Project name: C194Y

Status: done

Started: 2026-06-02 01:53:13
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLYENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:21)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:21)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:23:44)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/24812e1f3f927e1/tmp/folded.pdb                (00:23:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:54:54)
Show buried residues

Minimal score value
-4.8604
Maximal score value
5.8202
Average score
-0.7506
Total score value
-1742.0958

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 0.7145
2 G A -0.2030
3 P A -0.6851
4 G A -1.0079
5 A A -1.5227
6 R A -2.8561
7 G A -2.9405
8 R A -4.0591
9 R A -4.6715
10 R A -4.8604
11 R A -4.6856
12 R A -4.2023
13 R A -3.2635
14 P A -1.3417
15 M A 0.0453
16 S A -0.1781
17 P A -0.3640
18 P A -0.5143
19 P A -0.6788
20 P A -0.6879
21 P A -0.3930
22 P A -0.3263
23 P A -0.0793
24 V A 0.8719
25 R A -0.6333
26 A A 0.7326
27 L A 1.8793
28 P A 2.0553
29 L A 3.8214
30 L A 4.0838
31 L A 3.9661
32 L A 3.8115
33 L A 3.3036
34 A A 1.4942
35 G A 0.1118
36 P A -0.4054
37 G A -0.6629
38 A A -0.2924
39 A A 0.0148
40 A A -0.0560
41 P A -0.6802
42 P A -0.9789
43 C A -0.7257
44 L A 0.4115
45 D A -1.3427
46 G A -0.9834
47 S A -1.1656
48 P A -1.3034
49 C A 0.0000
50 A A -1.5835
51 N A -1.7523
52 G A -1.3529
53 G A 0.0000
54 R A -1.7523
55 C A 0.0000
56 T A -0.5989
57 Q A -1.4504
58 L A -0.9116
59 P A -1.1094
60 S A -1.6441
61 R A -2.8719
62 E A -2.7827
63 A A -1.7496
64 A A -1.2122
65 C A -0.9720
66 L A 0.5059
67 C A -0.2534
68 P A -0.1810
69 P A -0.4419
70 G A -1.0150
71 W A -1.1263
72 V A -0.9086
73 G A -1.1619
74 E A -2.3380
75 R A -2.7814
76 C A 0.0000
77 Q A -1.8979
78 L A -1.5639
79 E A -2.3030
80 D A -1.6338
81 P A -1.4366
82 C A -1.0292
83 H A -1.6105
84 S A -1.1470
85 G A -0.8888
86 P A -0.4495
87 C A -0.8481
88 A A -0.5640
89 G A -0.9661
90 R A -1.6263
91 G A -1.0749
92 V A 0.3953
93 C A -0.3172
94 Q A -0.8674
95 S A -0.5730
96 S A -0.0369
97 V A 0.8202
98 V A 1.6346
99 A A 0.6617
100 G A -0.1499
101 T A -0.1295
102 A A 0.0000
103 R A -1.4399
104 F A -0.8476
105 S A -0.9325
106 C A -1.0204
107 R A -1.7723
108 C A -1.1012
109 P A -1.2104
110 R A -1.7311
111 G A -0.2956
112 F A -0.2229
113 R A -0.6244
114 G A -0.5794
115 P A -0.8641
116 D A -0.9828
117 C A 0.0000
118 S A -0.3179
119 L A 0.4977
120 P A -0.0094
121 D A -0.0841
122 P A 0.1326
123 C A 0.2811
124 L A 0.8107
125 S A 0.2913
126 S A -0.0921
127 P A -0.3450
128 C A -1.1092
129 A A -1.5785
130 H A -1.6462
131 G A -1.2615
132 A A -1.5579
133 R A -1.8515
134 C A -0.2538
