Project name: R182C

Status: done

Started: 2026-05-08 01:43:01
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFCCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:27)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:27)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:26:45)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/b2905a9dc8f8e4f/tmp/folded.pdb                (00:26:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:57:24)
Show buried residues

Minimal score value
-4.7446
Maximal score value
6.0404
Average score
-0.763
Total score value
-1770.875

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 0.7143
2 G A -0.1956
3 P A -0.6408
4 G A -1.0828
5 A A -1.4883
6 R A -2.8323
7 G A -2.6735
8 R A -3.9178
9 R A -4.4430
10 R A -4.4995
11 R A -4.5054
12 R A -4.0043
13 R A -3.0519
14 P A -1.3071
15 M A 0.0718
16 S A -0.1881
17 P A -0.3549
18 P A -0.5163
19 P A -0.6802
20 P A -0.6823
21 P A -0.4138
22 P A -0.3666
23 P A -0.0775
24 V A 0.8731
25 R A -0.6594
26 A A 0.4907
27 L A 1.8024
28 P A 1.6729
29 L A 3.2371
30 L A 3.8564
31 L A 3.8447
32 L A 3.7053
33 L A 2.7742
34 A A 1.1315
35 G A -0.0449
36 P A -0.4658
37 G A -0.6673
38 A A -0.2846
39 A A -0.2452
40 A A -0.5570
41 P A -1.0591
42 P A -1.0958
43 C A 0.0000
44 L A -0.2327
45 D A -1.5229
46 G A -1.0410
47 S A -0.7871
48 P A -1.0219
49 C A -1.1277
50 A A -1.3266
51 N A -1.6813
52 G A -1.2754
53 G A -1.2047
54 R A -1.6510
55 C A -0.4797
56 T A -0.8418
57 Q A -1.9325
58 L A -1.3705
59 P A -1.3479
60 S A -1.8241
61 R A -3.0853
62 E A -2.8926
63 A A 0.0000
64 A A -1.0776
65 C A 0.0000
66 L A 0.5100
67 C A -0.1185
68 P A -0.2355
69 P A -0.4654
70 G A -1.0351
71 W A -0.8884
72 V A -0.8311
73 G A -0.9433
74 E A -1.9307
75 R A -1.7828
76 C A 0.0000
77 Q A -1.6711
78 L A -1.4772
79 E A -2.3400
80 D A -1.6816
81 P A -1.4257
82 C A -1.0324
83 H A -1.6492
84 S A -1.1554
85 G A -0.8698
86 P A -0.5802
87 C A -0.7867
88 A A -0.5096
89 G A -0.9747
90 R A -1.6545
91 G A -1.0694
92 V A 0.3500
93 C A -0.3650
94 Q A -1.0620
95 S A -0.6802
96 S A -0.2233
97 V A 0.5215
98 V A 1.3529
99 A A 0.5198
100 G A -0.2818
101 T A -0.2321
102 A A 0.0000
103 R A -1.4766
104 F A -0.8818
105 S A -0.9098
106 C A -0.9719
107 R A -1.7403
108 C A -1.0941
109 P A -1.2539
110 R A -1.7256
111 G A -0.3196
112 F A -0.1771
113 R A -0.5196
114 G A -0.5401
115 P A -0.7328
116 D A -0.7455
117 C A 0.0000
118 S A -0.2093
119 L A 0.5426
120 P A -0.0035
121 D A -0.1003
122 P A 0.0904
123 C A 0.3146
124 L A 0.7339
125 S A 0.2643
126 S A -0.1177
127 P A -0.3623
128 C A -1.1439
129 A A -1.6060
130 H A -1.6861
131 G A -1.2891
132 A A 0.0000
133 R A -1.8796
134 C A -0.2894
135 S A -0.2044
136 V A 0.0129
137 G A 0.0000
138 P A -1.0960
139 D A -1.9829
