Project name: C245Y

Status: done

Started: 2026-05-06 07:00:24
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRYLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:20)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:23:53)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/58cc19fce404737/tmp/folded.pdb                (00:23:53)
[INFO]       Main:     Simulation completed successfully.                                          (01:01:49)
Show buried residues

Minimal score value
-4.7729
Maximal score value
5.8473
Average score
-0.741
Total score value
-1719.7904

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 -0.1719
3 P A -0.6304
4 G A -1.0499
5 A A -1.4752
6 R A -2.8181
7 G A -2.6686
8 R A -3.9160
9 R A -4.4486
10 R A -4.6916
11 R A -4.5258
12 R A -4.0109
13 R A -3.2524
14 P A -1.3451
15 M A 0.0543
16 S A -0.1995
17 P A -0.3580
18 P A -0.5187
19 P A -0.6870
20 P A -0.6923
21 P A -0.4066
22 P A -0.3543
23 P A -0.0993
24 V A 0.8737
25 R A -0.6495
26 A A 0.5313
27 L A 1.8135
28 P A 1.7112
29 L A 3.2984
30 L A 3.8874
31 L A 3.9429
32 L A 3.7270
33 L A 2.8308
34 A A 1.1627
35 G A 0.0144
36 P A -0.4148
37 G A -0.6570
38 A A -0.3035
39 A A -0.6112
40 A A -0.6648
41 P A -0.6280
42 P A -0.7978
43 C A -0.5601
44 L A 0.4365
45 D A -1.3159
46 G A -1.0069
47 S A -1.1358
48 P A 0.0000
49 C A 0.0000
50 A A -1.5521
51 N A -1.7317
52 G A -1.3337
53 G A 0.0000
54 R A -1.7289
55 C A 0.0000
56 T A -0.7760
57 Q A -1.5141
58 L A -1.0144
59 P A -1.1560
60 S A -1.6928
61 R A -2.8996
62 E A -2.8078
63 A A -1.7912
64 A A -1.2647
65 C A -0.9951
66 L A 0.4994
67 C A -0.2558
68 P A -0.1762
69 P A -0.4320
70 G A -0.9965
71 W A -1.0825
72 V A -0.9256
73 G A -1.2033
74 E A -2.3393
75 R A -2.7494
76 C A 0.0000
77 Q A -1.9777
78 L A -1.6142
79 E A -2.3102
80 D A -1.6368
81 P A -1.4129
82 C A -1.0292
83 H A -1.6376
84 S A -1.1550
85 G A -0.8682
86 P A -0.5757
87 C A -0.7880
88 A A -0.5273
89 G A -1.0212
90 R A -1.6718
91 G A -1.0742
92 V A 0.3438
93 C A -0.3660
94 Q A -1.0822
95 S A -0.6388
96 S A -0.1412
97 V A 0.7080
98 V A 1.5798
99 A A 0.6301
100 G A -0.2035
101 T A -0.1497
102 A A -0.5659
103 R A -1.4293
104 F A -0.8525
105 S A -0.9032
106 C A -0.9600
107 R A -1.7286
108 C A -1.0698
109 P A -1.2477
110 R A -1.8617
111 G A -0.5617
112 F A -0.2837
113 R A -0.6215
114 G A -0.5302
115 P A -0.7022
116 D A -0.7005
117 C A 0.0000
118 S A -0.2617
119 L A 0.4259
120 P A -0.1727
121 D A -0.3778
122 P A -0.0641
123 C A 0.0932
124 L A 0.1079
125 S A -0.0449
126 S A -0.2933
127 P A -0.4368
128 C A -1.1101
129 A A -1.4985
130 H A -1.7183
