Project name: P590S_5

Status: done

Started: 2026-05-21 00:22:20
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQSCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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.  (00:00:25)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:26)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:32:37)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/159aed8752fe180/tmp/folded.pdb                (00:32:37)
[INFO]       Main:     Simulation completed successfully.                                          (01:24:35)
Show buried residues

Minimal score value
-2.5208
Maximal score value
2.5268
Average score
-0.2805
Total score value
-651.0794

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 0.9685
2 G A -0.3217
3 P A -0.4264
4 G A -0.5021
5 A A -0.3557
6 R A -1.9190
7 G A -1.1459
8 R A -2.2632
9 R A -2.5100
10 R A -2.5042
11 R A -2.5030
12 R A -2.5089
13 R A -2.2232
14 P A -0.3943
15 M A 0.9667
16 S A -0.0661
17 P A -0.3406
18 P A -0.3481
19 P A -0.3482
20 P A -0.3484
21 P A -0.3483
22 P A -0.3485
23 P A 0.0300
24 V A 1.3832
25 R A -1.5045
26 A A 0.0008
27 L A 1.5269
28 P A 0.4062
29 L A 1.8065
30 L A 2.1299
31 L A 2.1318
32 L A 2.1318
33 L A 1.8498
34 A A 0.2643
35 G A -0.5016
36 P A -0.4262
37 G A -0.5030
38 A A -0.0173
39 A A 0.0760
40 A A 0.0012
41 P A -0.2899
42 P A -0.2562
43 C A 0.3479
44 L A 1.2426
45 D A -1.5926
46 G A -0.8250
47 S A -0.2684
48 P A 0.0000
49 C A -0.1177
50 A A -0.1277
51 N A -0.9875
52 G A -0.6305
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1298
57 Q A -0.4660
58 L A 0.5932
59 P A -0.1586
60 S A -0.5853
61 R A -2.2149
62 E A -2.1559
63 A A -0.4033
64 A A 0.0289
65 C A 0.3758
66 L A 1.6074
67 C A 0.5089
68 P A -0.0714
69 P A -0.2803
70 G A -0.0775
71 W A 0.1552
72 V A 0.3039
73 G A -0.3739
74 E A -2.1055
75 R A -1.8221
76 C A 0.0000
77 Q A -0.5372
78 L A -0.2172
79 E A -1.7781
80 D A -0.5790
81 P A -0.0683
82 C A -0.0786
83 H A -1.0093
84 S A -0.4763
85 G A -0.5157
86 P A -0.1329
87 C A -0.0102
88 A A -0.0005
89 G A -0.5568
90 R A -1.8968
91 G A -0.0454
92 V A 1.7888
93 C A 0.3265
94 Q A -0.8472
95 S A -0.1215
96 S A -0.0090
97 V A 1.0728
98 V A 1.8817
99 A A 0.2904
100 G A -0.4649
101 T A -0.1348
102 A A 0.0000
103 R A -1.7081
104 F A 0.3349
105 S A -0.0618
106 C A -0.2776
107 R A -1.7860
108 C A -0.1368
109 P A -0.3422
110 R A -1.8648
111 G A -0.2491
112 F A 0.7475
113 R A -0.2050
114 G A -0.3315
115 P A -0.4243
116 D A -0.7525
117 C A 0.0000
118 S A -0.0562
119 L A 0.7741
120 P A -0.0346
121 D A -0.3243
122 P A -0.0661
123 C A 0.2253
124 L A 0.7139
125 S A -0.1168
126 S A -0.2595
127 P A -0.0722
128 C A 0.0680
129 A A -0.1262
130 H A -0.9203
131 G A -0.6163
132 A A -0.3934
