Project name: C55Y_5

Status: done

Started: 2026-05-18 02:47:51
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRYTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:18)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:08)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/6f1bbc54a5406fd/tmp/folded.pdb                (00:18:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:39:38)
Show buried residues

Minimal score value
-2.643
Maximal score value
2.6486
Average score
-0.2868
Total score value
-665.6832

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 0.9642
2 G A -0.3133
3 P A -0.4680
4 G A -0.5224
5 A A -0.4175
6 R A -1.9171
7 G A -1.1341
8 R A -2.3624
9 R A -2.6409
10 R A -2.5594
11 R A -2.6430
12 R A -2.6323
13 R A -2.2356
14 P A -0.4455
15 M A 0.9749
16 S A -0.0640
17 P A -0.3394
18 P A -0.3470
19 P A -0.3474
20 P A -0.3472
21 P A -0.3473
22 P A -0.3477
23 P A 0.0244
24 V A 1.3873
25 R A -1.5077
26 A A 0.0022
27 L A 1.5119
28 P A 0.3149
29 L A 1.7887
30 L A 2.1224
31 L A 2.1215
32 L A 2.1221
33 L A 1.8457
34 A A 0.2587
35 G A -0.5019
36 P A -0.4255
37 G A -0.5024
38 A A -0.0170
39 A A 0.0801
40 A A 0.0230
41 P A -0.2908
42 P A -0.2519
43 C A 0.5053
44 L A 1.2729
45 D A -1.5930
46 G A -0.7956
47 S A -0.1433
48 P A -0.1120
49 C A 0.0000
50 A A -0.1303
51 N A -0.8911
52 G A -0.6129
53 G A 0.0000
54 R A -1.7256
55 Y A 0.2982
56 T A -0.1241
57 Q A -1.0787
58 L A 0.3750
59 P A -0.1777
60 S A -0.5865
61 R A -2.2151
62 E A -2.1498
63 A A -0.4237
64 A A 0.0356
65 C A 0.4587
66 L A 1.6098
67 C A 0.5133
68 P A -0.0699
69 P A -0.2813
70 G A -0.0825
71 W A 0.1721
72 V A 0.3016
73 G A -0.3699
74 E A -2.0694
75 R A -1.6337
76 C A 0.0000
77 Q A -0.4844
78 L A -0.2104
79 E A -1.7786
80 D A -0.5734
81 P A -0.0735
82 C A -0.0822
83 H A -1.0094
84 S A -0.4747
85 G A -0.5166
86 P A -0.1377
87 C A -0.0109
88 A A -0.0027
89 G A -0.5725
90 R A -1.9002
91 G A -0.0491
92 V A 1.7816
93 C A 0.2895
94 Q A -0.8728
95 S A -0.1412
96 S A -0.0616
97 V A 1.0690
98 V A 1.9268
99 A A 0.2983
100 G A -0.4648
101 T A -0.1337
102 A A 0.0000
103 R A -1.6839
104 F A 0.4696
105 S A -0.0371
106 C A -0.2787
107 R A -1.7874
108 C A -0.1424
109 P A -0.3452
110 R A -1.8669
111 G A -0.2979
112 F A 0.7064
113 R A -0.3230
114 G A -0.2767
115 P A -0.4161
116 D A -0.7893
117 C A 0.0000
118 S A -0.0380
119 L A 0.6188
120 P A -0.0839
121 D A -0.3700
122 P A -0.0876
123 C A 0.2174
124 L A 0.6425
125 S A -0.1311
126 S A -0.2592
127 P A -0.0710
128 C A 0.0713
129 A A -0.1260
130 H A -0.9121
131 G A -0.6151
132 A A -0.3937
133 R A -1.8052
134 C A -0.1701
135 S A -0.0641
136 V A 0.5917
137 G A 0.0192
138 P A -0.5841
139 D A -1.8487
140 G A -0.6459
141 R A -1.3412
142 F A 0.2701
143 L A 1.0459