135 S A -0.1650
136 V A 0.0722
137 G A -0.6929
138 P A -1.2387
139 D A -2.2798
140 G A -1.5438
141 R A -2.0094
142 F A -0.5641
143 L A -0.1500
144 C A -0.7789
145 S A -0.9366
146 C A -1.2670
147 P A -0.7959
148 P A -0.4811
149 G A -0.7490
150 Y A -1.6766
151 Q A -2.3226
152 G A -2.2914
153 R A -2.1148
154 S A -1.7788
155 C A 0.0000
156 R A -2.8366
157 S A -2.1860
158 D A -1.7504
159 V A -1.0092
160 D A -0.9523
161 E A -0.9980
162 C A -1.2888
163 R A -1.6857
164 V A 0.2121
165 G A -1.0034
166 E A -2.2963
167 P A -1.7098
168 C A 0.0000
169 R A -2.9589
170 H A -2.0739
171 G A -1.8028
172 G A -1.7575
173 T A -1.3500
174 C A -1.4333
175 L A -0.5381
176 N A -1.0118
177 T A -0.6761
178 P A -0.8707
179 G A -0.9736
180 S A -0.6554
181 F A -0.7688
182 R A -1.7730
183 C A 0.0000
184 Q A -1.6290
185 C A -1.2488
186 P A -0.5529
187 A A 0.0813
188 G A 0.1405
189 Y A -0.1594
190 T A -0.1870
191 G A -0.7167
192 P A -0.9435
193 L A -1.2204
194 Y A -1.4118
195 E A -1.7220
196 N A -1.5890
197 P A -0.3411
198 A A 0.4389
199 V A 1.1794
200 P A 0.0000
201 C A -0.1997
202 A A 0.3325
203 P A 0.0521
204 S A -0.6996
205 P A -1.1644
206 C A 0.0000
207 R A -2.8703
208 N A -1.9043
209 G A -1.2934
210 G A -1.6380
211 T A -1.1731
212 C A -1.8177
213 R A -2.8743
214 Q A -2.3524
215 S A -1.7424
216 G A -1.2793
217 D A -1.2139
218 L A 0.4995
219 T A -0.5731
220 Y A -1.5295
221 D A -2.6337
222 C A 0.0000
223 A A -0.8637
224 C A -0.8020
225 L A 0.1868
226 P A 0.0114
227 G A -0.3049
228 F A -0.9743
229 E A -2.0362
230 G A -1.8573
231 Q A -2.3530
232 N A -2.3724
233 C A 0.0000
234 E A -2.3037
235 V A -0.9373
236 N A -0.6868
237 V A -0.6834
238 D A -1.7024
239 D A -1.9034
240 C A -1.6934
241 P A -1.4872
242 G A -1.3692
243 H A -1.6721
244 R A -2.0318
245 C A 0.0000
246 L A 0.0531
247 N A -0.6876
248 G A -0.6196
249 G A -0.8358
250 T A -0.6725
251 C A -0.9261
252 V A -0.5071
253 D A -1.0703
254 G A -0.3190
255 V A 0.6795
256 N A -0.8000
257 T A -0.6412
258 Y A -1.2807
259 N A -1.8456
260 C A -1.3689
261 Q A -1.4240
262 C A -1.1360
263 P A -0.6607
264 P A -0.7408
265 E A -1.4190
266 W A -1.2903
267 T A -1.6031
268 G A -1.5228
269 Q A -1.8378
270 F A -1.3756
271 C A 0.0000
272 T A -1.2293
273 E A -2.1754
274 D A -1.5453
275 V A -1.3650
276 D A -1.8523
277 E A -1.4923
278 C A -1.0148
279 Q A -1.3743
280 L A -0.3334
281 Q A -1.6268
282 P A -1.4749
283 N A -2.1242
284 A A -1.4038
285 C A 0.0000
286 H A -1.8949
287 N A -1.6420
288 G A -0.8560
289 G A -0.0469
290 T A 0.7795
291 C A 0.4450
292 F A 1.5159
293 N A -0.1975
294 T A 0.2923
295 L A 0.6228
296 G A -0.5511
297 G A -0.3664
298 H A -0.4881
299 S A 0.1483
300 C A 0.7160
301 V A 1.9661