133 R A -1.8136
134 C A -0.2123
135 S A -0.0520
136 V A 0.6467
137 G A 0.0000
138 P A -0.5778
139 D A -1.8483
140 G A -0.7111
141 R A -1.7220
142 F A 0.2459
143 L A 1.2743
144 C A 0.3030
145 S A -0.1470
146 C A 0.2025
147 P A -0.0734
148 P A -0.2796
149 G A -0.0952
150 Y A -0.1691
151 Q A -1.2552
152 G A -1.0294
153 R A -1.9405
154 S A -0.3792
155 C A 0.0000
156 R A -1.8832
157 S A -0.7031
158 D A -0.7853
159 V A 0.0781
160 D A -0.5261
161 E A -1.0179
162 C A -0.3951
163 R A -1.5022
164 V A 1.3848
165 G A -0.3034
166 E A -1.8861
167 P A -0.4003
168 C A 0.0000
169 R A -1.9640
170 H A -1.2869
171 G A -0.6336
172 G A -0.1184
173 T A -0.0600
174 C A 0.2360
175 L A 0.6187
176 N A -0.3371
177 T A -0.1015
178 P A -0.2710
179 G A -0.1673
180 S A -0.0868
181 F A 0.0191
182 R A -1.7432
183 C A -0.4551
184 Q A -1.1408
185 C A -0.0204
186 P A -0.0588
187 A A 0.0168
188 G A -0.0289
189 Y A 0.3697
190 T A 0.0301
191 G A -0.2217
192 P A -0.2056
193 L A 0.4098
194 C A 0.0000
195 E A -0.7552
196 N A -1.2862
197 P A -0.3968
198 A A 0.2881
199 V A 1.5186
200 P A 0.0000
201 C A 0.1404
202 A A -0.0103
203 P A -0.2666
204 S A -0.1719
205 P A -0.0836
206 C A 0.0000
207 R A -1.9965
208 N A -1.2518
209 G A -0.6227
210 G A -0.1121
211 T A -0.0608
212 C A -0.2463
213 R A -2.0495
214 Q A -1.5121
215 S A -0.4082
216 G A -0.5420
217 D A -1.5937
218 L A 0.9386
219 T A 0.2371
220 Y A -0.0744
221 D A -1.7022
222 C A 0.0000
223 A A 0.0697
224 C A 0.3874
225 L A 0.8173
226 P A -0.1156
227 G A -0.2676
228 F A -0.1807
229 E A -1.8191
230 G A -0.7691
231 Q A -1.2848
232 N A -0.4773
233 C A 0.0000
234 E A -1.1167
235 V A 0.6599
236 N A -0.0501
237 V A 0.5283
238 D A -1.7588
239 D A -1.0995
240 C A -0.0986
241 P A -0.3244
242 G A -0.6014
243 H A -0.9075
244 R A -1.9326
245 C A 0.0000
246 L A 1.2501
247 N A -0.6638
248 G A -0.6247
249 G A -0.1188
250 T A -0.0618
251 C A 0.2727
252 V A 0.8907
253 D A -0.5012
254 G A 0.1278
255 V A 1.5255
256 N A -0.9711
257 T A -0.2384
258 Y A -0.1063
259 N A -1.2145
260 C A -0.3632
261 Q A -1.1515
262 C A -0.0674
263 P A -0.0728
264 P A -0.4025
265 E A -0.7815
266 W A -0.0197
267 T A -0.2566
268 G A -0.5488
269 Q A -1.2046
270 F A 0.0768
271 C A 0.0000
272 T A -0.4026
273 E A -1.8801
274 D A -0.5182
275 V A -0.0989
276 D A -1.3918
277 E A -0.5233
278 C A -0.1657
279 Q A -0.8927
280 L A 1.0650
281 Q A -0.9622
282 P A -0.7014
283 N A -1.3179
284 A A -0.2226
285 C A 0.0000
286 H A -0.9578
287 N A -1.0124
288 G A -0.6188
289 G A -0.1308
290 T A -0.0472
291 C A 0.4706
292 F A 1.8245
293 N A -0.2358
294 T A 0.1010
295 L A 1.5088
296 G A 0.1045
297 G A -0.1681
298 H A -0.5029
299 S A -0.2404
300 C A 0.4011
301 V A 1.8243
302 C A 0.6983
303 V A 0.8641
304 N A -1.0780