144 C A 0.2624
145 S A -0.1504
146 C A 0.1902
147 P A -0.0714
148 P A -0.2825
149 G A -0.0817
150 Y A -0.1879
151 Q A -1.2559
152 G A -1.0124
153 R A -1.8720
154 S A -0.3568
155 C A 0.0000
156 R A -1.8831
157 S A -0.7085
158 D A -0.8141
159 V A 0.1182
160 D A -0.3889
161 E A -0.9683
162 C A -0.3782
163 R A -1.4999
164 V A 1.3859
165 G A -0.2911
166 E A -1.8788
167 P A -0.3697
168 C A 0.0000
169 R A -1.6679
170 H A -1.2568
171 G A -0.6383
172 G A -0.1264
173 T A -0.0578
174 C A 0.2338
175 L A 0.4948
176 N A -0.4170
177 T A 0.0000
178 P A -0.2687
179 G A -0.1671
180 S A -0.1132
181 F A -0.0502
182 R A -1.7535
183 C A -0.4557
184 Q A -1.1382
185 C A -0.0170
186 P A -0.0549
187 A A 0.0092
188 G A -0.0796
189 Y A 0.3174
190 T A 0.0240
191 G A -0.1898
192 P A -0.2038
193 L A 0.3843
194 C A 0.0000
195 E A -0.9545
196 N A -1.3461
197 P A -0.4046
198 A A 0.2617
199 V A 1.4220
200 P A 0.2547
201 C A 0.1237
202 A A -0.0163
203 P A -0.2791
204 S A -0.2436
205 P A -0.0825
206 C A -0.2993
207 R A -1.9828
208 N A -1.2501
209 G A -0.6235
210 G A -0.1147
211 T A -0.0604
212 C A -0.2459
213 R A -2.0492
214 Q A -1.5141
215 S A -0.4070
216 G A -0.5434
217 D A -1.5423
218 L A 1.2146
219 T A 0.2849
220 Y A -0.0700
221 D A -1.7028
222 C A 0.0000
223 A A 0.0693
224 C A 0.3887
225 L A 0.8472
226 P A -0.1110
227 G A -0.2595
228 F A -0.1537
229 E A -1.8156
230 G A -0.7726
231 Q A -1.2741
232 N A -0.4030
233 C A 0.0000
234 E A -0.6289
235 V A 0.9154
236 N A 0.0156
237 V A 0.6215
238 D A -1.7630
239 D A -1.2038
240 C A -0.1157
241 P A -0.3242
242 G A -0.6027
243 H A -0.9108
244 R A -1.9203
245 C A 0.0278
246 L A 1.2662
247 N A -0.6474
248 G A -0.6223
249 G A -0.1195
250 T A -0.0615
251 C A 0.2873
252 V A 0.9528
253 D A -0.4808
254 G A 0.1329
255 V A 1.5256
256 N A -0.9698
257 T A -0.2431
258 Y A -0.1272
259 N A -1.2184
260 C A -0.3642
261 Q A -1.1520
262 C A -0.0718
263 P A -0.0715
264 P A -0.3613
265 E A -0.5713
266 W A 0.0156
267 T A -0.0567
268 G A -0.4905
269 Q A -1.1964
270 F A 0.0725
271 C A 0.0000
272 T A -0.4042
273 E A -1.8870
274 D A -0.5800
275 V A -0.1855
276 D A -1.6578
277 E A -0.4041
278 C A -0.1366
279 Q A -0.8937
280 L A 1.0837
281 Q A -0.9632
282 P A -0.7005
283 N A -1.3179
284 A A -0.2215
285 C A 0.0000
286 H A -1.0837
287 N A -1.0463
288 G A -0.6187
289 G A -0.1279
290 T A -0.0460
291 C A 0.4795
292 F A 1.8740
293 N A -0.1696
294 T A 0.1005
295 L A 1.5047
296 G A 0.0385
297 G A -0.1749
298 H A -0.4254
299 S A -0.2302
300 C A 0.4004
301 V A 1.8237
302 C A 0.6811
303 V A 0.7780
304 N A -1.0932
305 G A 0.0000
306 W A 0.1256
307 T A -0.0393
308 G A -0.5747
309 E A -1.8739
310 S A -0.3855
311 C A 0.0000
312 S A -0.4313
313 Q A -1.3062
314 N A -0.4195
315 I A 0.4420
