Project name: R90C

Status: done

Started: 2026-05-07 02:42:52
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGCGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:35)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:36)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:30:46)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/19447041a7c46bc/tmp/folded.pdb                (00:30:46)
[INFO]       Main:     Simulation completed successfully.                                          (01:08:41)
Show buried residues

Minimal score value
-4.74
Maximal score value
5.8526
Average score
-0.7576
Total score value
-1758.2805

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 0.7127
2 G A -0.1906
3 P A -0.4429
4 G A -0.9305
5 A A -1.2803
6 R A -2.6046
7 G A -2.7725
8 R A -3.7732
9 R A -4.2728
10 R A -4.7313
11 R A -4.5795
12 R A -4.0398
13 R A -3.3084
14 P A -1.3728
15 M A 0.1019
16 S A -0.0800
17 P A -0.3475
18 P A -0.6208
19 P A -0.6495
20 P A -0.6531
21 P A -0.4340
22 P A -0.3063
23 P A -0.0729
24 V A 0.8547
25 R A -0.6693
26 A A 0.5234
27 L A 1.8054
28 P A 1.6790
29 L A 3.2499
30 L A 3.8735
31 L A 3.8861
32 L A 3.6904
33 L A 2.8087
34 A A 1.1413
35 G A -0.0028
36 P A -0.4252
37 G A -0.6628
38 A A -0.2946
39 A A -0.4559
40 A A -0.8817
41 P A -0.3137
42 P A -0.8719
43 C A -0.5439
44 L A 0.4233
45 D A -1.2979
46 G A -0.9359
47 S A -1.0855
48 P A -1.0529
49 C A -1.3873
50 A A -1.4088
51 N A -1.6833
52 G A -1.2897
53 G A 0.0000
54 R A -1.6561
55 C A 0.0000
56 T A -0.7655
57 Q A -1.3872
58 L A -1.1052
59 P A -1.1975
60 S A -1.6842
61 R A -2.8681
62 E A -2.7201
63 A A -1.5065
64 A A -1.2425
65 C A -0.8399
66 L A 0.5045
67 C A -0.3585
68 P A -0.1922
69 P A -0.4464
70 G A -1.0129
71 W A -0.9092
72 V A -0.9054
73 G A -1.0700
74 E A -2.1391
75 R A -2.2590
76 C A 0.0000
77 Q A -1.8202
78 L A -1.5585
79 E A -2.2975
80 D A -1.6870
81 P A -1.4607
82 C A -1.0651
83 H A -1.6476
84 S A -1.1452
85 G A -0.5587
86 P A -0.4113
87 C A -0.2326
88 A A 0.1951
89 G A 0.1673
90 C A 0.9061
91 G A 0.1613
92 V A 1.0584
93 C A -0.0304
94 Q A -1.0670
95 S A -0.7041
96 S A -0.2325
97 V A 0.5587
98 V A 1.5130
99 A A 0.6017
100 G A -0.2391
101 T A -0.1713
102 A A 0.0000
103 R A -1.5064
104 F A -0.8117
105 S A -0.9692
106 C A -0.7154
107 R A -1.4337
108 C A -0.5853
109 P A -0.6663
110 R A -1.7480
111 G A -0.3185
112 F A 0.1633
113 R A -0.6160
114 G A -0.5418
115 P A -0.7635
116 D A -0.7947
117 C A 0.0000
118 S A -0.0714
119 L A 0.4551
120 P A 0.1295
121 D A -0.1271
122 P A 0.1160
123 C A 0.3123
124 L A 0.5698
125 S A 0.1705
126 S A -0.1999
127 P A -0.3795
128 C A -1.1403
129 A A -1.6768
130 H A -1.7330
131 G A -1.3127
132 A A -1.5609
133 R A -1.8377
134 C A -0.2378
135 S A -0.0131
136 V A 0.1838
137 G A -0.5573