305 G A 0.0000
306 W A 0.0999
307 T A -0.0388
308 G A -0.5404
309 E A -1.8690
310 S A -0.3940
311 C A 0.0000
312 S A -0.4243
313 Q A -1.2871
314 N A -0.2990
315 I A 0.6288
316 D A -1.5971
317 D A -0.7493
318 C A 0.0449
319 A A 0.0669
320 T A -0.0586
321 A A 0.2910
322 V A 1.5465
323 C A 0.6042
324 F A 0.8159
325 H A -0.8972
326 G A -0.6448
327 A A -0.0705
328 T A -0.0176
329 C A 0.1219
330 H A -0.1783
331 D A -0.5124
332 R A -0.3520
333 V A 1.0868
334 A A 0.2187
335 S A -0.0740
336 F A 0.4454
337 Y A 0.3175
338 C A 0.0000
339 A A 0.0000
340 C A 0.1365
341 P A 0.1458
342 M A 1.0247
343 G A -0.0172
344 K A -0.7945
345 T A -0.1159
346 G A 0.1887
347 L A 1.5880
348 L A 0.5832
349 C A 0.0000
350 H A -0.4092
351 L A -0.2327
352 D A -1.8807
353 D A -0.7199
354 A A -0.0303
355 C A 0.3529
356 V A 1.4246
357 S A -0.1771
358 N A -1.3321
359 P A -0.3322
360 C A 0.0116
361 H A -0.5911
362 E A -2.1941
363 D A -2.1179
364 A A -0.0795
365 I A 1.1984
366 C A 0.3006
367 D A -0.3586
368 T A 0.0000
369 N A -0.3796
370 P A -0.0027
371 V A 1.4961
372 N A -0.9714
373 G A -0.6705
374 R A -1.8624
375 A A -0.2045
376 I A 0.7351
377 C A 0.2263
378 T A -0.0139
379 C A 0.1845
380 P A -0.0347
381 P A -0.2752
382 G A -0.0696
383 F A 0.1813
384 T A -0.0589
385 G A -0.4727
386 G A -0.5323
387 A A -0.0526
388 C A 0.0000
389 D A -2.0068
390 Q A -1.6046
391 D A -0.5750
392 V A 0.0483
393 D A -0.9985
394 E A -0.9220
395 C A 0.0000
396 S A 0.1753
397 I A 1.2551
398 G A -0.2058
399 A A -0.0753
400 N A -0.2562
401 P A -0.0788
402 C A 0.0000
403 E A -1.3680
404 H A -0.3461
405 L A 1.4773
406 G A 0.0000
407 R A -1.5889
408 C A 0.0000
409 V A 0.4055
410 N A -0.2449
411 T A -0.2737
412 Q A -1.2216
413 G A -0.3574
414 S A -0.0758
415 F A 0.6270
416 L A 1.3519
417 C A 0.0863
418 Q A -1.2734
419 C A -0.0260
420 G A -0.5578
421 R A -1.9014
422 G A -0.1467
423 Y A -0.0664
424 T A -0.0441
425 G A -0.2054
426 P A -0.5667
427 R A -1.6393
428 C A 0.0000
429 E A -1.4324
430 T A -0.6327
431 D A -1.6644
432 V A 0.1713
433 N A -0.6552
434 E A -0.8516
435 C A 0.2412
436 L A 1.5272
437 S A -0.0163
438 G A -0.5118
439 P A -0.1076
440 C A -0.1627
441 R A -1.9456
442 N A -1.1944
443 Q A -1.3121
444 A A -0.1999
445 T A -0.0422
446 C A 0.2662
447 L A 0.5482
448 D A -0.9343
449 R A -1.3525
450 I A 1.7163
451 G A 0.0000
452 Q A -1.1419
453 F A -0.0182
454 T A 0.0418
455 C A 0.3883
456 I A 1.6932
457 C A 0.5863
458 M A 0.4758
459 A A 0.1379
460 G A 0.0000
461 F A -0.0188
462 T A -0.0472
463 G A -0.2674
464 T A 0.0211
465 Y A 0.7508
466 C A 0.0000
467 E A -0.6721
468 V A 0.6710
469 D A -1.3717
470 I A 0.3393
471 D A -1.4859
472 E A -0.6451
473 C A -0.1836
474 Q A -1.2192
475 S A -0.4681
476 S A -0.2588
477 P A -0.0683
478 C A 0.2475