140 G A -1.4551
141 R A -1.9421
142 F A -0.5570
143 L A -0.1552
144 C A -0.8255
145 S A -0.9900
146 C A -1.3603
147 P A -0.8386
148 P A -0.4743
149 G A 0.0000
150 Y A -1.7651
151 Q A -2.3787
152 G A -2.3738
153 R A -2.2339
154 S A -1.8460
155 C A 0.0000
156 R A -2.8938
157 S A -2.2434
158 D A -1.8600
159 V A -1.0923
160 D A -1.1486
161 E A -1.0619
162 C A -1.0656
163 R A -1.6824
164 V A 0.1429
165 G A -1.0042
166 E A -2.3858
167 P A -1.4731
168 C A 0.0000
169 R A -3.0452
170 H A -2.1514
171 G A -1.7561
172 G A -1.4929
173 T A -0.9339
174 C A -0.7579
175 L A 0.1384
176 N A -0.5294
177 T A -0.2112
178 P A -0.9245
179 G A -1.0352
180 S A -0.2346
181 F A 0.3138
182 C A 0.6201
183 C A 0.0000
184 Q A -0.9802
185 C A -0.9838
186 P A -0.6552
187 A A 0.1271
188 G A 0.0809
189 Y A -0.5590
190 T A -0.7143
191 G A -0.9648
192 P A -0.5590
193 L A -0.9842
194 C A 0.0000
195 E A -1.7139
196 N A -1.5663
197 P A -0.5086
198 A A 0.3935
199 V A 1.1185
200 P A 0.0347
201 C A -0.1963
202 A A 0.2672
203 P A 0.0180
204 S A -0.6616
205 P A -1.1970
206 C A 0.0000
207 R A -2.9438
208 N A -2.1115
209 G A -1.3861
210 G A -1.6223
211 T A -1.1822
212 C A -1.8111
213 R A -2.9205
214 Q A -2.3651
215 S A -1.7367
216 G A -1.2159
217 D A -1.0865
218 L A 0.7852
219 T A -0.4586
220 Y A -1.5490
221 D A -2.8136
222 C A -2.3128
223 A A -0.9107
224 C A -0.8730
225 L A 0.0325
226 P A -0.0950
227 G A -0.6020
228 F A -1.2989
229 E A -2.3569
230 G A -2.0756
231 Q A -2.3758
232 N A -2.4295
233 C A 0.0000
234 E A -2.7441
235 V A -1.0649
236 N A -1.3274
237 V A -1.0509
238 D A -1.9438
239 D A -1.9259
240 C A -1.5898
241 P A -1.3777
242 G A -1.3606
243 H A -1.5904
244 R A -2.0852
245 C A 0.0000
246 L A 0.0690
247 N A -0.8399
248 G A -0.5954
249 G A 0.0000
250 T A -0.5535
251 C A -0.7283
252 V A -0.1288
253 D A -0.8721
254 G A -0.3340
255 V A 0.4980
256 N A -0.9230
257 T A -0.7307
258 Y A -1.2640
259 N A -1.7128
260 C A -1.2575
261 Q A -1.3600
262 C A -1.1522
263 P A -0.6506
264 P A -0.8407
265 E A -1.2891
266 W A -1.1994
267 T A -1.4263
268 G A -1.5265
269 Q A -1.9321
270 F A -1.3891
271 C A 0.0000
272 T A -1.2041
273 E A -2.0945
274 D A -1.3701
275 V A -1.1568
276 D A -1.6784
277 E A -1.1141
278 C A -1.0238
279 Q A -1.2127
280 L A 0.1717
281 Q A -0.8172
282 P A -1.1800
283 N A -1.8912
284 A A -1.2142
285 C A 0.0000
286 H A -1.4586
287 N A -1.3919
288 G A -0.9798
289 G A -0.6261
290 T A -0.2823
291 C A -0.4368
292 F A -0.0473
293 N A -0.7625
294 T A 0.0596
295 L A 0.6917
296 G A -0.4424
297 G A -0.3933
298 H A -0.7443
299 S A -0.6127
300 C A -0.3341
301 V A -0.0969
302 C A -0.5496
303 V A 0.0195
304 N A -0.8384
305 G A 0.0000
306 W A -0.9324
307 T A -1.2393
308 G A -1.5067
309 E A -2.1401
310 S A -1.5443
311 C A 0.0000