138 P A -1.1859
139 D A -2.2380
140 G A -1.4792
141 R A -1.8704
142 F A -0.4034
143 L A 0.3338
144 C A -0.6445
145 S A -0.8919
146 C A -1.3250
147 P A -0.8249
148 P A -0.4934
149 G A 0.0000
150 Y A -1.8223
151 Q A -2.4404
152 G A -2.4986
153 R A -2.3484
154 S A -1.8859
155 C A 0.0000
156 R A -2.9693
157 S A -2.3174
158 D A -1.9672
159 V A -1.1091
160 D A -1.0602
161 E A -1.3326
162 C A -1.3831
163 R A -1.7182
164 V A 0.1637
165 G A -1.0061
166 E A -2.3846
167 P A -1.7678
168 C A 0.0000
169 R A -3.0059
170 H A -2.1086
171 G A -1.7637
172 G A -1.7405
173 T A -1.2875
174 C A -1.4331
175 L A -0.4846
176 N A -1.1662
177 T A -0.7891
178 P A -0.9592
179 G A -1.0698
180 S A -0.7903
181 F A -0.9147
182 R A -1.8646
183 C A -1.6911
184 Q A -1.5469
185 C A -1.2621
186 P A -0.6381
187 A A 0.0222
188 G A 0.1268
189 Y A -0.5109
190 T A -0.6667
191 G A -0.9125
192 P A -1.0935
193 L A -1.3800
194 C A 0.0000
195 E A -1.7323
196 N A -1.5249
197 P A -0.4493
198 A A 0.4156
199 V A 1.1710
200 P A 0.0597
201 C A -0.2119
202 A A 0.3001
203 P A 0.0461
204 S A -0.6890
205 P A -1.1694
206 C A -2.1661
207 R A -2.9100
208 N A -2.0686
209 G A -1.3587
210 G A -1.5754
211 T A -1.2095
212 C A -1.8571
213 R A -2.9423
214 Q A -2.4077
215 S A -1.8038
216 G A -1.2914
217 D A -1.2063
218 L A 0.5011
219 T A -0.6009
220 Y A -1.6424
221 D A -2.8632
222 C A 0.0000
223 A A -0.9480
224 C A -0.8687
225 L A 0.0266
226 P A -0.1143
227 G A -0.6894
228 F A -1.3267
229 E A -2.2256
230 G A -2.0796
231 Q A -2.3669
232 N A -2.3686
233 C A 0.0000
234 E A -2.3786
235 V A -1.1666
236 N A -1.3916
237 V A -1.1658
238 D A -1.8640
239 D A -1.9648
240 C A -1.4699
241 P A -1.3843
242 G A -1.3643
243 H A -1.6071
244 R A -1.9826
245 C A -0.9251
246 L A 0.1294
247 N A -0.6608
248 G A -0.5887
249 G A -0.7780
250 T A -0.5770
251 C A -0.7371
252 V A -0.1865
253 D A -0.9171
254 G A -0.3419
255 V A 0.4959
256 N A -0.9354
257 T A -0.7402
258 Y A -1.2891
259 N A -1.7615
260 C A -1.2487
261 Q A -1.3648
262 C A -1.1048
263 P A -0.7722
264 P A -0.7146
265 E A -1.0841
266 W A -1.1192
267 T A -1.3382
268 G A -1.5828
269 Q A -1.8744
270 F A -1.3233
271 C A 0.0000
272 T A -1.1986
273 E A -2.0808
274 D A -1.4295
275 V A -0.8829
276 D A -1.0125
277 E A -1.1805
278 C A -1.0335
279 Q A -1.2002
280 L A -0.0065
281 Q A -1.4640
282 P A -1.5007
283 N A -2.1127
284 A A -1.4575
285 C A 0.0000
286 H A -2.1108
287 N A -1.6511
288 G A -0.7480
289 G A -1.0003
290 T A 0.0000
291 C A -0.4013
292 F A 0.1403
293 N A -0.5544
294 T A 0.1269
295 L A 0.7494
296 G A -0.3901
297 G A -0.3217
298 H A -0.6332
299 S A -0.5236
300 C A -0.3075
301 V A 0.0179
302 C A -0.8687
303 V A 0.0000
304 N A -0.9814
305 G A 0.0000
306 W A -0.6932
307 T A -1.1893
308 G A -1.4387
309 E A -2.2342
310 S A -1.7103