479 V A 0.8662
480 N A -0.7721
481 G A -0.6347
482 G A 0.2005
483 V A 1.7873
484 C A 0.2394
485 K A -1.6153
486 D A -2.2805
487 R A -1.8442
488 V A 1.2059
489 N A -0.9712
490 G A -0.2260
491 F A 0.4091
492 S A 0.0984
493 C A 0.0993
494 T A -0.0005
495 C A 0.1477
496 P A -0.1102
497 S A -0.2457
498 G A -0.3723
499 F A 0.0268
500 S A -0.1040
501 G A -0.4175
502 S A -0.2806
503 T A -0.0417
504 C A 0.0000
505 Q A -0.9698
506 L A 0.6972
507 D A -1.4126
508 V A -0.0604
509 D A -1.8592
510 E A -1.2963
511 C A -0.0733
512 A A 0.0366
513 S A -0.2148
514 T A -0.1157
515 P A -0.0509
516 C A 0.0000
517 R A -1.9052
518 N A -1.4404
519 G A -0.6503
520 A A -0.3564
521 K A -1.6847
522 C A -0.1335
523 V A 0.2177
524 D A -1.7411
525 Q A -1.2294
526 P A -0.7430
527 D A -1.8681
528 G A -0.4267
529 Y A -0.0381
530 E A -1.2582
531 C A -0.5010
532 R A -1.7824
533 C A -0.0911
534 A A -0.2699
535 E A -1.8292
536 G A -0.3491
537 F A -0.0621
538 E A -1.1833
539 G A -0.5873
540 T A -0.0657
541 L A 0.3825
542 C A 0.0000
543 D A -2.0685
544 R A -2.2829
545 N A -0.8537
546 V A 0.2571
547 D A -1.7774
548 D A -0.9506
549 C A -0.2527
550 S A -0.4441
551 P A -0.6333
552 D A -1.8491
553 P A -0.3460
554 C A 0.0000
555 H A -1.0725
556 H A -0.6580
557 G A -0.5019
558 R A -1.8513
559 C A -0.0232
560 V A 1.0553
561 D A -0.6773
562 G A 0.0192
563 I A 1.9895
564 A A 0.3543
565 S A -0.0820
566 F A 0.3411
567 S A -0.0986
568 C A 0.0739
569 A A 0.1197
570 C A 0.2547
571 A A 0.0289
572 P A -0.2604
573 G A -0.3400
574 Y A 0.0187
575 T A -0.0620
576 G A -0.3029
577 T A -0.3030
578 R A -1.0152
579 C A 0.0000
580 E A -1.7513
581 S A -0.6650
582 Q A -1.0872
583 V A 0.2670
584 D A -0.6435
585 E A -0.7707
586 C A -0.3714
587 R A -1.8692
588 S A -0.7644
589 Q A -1.2438
590 S A -0.2521
591 C A -0.3013
592 R A -1.8428
593 H A -0.7857
594 G A -0.5448
595 G A -0.4212
596 K A -1.6958
597 C A -0.1615
598 L A 0.0237
599 D A -1.5391
600 L A 0.6377
601 V A 1.5977
602 D A -1.7878
603 K A -1.8781
604 Y A 0.0340
605 L A 1.1979
606 C A -0.0508
607 R A -1.7808
608 C A -0.0872
609 P A -0.0876
610 S A -0.2487
611 G A -0.2714
612 T A 0.0000
613 T A -0.0910
614 G A 0.0871
615 V A 1.6758
616 N A 0.0257
617 C A 0.0000
618 E A -0.3726
619 V A 0.8505
620 N A -0.3317
621 I A 0.8908
622 D A -1.6997
623 D A -1.1996
624 C A -0.0626
625 A A 0.0360
626 S A -0.4254
627 N A -1.3190
628 P A -0.2760
629 C A 0.0000
630 T A 0.1743
631 F A 1.3194
632 G A 0.5241
633 V A 1.7734
634 C A 0.1054
635 R A -1.9535
636 D A -0.9904
637 G A -0.2797
638 I A 0.8209
639 N A -1.4042
640 R A -1.9893
641 Y A -0.2088
642 D A -1.6753
643 C A 0.0164
644 V A 1.3051
645 C A 0.1908
646 Q A -1.2046
647 P A -0.4699
648 G A -0.2042
649 F A 0.0525
650 T A 0.1767
651 G A -0.2194
