Project name: P590S

Status: done

Started: 2026-05-14 06:11:03
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQSCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:27:17)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/52423418c3ff8ef/tmp/folded.pdb                (00:27:17)
[INFO]       Main:     Simulation completed successfully.                                          (01:02:51)
Show buried residues

Minimal score value
-4.8786
Maximal score value
5.617
Average score
-0.7629
Total score value
-1770.6699

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 0.7164
2 G A -0.1722
3 P A -0.6623
4 G A -1.0567
5 A A -1.4989
6 R A -2.7830
7 G A -2.8841
8 R A -4.0403
9 R A -4.6158
10 R A -4.8786
11 R A -4.8122
12 R A -4.2799
13 R A -3.2926
14 P A -1.4322
15 M A -0.0361
16 S A -0.2203
17 P A -0.3519
18 P A -0.5154
19 P A -0.6971
20 P A -0.7168
21 P A -0.3910
22 P A -0.3762
23 P A -0.1672
24 V A 0.8764
25 R A -0.6291
26 A A 0.5731
27 L A 1.8515
28 P A 1.8138
29 L A 3.3521
30 L A 3.9384
31 L A 3.9977
32 L A 3.7366
33 L A 2.8600
34 A A 1.1902
35 G A -0.0078
36 P A -0.4597
37 G A -0.6732
38 A A -0.2916
39 A A -0.7537
40 A A -1.1144
41 P A -0.9032
42 P A -1.0756
43 C A -0.7278
44 L A 0.3857
45 D A -1.3675
46 G A -1.0003
47 S A -1.1034
48 P A 0.0000
49 C A -1.5128
50 A A -1.4900
51 N A -1.7415
52 G A -1.3236
53 G A 0.0000
54 R A -1.6960
55 C A 0.0000
56 T A -0.7273
57 Q A -1.4196
58 L A -0.9235
59 P A -1.1139
60 S A -1.6539
61 R A -2.8844
62 E A -2.8059
63 A A -1.5629
64 A A -1.1802
65 C A -0.8974
66 L A 0.5393
67 C A -0.2187
68 P A -0.1819
69 P A -0.4266
70 G A -0.9868
71 W A -0.8717
72 V A -0.8739
73 G A -1.1197
74 E A -2.2609
75 R A -2.5378
76 C A 0.0000
77 Q A -1.8879
78 L A -1.5777
79 E A -2.3020
80 D A -1.5962
81 P A -1.3691
82 C A -0.9772
83 H A -1.5238
84 S A -1.1431
85 G A -0.8570
86 P A -0.3838
87 C A -0.7738
88 A A -0.5276
89 G A -0.9982
90 R A -1.6327
91 G A -1.0409
92 V A 0.4626
93 C A -0.2817
94 Q A -0.8578
95 S A -0.5134
96 S A -0.0253
97 V A 0.7862
98 V A 1.5898
99 A A 0.6317
100 G A -0.1786
101 T A -0.1721
102 A A 0.0000
103 R A -1.3664
104 F A -0.5740
105 S A -0.8544
106 C A -0.9233
107 R A -1.7513
108 C A -1.0867
109 P A -1.2586
110 R A -1.8358
111 G A -0.4669
112 F A -0.3333
113 R A -0.6266
114 G A -0.5994
115 P A -0.7681
116 D A -0.8002
117 C A 0.0000
118 S A -0.1037
119 L A 0.4694
120 P A 0.0500
121 D A -0.2646
122 P A 0.0152
123 C A 0.1654
124 L A 0.3085
125 S A 0.0558
126 S A -0.2578
127 P A -0.4159
128 C A -1.1174
129 A A -1.5249
130 H A -1.7469
131 G A -1.3049
132 A A -1.4158
133 R A -1.8137
134 C A -0.4302
135 S A -0.0773