131 G A -1.3144
132 A A -1.5657
133 R A -1.8427
134 C A -0.2760
135 S A -0.0751
136 V A 0.2050
137 G A -0.5826
138 P A -1.1896
139 D A -2.2233
140 G A -1.4987
141 R A -1.8614
142 F A -0.5238
143 L A 0.0449
144 C A -0.6904
145 S A -0.9076
146 C A -1.2595
147 P A -0.8160
148 P A -0.4818
149 G A -0.7960
150 Y A -1.7079
151 Q A -2.3028
152 G A -2.3100
153 R A -2.1834
154 S A 0.0000
155 C A 0.0000
156 R A -2.8323
157 S A -2.1393
158 D A -1.7686
159 V A -1.1061
160 D A -1.1230
161 E A -1.4272
162 C A -1.4330
163 R A -1.7688
164 V A 0.1088
165 G A -1.0411
166 E A -2.4121
167 P A -1.7805
168 C A 0.0000
169 R A -2.9016
170 H A -2.1351
171 G A -1.7323
172 G A -1.7352
173 T A -1.2757
174 C A -1.4416
175 L A -0.5316
176 N A -1.1563
177 T A -0.7707
178 P A -0.8189
179 G A -1.0416
180 S A -0.7956
181 F A -0.9309
182 R A -1.8590
183 C A -1.6260
184 Q A -1.3615
185 C A -1.2474
186 P A -0.6449
187 A A 0.1133
188 G A 0.3210
189 Y A -0.5321
190 T A -0.6922
191 G A -0.9103
192 P A -1.0733
193 L A -1.3549
194 C A 0.0000
195 E A -1.7038
196 N A -1.5265
197 P A -0.4394
198 A A 0.4991
199 V A 1.3443
200 P A 0.0599
201 C A -0.2423
202 A A 0.3060
203 P A 0.0560
204 S A -0.7048
205 P A -1.1220
206 C A 0.0000
207 R A -2.7328
208 N A -1.8807
209 G A -1.2554
210 G A -1.4445
211 T A -1.1475
212 C A -1.8074
213 R A -2.9114
214 Q A -2.3921
215 S A -1.7570
216 G A -1.4068
217 D A -1.0821
218 L A 0.7808
219 T A -0.5009
220 Y A -1.6164
221 D A -2.7123
222 C A -2.1497
223 A A -0.8463
224 C A -0.7358
225 L A 0.0865
226 P A -0.0552
227 G A -0.5882
228 F A -1.1542
229 E A -2.0844
230 G A -1.7885
231 Q A -2.2387
232 N A -2.1462
233 C A 0.0000
234 E A -1.9426
235 V A -1.0444
236 N A -1.2252
237 V A -0.9848
238 D A -1.7070
239 D A -1.6944
240 C A -1.2742
241 P A -1.3359
242 G A -1.3241
243 H A -1.3922
244 R A -1.8244
245 Y A -0.7889
246 L A -0.0048
247 N A -0.7656
248 G A -0.8553
249 G A -0.7756
250 T A -0.5183
251 C A -0.6029
252 V A 0.0072
253 D A -0.8001
254 G A -0.2196
255 V A 0.5793
256 N A -0.8491
257 T A -0.5298
258 Y A -0.8749
259 N A -1.3092
260 C A -1.0791
261 Q A -1.3244
262 C A -1.0671
263 P A -0.8349
264 P A -0.7524
265 E A -1.3918
266 W A -1.3140
267 T A -1.5712
268 G A -1.4488
269 Q A -1.6253
270 F A -0.7823
271 C A 0.0000
272 T A -1.0746
273 E A -2.1566
274 D A -1.5139
275 V A 0.0000
276 D A -1.6992
277 E A -1.2411
278 C A -0.9575
279 Q A -1.3095
280 L A -0.2529
281 Q A -1.5696
282 P A -1.4639
283 N A -2.1374
284 A A -1.4404
285 C A 0.0000
286 H A -1.9426
287 N A -1.4821
288 G A -0.8674
289 G A -0.2189
290 T A 0.4560
291 C A 0.2122