652 P A -0.1398
653 L A 0.7609
654 C A 0.0000
655 N A -0.8418
656 V A 1.2380
657 E A -1.2293
658 I A 0.7072
659 N A -1.2214
660 E A -1.2051
661 C A -0.0611
662 A A 0.0392
663 S A -0.2402
664 S A -0.2608
665 P A -0.0787
666 C A 0.0423
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1954 A A 0.0000
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1969 D A 0.0000
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1973 E A 0.0000
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
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1980 A A 0.0000
1981 R A -0.6179
1982 E A -0.8699
1983 G A -0.2915
1984 S A 0.0000
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1986 E A -1.2794
1987 A A 0.0000
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1989 K A -1.0491
1990 L A -0.1731
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8121
1994 H A -0.3707
1995 F A 1.0345
1996 A A 0.0000
1997 N A -0.4676
1998 R A -0.7544
1999 E A -1.8258
2000 I A -0.0160
2001 T A -0.1742
2002 D A 0.0000
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2007 L A 0.2679
2008 P A 0.0000
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2010 D A -1.3085
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -1.1170
2015 R A -0.4605
2016 L A 0.1164
2017 H A -0.3464
2018 Q A -1.4314
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2266 W A 0.8017
2267 S A -0.2593
2268 E A -1.9122
2269 S A -0.6778
2270 T A -0.1616
2271 P A -0.3108
2272 S A -0.3170
2273 P A -0.2888
2274 A A -0.0046
2275 T A -0.0461
2276 A A 0.0287
2277 T A -0.1457
2278 G A -0.4685
2279 A A 0.1809
2280 M A 1.0759
2281 A A 0.2413
2282 T A -0.0740
2283 T A -0.0981
2284 T A -0.1953
2285 G A -0.4714
2286 A A 0.2748
2287 L A 1.5137
2288 P A 0.0336
2289 A A -0.2102
2290 Q A -1.2333
2291 P A -0.1895
2292 L A 1.4553
2293 P A 0.3091
2294 L A 1.4617
2295 S A 0.3959
2296 V A 1.6875
2297 P A 0.0277
2298 S A -0.3065
2299 S A 0.0457
2300 L A 1.5166
2301 A A 0.1199
2302 Q A -1.1765
2303 A A -0.3869
2304 Q A -1.2010
2305 T A -0.5156
2306 Q A -0.9264
2307 L A 1.2409
2308 G A -0.2271
2309 P A -0.5572
2310 Q A -1.2911
2311 P A -0.8232
2312 E A -1.5300
2313 V A 1.4124
2314 T A 0.1931
2315 P A -0.5878
2316 K A -2.0853
2317 R A -2.4495
2318 Q A -1.3139
2319 V A 1.8491
2320 L A 1.9078
2321 A A 0.3660
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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 0.0005 4.69 View CSV PDB
4.5 -0.0325 4.69 View CSV PDB
5.0 -0.0726 4.69 View CSV PDB
5.5 -0.1139 4.69 View CSV PDB
6.0 -0.1514 4.69 View CSV PDB
6.5 -0.1819 4.69 View CSV PDB
7.0 -0.2053 4.69 View CSV PDB
7.5 -0.2236 4.69 View CSV PDB
8.0 -0.2386 4.69 View CSV PDB
8.5 -0.2497 4.69 View CSV PDB
9.0 -0.2558 4.69 View CSV PDB