311 C A 0.0000
312 S A -1.6109
313 Q A -1.9326
314 N A -1.3111
315 I A -0.7234
316 D A -1.9337
317 D A -0.8584
318 C A -0.3148
319 A A -0.1627
320 T A 0.0615
321 A A 0.8795
322 V A 1.8603
323 C A 1.4233
324 F A 0.4979
325 H A -0.8809
326 G A -0.5407
327 A A 0.0970
328 T A 0.2217
329 C A 0.5060
330 H A -0.7255
331 D A -1.2283
332 R A -1.4937
333 V A -0.1149
334 A A -0.3347
335 S A -0.4406
336 F A 0.4127
337 Y A 1.3053
338 C A 0.0000
339 A A 0.6781
340 C A 0.5082
341 P A 0.1709
342 M A 0.8605
343 G A 0.0209
344 K A -0.9922
345 T A -0.7679
346 G A 0.2278
347 L A 1.9137
348 L A 1.5365
349 C A 0.0000
350 H A -0.8090
351 L A -1.3501
352 D A -2.2143
353 D A -1.4889
354 A A -1.2985
355 C A -0.4984
356 V A 0.4614
357 S A -0.2248
358 N A -1.0531
359 P A -1.0415
360 C A -1.2723
361 H A -2.2056
362 E A -2.8593
363 D A -2.3708
364 A A -0.8468
365 I A 0.9929
366 C A -0.0088
367 D A -1.1971
368 T A 0.0000
369 N A -1.0803
370 P A -0.4936
371 V A 0.6343
372 N A -1.1883
373 G A -1.8680
374 R A -2.4591
375 A A 0.0000
376 I A 0.0208
377 C A -0.1640
378 T A 0.3852
379 C A -0.2887
380 P A 0.0000
381 P A -0.4385
382 G A -0.7857
383 F A -1.4724
384 T A -1.2340
385 G A -1.4107
386 G A -0.8423
387 A A -1.2722
388 C A 0.0000
389 D A -2.9777
390 Q A -2.5878
391 D A -2.0101
392 V A -1.0203
393 D A -1.0854
394 E A -0.2723
395 C A -0.1337
396 S A 0.0973
397 I A 1.2092
398 G A 0.1896
399 A A -0.4565
400 N A -1.4916
401 P A -0.9832
402 C A 0.0000
403 E A -2.4825
404 H A -1.8272
405 L A -0.1727
406 G A 0.0000
407 R A -2.1326
408 C A 0.0000
409 V A 0.1616
410 N A -0.4434
411 T A -0.4525
412 Q A -1.6705
413 G A -1.2991
414 S A -0.2788
415 F A 0.4491
416 L A 0.9690
417 C A -0.8631
418 Q A -1.4857
419 C A -1.6418
420 G A -1.3717
421 R A -2.0576
422 G A -1.4411
423 Y A -1.4280
424 T A -1.6529
425 G A -1.4481
426 P A -1.0558
427 R A -2.3363
428 C A 0.0000
429 E A -2.4801
430 T A -1.8666
431 D A -2.2310
432 V A -1.1782
433 N A -1.0607
434 E A -1.1880
435 C A -0.3226
436 L A 0.7229
437 S A -0.2593
438 G A -0.5240
439 P A -0.3665
440 C A -0.6918
441 R A -2.1038
442 N A -2.0395
443 Q A -1.6899
444 A A -0.3531
445 T A 0.2595
446 C A 0.3342
447 L A -0.0138
448 D A -1.4866
449 R A -1.6264
450 I A -0.3087
451 G A 0.0000
452 Q A -1.6151
453 F A -0.5977
454 T A 0.1773
455 C A 0.9115
456 I A 2.0041
457 C A 0.9430
458 M A 0.3919
459 A A 0.3578
460 G A -0.6625
461 F A 0.0000
462 T A 0.0070
463 G A 0.0797
464 T A 0.3732
465 Y A 0.4148
466 C A 0.0000
467 E A -0.8162
468 V A -0.1898
469 D A -1.7106
470 I A -1.5136
471 D A -3.2396
472 E A -3.0015
473 C A -2.2007
474 Q A -2.2765
475 S A -1.3605
476 S A -0.5191
477 P A -0.1313
478 C A 0.3081
479 V A 0.5667
480 N A -0.7095
481 G A -0.2393
482 G A 0.3702
483 V A 1.2309
484 C A -0.5504
485 K A -2.2689