292 F A 1.4041
293 N A -0.1570
294 T A 0.3416
295 L A 0.6482
296 G A -0.4961
297 G A -0.2790
298 H A -0.3954
299 S A -0.0396
300 C A 0.2804
301 V A 0.6745
302 C A 0.0000
303 V A 0.9234
304 N A 0.1389
305 G A 0.0000
306 W A -0.6704
307 T A -1.1920
308 G A -1.4834
309 E A -2.1517
310 S A -1.6417
311 C A 0.0000
312 S A -1.6660
313 Q A -1.9981
314 N A -1.5338
315 I A -1.2440
316 D A -2.1314
317 D A 0.0000
318 C A -0.4138
319 A A -0.2978
320 T A 0.0717
321 A A 0.0000
322 V A 1.3569
323 C A 1.0112
324 F A 0.5959
325 H A -0.9121
326 G A -0.5419
327 A A 0.0622
328 T A 0.1860
329 C A 0.2139
330 H A -0.7054
331 D A -1.3912
332 R A -1.7066
333 V A -0.2776
334 A A -0.2502
335 S A 0.0000
336 F A -0.0570
337 Y A 0.8126
338 C A 0.9523
339 A A 0.4505
340 C A 0.1910
341 P A -0.6107
342 M A -0.7507
343 G A -0.8140
344 K A -1.2876
345 T A -0.8104
346 G A -0.2095
347 L A 0.5396
348 L A 0.0000
349 C A 0.0000
350 H A -0.3101
351 L A -1.1628
352 D A -2.3272
353 D A -1.7953
354 A A -1.2578
355 C A -0.7670
356 V A -0.4398
357 S A -0.7393
358 N A -1.4311
359 P A -1.0534
360 C A -1.1832
361 H A -2.1917
362 E A -2.8682
363 D A -2.2101
364 A A -0.8006
365 I A 1.0016
366 C A 0.1065
367 D A -0.9304
368 T A 0.0000
369 N A 0.0000
370 P A -0.8607
371 V A 0.0000
372 N A -0.6059
373 G A -1.1951
374 R A -1.4689
375 A A -0.4506
376 I A 0.7545
377 C A 0.1920
378 T A 0.4905
379 C A -0.2408
380 P A -0.4030
381 P A -0.4791
382 G A -0.7125
383 F A -1.3169
384 T A -0.9639
385 G A -1.1897
386 G A -0.8676
387 A A -1.0084
388 C A 0.0000
389 D A -2.8425
390 Q A -2.6038
391 D A -1.9446
392 V A -0.7947
393 D A -0.8308
394 E A -0.0753
395 C A 0.0933
396 S A 0.3244
397 I A 1.3981
398 G A 0.3808
399 A A -0.0285
400 N A -0.7261
401 P A -0.6320
402 C A 0.0000
403 E A -2.3062
404 H A -1.8283
405 L A -1.3558
406 G A 0.0000
407 R A -2.2702
408 C A 0.0000
409 V A 0.0794
410 N A -0.3992
411 T A -0.4453
412 Q A -1.7010
413 G A -1.2676
414 S A -0.3110
415 F A 0.3615
416 L A 0.5922
417 C A -0.9461
418 Q A -1.6574
419 C A -1.8049
420 G A -1.7029
421 R A -1.9535
422 G A 0.0000
423 Y A -1.4305
424 T A -1.5525
425 G A -1.3982
426 P A -1.0919
427 R A -2.2859
428 C A 0.0000
429 E A -2.4604
430 T A -1.8056
431 D A -2.1143
432 V A -0.7663
433 N A -0.6751
434 E A -0.6220
435 C A -0.0889
436 L A 1.0337
437 S A 0.2062
438 G A -0.4406
439 P A -0.3497
440 C A -0.7908
441 R A -2.1553
442 N A -1.8990
443 Q A -1.7466
444 A A -0.3473
445 T A 0.2844
446 C A 0.2055
447 L A -0.2883
448 D A -1.5807
449 R A -1.9386
450 I A -0.4517
451 G A 0.0000
452 Q A -1.6221
453 F A -0.6409
454 T A 0.1065
455 C A 0.9627
