Project name: C134R

Status: done

Started: 2026-05-15 07:48:23
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARRSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:40)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:41)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:38:25)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/d6a677e6c265aab/tmp/folded.pdb                (00:38:25)
[INFO]       Main:     Simulation completed successfully.                                          (01:14:50)
Show buried residues

Minimal score value
-4.8309
Maximal score value
5.396
Average score
-0.7528
Total score value
-1747.269

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 0.7102
2 G A -0.1794
3 P A -0.6390
4 G A -1.0324
5 A A -1.5098
6 R A -2.8783
7 G A -3.0033
8 R A -4.0534
9 R A -4.3650
10 R A -4.8309
11 R A -4.8063
12 R A -3.9983
13 R A -3.2226
14 P A -1.4114
15 M A 0.0099
16 S A -0.2176
17 P A -0.3286
18 P A -0.5165
19 P A -0.6869
20 P A -0.7007
21 P A -0.3958
22 P A -0.3423
23 P A -0.0848
24 V A 0.8598
25 R A -0.6649
26 A A 0.5534
27 L A 1.8142
28 P A 1.6688
29 L A 3.2769
30 L A 3.8450
31 L A 3.9486
32 L A 3.6566
33 L A 2.8205
34 A A 1.1194
35 G A -0.0146
36 P A -0.4821
37 G A -0.6524
38 A A -0.2733
39 A A -0.2868
40 A A -0.3468
41 P A -1.0799
42 P A -0.9722
43 C A 0.0000
44 L A 0.1430
45 D A -1.3338
46 G A -0.9117
47 S A -0.6957
48 P A -0.9015
49 C A -1.0142
50 A A -1.3233
51 N A -1.7058
52 G A -1.2394
53 G A -1.1089
54 R A -1.4809
55 C A -0.1148
56 T A -0.6588
57 Q A -1.8213
58 L A -1.3755
59 P A -1.3749
60 S A -1.8440
61 R A -3.0963
62 E A -2.8310
63 A A 0.0000
64 A A -0.8754
65 C A -0.2846
66 L A 0.6520
67 C A -0.0362
68 P A -0.1983
69 P A -0.4470
70 G A -1.0141
71 W A -1.0537
72 V A -0.7790
73 G A -0.8778
74 E A -1.8734
75 R A -1.7499
76 C A 0.0000
77 Q A -1.7770
78 L A -1.5129
79 E A -2.3572
80 D A -1.6530
81 P A -1.4334
82 C A -1.0355
83 H A -1.5527
84 S A -1.1514
85 G A -0.8596
86 P A -0.3869
87 C A -0.7641
88 A A -0.5463
89 G A -1.0158
90 R A -1.6540
91 G A -1.1138
92 V A 0.4377
93 C A -0.3419
94 Q A -0.9207
95 S A -0.5962
96 S A -0.0711
97 V A 0.8399
98 V A 1.6478
99 A A 0.6614
100 G A -0.1819
101 T A -0.1221
102 A A 0.0000
103 R A -1.3973
104 F A -0.6722
105 S A -0.8859
106 C A -0.9858
107 R A -1.7986
108 C A -1.2130
109 P A -1.3677
110 R A -1.9673
111 G A -0.7185
112 F A -0.6494
113 R A -0.9632
114 G A -0.6651
115 P A -0.8049
116 D A -0.8263
117 C A 0.0000
118 S A -0.3200
119 L A 0.2894
120 P A -0.1724
121 D A -0.4037
122 P A 0.1139
123 C A 0.0872
124 L A 0.3571
125 S A 0.0112
126 S A -0.1026
127 P A -0.8817
128 C A -1.5554
129 A A -1.8706
130 H A -1.7530
131 G A -1.5512
132 A A 0.0000
133 R A -2.8532
134 R A -2.2729
135 S A -0.6949
136 V A 0.3408
137 G A 0.0000
138 P A -0.9776
139 D A -2.0964
140 G A -1.0823
141 R A -1.0674
142 F A -0.2812
143 L A 0.1297
144 C A -1.2969
145 S A -1.4500
146 C A -1.6598
147 P A -0.8873
148 P A -0.5546
149 G A -0.7951
150 Y A -1.8853
151 Q A -2.4672
152 G A -2.5014
153 R A -2.3838
154 S A -2.0165
155 C A 0.0000
156 R A -3.0021
157 S A -2.3426
158 D A -1.9651
159 V A -0.9794
160 D A -0.8446
161 E A -0.9288
162 C A -1.1823
163 R A -1.5916
164 V A 0.2906
165 G A -0.9691