302 C A 0.4969
303 V A 0.6152
304 N A -0.2506
305 G A 0.0000
306 W A -0.3580
307 T A -0.8154
308 G A -1.2749
309 E A -2.0090
310 S A -1.4814
311 C A 0.0000
312 S A -1.5484
313 Q A -1.9257
314 N A -1.2458
315 I A -0.7899
316 D A -1.9942
317 D A -1.0400
318 C A -0.5314
319 A A -0.2927
320 T A 0.1101
321 A A 0.7911
322 V A 1.9319
323 C A 1.6312
324 F A 0.9913
325 H A -0.8212
326 G A -0.4922
327 A A 0.2310
328 T A 0.1817
329 C A 0.1667
330 H A -0.9388
331 D A -1.3995
332 R A -1.0916
333 V A 0.3787
334 A A -0.0989
335 S A -0.3022
336 F A 0.0867
337 Y A 0.9866
338 C A 1.3079
339 A A 0.6234
340 C A 0.5926
341 P A 0.1867
342 M A 0.8233
343 G A -0.1467
344 K A -0.9216
345 T A -0.3350
346 G A 0.5380
347 L A 2.1690
348 L A 1.7506
349 C A 0.0000
350 H A -0.0507
351 L A -1.0312
352 D A -2.3142
353 D A -1.4960
354 A A -1.2773
355 C A -0.5532
356 V A 0.5220
357 S A -0.2610
358 N A -1.2738
359 P A -1.2261
360 C A 0.0000
361 H A -2.4420
362 E A -3.0839
363 D A -2.4747
364 A A -1.3756
365 I A 0.0081
366 C A -0.4838
367 D A -0.8671
368 T A 0.0000
369 N A -0.8680
370 P A -0.1704
371 V A 0.2822
372 N A -1.4552
373 G A -1.6700
374 R A -2.4370
375 A A 0.0000
376 I A -0.4292
377 C A 0.0000
378 T A 0.0000
379 C A -0.7062
380 P A 0.0000
381 P A -0.6979
382 G A -0.6803
383 F A -1.4158
384 T A -1.1885
385 G A -1.3458
386 G A -1.0661
387 A A -1.4410
388 C A 0.0000
389 D A -2.9500
390 Q A -2.5790
391 D A -1.9517
392 V A -0.8892
393 D A -0.9096
394 E A 0.0455
395 C A 0.2023
396 S A 0.4544
397 I A 1.6139
398 G A 0.4369
399 A A 0.0192
400 N A -0.3760
401 P A -0.4936
402 C A 0.0000
403 E A -1.9102
404 H A -1.3346
405 L A -0.0696
406 G A 0.0000
407 R A -1.8283
408 C A 0.0000
409 V A 0.1928
410 N A -0.3529
411 T A -0.3760
412 Q A -1.6728
413 G A -1.4179
414 S A -0.1995
415 F A 0.3134
416 L A 0.8746
417 C A -0.6726
418 Q A -1.4505
419 C A -1.5679
420 G A -1.2883
421 R A -1.9552
422 G A -1.2626
423 Y A -1.2188
424 T A -1.4519
425 G A -1.2880
426 P A -0.9490
427 R A -1.9551
428 C A 0.0000
429 E A -2.3462
430 T A -1.6254
431 D A -1.7050
432 V A -0.8614
433 N A -0.8389
434 E A -0.9457
435 C A -0.2113
436 L A 0.9490
437 S A 0.0692
438 G A -0.5654
439 P A -0.3822
440 C A -0.7859
441 R A -2.2389
442 N A -1.9123
443 Q A -1.9086
444 A A -0.7385
445 T A 0.0531
446 C A -0.0357
447 L A -0.2756
448 D A -1.0656
449 R A -1.6486
450 I A -0.0855
451 G A 0.0000
452 Q A -1.6376
453 F A -0.7444
454 T A -0.1783
455 C A 0.3561
456 I A 0.7936
457 C A 0.2394
458 M A 0.0928
459 A A 0.2446
460 G A 0.0000
461 F A -0.3169
462 T A -0.0964
463 G A -0.0472
464 T A 0.2222
465 Y A 0.2459
466 C A 0.0000
467 E A -1.0047
468 V A -0.2569
469 D A -1.7880
470 I A -1.4138
