Project name: C43G

Status: done

Started: 2026-05-04 05:43:20
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPGLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:21)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:21)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:24)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/8299d701848f0d2/tmp/folded.pdb                (00:18:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:37:35)
Show buried residues

Minimal score value
-4.8039
Maximal score value
5.5344
Average score
-0.7651
Total score value
-1775.8249

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 -0.1949
3 P A -0.6364
4 G A -0.9682
5 A A -1.3511
6 R A -2.5449
7 G A -2.7093
8 R A -4.0013
9 R A -4.4608
10 R A -4.4527
11 R A -4.8039
12 R A -4.4515
13 R A -3.0821
14 P A -1.1119
15 M A 0.3047
16 S A -0.1272
17 P A -0.3133
18 P A -0.6199
19 P A -0.6230
20 P A -0.6247
21 P A -0.6304
22 P A -0.3834
23 P A 0.0162
24 V A 0.8784
25 R A -0.6738
26 A A 0.2972
27 L A 1.6764
28 P A 1.7525
29 L A 3.1507
30 L A 3.7268
31 L A 3.8931
32 L A 3.6157
33 L A 2.7311
34 A A 1.0554
35 G A -0.0414
36 P A -0.4908
37 G A -0.6482
38 A A -0.2813
39 A A -0.1553
40 A A -0.2885
41 P A -0.2386
42 P A -0.6069
43 G A -0.8008
44 L A 0.0718
45 D A -1.5281
46 G A -1.1307
47 S A -1.3582
48 P A -1.3877
49 C A 0.0000
50 A A -1.8853
51 N A -1.7481
52 G A -1.4571
53 G A 0.0000
54 R A -1.7445
55 C A -0.8283
56 T A -0.9750
57 Q A -2.0733
58 L A -1.3794
59 P A -1.3519
60 S A -1.8241
61 R A -3.0795
62 E A -2.9787
63 A A -2.0956
64 A A -1.4927
65 C A -1.0927
66 L A 0.3920
67 C A -0.4397
68 P A -0.1844
69 P A -0.4438
70 G A -1.0125
71 W A -0.9599
72 V A -0.9907
73 G A -1.2492
74 E A -2.4496
75 R A -2.8790
76 C A 0.0000
77 Q A -1.9563
78 L A -1.6227
79 E A -2.2804
80 D A -1.6110
81 P A -1.3899
82 C A -0.9453
83 H A -1.5972
84 S A -1.1474
85 G A -0.8738
86 P A -0.4204
87 C A -0.7332
88 A A -0.5225
89 G A -1.0719
90 R A -1.9246
91 G A -1.0261
92 V A 0.5157
93 C A -0.1215
94 Q A -0.6158
95 S A -0.4571
96 S A -0.0815
97 V A 0.5877
98 V A 1.5308
99 A A 0.6087
100 G A -0.2266
101 T A -0.1507
102 A A 0.0000
103 R A -1.4127
104 F A -0.6200
105 S A -0.7931
106 C A -0.8569
107 R A -1.6420
108 C A -1.0660
109 P A -1.2546
110 R A -1.8598
111 G A -0.1951
112 F A 0.0507
113 R A -0.3918
114 G A -0.4815
115 P A -0.8168
116 D A -0.7218
117 C A 0.0000
118 S A -0.0258
119 L A 0.5586
120 P A 0.2401
121 D A -0.0514
122 P A 0.1375
123 C A 0.3199
124 L A 0.5761
125 S A 0.1587
126 S A -0.2025
127 P A -0.3675
128 C A -1.1056
129 A A -1.6562
130 H A -1.7106
131 G A -1.2977
132 A A -1.5303
133 R A -1.8000
134 C A -0.1782