486 D A -3.5954
487 R A -2.8672
488 V A -0.5760
489 N A -1.5216
490 G A -1.4752
491 F A -1.5056
492 S A -0.7416
493 C A 0.2020
494 T A 0.2975
495 C A 0.3734
496 P A -0.3723
497 S A -1.0025
498 G A -1.9834
499 F A -1.0289
500 S A -0.4139
501 G A -0.5259
502 S A -0.2288
503 T A 0.0651
504 C A 0.0000
505 Q A -0.9517
506 L A -0.2424
507 D A -2.4550
508 V A -1.8552
509 D A -2.9402
510 E A -2.8207
511 C A -1.7393
512 A A -1.0181
513 S A -0.7217
514 T A -0.8866
515 P A -0.7491
516 C A 0.0000
517 R A -2.8695
518 N A -3.0584
519 G A -2.3004
520 A A -2.8666
521 K A -2.9334
522 C A -2.2459
523 V A -1.9717
524 D A -3.3725
525 Q A -3.0008
526 P A -2.6298
527 D A -2.9448
528 G A -2.2227
529 Y A -2.1166
530 E A -2.2838
531 C A -2.2837
532 R A -2.9183
533 C A -2.9780
534 A A -2.0142
535 E A -1.9162
536 G A -1.1243
537 F A -2.4801
538 E A -3.4033
539 G A -1.9824
540 T A -1.4405
541 L A -1.7929
542 C A 0.0000
543 D A -3.6486
544 R A -3.7398
545 N A -2.3001
546 V A -1.6441
547 D A -2.3112
548 D A -1.4582
549 C A -1.7731
550 S A -1.6516
551 P A -1.5867
552 D A -2.7461
553 P A -1.9539
554 C A 0.0000
555 H A -2.6089
556 H A -2.0647
557 G A -1.8937
558 R A -2.2682
559 C A -1.3548
560 V A -0.3220
561 D A -0.9902
562 G A 0.2852
563 I A 1.1971
564 A A 0.0005
565 S A 0.0664
566 F A -0.1252
567 S A -0.3411
568 C A -1.1876
569 A A -0.5208
570 C A -0.9896
571 A A -0.8536
572 P A -0.4991
573 G A -0.9836
574 Y A -1.1374
575 T A -1.0850
576 G A -1.3600
577 T A -1.0788
578 R A -2.4243
579 C A 0.0000
580 E A -2.7880
581 S A -1.9248
582 Q A -1.8198
583 V A -1.6947
584 D A -2.6000
585 E A -2.8016
586 C A 0.0000
587 R A -3.0712
588 S A -2.0490
589 Q A -2.7304
590 P A -1.5849
591 C A -1.8129
592 R A -2.8645
593 H A -1.8230
594 G A -2.0681
595 G A -2.2617
596 K A -2.8316
597 C A 0.0000
598 L A -1.0545
599 D A -2.0714
600 L A -0.3164
601 V A -0.0685
602 D A -2.2096
603 K A -1.9331
604 Y A -0.7370
605 L A 0.5129
606 C A -0.8874
607 R A -2.0465
608 C A -1.3228
609 P A -1.3301
610 S A -0.5538
611 G A -0.9435
612 T A 0.0000
613 T A -0.0315
614 G A 0.3320
615 V A 1.3854
616 N A -0.5472
617 C A 0.0000
618 E A -0.7475
619 V A 0.4049
620 N A -1.0852
621 I A -0.6513
622 D A -2.4395
623 D A -2.9991
624 C A 0.0000
625 A A -1.1404
626 S A -1.2292
627 N A -1.4665
628 P A -0.4958
629 C A 0.0445
630 T A 0.5155
631 F A 1.3233
632 G A 0.6398
633 V A 0.8441
634 C A 0.0000
635 R A -2.6627
636 D A -2.8019
637 G A -2.1465
638 I A -0.9511
639 N A -2.2616
640 R A -3.2168
641 Y A -2.6945
642 D A -2.1738
643 C A -0.1423
644 V A 1.1028
645 C A 0.6385
646 Q A -0.9677
647 P A -1.2727
648 G A 0.0000
649 F A -0.4801
650 T A 0.3628
651 G A 0.3878
652 P A -0.0330
653 L A 0.8743
654 C A 0.0000
655 N A -0.2241
656 V A 0.6181
657 E A -1.4843
658 I A -0.9067