316 D A -1.6812
317 D A -0.5711
318 C A 0.0866
319 A A 0.0704
320 T A -0.0459
321 A A 0.1846
322 V A 0.9623
323 C A 0.4295
324 F A 0.5888
325 H A -0.9379
326 G A -0.6445
327 A A -0.0588
328 T A -0.0415
329 C A 0.0399
330 H A -0.5948
331 D A -0.8590
332 R A -1.6582
333 V A 1.1897
334 A A 0.2821
335 S A -0.2502
336 F A 0.3410
337 Y A 0.9240
338 C A 0.2546
339 A A 0.0907
340 C A 0.2584
341 P A 0.1444
342 M A 1.0236
343 G A 0.0230
344 K A -0.6648
345 T A -0.0931
346 G A 0.1816
347 L A 1.5365
348 L A 0.0000
349 C A 0.0000
350 H A -0.3129
351 L A -0.1480
352 D A -1.8551
353 D A -0.7297
354 A A -0.0361
355 C A 0.3269
356 V A 1.2877
357 S A -0.2012
358 N A -1.3337
359 P A -0.3555
360 C A 0.0000
361 H A 0.0000
362 E A -0.7317
363 D A -0.9621
364 A A 0.2451
365 I A 2.0354
366 C A 0.2117
367 D A -1.7614
368 T A 0.0000
369 N A -0.2990
370 P A 0.0089
371 V A 1.5370
372 N A -0.7371
373 G A -0.6058
374 R A -1.8564
375 A A -0.0796
376 I A 1.3819
377 C A 0.3519
378 T A 0.1888
379 C A 0.1890
380 P A 0.0000
381 P A -0.2723
382 G A -0.1059
383 F A 0.0000
384 T A -0.1371
385 G A -0.2591
386 G A -0.4933
387 A A -0.0595
388 C A 0.0000
389 D A -1.9644
390 Q A -1.3832
391 D A -0.6058
392 V A 0.2773
393 D A -0.4030
394 E A -0.9530
395 C A -0.0395
396 S A 0.1473
397 I A 0.8356
398 G A -0.0147
399 A A -0.2047
400 N A -1.2541
401 P A -0.2539
402 C A 0.0000
403 E A -1.7861
404 H A -0.4530
405 L A 1.4719
406 G A 0.0000
407 R A -1.9673
408 C A 0.0000
409 V A 0.4957
410 N A -0.1151
411 T A -0.2514
412 Q A -1.2148
413 G A -0.3315
414 S A -0.1059
415 F A 0.5924
416 L A 1.3752
417 C A 0.0000
418 Q A -1.3465
419 C A -0.0540
420 G A -0.5892
421 R A -1.9064
422 G A -0.1128
423 Y A 0.0130
424 T A -0.0279
425 G A -0.1942
426 P A -0.5529
427 R A -1.5741
428 C A 0.0000
429 E A -1.3884
430 T A -0.5674
431 D A -1.3648
432 V A 0.1126
433 N A -0.6995
434 E A -0.8014
435 C A 0.2684
436 L A 1.5304
437 S A -0.0145
438 G A -0.5114
439 P A -0.1058
440 C A -0.1758
441 R A -1.9522
442 N A -1.2263
443 Q A -1.3177
444 A A -0.1976
445 T A -0.0422
446 C A 0.2283
447 L A 0.4511
448 D A -0.6201
449 R A -1.4305
450 I A 1.6712
451 G A 0.0000
452 Q A -1.1250
453 F A 0.1125
454 T A 0.0472
455 C A 0.4634
456 I A 2.0690
457 C A 0.6832
458 M A 0.5337
459 A A 0.1366
460 G A -0.2471
461 F A -0.0529
462 T A -0.0534
463 G A -0.2713
464 T A 0.0052
465 Y A 0.6655
466 C A 0.0000
467 E A -0.6073
468 V A 0.7113
469 D A -1.3269
470 I A 0.5396
471 D A -1.7654
472 E A -1.3846
473 C A -0.3097
474 Q A -1.2194
475 S A -0.4680
476 S A -0.2588
477 P A -0.0683
478 C A 0.2674
479 V A 0.9431
480 N A -0.8622
481 G A -0.6524
482 G A 0.1984
483 V A 1.7872
484 C A 0.2528
485 K A -1.5435
486 D A -2.2727
487 R A -1.7809
488 V A 1.2041
489 N A -0.9810
