Project name: R133C

Status: done

Started: 2026-05-08 01:39:22
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGACCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:12)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:12)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:12)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:12)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:32)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:32)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:22:28)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/c5018ba98cd4295/tmp/folded.pdb                (00:22:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:56:04)
Show buried residues

Minimal score value
-4.6757
Maximal score value
5.9699
Average score
-0.7512
Total score value
-1743.4423

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 0.7131
2 G A -0.1932
3 P A -0.6334
4 G A -0.9654
5 A A -1.3541
6 R A -2.5372
7 G A -2.6839
8 R A -3.7966
9 R A -4.3092
10 R A -4.5282
11 R A -4.5568
12 R A -4.2164
13 R A -3.0117
14 P A -1.1679
15 M A 0.3598
16 S A 0.0688
17 P A -0.2876
18 P A -0.6151
19 P A -0.6104
20 P A -0.6241
21 P A -0.4384
22 P A -0.3529
23 P A 0.0434
24 V A 0.8644
25 R A -0.6724
26 A A 0.2902
27 L A 1.5112
28 P A 1.6938
29 L A 3.0558
30 L A 3.6848
31 L A 3.8052
32 L A 3.6604
33 L A 2.7711
34 A A 1.1039
35 G A -0.0282
36 P A -0.4600
37 G A -0.6587
38 A A -0.2890
39 A A -0.6541
40 A A -0.7435
41 P A -0.5233
42 P A -0.8520
43 C A -0.5728
44 L A 0.4055
45 D A -1.2926
46 G A -0.9744
47 S A -1.1574
48 P A -1.1201
49 C A -1.6503
50 A A -1.5876
51 N A -1.7678
52 G A -1.3500
53 G A 0.0000
54 R A -1.7618
55 C A 0.0000
56 T A -0.6710
57 Q A -1.5179
58 L A -0.9954
59 P A -1.1552
60 S A -1.6889
61 R A -2.9301
62 E A -2.8521
63 A A -1.8526
64 A A -1.3976
65 C A -1.0777
66 L A 0.3807
67 C A -0.4636
68 P A -0.1809
69 P A -0.4305
70 G A -0.9843
71 W A -0.9186
72 V A -0.9797
73 G A -1.2586
74 E A -2.4466
75 R A -2.8908
76 C A 0.0000
77 Q A -2.0073
78 L A -1.6282
79 E A -2.2611
80 D A -1.6311
81 P A -1.4011
82 C A -1.0229
83 H A -1.5352
84 S A -1.1427
85 G A -0.8563
86 P A -0.4128
87 C A -0.8314
88 A A -0.6156
89 G A -1.1353
90 R A -1.7118
91 G A -1.1474
92 V A 0.3978
93 C A -0.3631
94 Q A -0.9652
95 S A -0.6412
96 S A -0.1745
97 V A 0.6149
98 V A 1.5515
99 A A 0.6151
100 G A -0.2236
101 T A -0.1344
102 A A 0.0000
103 R A -1.3845
104 F A -0.6688
105 S A -0.9138
106 C A -1.0208
107 R A -1.7800
108 C A -1.1460
109 P A -1.3053
110 R A -1.7893
111 G A -0.4018
112 F A -0.2604
113 R A -0.7346
114 G A -0.6051
115 P A -0.8030
116 D A -0.8849
117 C A 0.0000
118 S A -0.3454
