 View CSV PDB
6.0 -0.47 7.0949 View CSV PDB
6.5 -0.5477 6.9955 View CSV PDB
7.0 -0.6082 6.9338 View CSV PDB
7.5 -0.6566 6.9054 View CSV PDB
8.0 -0.6965 6.8948 View CSV PDB
8.5 -0.7264 6.8913 View CSV PDB
9.0 -0.743 6.8902 View CSV PDB