166 E A -2.2242
167 P A -1.6575
168 C A 0.0000
169 R A -2.8297
170 H A -2.0944
171 G A -1.7045
172 G A -1.7052
173 T A -1.2719
174 C A -1.3604
175 L A -0.6026
176 N A -1.0717
177 T A 0.0000
178 P A -0.9215
179 G A -1.0429
180 S A -0.6699
181 F A -0.7363
182 R A -1.7895
183 C A -1.6062
184 Q A -1.5139
185 C A -1.2588
186 P A -0.6204
187 A A -0.0075
188 G A 0.0266
189 Y A -0.4379
190 T A -0.6960
191 G A -0.9522
192 P A -1.0803
193 L A -1.3420
194 C A 0.0000
195 E A -1.8609
196 N A -1.6462
197 P A -0.4284
198 A A 0.3098
199 V A 1.0678
200 P A -0.0686
201 C A -0.2347
202 A A 0.2810
203 P A 0.0289
204 S A -0.6698
205 P A -1.0806
206 C A -2.2186
207 R A -3.0421
208 N A -2.1013
209 G A -1.3980
210 G A -1.6135
211 T A -1.2009
212 C A -1.8264
213 R A -2.9068
214 Q A -2.4084
215 S A -1.8122
216 G A -1.3588
217 D A -1.3104
218 L A 0.3236
219 T A -0.6508
220 Y A -1.5542
221 D A -2.7746
222 C A 0.0000
223 A A -0.9302
224 C A -0.8949
225 L A 0.1462
226 P A -0.0079
227 G A -0.4036
228 F A -1.1898
229 E A -2.2122
230 G A -1.9884
231 Q A -2.4407
232 N A -2.5204
233 C A 0.0000
234 E A -2.6248
235 V A -1.0634
236 N A -0.8848
237 V A -1.0017
238 D A -1.6991
239 D A -1.6219
240 C A -1.5294
241 P A -1.2866
242 G A -1.2392
243 H A -1.4766
244 R A -2.0470
245 C A 0.0000
246 L A -0.1388
247 N A -0.6755
248 G A -0.6000
249 G A -0.8419
250 T A -0.6607
251 C A -0.8323
252 V A -0.4477
253 D A -1.0431
254 G A -0.3574
255 V A 0.6491
256 N A -0.7249
257 T A -0.7121
258 Y A -1.3106
259 N A -1.7649
260 C A -1.3174
261 Q A -1.3871
262 C A -1.0939
263 P A -0.6349
264 P A -0.6761
265 E A -1.1447
266 W A -1.1379
267 T A -1.4685
268 G A -1.4563
269 Q A -1.8487
270 F A -1.2161
271 C A 0.0000
272 T A -1.0481
273 E A -2.0568
274 D A -1.3414
275 V A -1.0833
276 D A -1.5714
277 E A -1.4496
278 C A -1.2342
279 Q A -1.3725
280 L A -0.1362
281 Q A -1.5170
282 P A -1.4657
283 N A -2.1102
284 A A -1.5659
285 C A 0.0000
286 H A -1.9398
287 N A -1.5264
288 G A -1.1380
289 G A -0.6425
290 T A -0.1310
291 C A -0.4545
292 F A -0.0167
293 N A -0.7106
294 T A 0.0561
295 L A 0.3982
296 G A -0.6500
297 G A -0.3941
298 H A -0.7906
299 S A -0.5315
300 C A -0.2060
301 V A 0.2080
302 C A -0.2366
303 V A 0.2706
304 N A -0.4411
305 G A 0.0000
306 W A -0.5487
307 T A -1.0390
308 G A -1.4744
309 E A -2.2019
310 S A -1.6549
311 C A 0.0000
312 S A -1.5982
313 Q A -1.9066
314 N A -1.1148
315 I A -0.4991
316 D A -1.5122
317 D A -0.6845
318 C A -0.4299
319 A A 0.1144
320 T A 0.2323
321 A A 0.7766
322 V A 2.0024
323 C A 1.5428
324 F A 0.9927
325 H A -0.7674
326 G A -0.4757
327 A A 0.2365
328 T A 0.1220
329 C A 0.1652
330 H A -0.9953
331 D A -1.6172
332 R A -0.4119
333 V A 0.8373
334 A A 0.0647
335 S A -0.0452
336 F A 0.2537
337 Y A 0.7498
338 C A 0.0000
339 A A 0.4852
340 C A 0.4435
341 P A 0.1590
342 M A 0.8250
343 G A 0.0076
344 K A -0.9462
345 T A -0.5853
346 G A 0.2295
347 L A 1.2613
348 L A 1.5213
349 C A 0.0000
350 H A -0.1733
351 L A -1.2002
352 D A -2.2825
353 D A -1.3330
354 A A -1.0595
355 C A -0.2051
356 V A 0.8726
357 S A -0.0079
358 N A -0.9602
359 P A -0.9845
360 C A -1.2756
361 H A -2.2128
362 E A -2.9195
363 D A -2.2931
364 A A -0.9692
365 I A 0.7408
366 C A -0.0277
367 D A -0.6495