135 S A 0.0013
136 V A 0.1373
137 G A 0.0000
138 P A -1.1654
139 D A -2.2222
140 G A -1.4859
141 R A -1.8724
142 F A -0.4178
143 L A 0.4255
144 C A -0.5735
145 S A -0.8541
146 C A -1.2999
147 P A -0.8292
148 P A -0.5534
149 G A 0.0000
150 Y A -1.8000
151 Q A -2.4307
152 G A -2.4891
153 R A -2.3202
154 S A -1.8504
155 C A 0.0000
156 R A -2.9516
157 S A -2.2896
158 D A -1.9043
159 V A -1.0874
160 D A -1.0358
161 E A -1.3019
162 C A -1.3567
163 R A -1.6362
164 V A 0.1877
165 G A -0.9766
166 E A -2.3663
167 P A -1.7590
168 C A 0.0000
169 R A -3.0248
170 H A -2.1289
171 G A -1.7249
172 G A -1.7475
173 T A -1.2884
174 C A -1.4365
175 L A -0.6912
176 N A -1.1563
177 T A -0.7822
178 P A -0.9355
179 G A -1.0513
180 S A -0.7791
181 F A -0.9228
182 R A -1.8707
183 C A -1.6503
184 Q A -1.5525
185 C A -1.2680
186 P A -0.6400
187 A A 0.0122
188 G A 0.0720
189 Y A -0.4167
190 T A -0.6808
191 G A -0.9475
192 P A -1.0951
193 L A -1.3876
194 C A 0.0000
195 E A -1.7456
196 N A -1.5498
197 P A -0.3646
198 A A 0.3449
199 V A 1.0702
200 P A 0.0000
201 C A -0.2396
202 A A 0.2926
203 P A 0.0227
204 S A -0.6824
205 P A -1.1609
206 C A 0.0000
207 R A -3.0728
208 N A -2.0709
209 G A -1.4254
210 G A -1.6885
211 T A -1.2224
212 C A -1.8435
213 R A -2.9155
214 Q A -2.3931
215 S A -1.8170
216 G A -1.3623
217 D A -1.3048
218 L A 0.3289
219 T A -0.6917
220 Y A -1.6618
221 D A -2.8547
222 C A 0.0000
223 A A -0.9879
224 C A -0.9572
225 L A 0.0266
226 P A -0.0725
227 G A -0.4414
228 F A -1.1304
229 E A -2.3005
230 G A -2.0875
231 Q A -2.4452
232 N A -2.4574
233 C A 0.0000
234 E A -2.6137
235 V A -0.7039
236 N A -0.6933
237 V A -0.9194
238 D A -1.7935
239 D A -1.6296
240 C A -1.4487
241 P A -1.3312
242 G A -1.3086
243 H A -1.5943
244 R A -2.0974
245 C A 0.0000
246 L A 0.0695
247 N A -0.8637
248 G A -0.6090
249 G A -0.8170
250 T A -0.6510
251 C A -0.8413
252 V A -0.4250
253 D A -1.0049
254 G A -0.2901
255 V A 0.6877
256 N A -0.7032
257 T A -0.6938
258 Y A -1.2945
259 N A -1.8533
260 C A -1.3557
261 Q A -1.4183
262 C A -1.1240
263 P A -0.6512
264 P A -0.7488
265 E A -1.2680
266 W A -1.2131
267 T A -1.4064
268 G A -1.6372
269 Q A -1.9360
270 F A -1.3892
271 C A 0.0000
272 T A -1.2294
273 E A -2.1220
274 D A -1.4697
275 V A -1.1436
276 D A -1.3816
277 E A -1.1294
278 C A -0.9104
279 Q A -1.2443
280 L A -0.1604
281 Q A -1.5566
282 P A -1.5035
283 N A -2.1522
284 A A -1.3372
285 C A 0.0000
286 H A -2.1612
287 N A -2.0810
288 G A -1.5180
289 G A -0.3582
290 T A 0.6130
291 C A 0.4405
292 F A 1.6151
293 N A 0.0140
294 T A 0.4066
295 L A 0.6801
296 G A -0.4668
297 G A -0.2398
298 H A -0.1403
299 S A 0.2241
300 C A 0.6336
301 V A 1.7807
