Project name: M1103V_5

Status: done

Started: 2026-08-11 00:09:19
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYVGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:37)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:37)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:35:18)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/7f116b324b79ba7/tmp/folded.pdb                (00:35:18)
[INFO]       Main:     Simulation completed successfully.                                          (01:11:37)
Show buried residues

Minimal score value
-2.5242
Maximal score value
2.3274
Average score
-0.2822
Total score value
-654.9126

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 0.9670
2 G A -0.3188
3 P A -0.4274
4 G A -0.5023
5 A A -0.3641
6 R A -1.9258
7 G A -1.1853
8 R A -2.2673
9 R A -2.5241
10 R A -2.5242
11 R A -2.5124
12 R A -2.5127
13 R A -2.2249
14 P A -0.3945
15 M A 0.9663
16 S A -0.0656
17 P A -0.3406
18 P A -0.3481
19 P A -0.3481
20 P A -0.3485
21 P A -0.3485
22 P A -0.3483
23 P A 0.0298
24 V A 1.3844
25 R A -1.5056
26 A A 0.0019
27 L A 1.5118
28 P A 0.3203
29 L A 1.7919
30 L A 2.1304
31 L A 2.1323
32 L A 2.1335
33 L A 1.8505
34 A A 0.2636
35 G A -0.5018
36 P A -0.4268
37 G A -0.5030
38 A A -0.0176
39 A A 0.0801
40 A A 0.0228
41 P A -0.2741
42 P A -0.1778
43 C A 0.4315
44 L A 1.2582
45 D A -1.5954
46 G A -0.8184
47 S A -0.2400
48 P A -0.0726
49 C A 0.0000
50 A A -0.1419
51 N A -0.9921
52 G A -0.6309
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.2392
57 Q A -1.0522
58 L A 0.5317
59 P A -0.1376
60 S A -0.5166
61 R A -2.2028
62 E A -2.1552
63 A A -0.4745
64 A A 0.0307
65 C A 0.3793
66 L A 1.6083
67 C A 0.5106
68 P A -0.0689
69 P A -0.2779
70 G A -0.0648
71 W A 0.1679
72 V A 0.3087
73 G A -0.3711
74 E A -2.1304
75 R A -1.9708
76 C A 0.0000
77 Q A -0.4389
78 L A -0.2014
79 E A -1.7771
80 D A -0.5768
81 P A -0.0695
82 C A -0.0797
83 H A -1.0096
84 S A -0.4765
85 G A -0.5157
86 P A -0.1331
87 C A -0.0102
88 A A -0.0258
89 G A -0.6949
90 R A -1.9214
91 G A -0.0448
92 V A 1.7833
93 C A 0.3284
94 Q A -0.6955
95 S A -0.1293
96 S A -0.0526
97 V A 1.0763
98 V A 1.8751
99 A A 0.2885
100 G A -0.4647
101 T A -0.1336
102 A A 0.0000
103 R A -1.7047
104 F A 0.3499
105 S A -0.0585
106 C A -0.2799
107 R A -1.7852
108 C A -0.1368
109 P A -0.3713
110 R A -1.8662
111 G A -0.1908
112 F A 0.9407
113 R A -0.2143
114 G A -0.3355
115 P A -0.4235
116 D A -0.7523
117 C A 0.0000
118 S A -0.0460
119 L A 0.8295
120 P A 0.0036
121 D A -0.3157
122 P A -0.0795
123 C A 0.2831
124 L A 1.0870
125 S A -0.0494
126 S A -0.2596
127 P A -0.0726
128 C A 0.0681
129 A A -0.1280
130 H A -0.9333
131 G A -0.6184
132 A A -0.3921
133 R A -1.8136
134 C A -0.2127
135 S A -0.0544