312 S A -1.6350
313 Q A -2.2639
314 N A -2.1601
315 I A -1.3117
316 D A -2.0969
317 D A -1.1510
318 C A -0.4636
319 A A -0.2758
320 T A -0.0093
321 A A 0.7493
322 V A 1.7663
323 C A 1.4502
324 F A 0.8730
325 H A -0.6558
326 G A -0.5194
327 A A 0.1854
328 T A 0.2159
329 C A 0.2413
330 H A -0.7646
331 D A -1.3701
332 R A -1.5883
333 V A -0.2201
334 A A -0.6009
335 S A -0.6607
336 F A 0.1151
337 Y A 0.8531
338 C A 0.0000
339 A A 0.5308
340 C A 0.4675
341 P A 0.1560
342 M A 0.8068
343 G A -0.0637
344 K A -0.9788
345 T A -0.7513
346 G A 0.1678
347 L A 1.3107
348 L A 1.4263
349 C A 0.0000
350 H A -0.3699
351 L A -1.2480
352 D A -2.1519
353 D A -1.5043
354 A A -1.3265
355 C A -0.4869
356 V A 0.5192
357 S A -0.1648
358 N A -1.0182
359 P A -1.0670
360 C A -1.3182
361 H A -2.2274
362 E A -2.9101
363 D A -2.2331
364 A A -0.9017
365 I A 0.9672
366 C A -0.2004
367 D A -1.1757
368 T A 0.0000
369 N A -1.2273
370 P A -0.8617
371 V A -0.1384
372 N A -1.4715
373 G A -2.0395
374 R A -2.5217
375 A A 0.0000
376 I A 0.0074
377 C A -0.2323
378 T A -0.1148
379 C A -0.6449
380 P A -0.6157
381 P A -1.0053
382 G A -0.8366
383 F A -1.5049
384 T A -1.4314
385 G A -1.4177
386 G A -0.9513
387 A A -1.1047
388 C A 0.0000
389 D A -2.8730
390 Q A -2.6488
391 D A -2.1384
392 V A -0.9636
393 D A -0.8281
394 E A -0.2464
395 C A -0.2104
396 S A 0.1730
397 I A 1.3158
398 G A 0.1974
399 A A -0.3490
400 N A -1.1106
401 P A -0.4706
402 C A 0.0000
403 E A -0.9249
404 H A -0.6873
405 L A 0.4118
406 G A 0.0000
407 R A -1.9069
408 C A 0.0000
409 V A -0.1732
410 N A -0.8977
411 T A -0.7019
412 Q A -1.7753
413 G A -1.3746
414 S A -0.4536
415 F A 0.2382
416 L A 0.8572
417 C A 0.0000
418 Q A -1.3829
419 C A -1.1855
420 G A -1.2674
421 R A -2.0299
422 G A 0.0000
423 Y A -0.8324
424 T A -0.9682
425 G A -0.9214
426 P A -0.6061
427 R A 0.0000
428 C A 0.0000
429 E A -1.4179
430 T A -0.9660
431 D A -1.6448
432 V A -0.7886
433 N A -1.0568
434 E A -0.8934
435 C A -0.2677
436 L A 0.9299
437 S A 0.1506
438 G A -0.5076
439 P A -0.2954
440 C A -0.7441
441 R A -2.1251
442 N A -1.8696
443 Q A -1.7761
444 A A -0.4158
445 T A 0.1487
446 C A 0.1077
447 L A -0.3524
448 D A -1.9551
449 R A -2.3184
450 I A -0.9144
451 G A 0.0000
452 Q A -1.8762
453 F A -0.8362
454 T A 0.0184
455 C A 0.7707
456 I A 1.9003
457 C A 0.8814
458 M A 0.2582
459 A A 0.2962
460 G A -0.7138
461 F A -0.2577
462 T A 0.1618
463 G A 0.0369
464 T A 0.3280
465 Y A 0.3688
466 C A 0.0000
467 E A -1.0300
468 V A -0.2949
469 D A -1.8816
470 I A -1.5882
471 D A -3.3733
472 E A -3.1314
473 C A -2.2891
474 Q A -2.2803
475 S A -1.3698
476 S A -0.6822
477 P A -0.0797
478 C A 0.2851
479 V A 0.5478
480 N A -0.7366
481 G A -0.2522
482 G A 0.3627
483 V A 1.2221
484 C A -0.4267