490 G A -0.2345
491 F A 0.1632
492 S A 0.0828
493 C A 0.0979
494 T A 0.0014
495 C A 0.1363
496 P A -0.1203
497 S A -0.2449
498 G A -0.3367
499 F A 0.0989
500 S A 0.0468
501 G A -0.3900
502 S A -0.2760
503 T A -0.0422
504 C A 0.0000
505 Q A -0.9645
506 L A 0.7406
507 D A -1.3900
508 V A -0.0099
509 D A -1.8442
510 E A -1.2619
511 C A -0.0594
512 A A 0.0385
513 S A -0.2149
514 T A -0.1154
515 P A -0.0504
516 C A 0.0000
517 R A -2.0310
518 N A -1.4395
519 G A -0.6468
520 A A -0.3517
521 K A -1.6859
522 C A -0.1647
523 V A 0.0541
524 D A -1.8472
525 Q A -1.4366
526 P A -0.7646
527 D A -1.8650
528 G A -0.4459
529 Y A -0.0428
530 E A -1.5941
531 C A -0.5543
532 R A -1.7798
533 C A -0.0604
534 A A -0.2518
535 E A -1.8283
536 G A -0.3471
537 F A 0.0157
538 E A -1.0315
539 G A -0.6475
540 T A -0.0674
541 L A 0.4666
542 C A 0.0000
543 D A -2.1200
544 R A -2.2215
545 N A -0.4802
546 V A 0.3807
547 D A -1.7912
548 D A -1.0706
549 C A -0.2417
550 S A -0.2597
551 P A -0.6274
552 D A -1.8263
553 P A -0.3472
554 C A 0.0000
555 H A -1.0802
556 H A -0.7053
557 G A -0.5110
558 R A -1.8481
559 C A -0.0679
560 V A 0.6532
561 D A -1.5458
562 G A -0.1224
563 I A 1.9937
564 A A 0.3672
565 S A -0.0369
566 F A 0.4610
567 S A -0.0597
568 C A 0.0726
569 A A -0.0901
570 C A 0.2400
571 A A 0.0131
572 P A -0.2586
573 G A -0.3163
574 Y A 0.0360
575 T A -0.0420
576 G A -0.2556
577 T A -0.2963
578 R A -1.0414
579 C A 0.0000
580 E A -1.7836
581 S A -0.6375
582 Q A -1.0944
583 V A 0.1225
584 D A -0.9837
585 E A -0.4664
586 C A -0.3090
587 R A -1.8694
588 S A -0.7601
589 Q A -1.2433
590 P A -0.2413
591 C A -0.2938
592 R A -1.9668
593 H A -1.1668
594 G A -0.6095
595 G A -0.4157
596 K A -1.7110
597 C A 0.0000
598 L A 0.0630
599 D A -1.5701
600 L A 0.6200
601 V A 1.5643
602 D A -1.7779
603 K A -1.9612
604 Y A 0.0703
605 L A 1.4550
606 C A -0.0085
607 R A -1.7833
608 C A -0.0974
609 P A -0.1188
610 S A -0.2472
611 G A -0.2330
612 T A 0.0000
613 T A -0.0846
614 G A 0.0918
615 V A 1.6923
616 N A 0.1011
617 C A 0.0000
618 E A -0.3843
619 V A 0.8550
620 N A -0.2922
621 I A 0.9725
622 D A -1.6727
623 D A -1.1290
624 C A 0.0000
625 A A 0.0208
626 S A -0.4268
627 N A -1.3205
628 P A -0.2844
629 C A 0.0000
630 T A 0.0915
631 F A 0.8758
632 G A 0.3580
633 V A 1.8843
634 C A 0.1112
635 R A -1.9251
636 D A -0.8010
637 G A -0.1954
638 I A 0.8238
639 N A -1.4109
640 R A -1.9577
641 Y A -0.0389
642 D A -1.6484
643 C A -0.0174
644 V A 1.2702
645 C A 0.2062
646 Q A -0.8102
647 P A -0.3990
648 G A 0.0000
649 F A -0.0454
650 T A -0.0288
651 G A -0.2160
652 P A -0.1647
653 L A 0.6308
654 C A 0.0000
655 N A -0.9561
656 V A 1.2171
657 E A -1.3061
658 I A 0.3419
659 N A -1.1767
660 E A -0.6012
661 C A 0.0832
662 A A 0.0457