471 D A -2.9874
472 E A -2.8848
473 C A -2.1198
474 Q A -2.1856
475 S A -1.3133
476 S A -0.6350
477 P A -0.2897
478 C A 0.0588
479 V A 0.0658
480 N A -0.7764
481 G A -0.3096
482 G A 0.2677
483 V A 1.1512
484 C A -0.6287
485 K A -2.2640
486 D A -3.5649
487 R A -2.8589
488 V A -0.5907
489 N A -1.4556
490 G A -1.4581
491 F A -1.5817
492 S A -0.8002
493 C A 0.0925
494 T A 0.3597
495 C A 0.3341
496 P A -0.3030
497 S A -0.9695
498 G A -1.9755
499 F A -1.0206
500 S A -0.5259
501 G A -0.4573
502 S A -0.2572
503 T A -0.0143
504 C A 0.0000
505 Q A -0.8962
506 L A -0.2873
507 D A -2.4568
508 V A -1.8938
509 D A -2.9129
510 E A -2.8238
511 C A -1.7385
512 A A -1.0289
513 S A -0.7175
514 T A -0.9134
515 P A -0.7775
516 C A 0.0000
517 R A -2.9577
518 N A -2.4965
519 G A -1.9385
520 A A -2.7145
521 K A -2.9080
522 C A -2.2473
523 V A -1.9532
524 D A -3.3785
525 Q A -2.9345
526 P A -2.5907
527 D A -2.9498
528 G A -2.2063
529 Y A -2.0394
530 E A -2.2323
531 C A -2.2506
532 R A -2.8404
533 C A -2.8376
534 A A -1.9557
535 E A -1.8381
536 G A -1.2527
537 F A -2.6899
538 E A -3.4332
539 G A -2.2959
540 T A -1.3848
541 L A -1.5256
542 C A 0.0000
543 D A -3.7299
544 R A -4.0275
545 N A -2.9949
546 V A -2.0883
547 D A -2.4830
548 D A -1.4709
549 C A -1.6429
550 S A -1.6506
551 P A -1.5648
552 D A -2.6629
553 P A 0.0000
554 C A 0.0000
555 H A -2.5035
556 H A -1.9427
557 G A -1.7902
558 R A -2.1902
559 C A -1.0974
560 V A 0.1044
561 D A -1.0071
562 G A 0.2629
563 I A 1.0146
564 A A -0.1110
565 S A 0.2018
566 F A 0.2421
567 S A -0.0968
568 C A -0.8611
569 A A -0.4883
570 C A -0.8810
571 A A -0.5910
572 P A -0.3724
573 G A -0.7390
574 Y A -0.9320
575 T A -0.8906
576 G A -1.1619
577 T A -0.9757
578 R A -2.3016
579 C A 0.0000
580 E A -2.4202
581 S A -1.6736
582 Q A -1.4294
583 V A -1.2553
584 D A -2.6537
585 E A -2.3997
586 C A 0.0000
587 R A -3.0428
588 S A -2.0133
589 Q A -2.7242
590 P A -1.4269
591 C A -1.7565
592 R A -2.8288
593 H A -1.7145
594 G A -1.9755
595 G A -2.2163
596 K A -2.7988
597 C A 0.0000
598 L A -0.9366
599 D A -1.8600
600 L A -0.2979
601 V A 0.0156
602 D A -2.0679
603 K A -1.8424
604 Y A -0.5426
605 L A 0.5185
606 C A -0.8409
607 R A -2.0188
608 C A -1.1938
609 P A -1.2980
610 S A -0.7063
611 G A -0.7490
612 T A 0.0000
613 T A 0.0503
614 G A 0.2228
615 V A 1.3425
616 N A -0.4673
617 C A 0.0000
618 E A -0.7145
619 V A 0.4924
620 N A -0.7340
621 I A -0.1303
622 D A -2.1499
623 D A -2.6938
624 C A -1.9255
625 A A -0.9967
626 S A -1.1530
627 N A -1.2228
628 P A -0.3413
629 C A 0.0818
630 T A 0.5651
631 F A 1.2524
632 G A 0.6890
633 V A 1.1707
634 C A -0.4734
635 R A -2.7132
636 D A -2.6627
637 G A -2.0589