136 V A 0.1178
137 G A 0.0000
138 P A -1.1792
139 D A -2.2186
140 G A -1.4535
141 R A -1.8177
142 F A -0.4777
143 L A 0.2385
144 C A -0.6337
145 S A -0.8634
146 C A -1.2537
147 P A -0.7962
148 P A -0.5219
149 G A -0.9096
150 Y A -1.8009
151 Q A -2.4263
152 G A -2.4947
153 R A -2.3752
154 S A -1.7135
155 C A 0.0000
156 R A -2.9778
157 S A -2.3623
158 D A -2.1022
159 V A -1.3263
160 D A -1.2267
161 E A -1.6920
162 C A -1.5468
163 R A -1.7891
164 V A 0.0369
165 G A -1.1055
166 E A -2.3452
167 P A -1.6615
168 C A 0.0000
169 R A -2.9676
170 H A -2.1328
171 G A -1.7308
172 G A -1.7440
173 T A -1.2867
174 C A -1.4331
175 L A -0.7928
176 N A -1.1762
177 T A -0.7977
178 P A -1.0278
179 G A -1.1630
180 S A -0.8629
181 F A -0.9269
182 R A -1.8353
183 C A -1.6139
184 Q A -1.5137
185 C A -1.2337
186 P A -0.6417
187 A A 0.1556
188 G A 0.1170
189 Y A -0.5089
190 T A -0.6783
191 G A -0.9363
192 P A -1.0722
193 L A -1.3469
194 C A 0.0000
195 E A -1.7177
196 N A -1.5236
197 P A -0.4948
198 A A 0.4004
199 V A 1.1488
200 P A 0.0000
201 C A -0.2343
202 A A 0.2940
203 P A 0.0269
204 S A -0.7108
205 P A -1.0618
206 C A 0.0000
207 R A -2.9688
208 N A -1.9755
209 G A -1.2060
210 G A -1.5768
211 T A -1.2180
212 C A -1.8633
213 R A -2.9356
214 Q A -2.4095
215 S A -1.7769
216 G A -1.4503
217 D A -1.2248
218 L A 0.5049
219 T A -0.5978
220 Y A -1.6164
221 D A -2.8231
222 C A 0.0000
223 A A -0.9402
224 C A -0.8920
225 L A 0.0793
226 P A -0.0245
227 G A -0.4330
228 F A -1.1124
229 E A -2.1007
230 G A -1.8960
231 Q A -2.4032
232 N A -2.3725
233 C A 0.0000
234 E A -2.3126
235 V A -1.0305
236 N A -0.8029
237 V A -0.8012
238 D A -1.6978
239 D A -1.8509
240 C A -1.6422
241 P A -1.3850
242 G A -1.3651
243 H A -1.6488
244 R A -2.0992
245 C A 0.0000
246 L A 0.0858
247 N A -0.8713
248 G A -0.6294
249 G A -0.8166
250 T A -0.6279
251 C A -0.8289
252 V A -0.3436
253 D A -0.9976
254 G A -0.2890
255 V A 0.6522
256 N A -0.8122
257 T A -0.7595
258 Y A -1.3641
259 N A -1.8028
260 C A -1.3223
261 Q A -1.3993
262 C A -1.1738
263 P A -0.7010
264 P A -0.8039
265 E A -1.4211
266 W A -1.2873
267 T A -1.5904
268 G A -1.5143
269 Q A -1.9250
270 F A -1.3811
271 C A 0.0000
272 T A -1.2005
273 E A -2.1267
274 D A -1.4658
275 V A -1.2994
276 D A -1.7436
277 E A -1.5748
278 C A -1.0671
279 Q A -1.3664
280 L A -0.2762
281 Q A -1.6406
282 P A -1.5252
283 N A -2.1695
284 A A -1.4614
285 C A 0.0000
286 H A -2.0157
287 N A -1.5947
288 G A -0.9106
289 G A -0.1152
290 T A 0.7210
291 C A 0.3621
292 F A 1.4803
293 N A -0.1459
294 T A 0.3110
295 L A 0.6830
296 G A -0.5313
297 G A -0.3721
298 H A -0.5057
299 S A 0.1340
300 C A 0.7162