136 V A 0.6293
137 G A 0.0269
138 P A -0.5860
139 D A -1.8532
140 G A -0.7526
141 R A -1.8043
142 F A 0.2092
143 L A 0.9619
144 C A 0.2428
145 S A -0.1465
146 C A 0.2080
147 P A -0.0717
148 P A -0.2784
149 G A -0.0885
150 Y A -0.1652
151 Q A -1.2548
152 G A -1.0297
153 R A -1.9408
154 S A -0.3798
155 C A 0.0000
156 R A -1.8832
157 S A -0.7027
158 D A -0.7834
159 V A 0.0659
160 D A -0.4978
161 E A -0.9250
162 C A -0.3804
163 R A -1.5024
164 V A 1.3889
165 G A -0.2753
166 E A -1.8804
167 P A -0.3959
168 C A 0.0000
169 R A -1.9957
170 H A -1.2579
171 G A -0.6269
172 G A -0.1180
173 T A -0.0590
174 C A 0.1961
175 L A 0.3810
176 N A -0.4040
177 T A -0.1056
178 P A -0.2706
179 G A -0.1609
180 S A -0.0746
181 F A 0.0628
182 R A -1.7350
183 C A -0.4491
184 Q A -1.1394
185 C A -0.0138
186 P A -0.0555
187 A A 0.0203
188 G A -0.0120
189 Y A 0.3699
190 T A 0.0237
191 G A -0.2199
192 P A -0.2107
193 L A 0.3778
194 C A 0.0000
195 E A -0.7336
196 N A -1.3293
197 P A -0.4060
198 A A 0.2946
199 V A 1.5346
200 P A 0.0000
201 C A 0.1446
202 A A -0.0063
203 P A -0.2650
204 S A -0.1653
205 P A -0.0762
206 C A 0.0000
207 R A -2.0013
208 N A -1.2781
209 G A -0.6276
210 G A -0.1137
211 T A -0.0606
212 C A -0.2449
213 R A -2.0490
214 Q A -1.5148
215 S A -0.4116
216 G A -0.5481
217 D A -1.6085
218 L A 0.8614
219 T A 0.2188
220 Y A -0.0863
221 D A -1.7049
222 C A 0.0000
223 A A 0.0719
224 C A 0.3928
225 L A 0.8825
226 P A -0.1041
227 G A -0.2700
228 F A -0.1773
229 E A -1.8296
230 G A -0.8283
231 Q A -1.2883
232 N A -0.4355
233 C A 0.0000
234 E A -0.7318
235 V A 0.7481
236 N A -0.0264
237 V A 0.5869
238 D A -1.7686
239 D A -1.2084
240 C A -0.1171
241 P A -0.3242
242 G A -0.6011
243 H A -0.9060
244 R A -1.9323
245 C A 0.0000
246 L A 0.9030
247 N A -0.7437
248 G A -0.6278
249 G A -0.1184
250 T A -0.0619
251 C A 0.2814
252 V A 0.9512
253 D A -0.4545
254 G A 0.1154
255 V A 1.5223
256 N A -0.9733
257 T A -0.2492
258 Y A -0.0624
259 N A -1.2080
260 C A -0.3673
261 Q A -1.1524
262 C A -0.0682
263 P A -0.0714
264 P A -0.3680
265 E A -0.5913
266 W A 0.0086
267 T A -0.2559
268 G A -0.5490
269 Q A -1.2080
270 F A 0.0593
271 C A 0.0000
272 T A -0.3984
273 E A -1.8920
274 D A -0.5810
275 V A -0.0159
276 D A -1.0148
277 E A -0.5300
278 C A -0.1674
279 Q A -0.8958
280 L A 1.1112
281 Q A -0.9622
282 P A -0.7021
283 N A -1.3180
284 A A -0.2223
285 C A 0.0000
286 H A -0.8914
287 N A -1.0159
288 G A -0.6214
289 G A -0.1311
290 T A -0.0453
291 C A 0.4734
292 F A 1.8307
293 N A -0.2486
294 T A 0.0974
295 L A 1.5091
296 G A 0.1133
297 G A -0.1492
298 H A -0.4398
299 S A -0.2335
300 C A 0.3874
301 V A 1.8219
302 C A 0.6989
303 V A 0.8697
304 N A -1.0771
305 G A 0.0000
306 W A 0.0881
307 T A -0.0443
308 G A -0.5250