302 C A 0.0756
303 V A -0.3973
304 N A -1.0064
305 G A 0.0000
306 W A -0.8533
307 T A -1.0002
308 G A -1.3006
309 E A -2.0237
310 S A -1.5294
311 C A 0.0000
312 S A -1.6522
313 Q A -1.9088
314 N A -1.4853
315 I A -0.9330
316 D A -2.0410
317 D A -0.9960
318 C A -0.3630
319 A A -0.2207
320 T A 0.0325
321 A A 0.7874
322 V A 1.7617
323 C A 1.3103
324 F A 0.4063
325 H A -0.9490
326 G A -0.5149
327 A A 0.0108
328 T A 0.1800
329 C A 0.4547
330 H A -0.7039
331 D A -1.3100
332 R A -1.4827
333 V A -1.1335
334 A A -0.7356
335 S A -0.5484
336 F A 0.2731
337 Y A 1.0686
338 C A 0.0000
339 A A 0.5819
340 C A 0.3730
341 P A 0.0829
342 M A 0.7886
343 G A -0.0552
344 K A -1.1707
345 T A -0.6593
346 G A 0.3294
347 L A 2.1631
348 L A 1.5629
349 C A 0.0000
350 H A -0.6655
351 L A -1.2830
352 D A -2.3183
353 D A -1.4495
354 A A -1.1982
355 C A -0.3953
356 V A 0.8243
357 S A -0.0072
358 N A -1.1049
359 P A -0.9103
360 C A -1.3760
361 H A -2.2136
362 E A -2.8967
363 D A -2.2279
364 A A -0.9384
365 I A 0.8751
366 C A -0.1064
367 D A -1.3411
368 T A 0.0000
369 N A 0.0000
370 P A 0.0784
371 V A 1.0869
372 N A -0.9774
373 G A -1.7802
374 R A -2.4743
375 A A 0.0000
376 I A -0.4598
377 C A -0.4711
378 T A 0.1652
379 C A -0.3468
380 P A -0.3191
381 P A -0.4026
382 G A 0.0000
383 F A -1.3146
384 T A -1.1758
385 G A -1.3790
386 G A -1.2807
387 A A -1.3541
388 C A 0.0000
389 D A -2.7714
390 Q A -2.5472
391 D A -1.9287
392 V A -1.0713
393 D A -1.2514
394 E A -0.6163
395 C A -0.4572
396 S A -0.7466
397 I A -0.5721
398 G A -1.4209
399 A A -1.3233
400 N A -1.8730
401 P A -1.2050
402 C A 0.0000
403 E A -2.5281
404 H A -1.5991
405 L A -0.1992
406 G A 0.0000
407 R A -2.1903
408 C A 0.0000
409 V A 0.0784
410 N A -0.4736
411 T A -0.4789
412 Q A -1.5111
413 G A -1.2397
414 S A -0.3070
415 F A 0.3119
416 L A 0.5578
417 C A -1.0314
418 Q A -1.5869
419 C A -1.6359
420 G A -1.3317
421 R A -1.9472
422 G A 0.0000
423 Y A -1.1356
424 T A -1.5280
425 G A -1.4528
426 P A -1.2099
427 R A -2.4107
428 C A 0.0000
429 E A -2.1748
430 T A -1.7128
431 D A -1.8772
432 V A -0.6237
433 N A -0.5237
434 E A -0.5634
435 C A -0.0685
436 L A 1.0573
437 S A 0.1938
438 G A -0.4691
439 P A -0.3346
440 C A -0.8004
441 R A -2.1908
442 N A -1.9285
443 Q A -1.7794
444 A A -0.4133
445 T A 0.1947
446 C A 0.2154
447 L A -0.1929
448 D A -1.5132
449 R A -1.8564
450 I A -0.1629
451 G A 0.0000
452 Q A -1.5415
453 F A -0.6082
454 T A 0.0740
455 C A 0.8189
456 I A 1.9901
457 C A 0.9121
458 M A 0.3177
459 A A 0.3428
460 G A -0.6349
461 F A -0.1979
462 T A 0.0084
463 G A 0.0143
464 T A 0.2762
465 Y A 0.2421
466 C A 0.0000
467 E A -1.1295
468 V A -0.2860