301 V A 1.9662
302 C A 0.4648
303 V A 0.7330
304 N A -0.3020
305 G A 0.0000
306 W A -0.4405
307 T A -0.8049
308 G A -1.2775
309 E A -2.0244
310 S A -1.5192
311 C A 0.0000
312 S A -1.5927
313 Q A -1.8867
314 N A -1.0395
315 I A -0.5151
316 D A -1.5839
317 D A -0.7031
318 C A -0.2770
319 A A -0.2078
320 T A 0.1027
321 A A 0.6808
322 V A 1.7389
323 C A 1.4069
324 F A 0.8938
325 H A -0.8842
326 G A -0.5494
327 A A 0.0438
328 T A 0.1415
329 C A 0.2983
330 H A -0.4956
331 D A -0.7625
332 R A -0.3330
333 V A 0.5013
334 A A 0.0080
335 S A -0.1304
336 F A 0.4075
337 Y A 0.8639
338 C A 0.0000
339 A A 0.0000
340 C A 0.4771
341 P A 0.0383
342 M A 0.6604
343 G A -0.1627
344 K A -1.0044
345 T A -0.3461
346 G A 0.5677
347 L A 2.1941
348 L A 1.4689
349 C A 0.0000
350 H A -0.2998
351 L A -1.2021
352 D A -2.4531
353 D A -1.2929
354 A A -1.0789
355 C A -0.2545
356 V A 0.6902
357 S A -0.1545
358 N A -1.1042
359 P A -0.7015
360 C A -1.3228
361 H A -2.3879
362 E A -3.0154
363 D A -2.5961
364 A A -1.1518
365 I A 0.2352
366 C A 0.1820
367 D A -0.1169
368 T A 0.0000
369 N A -1.0091
370 P A -0.1558
371 V A 0.6082
372 N A -1.3688
373 G A -1.8620
374 R A -2.2971
375 A A -1.1007
376 I A 0.2031
377 C A -0.1659
378 T A 0.2937
379 C A -0.5103
380 P A -0.4860
381 P A -0.5215
382 G A -0.9070
383 F A -1.4729
384 T A -1.2320
385 G A -1.4228
386 G A -0.9975
387 A A -1.3175
388 C A 0.0000
389 D A -2.9984
390 Q A -2.6111
391 D A -2.0988
392 V A -1.1731
393 D A -1.2979
394 E A -0.8392
395 C A 0.0000
396 S A -0.4978
397 I A 0.4142
398 G A -0.1786
399 A A -0.4964
400 N A -1.0423
401 P A -0.8097
402 C A 0.0000
403 E A -2.1906
404 H A -1.2080
405 L A 0.1387
406 G A 0.0000
407 R A -1.7418
408 C A 0.0000
409 V A 0.0375
410 N A -0.6047
411 T A -0.6096
412 Q A -1.7283
413 G A -1.2154
414 S A -0.4955
415 F A 0.1015
416 L A 0.6446
417 C A -0.7606
418 Q A -1.4722
419 C A -1.6053
420 G A -1.1969
421 R A -1.9740
422 G A -1.3383
423 Y A -1.4140
424 T A -1.6486
425 G A -1.6051
426 P A -1.3328
427 R A -2.5529
428 C A 0.0000
429 E A -2.8506
430 T A -2.0329
431 D A -2.2269
432 V A -1.0662
433 N A -0.8988
434 E A -1.0326
435 C A -0.2249
436 L A 0.9049
437 S A 0.0755
438 G A -0.5022
439 P A -0.3242
440 C A -0.8112
441 R A -2.3820
442 N A -2.1167
443 Q A -1.7369
444 A A -0.4677
445 T A 0.2218
446 C A 0.2942
447 L A 0.1035
448 D A -1.2031
449 R A -1.5324
450 I A -0.1439
451 G A 0.0000
452 Q A -1.5413
453 F A -0.5553
454 T A 0.1522
455 C A 0.8914
456 I A 2.0309
457 C A 0.7939
458 M A 0.1925
459 A A 0.3039
460 G A 0.0000
461 F A -0.2193
462 T A 0.1481
463 G A -0.0240
464 T A 0.2416
465 Y A 0.2271
466 C A 0.0000