309 E A -1.8644
310 S A -0.3849
311 C A 0.0000
312 S A -0.4099
313 Q A -1.2857
314 N A -0.2981
315 I A 0.6668
316 D A -1.5995
317 D A -0.5754
318 C A 0.0756
319 A A 0.0665
320 T A -0.0585
321 A A 0.0637
322 V A 0.3126
323 C A 0.2088
324 F A 0.0991
325 H A -1.0275
326 G A -0.6451
327 A A -0.0537
328 T A -0.0144
329 C A 0.1168
330 H A -0.2420
331 D A -0.7169
332 R A -1.6315
333 V A 0.8305
334 A A 0.2128
335 S A -0.1632
336 F A 0.3608
337 Y A 0.6371
338 C A 0.1971
339 A A 0.0764
340 C A 0.2626
341 P A 0.1524
342 M A 1.0230
343 G A -0.0186
344 K A -0.8219
345 T A -0.1225
346 G A 0.1290
347 L A 1.2643
348 L A 0.0000
349 C A 0.0000
350 H A -0.1278
351 L A -0.1319
352 D A -1.8817
353 D A -0.7588
354 A A -0.0373
355 C A 0.3573
356 V A 1.4108
357 S A -0.1797
358 N A -1.3309
359 P A -0.3260
360 C A 0.0201
361 H A -0.5268
362 E A -2.1829
363 D A -2.1183
364 A A -0.2259
365 I A 0.3977
366 C A 0.0252
367 D A -1.1795
368 T A 0.0000
369 N A 0.0000
370 P A -0.2008
371 V A 0.2712
372 N A -0.1254
373 G A -0.4483
374 R A -1.8595
375 A A 0.0000
376 I A 1.2898
377 C A 0.3366
378 T A 0.0231
379 C A 0.1952
380 P A -0.0359
381 P A -0.2708
382 G A -0.0819
383 F A 0.1710
384 T A -0.0459
385 G A -0.4751
386 G A -0.5329
387 A A -0.0509
388 C A 0.0000
389 D A -1.8948
390 Q A -0.9679
391 D A -0.4174
392 V A 0.0000
393 D A -0.7228
394 E A -0.8797
395 C A -0.0443
396 S A -0.0150
397 I A 0.1921
398 G A 0.0000
399 A A 0.0303
400 N A -0.1474
401 P A -0.0534
402 C A 0.0000
403 E A -1.7223
404 H A -0.4718
405 L A 1.4658
406 G A 0.0000
407 R A -1.5609
408 C A -0.0592
409 V A 0.6066
410 N A -0.2019
411 T A -0.2765
412 Q A -1.2227
413 G A -0.3587
414 S A -0.0896
415 F A 0.5733
416 L A 1.3481
417 C A 0.0948
418 Q A -1.2922
419 C A -0.0304
420 G A -0.5431
421 R A -1.8987
422 G A -0.1466
423 Y A 0.0016
424 T A -0.0419
425 G A -0.2037
426 P A -0.5623
427 R A -1.6146
428 C A 0.0000
429 E A -1.5404
430 T A -0.5604
431 D A -1.1610
432 V A 0.2713
433 N A -0.6823
434 E A -0.8848
435 C A 0.2532
436 L A 1.5304
437 S A -0.0162
438 G A -0.5119
439 P A -0.1074
440 C A -0.1676
441 R A -1.9594
442 N A -1.2694
443 Q A -1.3256
444 A A -0.2008
445 T A -0.0443
446 C A 0.2138
447 L A 0.3867
448 D A -0.6055
449 R A -1.3445
450 I A 1.6942
451 G A 0.0000
452 Q A -1.1284
453 F A 0.0993
454 T A 0.0570
455 C A 0.4656
456 I A 2.0649
457 C A 0.6631
458 M A 0.5273
459 A A 0.1469
460 G A 0.0000
461 F A -0.0246
462 T A -0.0469
463 G A -0.2634
464 T A 0.0135
465 Y A 0.7052
466 C A 0.0000
467 E A -0.6491
468 V A 0.6747
469 D A -1.3745
470 I A 0.2975
471 D A -1.6262
472 E A -0.6665
473 C A -0.1810
474 Q A -1.2189
475 S A -0.4685
476 S A -0.2587
477 P A -0.0680
478 C A 0.2501
479 V A 0.8802
480 N A -0.7781
481 G A -0.6362
482 G A 0.2003