119 L A 0.3613
120 P A 0.0569
121 D A -0.1836
122 P A 0.0193
123 C A 0.5640
124 L A 0.5629
125 S A 0.1772
126 S A 0.1587
127 P A -0.1396
128 C A -0.5847
129 A A -1.2671
130 H A -1.3631
131 G A -0.6094
132 A A -0.3008
133 C A 0.7186
134 C A 0.9690
135 S A 0.4434
136 V A 0.1177
137 G A -0.5261
138 P A -0.9783
139 D A -1.7218
140 G A -1.3207
141 R A -1.8280
142 F A -0.2703
143 L A 0.2646
144 C A -0.0564
145 S A -0.1090
146 C A -0.7711
147 P A -0.4161
148 P A -0.5227
149 G A -0.8780
150 Y A -1.8662
151 Q A -2.4592
152 G A -2.4959
153 R A -2.4446
154 S A -1.6743
155 C A 0.0000
156 R A -2.9646
157 S A -2.3462
158 D A -2.0619
159 V A -1.2741
160 D A -1.1900
161 E A -1.4915
162 C A -1.4544
163 R A -1.7660
164 V A 0.1148
165 G A -1.0309
166 E A -2.3910
167 P A -1.7775
168 C A 0.0000
169 R A -2.9918
170 H A -2.1053
171 G A -1.7592
172 G A -1.7296
173 T A -1.2749
174 C A -1.4436
175 L A -0.5210
176 N A -1.2335
177 T A -0.8465
178 P A -1.0077
179 G A -1.1473
180 S A -0.8806
181 F A -0.9982
182 R A -1.8827
183 C A -1.6763
184 Q A -1.5368
185 C A -1.2470
186 P A -0.6379
187 A A 0.0307
188 G A 0.1092
189 Y A -0.3824
190 T A -0.6515
191 G A -0.8696
192 P A -1.0530
193 L A -1.3133
194 C A 0.0000
195 E A -1.7354
196 N A -1.5095
197 P A -0.3364
198 A A 0.3828
199 V A 1.0887
200 P A 0.0398
201 C A -0.2246
202 A A 0.2734
203 P A 0.0269
204 S A -0.7023
205 P A -1.0549
206 C A 0.0000
207 R A -2.9112
208 N A -1.9707
209 G A -1.3581
210 G A -1.5476
211 T A -1.1828
212 C A -1.8112
213 R A -2.8830
214 Q A -2.3689
215 S A -1.7579
216 G A -1.2784
217 D A -1.2179
218 L A 0.5109
219 T A -0.5645
220 Y A -1.5577
221 D A -2.6842
222 C A 0.0000
223 A A -0.9033
224 C A -0.8269
225 L A 0.1493
226 P A -0.0078
227 G A -0.5201
228 F A -1.0436
229 E A -2.0665
230 G A -2.0347
231 Q A -2.3463
232 N A -2.3110
233 C A 0.0000
234 E A -2.1302
235 V A -0.7758
236 N A -0.7299
237 V A -0.9352
238 D A -1.8186
239 D A -2.0219
240 C A -1.7608
241 P A -1.4382
242 G A -1.3857
243 H A -1.7040
244 R A -2.1133
245 C A 0.0000
246 L A 0.0811
247 N A -0.8788
248 G A -0.6141
249 G A -0.8276
250 T A -0.6786
251 C A -0.9355
252 V A -0.5456
253 D A -1.1678
254 G A -0.3810
255 V A 0.6113
256 N A -0.8602
257 T A -0.8388
258 Y A -1.4452
259 N A -1.9079
260 C A -1.3642
261 Q A -1.4212
262 C A -1.1123
263 P A -0.6628
264 P A -0.7794
265 E A -1.3340
266 W A -1.2537
267 T A -1.3986
268 G A -1.5492
269 Q A -1.8786
270 F A -1.3542
271 C A 0.0000
272 T A -1.2190
273 E A -2.1525
274 D A -1.5798
275 V A -1.1786
276 D A -1.4831
277 E A -1.4161
278 C A -1.0941
279 Q A -1.3048
280 L A -0.1373
281 Q A -1.5451
282 P A -1.5034
283 N A -2.1638
284 A A -1.4252
285 C A 0.0000