467 E A -1.0925
468 V A -0.2982
469 D A -1.6803
470 I A -1.1435
471 D A -2.7769
472 E A -2.3512
473 C A -1.8736
474 Q A -2.0249
475 S A -1.1876
476 S A -0.4123
477 P A -0.0647
478 C A 0.2888
479 V A 0.5333
480 N A -0.7319
481 G A -0.2528
482 G A 0.3749
483 V A 1.2486
484 C A -0.4402
485 K A -2.1509
486 D A -3.4053
487 R A -2.7480
488 V A -0.4495
489 N A -1.3449
490 G A -1.2998
491 F A -1.4315
492 S A -0.7123
493 C A 0.2124
494 T A 0.3813
495 C A 0.3547
496 P A -0.3527
497 S A -0.9879
498 G A -1.9804
499 F A -1.0475
500 S A -0.6248
501 G A -0.5397
502 S A -0.2391
503 T A 0.0447
504 C A 0.0000
505 Q A -0.9979
506 L A -0.3688
507 D A -2.5529
508 V A -1.9808
509 D A -3.0036
510 E A -2.8431
511 C A -1.7661
512 A A -1.0446
513 S A -0.7284
514 T A -0.9514
515 P A -0.8315
516 C A 0.0000
517 R A -3.2073
518 N A -3.2084
519 G A -2.4070
520 A A -2.8834
521 K A -2.9679
522 C A -2.2868
523 V A -1.9726
524 D A -3.4046
525 Q A -2.9795
526 P A -2.6047
527 D A -2.9635
528 G A -2.2394
529 Y A -2.1147
530 E A -2.2882
531 C A -2.2590
532 R A -2.8337
533 C A -2.8760
534 A A -1.9900
535 E A -1.8825
536 G A -1.1338
537 F A -2.3999
538 E A -2.9260
539 G A -2.0722
540 T A -1.4061
541 L A -1.7837
542 C A 0.0000
543 D A -3.6746
544 R A -3.7480
545 N A -2.4650
546 V A -1.6749
547 D A -2.3068
548 D A -1.4866
549 C A -1.7259
550 S A -1.6534
551 P A -1.5786
552 D A -2.7075
553 P A -1.9503
554 C A 0.0000
555 H A -2.6087
556 H A -2.0629
557 G A -1.8541
558 R A -2.2021
559 C A -1.2341
560 V A -0.0887
561 D A -0.8826
562 G A 0.3006
563 I A 1.1091
564 A A -0.0865
565 S A 0.0677
566 F A -0.0793
567 S A -0.2790
568 C A -1.1200
569 A A -0.4644
570 C A -0.9842
571 A A -0.8444
572 P A -0.6755
573 G A -0.8599
574 Y A -1.0698
575 T A -1.0163
576 G A -1.3375
577 T A -1.0632
578 R A -2.3820
579 C A 0.0000
580 E A -2.7924
581 S A -1.8587
582 Q A -1.6688
583 V A -1.3369
584 D A -1.9996
585 E A -2.3245
586 C A -2.2376
587 R A -2.8330
588 S A -1.9323
589 Q A -2.6406
590 S A -1.5896
591 C A -1.9619
592 R A -2.7579
593 H A -1.6500
594 G A -2.0921
595 G A -2.2073
596 K A -2.7651
597 C A -1.8151
598 L A -0.8955
599 D A -1.9032
600 L A -0.1872
601 V A 0.0590
602 D A -2.0715
603 K A -1.8530
604 Y A -0.7072
605 L A 0.3727
606 C A -0.9673
607 R A -2.0110
608 C A -1.2194
609 P A -1.2013
610 S A -0.5660
611 G A -0.6974
612 T A 0.0000
613 T A 0.0099
614 G A 0.2283
615 V A 1.3664
616 N A -0.5060
617 C A 0.0000
618 E A -0.6257
619 V A 0.4652
620 N A -0.7526
621 I A -0.3315
622 D A -2.2560
623 D A -2.7922
624 C A -2.0020
625 A A -1.0781
626 S A -1.1980
627 N A -1.3341
628 P A -0.4077
629 C A 0.0000
630 T A 0.5974