485 K A -2.3872
486 D A -3.7144
487 R A -2.9720
488 V A -0.6975
489 N A -1.5641
490 G A -1.5639
491 F A -1.7154
492 S A -0.8410
493 C A 0.1757
494 T A 0.3588
495 C A 0.3584
496 P A -0.3507
497 S A -0.9646
498 G A -1.8674
499 F A -1.0515
500 S A -0.6111
501 G A -0.5088
502 S A -0.2282
503 T A 0.0550
504 C A 0.0000
505 Q A -0.9852
506 L A -0.3365
507 D A -2.4089
508 V A -1.8004
509 D A -2.6804
510 E A -2.5574
511 C A -1.4279
512 A A -0.8968
513 S A -0.7153
514 T A -0.9938
515 P A -0.8054
516 C A 0.0000
517 R A -3.1364
518 N A -2.3919
519 G A -2.1257
520 A A -2.7045
521 K A -2.8116
522 C A -2.0112
523 V A -1.4709
524 D A -2.2734
525 Q A -2.3241
526 P A -2.3344
527 D A -2.7700
528 G A -1.9197
529 Y A -1.6005
530 E A -2.0469
531 C A -2.1407
532 R A -3.0353
533 C A -2.7914
534 A A -1.8608
535 E A -1.7763
536 G A -1.0743
537 F A -2.3335
538 E A -2.7784
539 G A -2.1711
540 T A -1.4038
541 L A -1.5472
542 C A 0.0000
543 D A -3.5537
544 R A -3.6957
545 N A -2.4892
546 V A -1.7859
547 D A -2.3798
548 D A -1.7140
549 C A -1.9359
550 S A -1.7458
551 P A -1.5806
552 D A -2.7662
553 P A -1.9141
554 C A 0.0000
555 H A -2.5516
556 H A -2.0006
557 G A -1.8238
558 R A -2.2718
559 C A -1.3685
560 V A -0.3668
561 D A -1.6535
562 G A -0.0824
563 I A 0.9242
564 A A -0.2307
565 S A -0.1080
566 F A -0.3087
567 S A -0.3981
568 C A -1.1797
569 A A -0.4386
570 C A -0.9330
571 A A -0.6067
572 P A -0.4458
573 G A -0.8400
574 Y A -1.0633
575 T A -1.0094
576 G A -1.2841
577 T A -1.0234
578 R A -2.3520
579 C A 0.0000
580 E A -2.6507
581 S A -1.8267
582 Q A -1.5360
583 V A -1.4870
584 D A -2.3615
585 E A -2.2851
586 C A 0.0000
587 R A -2.9347
588 S A -1.9240
589 Q A -2.6814
590 P A -1.4615
591 C A -1.7852
592 R A -2.8041
593 H A -1.8408
594 G A -2.0657
595 G A -2.2245
596 K A -2.7635
597 C A 0.0000
598 L A -0.9189
599 D A -1.8462
600 L A -0.3256
601 V A -0.0016
602 D A -2.0896
603 K A -1.8506
604 Y A -0.7111
605 L A 0.5089
606 C A -0.9372
607 R A -2.0211
608 C A -1.2792
609 P A -1.3976
610 S A -0.6035
611 G A -0.8137
612 T A 0.0000
613 T A 0.1543
614 G A 0.2670
615 V A 1.3737
616 N A -0.4257
617 C A 0.0000
618 E A -0.5405
619 V A 0.5754
620 N A -0.6443
621 I A 0.0272
622 D A -2.0686
623 D A -2.6775
624 C A -1.8389
625 A A -0.9676
626 S A -1.1607
627 N A -1.1093
628 P A -0.3624
629 C A 0.1238
630 T A 0.4361
631 F A 0.9741
632 G A 0.5145
633 V A 1.1497
634 C A -0.4238
635 R A -2.5168
636 D A -2.6799
637 G A -2.2808
638 I A -1.3166
639 N A -2.3296
640 R A -3.1168
641 Y A -2.4754
642 D A -2.2244
643 C A 0.0000
644 V A 0.3275
645 C A 0.2205
646 Q A -1.2489
647 P A -1.5602
648 G A -1.8475
649 F A -0.6986
650 T A 0.0890
651 G A 0.2036
652 P A -0.0965
653 L A 0.8285
654 C A 0.0000
655 N A -0.3366
656 V A 0.6596