286 H A -2.1721
287 N A -1.7448
288 G A -1.0949
289 G A -0.4962
290 T A 0.2615
291 C A -0.0694
292 F A 0.6904
293 N A -0.4442
294 T A 0.1505
295 L A 0.6662
296 G A -0.5125
297 G A -0.4040
298 H A -0.6319
299 S A -0.1709
300 C A 0.2638
301 V A 1.3626
302 C A 0.0081
303 V A -0.1476
304 N A -0.8007
305 G A 0.0000
306 W A -0.6575
307 T A -1.0178
308 G A -1.3465
309 E A -2.0850
310 S A -1.5863
311 C A 0.0000
312 S A -1.6664
313 Q A -1.8249
314 N A -1.3156
315 I A -0.8065
316 D A -1.9899
317 D A -0.9605
318 C A -0.4293
319 A A -0.2350
320 T A 0.0023
321 A A 0.7929
322 V A 1.8534
323 C A 1.5856
324 F A 0.9379
325 H A -0.6541
326 G A -0.4781
327 A A 0.2092
328 T A 0.2470
329 C A 0.4754
330 H A -0.7483
331 D A -1.2809
332 R A -1.4409
333 V A -0.1206
334 A A -0.3633
335 S A -0.4611
336 F A 0.2411
337 Y A 1.0949
338 C A 0.0000
339 A A 0.6238
340 C A 0.5503
341 P A 0.1480
342 M A 0.7487
343 G A -0.1290
344 K A -1.0335
345 T A -0.4854
346 G A 0.4133
347 L A 2.2308
348 L A 1.6735
349 C A 0.0000
350 H A -0.0087
351 L A -1.0889
352 D A -2.2985
353 D A -1.5098
354 A A -1.3006
355 C A -0.5499
356 V A 0.4865
357 S A -0.3181
358 N A -1.1698
359 P A -0.9819
360 C A -1.3897
361 H A -2.2618
362 E A -2.8916
363 D A -2.3958
364 A A -0.8800
365 I A 0.9668
366 C A -0.0514
367 D A -1.2042
368 T A 0.0000
369 N A -0.9238
370 P A -0.1773
371 V A 0.8641
372 N A -1.3227
373 G A -1.9368
374 R A -2.4370
375 A A -1.1875
376 I A -0.0380
377 C A -0.2196
378 T A 0.3604
379 C A -0.2970
380 P A 0.0000
381 P A -0.4245
382 G A -0.7278
383 F A -1.3946
384 T A -1.2162
385 G A -1.4184
386 G A -0.9824
387 A A -0.9955
388 C A 0.0000
389 D A -2.9968
390 Q A -2.5922
391 D A -1.9990
392 V A -0.8723
393 D A -0.8903
394 E A -0.1747
395 C A -0.0898
396 S A 0.1596
397 I A 1.2618
398 G A 0.1956
399 A A -0.4647
400 N A -1.4922
401 P A -1.0243
402 C A 0.0000
403 E A -2.6307
404 H A -1.7890
405 L A -0.1924
406 G A 0.0000
407 R A -2.1720
408 C A 0.0000
409 V A 0.1403
410 N A -0.3851
411 T A -0.4199
412 Q A -1.6407
413 G A -1.2608
414 S A -0.2428
415 F A 0.4777
416 L A 0.9512
417 C A -0.9229
418 Q A -1.5246
419 C A -1.6868
420 G A -1.3801
421 R A -1.9845
422 G A -1.2277
423 Y A -1.2707
424 T A -1.5829
425 G A -1.4512
426 P A -1.1087
427 R A -2.4462
428 C A 0.0000
429 E A -2.4347
430 T A -1.7209
431 D A -1.7371
432 V A -0.8896
433 N A -0.8412
434 E A -0.9934
435 C A -0.2250
436 L A 0.8899
437 S A 0.0731
438 G A -0.4817
439 P A -0.3628
440 C A -0.6968
441 R A -2.0972
442 N A -2.0797
443 Q A -1.7489
444 A A -0.3401
445 T A 0.2965
446 C A 0.3913
447 L A 0.0377
448 D A -1.1254
449 R A -1.2529
450 I A 0.0896
451 G A 0.0000
452 Q A -1.4757
453 F A -0.4832