456 I A 2.1626
457 C A 1.0164
458 M A 0.3784
459 A A 0.4022
460 G A -0.7133
461 F A -0.2494
462 T A 0.1647
463 G A 0.0057
464 T A 0.2914
465 Y A 0.2682
466 C A 0.0000
467 E A -1.1696
468 V A -0.3367
469 D A -1.8944
470 I A -1.5933
471 D A -3.3807
472 E A -3.1318
473 C A -2.2965
474 Q A -2.2814
475 S A -1.3659
476 S A -0.6747
477 P A -0.0694
478 C A 0.2937
479 V A 0.5522
480 N A -0.7443
481 G A -0.2634
482 G A 0.3648
483 V A 1.2314
484 C A -0.4074
485 K A -2.3657
486 D A -3.7106
487 R A -2.9663
488 V A -0.6883
489 N A -1.5497
490 G A -1.5596
491 F A -1.7172
492 S A -0.8440
493 C A 0.1814
494 T A 0.3631
495 C A 0.3597
496 P A -0.3201
497 S A -0.9215
498 G A -1.8255
499 F A -0.9692
500 S A -0.5705
501 G A -0.4836
502 S A -0.2254
503 T A 0.0597
504 C A 0.0000
505 Q A -0.9624
506 L A -0.2873
507 D A -2.3826
508 V A -1.6569
509 D A -2.6297
510 E A -2.2172
511 C A -1.4424
512 A A -0.8161
513 S A -0.5755
514 T A -0.9084
515 P A -0.7046
516 C A 0.0000
517 R A -3.1266
518 N A -2.1855
519 G A -2.1336
520 A A -2.7094
521 K A -2.9293
522 C A -2.2041
523 V A -1.9475
524 D A -3.1716
525 Q A -2.9247
526 P A -2.5162
527 D A -2.8322
528 G A -2.0464
529 Y A -1.8510
530 E A -2.2077
531 C A -2.2231
532 R A -3.0106
533 C A -2.7609
534 A A -1.8527
535 E A -1.7690
536 G A -1.0444
537 F A -2.2529
538 E A -2.7525
539 G A -2.0381
540 T A -1.3197
541 L A -1.4660
542 C A 0.0000
543 D A -3.4883
544 R A -3.5942
545 N A -2.2063
546 V A -1.6048
547 D A -2.1068
548 D A -1.5014
549 C A -1.6515
550 S A -1.6750
551 P A -1.5926
552 D A -2.6444
553 P A -1.7454
554 C A -2.0165
555 H A -2.5169
556 H A -2.0015
557 G A -1.7754
558 R A -2.1072
559 C A 0.0000
560 V A 0.3867
561 D A -0.6700
562 G A 0.4120
563 I A 1.1016
564 A A -0.0660
565 S A 0.1086
566 F A 0.0338
567 S A -0.1119
568 C A -0.8150
569 A A -0.3584
570 C A -0.9398
571 A A -0.8099
572 P A -0.4637
573 G A -0.8877
574 Y A -1.1387
575 T A -1.0680
576 G A -1.2746
577 T A -1.0121
578 R A -2.3171
579 C A 0.0000
580 E A -2.6502
581 S A -1.8851
582 Q A -1.6211
583 V A -1.6375
584 D A -2.7271
585 E A -2.4075
586 C A -2.3680
587 R A -3.0195
588 S A -1.9532
589 Q A -2.6822
590 P A -1.4480
591 C A -1.7801
592 R A -2.7961
593 H A -1.7561
594 G A -2.0031
595 G A -2.2328
596 K A -2.7477
597 C A -1.7312
598 L A -0.8696
599 D A -1.8109
600 L A -0.1192
601 V A 0.0536
602 D A -2.0854
603 K A -1.8020
604 Y A -0.5876
605 L A 0.4675
606 C A -0.9663
607 R A -2.0412
608 C A -1.2831
609 P A -1.3169
610 S A -0.5648
611 G A -0.8015
612 T A 0.0000
613 T A 0.0577
614 G A 0.2771
615 V A 1.4013
616 N A -0.4436
617 C A 0.0000