483 V A 1.7873
484 C A 0.2586
485 K A -1.5110
486 D A -2.2607
487 R A -1.8433
488 V A 1.2045
489 N A -0.9708
490 G A -0.2233
491 F A 0.4193
492 S A 0.0925
493 C A 0.0972
494 T A -0.0010
495 C A 0.1438
496 P A -0.1114
497 S A -0.2453
498 G A -0.3820
499 F A 0.0102
500 S A -0.1036
501 G A -0.4080
502 S A -0.2792
503 T A -0.0417
504 C A 0.0000
505 Q A -0.9705
506 L A 0.6897
507 D A -1.4161
508 V A -0.0625
509 D A -1.8472
510 E A -1.2793
511 C A -0.0722
512 A A 0.0365
513 S A -0.2149
514 T A -0.1164
515 P A -0.0540
516 C A 0.0000
517 R A -1.9159
518 N A -1.4020
519 G A -0.6431
520 A A -0.3567
521 K A -1.6847
522 C A -0.1374
523 V A 0.2305
524 D A -1.5304
525 Q A -1.0688
526 P A -0.7214
527 D A -1.8677
528 G A -0.3388
529 Y A -0.0156
530 E A -1.2201
531 C A -0.4949
532 R A -1.7828
533 C A -0.0929
534 A A -0.2680
535 E A -1.8276
536 G A -0.3431
537 F A -0.1298
538 E A -1.8550
539 G A -0.7865
540 T A -0.0636
541 L A 0.4741
542 C A 0.0000
543 D A -2.1238
544 R A -2.2205
545 N A -0.4691
546 V A 0.4246
547 D A -1.0686
548 D A -0.8757
549 C A -0.2425
550 S A -0.4414
551 P A -0.6339
552 D A -1.8472
553 P A -0.3479
554 C A 0.0000
555 H A -1.0697
556 H A -0.6425
557 G A -0.5021
558 R A -1.8494
559 C A 0.0528
560 V A 1.4048
561 D A -0.6338
562 G A 0.0121
563 I A 1.9887
564 A A 0.3491
565 S A -0.0775
566 F A 0.4054
567 S A -0.0856
568 C A 0.0742
569 A A 0.1072
570 C A 0.2496
571 A A 0.0281
572 P A -0.2607
573 G A -0.3397
574 Y A 0.0992
575 T A -0.0462
576 G A -0.2940
577 T A -0.2983
578 R A -1.0047
579 C A 0.0000
580 E A -1.4526
581 S A -0.5942
582 Q A -1.0592
583 V A 0.3401
584 D A -0.6789
585 E A -0.9689
586 C A -0.4092
587 R A -1.8700
588 S A -0.7709
589 Q A -1.2439
590 P A -0.2571
591 C A 0.0000
592 R A -1.9283
593 H A -0.8802
594 G A -0.5589
595 G A -0.4195
596 K A -1.7111
597 C A 0.0000
598 L A -0.0144
599 D A -1.5448
600 L A 0.6836
601 V A 1.6068
602 D A -1.7919
603 K A -1.8876
604 Y A -0.0793
605 L A 0.9459
606 C A -0.1059
607 R A -1.7810
608 C A -0.0807
609 P A -0.0856
610 S A -0.2506
611 G A -0.1500
612 T A 0.0000
613 T A -0.0858
614 G A 0.0802
615 V A 1.6802
616 N A 0.0480
617 C A 0.0000
618 E A -0.3609
619 V A 0.8126
620 N A -0.2457
621 I A 1.3094
622 D A -1.6795
623 D A -1.5173
624 C A -0.1311
625 A A 0.0337
626 S A -0.4254
627 N A -1.3203
628 P A -0.2712
629 C A 0.1299
630 T A 0.2266
631 F A 1.5765
632 G A 0.5037
633 V A 1.4048
634 C A 0.0270
635 R A -1.9402
636 D A -0.9161
637 G A -0.2731
638 I A 0.7981
639 N A -1.3993
640 R A -2.0073
641 Y A -0.2912
642 D A -1.6917
643 C A 0.0006
644 V A 1.2520
645 C A 0.3281
646 Q A -1.0032
647 P A -0.3806
648 G A -0.2264
649 F A -0.0913
650 T A 0.1413
651 G A -0.2579
652 P A -0.1548
653 L A 0.7277
654 C A 0.0000
655 N A -0.9727