469 D A -1.7440
470 I A -1.4265
471 D A -3.0760
472 E A -2.9675
473 C A -2.1459
474 Q A -2.2224
475 S A -1.3425
476 S A -0.5136
477 P A -0.0610
478 C A 0.2982
479 V A 0.5300
480 N A -0.7352
481 G A -0.2589
482 G A 0.3592
483 V A 1.2385
484 C A -0.5165
485 K A -2.1925
486 D A -3.4257
487 R A -2.7951
488 V A -0.5891
489 N A -1.4677
490 G A -1.4420
491 F A -1.5241
492 S A -0.7779
493 C A 0.1980
494 T A 0.3602
495 C A 0.3815
496 P A -0.3648
497 S A -1.1091
498 G A -2.0582
499 F A -1.1263
500 S A -0.6096
501 G A -0.3931
502 S A -0.2135
503 T A 0.0725
504 C A 0.0000
505 Q A -0.9547
506 L A -0.2842
507 D A -2.4863
508 V A -1.9500
509 D A -2.9575
510 E A -2.8001
511 C A -1.8462
512 A A -1.0110
513 S A -0.6994
514 T A -0.9789
515 P A -1.0977
516 C A 0.0000
517 R A -3.1592
518 N A -2.3289
519 G A -2.1421
520 A A -2.7834
521 K A -3.0002
522 C A 0.0000
523 V A -2.3003
524 D A -3.6786
525 Q A -3.3269
526 P A -2.7073
527 D A -2.9859
528 G A -2.3810
529 Y A -2.4097
530 E A -2.8094
531 C A 0.0000
532 R A -3.1676
533 C A -2.8695
534 A A -1.8619
535 E A -1.7808
536 G A -1.0759
537 F A -2.1807
538 E A -2.7700
539 G A -1.9587
540 T A -1.4211
541 L A -1.7840
542 C A 0.0000
543 D A -3.4749
544 R A -3.3821
545 N A -2.2252
546 V A -1.5959
547 D A -2.3072
548 D A -1.5735
549 C A -1.8016
550 S A -1.6684
551 P A -1.6063
552 D A -2.7436
553 P A -1.9613
554 C A 0.0000
555 H A -2.5758
556 H A -2.0409
557 G A -1.8984
558 R A -2.2342
559 C A -1.5095
560 V A -0.2382
561 D A -0.8742
562 G A 0.3251
563 I A 0.9423
564 A A -0.0365
565 S A 0.0502
566 F A -0.1952
567 S A -0.3408
568 C A -1.1529
569 A A -0.5167
570 C A -1.1433
571 A A -0.9065
572 P A -0.6668
573 G A 0.0000
574 Y A -1.1097
575 T A -1.1145
576 G A -1.2925
577 T A -1.0323
578 R A -2.3380
579 C A 0.0000
580 E A -2.6591
581 S A -1.7974
582 Q A -1.5431
583 V A -1.4690
584 D A -2.5241
585 E A -2.4796
586 C A -2.4099
587 R A -3.0157
588 S A -1.9843
589 Q A -2.6436
590 P A -1.5233
591 C A -1.7743
592 R A -2.8369
593 H A -1.8726
594 G A -2.1745
595 G A -2.2696
596 K A -2.7536
597 C A -1.7470
598 L A -0.9366
599 D A -1.9263
600 L A -0.2041
601 V A 0.0773
602 D A -1.9744
603 K A -1.8043
604 Y A -0.7615
605 L A 0.5039
606 C A -0.9149
607 R A -1.9801
608 C A -1.2958
609 P A -1.2858
610 S A -0.4731
611 G A -0.6979
612 T A 0.0000
613 T A 0.1741
614 G A 0.4782
615 V A 1.4588
616 N A -0.4368
617 C A 0.0000
618 E A -0.6149
619 V A 0.6493
620 N A -0.6689
621 I A -0.0800
622 D A -2.2604
623 D A -2.8576
624 C A 0.0000
625 A A -1.1076
626 S A -1.2689
627 N A -1.3580
628 P A -0.6430
629 C A 0.0000
630 T A 0.3038
631 F A 0.9568
632 G A 0.3722
633 V A 0.8021
634 C A -0.8122
635 R A -2.6237