618 E A -0.5468
619 V A 0.5720
620 N A -0.7408
621 I A -0.4220
622 D A -2.3725
623 D A -2.9939
624 C A 0.0000
625 A A -1.1438
626 S A -1.2182
627 N A -1.2952
628 P A -0.5137
629 C A 0.0974
630 T A 0.4509
631 F A 1.2627
632 G A 0.6787
633 V A 0.8049
634 C A -0.6337
635 R A -2.6106
636 D A -2.8823
637 G A -2.2478
638 I A -0.9439
639 N A -2.2605
640 R A -3.1756
641 Y A -2.7523
642 D A -2.1610
643 C A -0.1033
644 V A 1.1878
645 C A 0.7750
646 Q A -0.6742
647 P A -1.1652
648 G A -1.5898
649 F A -0.3618
650 T A 0.3357
651 G A 0.3103
652 P A 0.0341
653 L A 0.8877
654 C A 0.0000
655 N A -0.2107
656 V A 0.7187
657 E A -1.3779
658 I A -0.8780
659 N A -1.7479
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1996 A A 0.0000
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1998 R A -1.4746
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2246 T A 0.8160
2247 P A 0.0751
2248 S A -0.7063
2249 P A -1.3909
2250 E A -2.1613
2251 S A -1.7592
2252 P A -1.9154
2253 E A -2.2029
2254 H A -1.3516
2255 W A 0.1945
2256 A A 0.2090
2257 S A -0.1951
2258 P A -0.4085
2259 S A -0.5772
2260 P A -0.4498
2261 P A -0.1882
2262 S A 0.2476
2263 L A 0.8369
2264 S A -0.1674
2265 D A -1.0418
2266 W A -0.2711
2267 S A -0.8843
2268 E A -1.8226
2269 S A -1.1999
2270 T A -0.7780
2271 P A -0.6874
2272 S A -0.4921
2273 P A -0.4094
2274 A A -0.1804
2275 T A -0.1148
2276 A A -0.1304
2277 T A -0.2701
2278 G A -0.2442
2279 A A 0.3458
2280 M A 1.0030
2281 A A 0.5513
2282 T A 0.1244
2283 T A -0.2338
2284 T A -0.3418
2285 G A -0.1449
2286 A A 0.5179
2287 L A 1.3535
2288 P A 0.2518
2289 A A -0.1700
2290 Q A -0.9680
2291 P A -0.1321
2292 L A 1.2769
2293 P A 1.2641
2294 L A 2.0457
2295 S A 1.5528
2296 V A 1.8187
2297 P A 0.4310
2298 S A 0.2044
2299 S A 0.3664
2300 L A 1.1640
2301 A A 0.1945
2302 Q A -1.0192
2303 A A -1.1266
2304 Q A -1.7011
2305 T A -0.9933
2306 Q A -0.8361
2307 L A 0.6533
2308 G A -0.3562
2309 P A -0.7758
2310 Q A -1.9587
2311 P A -1.4607
2312 E A -1.3942
2313 V A 0.7361
2314 T A -0.1950
2315 P A -1.2907
2316 K A -3.1277
2317 R A -3.0932
2318 Q A -1.2579
2319 V A 1.6574
2320 L A 2.2541
2321 A A 1.2236
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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 -0.0638 7.2361 View CSV PDB
4.5 -0.1474 7.1629 View CSV PDB
5.0 -0.2481 7.1145 View CSV PDB
5.5 -0.352 7.1145 View CSV PDB
6.0 -0.4469 7.1145 View CSV PDB
6.5 -0.5255 7.1145 View CSV PDB
7.0 -0.5876 7.1145 View CSV PDB
7.5 -0.638 7.1145 View CSV PDB
8.0 -0.68 7.1145 View CSV PDB
8.5 -0.7119 7.1145 View CSV PDB
9.0 -0.73 7.1145 View CSV PDB