663 S A -0.2402
664 S A -0.2635
665 P A -0.0952
666 C A 0.0365
667 G A -0.4499
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1950 N A -0.3054
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1953 E A -1.7256
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5319
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1967 M A -0.0497
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1971 K A -1.4158
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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
1978 L A 0.0000
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1980 A A 0.0000
1981 R A -0.6063
1982 E A -1.6775
1983 G A -0.4544
1984 S A 0.0000
1985 Y A 0.0992
1986 E A -1.5569
1987 A A 0.0000
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1989 K A -1.5536
1990 L A -0.2150
1991 L A 0.0000
1992 L A 0.0597
1993 D A -1.7860
1994 H A -0.2498
1995 F A 1.9112
1996 A A 0.0000
1997 N A -0.4845
1998 R A -0.8636
1999 E A -1.8463
2000 I A -0.0151
2001 T A -0.1039
2002 D A 0.0000
2003 H A -0.6261
2004 L A 1.0670
2005 D A -1.5846
2006 R A -0.6338
2007 L A 0.3415
2008 P A 0.0000
2009 R A -1.1473
2010 D A -1.1691
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -1.0076
2015 R A -0.4090
2016 L A -0.0201
2017 H A -0.3120
2018 Q A -0.9849
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2266 W A 0.6868
2267 S A -0.4517
2268 E A -1.9169
2269 S A -0.5897
2270 T A -0.1674
2271 P A -0.3146
2272 S A -0.3224
2273 P A -0.2903
2274 A A -0.0058
2275 T A -0.0486
2276 A A 0.0311
2277 T A -0.1544
2278 G A -0.4656
2279 A A 0.1358
2280 M A 1.0794
2281 A A 0.3152
2282 T A -0.0774
2283 T A -0.1023
2284 T A -0.1879
2285 G A -0.4706
2286 A A 0.2681
2287 L A 1.5122
2288 P A 0.0407
2289 A A -0.2717
2290 Q A -1.2323
2291 P A -0.1830
2292 L A 1.4525
2293 P A 0.3116
2294 L A 1.4507
2295 S A 0.4926
2296 V A 1.6850
2297 P A 0.0293
2298 S A -0.3033
2299 S A 0.0359
2300 L A 1.5219
2301 A A 0.2116
2302 Q A -1.1752
2303 A A -0.4117
2304 Q A -1.2042
2305 T A -0.5765
2306 Q A -0.9147
2307 L A 1.2022
2308 G A -0.1321
2309 P A -0.5748
2310 Q A -1.3046
2311 P A -0.8866
2312 E A -1.5206
2313 V A 1.4006
2314 T A 0.2041
2315 P A -0.6695
2316 K A -2.1041
2317 R A -2.3933
2318 Q A -1.2203
2319 V A 1.8363
2320 L A 1.8945
2321 A A 0.4414
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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 -0.0136 4.6638 View CSV PDB
4.5 -0.0463 4.6638 View CSV PDB
5.0 -0.0858 4.6638 View CSV PDB
5.5 -0.1267 4.6638 View CSV PDB
6.0 -0.1637 4.6638 View CSV PDB
6.5 -0.1939 4.6638 View CSV PDB
7.0 -0.2169 4.6638 View CSV PDB
7.5 -0.235 4.6638 View CSV PDB
8.0 -0.2498 4.6638 View CSV PDB
8.5 -0.2608 4.6638 View CSV PDB
9.0 -0.2669 4.6638 View CSV PDB