657 E A -1.4956
658 I A -0.9559
659 N A -1.8062
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1973 E A 0.0000
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1982 E A -2.0890
1983 G A -1.5409
1984 S A 0.0000
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1986 E A -1.5667
1987 A A 0.0000
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1990 L A -1.2965
1991 L A 0.0000
1992 L A 0.0000
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1994 H A -1.2021
1995 F A -0.8754
1996 A A 0.0000
1997 N A -1.3155
1998 R A -1.4962
1999 E A -1.6842
2000 I A -1.1233
2001 T A -1.4141
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2008 P A 0.0000
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2010 D A -2.6397
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2012 A A 0.0000
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2014 E A -3.2632
2015 R A -3.0171
2016 L A -0.9887
2017 H A -2.1908
2018 Q A -2.4475
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2246 T A 0.7578
2247 P A -0.1340
2248 S A -0.8550
2249 P A -1.4126
2250 E A -2.4415
2251 S A -1.9500
2252 P A -2.1826
2253 E A -2.6241
2254 H A -1.7093
2255 W A -0.0697
2256 A A -0.0564
2257 S A 0.1771
2258 P A -0.1269
2259 S A -0.6224
2260 P A -0.4201
2261 P A -0.1724
2262 S A -0.0353
2263 L A 0.8830
2264 S A -0.1107
2265 D A -1.1970
2266 W A -0.1182
2267 S A -1.0240
2268 E A -1.4691
2269 S A -1.2027
2270 T A -0.7648
2271 P A -0.7502
2272 S A -0.5173
2273 P A -0.4282
2274 A A -0.1988
2275 T A -0.2224
2276 A A -0.1772
2277 T A -0.1007
2278 G A -0.1843
2279 A A 0.3391
2280 M A 0.9430
2281 A A 0.4612
2282 T A 0.2081
2283 T A -0.0845
2284 T A -0.0927
2285 G A -0.1429
2286 A A 0.4927
2287 L A 1.1512
2288 P A 0.1158
2289 A A -0.0440
2290 Q A -0.7202
2291 P A 0.0564
2292 L A 1.3878
2293 P A 1.1908
2294 L A 2.2330
2295 S A 1.4658
2296 V A 1.8944
2297 P A 0.7615
2298 S A 0.4241
2299 S A 0.4651
2300 L A 1.0929
2301 A A 0.1769
2302 Q A -1.0352
2303 A A -1.0068
2304 Q A -1.7207
2305 T A -0.9570
2306 Q A -0.7879
2307 L A 0.6296
2308 G A -0.3857
2309 P A -0.8545
2310 Q A -1.9487
2311 P A -1.5251
2312 E A -1.3585
2313 V A 0.7365
2314 T A -0.0784
2315 P A -1.2613
2316 K A -3.0218
2317 R A -3.0117
2318 Q A -1.4283
2319 V A 1.6565
2320 L A 2.3071
2321 A A 1.2208
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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 -0.0758 7.1767 View CSV PDB
4.5 -0.1607 7.1767 View CSV PDB
5.0 -0.2629 7.1767 View CSV PDB
5.5 -0.3684 7.1767 View CSV PDB
6.0 -0.4648 7.1767 View CSV PDB
6.5 -0.5444 7.1767 View CSV PDB
7.0 -0.6069 7.1767 View CSV PDB
7.5 -0.6577 7.1767 View CSV PDB
8.0 -0.7001 7.1767 View CSV PDB
8.5 -0.7324 7.1767 View CSV PDB
9.0 -0.7511 7.1767 View CSV PDB