638 I A -0.7232
639 N A -2.1049
640 R A -3.0365
641 Y A -2.7314
642 D A -2.2942
643 C A -0.3498
644 V A 0.3939
645 C A 0.3566
646 Q A -1.0015
647 P A -1.5043
648 G A -1.9742
649 F A -0.7953
650 T A 0.0397
651 G A 0.1617
652 P A -0.0511
653 L A 0.7026
654 C A 0.0000
655 N A -0.2991
656 V A 0.6037
657 E A -1.7103
658 I A -1.3228
659 N A -2.0607
660 E A -2.2172
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1983 G A -1.6285
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1990 L A -1.1786
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1993 D A -1.7572
1994 H A -0.8910
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1996 A A 0.0000
1997 N A -1.5292
1998 R A -1.4093
1999 E A -1.8636
2000 I A -1.4666
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2002 D A 0.0000
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2012 A A 0.0000
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2245 L A 2.1131
2246 T A 0.8103
2247 P A 0.0329
2248 S A -0.9103
2249 P A -1.4062
2250 E A -2.3610
2251 S A -1.9455
2252 P A -1.8110
2253 E A -2.4606
2254 H A -1.4638
2255 W A 0.1826
2256 A A -0.0313
2257 S A -0.1586
2258 P A -0.4055
2259 S A -0.5883
2260 P A -0.4740
2261 P A -0.2325
2262 S A 0.0877
2263 L A 0.9722
2264 S A -0.0983
2265 D A -1.0255
2266 W A -0.1207
2267 S A -0.9564
2268 E A -1.7893
2269 S A -1.3320
2270 T A -0.7674
2271 P A -0.4991
2272 S A -0.4782
2273 P A -0.4050
2274 A A -0.1327
2275 T A -0.0832
2276 A A -0.1235
2277 T A -0.2746
2278 G A -0.2411
2279 A A 0.3471
2280 M A 1.0047
2281 A A 0.5718
2282 T A 0.1523
2283 T A -0.2345
2284 T A -0.3427
2285 G A -0.1557
2286 A A 0.4820
2287 L A 1.3454
2288 P A 0.3145
2289 A A -0.4330
2290 Q A -1.0060
2291 P A -0.1360
2292 L A 1.3514
2293 P A 1.2437
2294 L A 2.0078
2295 S A 1.4054
2296 V A 1.8139
2297 P A 0.4217
2298 S A 0.2551
2299 S A 0.5034
2300 L A 1.1515
2301 A A 0.1166
2302 Q A -1.0644
2303 A A -1.1888
2304 Q A -1.7035
2305 T A -0.8937
2306 Q A -0.7154
2307 L A 0.5893
2308 G A -0.3730
2309 P A -0.8338
2310 Q A -1.9667
2311 P A -1.4482
2312 E A -1.3343
2313 V A 0.7043
2314 T A -0.0457
2315 P A -1.2462
2316 K A -2.8549
2317 R A -2.8847
2318 Q A -1.1697
2319 V A 1.2600
2320 L A 2.1621
2321 A A 1.1983
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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 -0.0683 7.2321 View CSV PDB
4.5 -0.1518 7.2321 View CSV PDB
5.0 -0.2531 7.2321 View CSV PDB
5.5 -0.3578 7.2321 View CSV PDB
6.0 -0.4536 7.2321 View CSV PDB
6.5 -0.5332 7.2321 View CSV PDB
7.0 -0.596 7.2321 View CSV PDB
7.5 -0.647 7.2321 View CSV PDB
8.0 -0.6898 7.2321 View CSV PDB
8.5 -0.7231 7.2321 View CSV PDB
9.0 -0.7433 7.2321 View CSV PDB