636 D A -2.6024
637 G A -1.9668
638 I A -0.6153
639 N A -2.0560
640 R A -3.0665
641 Y A -2.6609
642 D A -2.3173
643 C A -0.5945
644 V A 0.3809
645 C A 0.1607
646 Q A -1.2150
647 P A -1.3879
648 G A 0.0000
649 F A 0.0000
650 T A -0.0898
651 G A 0.0551
652 P A -0.2677
653 L A 0.4173
654 C A 0.0000
655 N A -0.6257
656 V A 0.0520
657 E A -2.0864
658 I A -1.3770
659 N A -2.0740
660 E A -2.1592
661 C A -0.8743
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1973 E A 0.0000
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1993 D A -1.6925
1994 H A -0.7299
1995 F A -0.0486
1996 A A 0.0000
1997 N A -0.9977
1998 R A -1.5528
1999 E A -2.0696
2000 I A -1.5023
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2012 A A 0.0000
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2014 E A -2.8245
2015 R A -2.0022
2016 L A -0.5530
2017 H A -1.6724
2018 Q A -2.3655
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2247 P A -0.2000
2248 S A -0.9052
2249 P A -1.5211
2250 E A -2.2076
2251 S A -1.7146
2252 P A -1.8976
2253 E A -2.2847
2254 H A -1.4799
2255 W A 0.2813
2256 A A 0.3348
2257 S A -0.1418
2258 P A -0.5203
2259 S A -0.5789
2260 P A -0.6258
2261 P A -0.2139
2262 S A 0.4240
2263 L A 0.9035
2264 S A -0.1758
2265 D A -1.0381
2266 W A -0.3134
2267 S A -1.0268
2268 E A -1.8162
2269 S A -1.2678
2270 T A -0.7797
2271 P A -0.6931
2272 S A -0.4733
2273 P A -0.4027
2274 A A -0.1807
2275 T A -0.0820
2276 A A -0.0980
2277 T A -0.2757
2278 G A -0.2010
2279 A A 0.3678
2280 M A 0.9870
2281 A A 0.5468
2282 T A 0.1162
2283 T A -0.2332
2284 T A -0.3725
2285 G A -0.1744
2286 A A 0.6011
2287 L A 1.3712
2288 P A 0.2767
2289 A A -0.3639
2290 Q A -0.9976
2291 P A 0.0297
2292 L A 1.3928
2293 P A 1.3209
2294 L A 2.1189
2295 S A 1.4753
2296 V A 1.8569
2297 P A 0.3840
2298 S A 0.2301
2299 S A 0.4157
2300 L A 1.1598
2301 A A 0.1768
2302 Q A -1.0665
2303 A A -1.2121
2304 Q A -1.7230
2305 T A -0.8970
2306 Q A -0.8294
2307 L A 0.5322
2308 G A -0.4159
2309 P A -0.8389
2310 Q A -1.6031
2311 P A -1.4441
2312 E A -1.3446
2313 V A 0.3652
2314 T A -0.1749
2315 P A -1.3660
2316 K A -2.8647
2317 R A -3.0212
2318 Q A -1.3209
2319 V A 1.5553
2320 L A 2.1691
2321 A A 1.1997
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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 -0.0829 7.4523 View CSV PDB
4.5 -0.1672 7.3736 View CSV PDB
5.0 -0.2692 7.2681 View CSV PDB
5.5 -0.3746 7.1537 View CSV PDB
6.0 -0.4712 7.0478 View CSV PDB
6.5 -0.5517 6.9684 View CSV PDB
7.0 -0.6155 6.9239 View CSV PDB
7.5 -0.6676 6.9052 View CSV PDB
8.0 -0.7111 6.8996 View CSV PDB
8.5 -0.7444 6.8996 View CSV PDB
9.0 -0.764 6.8996 View CSV PDB