631 F A 1.4592
632 G A 0.9694
633 V A 1.3777
634 C A -0.3186
635 R A -2.5749
636 D A -2.6763
637 G A -2.0520
638 I A -0.6434
639 N A -2.0892
640 R A -3.0254
641 Y A -2.6121
642 D A -2.0999
643 C A 0.0023
644 V A 1.1651
645 C A 0.7289
646 Q A -0.6950
647 P A -1.2134
648 G A -1.6101
649 F A -0.3072
650 T A 0.4559
651 G A 0.3157
652 P A 0.0228
653 L A 0.9899
654 C A 0.0000
655 N A -0.1176
656 V A 0.8414
657 E A -1.3571
658 I A -0.8708
659 N A -2.0373
660 E A -2.3894
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1982 E A -0.9965
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1995 F A -0.4245
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1997 N A -1.0419
1998 R A -1.5250
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2000 I A -1.5092
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2012 A A 0.0000
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2246 T A 0.8291
2247 P A 0.0638
2248 S A -0.9518
2249 P A -1.4142
2250 E A -2.1741
2251 S A -1.7840
2252 P A -1.9770
2253 E A -2.2053
2254 H A -1.3429
2255 W A 0.1739
2256 A A 0.2336
2257 S A -0.1733
2258 P A -0.4144
2259 S A -0.5937
2260 P A -0.4717
2261 P A -0.2522
2262 S A 0.2906
2263 L A 0.8396
2264 S A -0.1588
2265 D A -1.0196
2266 W A -0.2847
2267 S A -0.9339
2268 E A -1.8243
2269 S A -1.2921
2270 T A -0.7751
2271 P A -0.7071
2272 S A -0.5001
2273 P A -0.4057
2274 A A -0.1660
2275 T A -0.1302
2276 A A -0.1281
2277 T A -0.1643
2278 G A -0.2416
2279 A A 0.3570
2280 M A 0.9821
2281 A A 0.4896
2282 T A 0.1360
2283 T A -0.1261
2284 T A -0.3678
2285 G A -0.1796
2286 A A 0.5428
2287 L A 1.2434
2288 P A 0.2179
2289 A A -0.0851
2290 Q A -0.7727
2291 P A 0.0325
2292 L A 1.3696
2293 P A 1.2032
2294 L A 2.1680
2295 S A 1.4231
2296 V A 1.8694
2297 P A 0.7777
2298 S A 0.2563
2299 S A 0.4397
2300 L A 1.0377
2301 A A 0.0397
2302 Q A -0.9529
2303 A A -1.0720
2304 Q A -1.5493
2305 T A -1.0023
2306 Q A -0.8990
2307 L A 0.3673
2308 G A -0.4824
2309 P A -1.1186
2310 Q A -1.5688
2311 P A -1.4577
2312 E A -1.3912
2313 V A 0.5766
2314 T A -0.1521
2315 P A -1.1197
2316 K A -2.9938
2317 R A -3.0040
2318 Q A -1.4132
2319 V A 1.5652
2320 L A 2.2313
2321 A A 1.1999
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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 -0.0704 6.7515 View CSV PDB
4.5 -0.1562 6.7515 View CSV PDB
5.0 -0.2597 6.7515 View CSV PDB
5.5 -0.3668 6.7515 View CSV PDB
6.0 -0.4651 6.7515 View CSV PDB
6.5 -0.5466 6.7515 View CSV PDB
7.0 -0.6109 6.7515 View CSV PDB
7.5 -0.663 6.7515 View CSV PDB
8.0 -0.7064 6.7515 View CSV PDB
8.5 -0.7397 6.7515 View CSV PDB
9.0 -0.7591 6.7515 View CSV PDB