454 T A 0.2318
455 C A 0.9570
456 I A 2.0724
457 C A 0.9858
458 M A 0.3799
459 A A 0.3698
460 G A -0.6458
461 F A 0.0000
462 T A 0.0285
463 G A 0.0952
464 T A 0.3795
465 Y A 0.4200
466 C A 0.0000
467 E A -0.9419
468 V A -0.2255
469 D A -1.8045
470 I A -1.3612
471 D A -3.2101
472 E A -2.9846
473 C A -2.1993
474 Q A -2.2413
475 S A -1.3536
476 S A -0.5223
477 P A -0.0503
478 C A 0.3032
479 V A 0.5838
480 N A -0.7315
481 G A -0.2511
482 G A 0.3662
483 V A 1.2298
484 C A -0.5754
485 K A -2.3105
486 D A -3.6421
487 R A -2.9125
488 V A -0.5993
489 N A -1.5292
490 G A -1.5100
491 F A -1.6456
492 S A -0.8123
493 C A 0.1743
494 T A 0.3565
495 C A 0.3669
496 P A -0.3801
497 S A -1.0196
498 G A -2.0266
499 F A -1.1591
500 S A -0.4363
501 G A -0.5326
502 S A -0.2377
503 T A 0.0537
504 C A 0.0000
505 Q A -0.9621
506 L A -0.2745
507 D A -2.4858
508 V A -1.9062
509 D A -2.9534
510 E A -2.7906
511 C A -1.7504
512 A A -1.0146
513 S A -0.7084
514 T A -0.8923
515 P A -0.7638
516 C A 0.0000
517 R A -3.1287
518 N A -3.0986
519 G A -2.3308
520 A A -2.8574
521 K A -2.9573
522 C A -2.2736
523 V A -2.0073
524 D A -3.4312
525 Q A -3.0229
526 P A -2.6424
527 D A -2.9627
528 G A -2.2556
529 Y A -2.1640
530 E A -2.3627
531 C A -2.3145
532 R A -3.0487
533 C A -2.9224
534 A A -1.9955
535 E A -1.9144
536 G A -1.1346
537 F A -2.4891
538 E A -3.2687
539 G A -2.0149
540 T A -1.4507
541 L A -1.7644
542 C A 0.0000
543 D A -3.6824
544 R A -3.8014
545 N A -2.4481
546 V A -1.7096
547 D A -2.1479
548 D A -1.2808
549 C A -1.5471
550 S A -1.6198
551 P A -1.5761
552 D A -2.6453
553 P A -1.9617
554 C A 0.0000
555 H A -2.6285
556 H A -2.0375
557 G A -1.8637
558 R A -2.1104
559 C A 0.0000
560 V A 0.5017
561 D A -0.5108
562 G A 0.5041
563 I A 1.1845
564 A A 0.0050
565 S A 0.2381
566 F A 0.1995
567 S A -0.0482
568 C A -0.9948
569 A A -0.3834
570 C A -1.1158
571 A A -0.8263
572 P A -0.4248
573 G A -0.8131
574 Y A -1.0325
575 T A -0.9610
576 G A -1.2877
577 T A -1.0789
578 R A -2.4465
579 C A 0.0000
580 E A -2.7029
581 S A -1.7267
582 Q A -1.2916
583 V A -1.2978
584 D A -2.4853
585 E A -2.5169
586 C A -2.3882
587 R A -3.0187
588 S A -2.0198
589 Q A -2.8180
590 P A -1.5292
591 C A -1.7480
592 R A -2.7153
593 H A -1.6417
594 G A -2.1047
595 G A -2.2317
596 K A -2.7483
597 C A -1.7047
598 L A -0.8602
599 D A -1.7778
600 L A 0.0185
601 V A 0.1666
602 D A -2.0479
603 K A -1.8268
604 Y A -0.4625
605 L A 0.4456
606 C A -0.9613
607 R A -2.0548
608 C A -1.2970
609 P A -1.2259
610 S A -0.4994
611 G A -0.7177
612 T A 0.0000
613 T A 0.0260
614 G A 0.3834
615 V A 1.3835
616 N A -0.4820
617 C A 0.0000
618 E A -0.6964
619 V A 0.5464