659 N A -1.8945
660 E A -1.8186
661 C A -0.9391
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1968 Q A -1.8447
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1972 E A -2.5038
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 -2.1912
1982 E A -2.0885
1983 G A -1.5419
1984 S A 0.0000
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1986 E A -1.6239
1987 A A 0.0000
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1990 L A -0.8849
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.6167
1994 H A -0.6639
1995 F A 0.3963
1996 A A 0.0000
1997 N A -1.2222
1998 R A -1.5846
1999 E A -2.1629
2000 I A -1.5931
2001 T A -1.7562
2002 D A 0.0000
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2006 R A -1.5895
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2009 R A -3.0476
2010 D A -2.7316
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -2.9499
2014 E A -3.1826
2015 R A -2.9043
2016 L A -0.8665
2017 H A -2.0766
2018 Q A -2.3876
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2246 T A 0.9047
2247 P A -0.3087
2248 S A -0.9856
2249 P A -1.4067
2250 E A -2.4076
2251 S A -1.9213
2252 P A -1.6216
2253 E A -2.6078
2254 H A -2.1836
2255 W A -2.0603
2256 A A -2.1223
2257 S A -2.2664
2258 P A -1.6286
2259 S A -1.1852
2260 P A -0.9730
2261 P A -0.2290
2262 S A 0.2919
2263 L A 0.8510
2264 S A -0.0729
2265 D A -1.1951
2266 W A -0.2445
2267 S A -1.0434
2268 E A -2.0121
2269 S A -1.2783
2270 T A -0.8244
2271 P A -0.6930
2272 S A -0.4825
2273 P A -0.4109
2274 A A -0.1707
2275 T A -0.1764
2276 A A -0.1290
2277 T A -0.1772
2278 G A -0.1868
2279 A A 0.3449
2280 M A 0.9558
2281 A A 0.4815
2282 T A 0.0682
2283 T A -0.1209
2284 T A -0.1615
2285 G A -0.1851
2286 A A 0.4856
2287 L A 1.2226
2288 P A 0.1579
2289 A A -0.1666
2290 Q A -0.8994
2291 P A 0.0070
2292 L A 1.4401
2293 P A 1.1948
2294 L A 2.1227
2295 S A 1.4690
2296 V A 1.8539
2297 P A 0.3859
2298 S A 0.2365
2299 S A 0.4956
2300 L A 1.1604
2301 A A 0.2016
2302 Q A -1.0878
2303 A A -1.2660
2304 Q A -1.7655
2305 T A -1.0159
2306 Q A -0.8449
2307 L A 0.6316
2308 G A -0.3170
2309 P A -0.9703
2310 Q A -1.7718
2311 P A -1.5334
2312 E A -1.4401
2313 V A 0.4374
2314 T A -0.4823
2315 P A -1.3300
2316 K A -2.7702
2317 R A -3.0190
2318 Q A -1.1629
2319 V A 1.2747
2320 L A 2.1679
2321 A A 1.2876
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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 -0.0773 7.2242 View CSV PDB
4.5 -0.1611 7.2242 View CSV PDB
5.0 -0.2621 7.2242 View CSV PDB
5.5 -0.366 7.2242 View CSV PDB
6.0 -0.4603 7.2242 View CSV PDB
6.5 -0.5378 7.2242 View CSV PDB
7.0 -0.5988 7.2242 View CSV PDB
7.5 -0.6484 7.2242 View CSV PDB
8.0 -0.6901 7.2242 View CSV PDB
8.5 -0.7223 7.2242 View CSV PDB
9.0 -0.7412 7.2242 View CSV PDB