656 V A 1.1539
657 E A -1.2944
658 I A 0.5186
659 N A -1.2354
660 E A -1.0962
661 C A -0.0403
662 A A 0.0396
663 S A -0.2404
664 S A -0.2638
665 P A -0.0947
666 C A 0.0371
667 G A -0.5012
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1953 E A -1.7456
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1967 M A -0.0824
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1969 D A 0.0000
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1971 K A -0.8848
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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 -0.2331
1982 E A 0.0000
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1984 S A 0.0000
1985 Y A 0.3967
1986 E A -1.6884
1987 A A 0.0000
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1990 L A -0.1896
1991 L A 0.0000
1992 L A -0.0861
1993 D A -1.7834
1994 H A -0.4067
1995 F A 0.7683
1996 A A 0.0000
1997 N A -0.8328
1998 R A -0.8072
1999 E A -1.8259
2000 I A -0.0309
2001 T A -0.1143
2002 D A 0.0000
2003 H A -0.7138
2004 L A 1.0505
2005 D A -1.5893
2006 R A -0.6755
2007 L A 0.2619
2008 P A 0.0000
2009 R A -1.0507
2010 D A -1.2906
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -1.0047
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2016 L A 0.1214
2017 H A -0.2583
2018 Q A -1.0976
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2266 W A 0.7820
2267 S A -0.2631
2268 E A -1.9123
2269 S A -0.6791
2270 T A -0.1608
2271 P A -0.3098
2272 S A -0.3148
2273 P A -0.2877
2274 A A -0.0053
2275 T A -0.0478
2276 A A 0.0308
2277 T A -0.1476
2278 G A -0.4684
2279 A A 0.1799
2280 M A 1.0761
2281 A A 0.2416
2282 T A -0.0740
2283 T A -0.0983
2284 T A -0.1950
2285 G A -0.4714
2286 A A 0.2752
2287 L A 1.5131
2288 P A 0.0370
2289 A A -0.2190
2290 Q A -1.2361
2291 P A -0.1943
2292 L A 1.4526
2293 P A 0.3213
2294 L A 1.4596
2295 S A 0.4232
2296 V A 1.6853
2297 P A 0.0268
2298 S A -0.2849
2299 S A 0.1425
2300 L A 1.5351
2301 A A 0.1201
2302 Q A -1.1761
2303 A A -0.3979
2304 Q A -1.2015
2305 T A -0.5276
2306 Q A -0.9251
2307 L A 1.2388
2308 G A -0.2245
2309 P A -0.5603
2310 Q A -1.2925
2311 P A -0.8383
2312 E A -1.5353
2313 V A 1.4164
2314 T A 0.1973
2315 P A -0.5704
2316 K A -2.1831
2317 R A -2.4649
2318 Q A -1.1305
2319 V A 1.7805
2320 L A 1.8810
2321 A A 0.4080
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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 -0.0042 4.6666 View CSV PDB
4.5 -0.0367 4.6666 View CSV PDB
5.0 -0.076 4.6666 View CSV PDB
5.5 -0.1166 4.6666 View CSV PDB
6.0 -0.1533 4.6666 View CSV PDB
6.5 -0.183 4.6666 View CSV PDB
7.0 -0.2056 4.6666 View CSV PDB
7.5 -0.2232 4.6666 View CSV PDB
8.0 -0.2376 4.6666 View CSV PDB
8.5 -0.2483 4.6666 View CSV PDB
9.0 -0.2541 4.6666 View CSV PDB