620 N A -0.7645
621 I A -0.4738
622 D A -2.2057
623 D A -2.6581
624 C A 0.0000
625 A A -1.0639
626 S A -1.1752
627 N A -1.1233
628 P A -0.3681
629 C A 0.1873
630 T A 0.5349
631 F A 1.1778
632 G A 0.7427
633 V A 1.2831
634 C A -0.5011
635 R A -2.3833
636 D A -2.3719
637 G A -1.8090
638 I A -0.3180
639 N A -1.9303
640 R A -2.9403
641 Y A -2.4957
642 D A -2.1450
643 C A -0.3458
644 V A 0.6258
645 C A 0.3653
646 Q A -0.6900
647 P A -1.2590
648 G A 0.0000
649 F A -0.5140
650 T A 0.3102
651 G A 0.3134
652 P A -0.0929
653 L A 0.9020
654 C A 0.0000
655 N A -0.2740
656 V A 0.6470
657 E A -1.4614
658 I A -0.9649
659 N A -1.7579
660 E A -1.6854
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1998 R A -1.5381
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2000 I A -1.6452
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2014 E A -2.8714
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2245 L A 1.9279
2246 T A 0.8871
2247 P A -0.2984
2248 S A -0.9454
2249 P A -1.3791
2250 E A -2.1925
2251 S A -1.8059
2252 P A -1.9031
2253 E A -2.2774
2254 H A -1.4179
2255 W A 0.2771
2256 A A 0.2563
2257 S A -0.0983
2258 P A -0.5194
2259 S A -0.5789
2260 P A -0.6022
2261 P A -0.2326
2262 S A 0.3222
2263 L A 0.8619
2264 S A -0.0300
2265 D A -1.1962
2266 W A -0.2836
2267 S A -1.1005
2268 E A -1.9671
2269 S A -1.2728
2270 T A -0.7834
2271 P A -0.5005
2272 S A -0.4762
2273 P A -0.4132
2274 A A -0.1799
2275 T A -0.1750
2276 A A -0.1482
2277 T A -0.2916
2278 G A -0.2391
2279 A A 0.3723
2280 M A 0.9986
2281 A A 0.5863
2282 T A 0.1434
2283 T A -0.2342
2284 T A -0.3738
2285 G A -0.1616
2286 A A 0.5356
2287 L A 1.3588
2288 P A 0.2927
2289 A A -0.3553
2290 Q A -1.0540
2291 P A -0.2267
2292 L A 1.3443
2293 P A 1.1539
2294 L A 2.0542
2295 S A 1.4716
2296 V A 1.8570
2297 P A 0.6065
2298 S A 0.2321
2299 S A 0.3762
2300 L A 1.1866
2301 A A 0.1423
2302 Q A -1.1416
2303 A A -1.0963
2304 Q A -1.6184
2305 T A -1.1009
2306 Q A -0.8994
2307 L A 0.3857
2308 G A -0.4601
2309 P A -1.1053
2310 Q A -1.6264
2311 P A -1.4610
2312 E A -1.4927
2313 V A 0.3968
2314 T A -0.5882
2315 P A -1.3516
2316 K A -2.7635
2317 R A -3.0628
2318 Q A -1.1854
2319 V A 1.3445
2320 L A 2.2020
2321 A A 1.1794
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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 -0.0542 7.5453 View CSV PDB
4.5 -0.1378 7.4724 View CSV PDB
5.0 -0.2392 7.3689 View CSV PDB
5.5 -0.3443 7.2805 View CSV PDB
6.0 -0.4404 7.2805 View CSV PDB
6.5 -0.5201 7.2805 View CSV PDB
7.0 -0.583 7.2805 View CSV PDB
7.5 -0.634 7.2805 View CSV PDB
8.0 -0.6766 7.2805 View CSV PDB
8.5 -0.7093 7.2805 View CSV PDB
9.0 -0.7286 7.2805 View CSV PDB