368 T A 0.0000
369 N A -0.7871
370 P A -0.5802
371 V A -0.2150
372 N A -1.2550
373 G A -1.7907
374 R A -2.2330
375 A A -0.8335
376 I A 0.3379
377 C A -0.0905
378 T A 0.2166
379 C A -0.3510
380 P A 0.0000
381 P A -0.5329
382 G A -0.7870
383 F A -1.5045
384 T A -1.2439
385 G A -1.4029
386 G A -0.9019
387 A A -1.2433
388 C A 0.0000
389 D A -2.9495
390 Q A -2.6532
391 D A -2.1153
392 V A -1.0209
393 D A -0.9712
394 E A -0.2346
395 C A -0.1634
396 S A 0.1268
397 I A 1.2352
398 G A 0.1443
399 A A -0.5056
400 N A -1.5328
401 P A -1.2081
402 C A 0.0000
403 E A -2.6493
404 H A -1.5552
405 L A -0.0392
406 G A 0.0000
407 R A -2.1750
408 C A 0.0000
409 V A 0.0065
410 N A -0.4839
411 T A -0.4857
412 Q A -1.7480
413 G A -1.4870
414 S A -0.3306
415 F A 0.3223
416 L A 0.5947
417 C A 0.0000
418 Q A -1.5583
419 C A -1.6755
420 G A -1.4584
421 R A -1.9672
422 G A 0.0000
423 Y A -1.3700
424 T A -1.6068
425 G A -1.3386
426 P A -1.1223
427 R A -2.3693
428 C A 0.0000
429 E A -2.6987
430 T A -1.8773
431 D A -1.8418
432 V A -0.7804
433 N A -0.5924
434 E A -0.4805
435 C A 0.0317
436 L A 1.0912
437 S A 0.1782
438 G A -0.4984
439 P A -0.3439
440 C A -0.9525
441 R A -2.3235
442 N A -2.1137
443 Q A -1.9450
444 A A -0.9423
445 T A -0.4354
446 C A -0.1576
447 L A 0.0000
448 D A -0.5876
449 R A -0.7993
450 I A 0.2441
451 G A -0.9935
452 Q A -1.3318
453 F A -0.5260
454 T A -0.2076
455 C A 0.0251
456 I A 0.0744
457 C A -0.0047
458 M A 0.0110
459 A A 0.2476
460 G A 0.0000
461 F A -0.3881
462 T A -0.2070
463 G A -0.1897
464 T A 0.0671
465 Y A 0.0343
466 C A 0.0000
467 E A -1.1364
468 V A -0.3103
469 D A -1.7815
470 I A -1.4381
471 D A -2.7110
472 E A -2.7365
473 C A -1.9860
474 Q A -2.0967
475 S A -1.2520
476 S A -0.4597
477 P A -0.1625
478 C A 0.2824
479 V A 0.5118
480 N A -0.7462
481 G A -0.2536
482 G A 0.3720
483 V A 1.2473
484 C A -0.4476
485 K A -2.1127
486 D A -3.4347
487 R A -2.7925
488 V A -0.4838
489 N A -1.4274
490 G A -1.4080
491 F A -1.4623
492 S A -0.7456
493 C A 0.2189
494 T A 0.3872
495 C A 0.3614
496 P A -0.3286
497 S A -0.9313
498 G A -1.8304
499 F A -0.9982
500 S A -0.4097
501 G A -0.5249
502 S A -0.2434
503 T A 0.0367
504 C A 0.0000
505 Q A -0.9846
506 L A -0.3258
507 D A -2.4005
508 V A -1.6732
509 D A -2.6427
510 E A -2.2140
511 C A -1.4464
512 A A -0.8429
513 S A -0.5693
514 T A -0.7951
515 P A -0.6833
516 C A 0.0000
517 R A -3.1710
518 N A -3.1835
519 G A -2.2611
520 A A -2.8808
521 K A -2.9936
522 C A -2.0040
523 V A -1.8978
524 D A -3.2004
525 Q A -2.7852
526 P A -2.4686
527 D A -2.8070
528 G A -2.0208
529 Y A -1.8705
530 E A -2.2594
531 C A -2.2496
532 R A -2.8162
533 C A -2.8257
534 A A -1.9972
535 E A -1.7480
536 G A -1.2630
537 F A -2.5642
538 E A -2.9605
539 G A -1.9966
540 T A -1.3443
541 L A -1.7230
542 C A 0.0000
543 D A -3.7832
544 R A -3.9454
545 N A -3.0438
546 V A -1.8990
547 D A -2.5715
548 D A -1.7778
549 C A -1.8850
550 S A -1.7246
551 P A -1.5836
552 D A -2.7484
553 P A -1.9103
554 C A 0.0000
555 H A -2.4975
556 H A -1.9847
557 G A -1.8194
558 R A -2.2441
559 C A -1.2964
560 V A -0.2443
561 D A -1.6418
562 G A -0.1607
563 I A 0.8124
564 A A -0.2877
565 S A -0.0876
566 F A -0.2381
567 S A -0.3407
568 C A -0.9537
569 A A -0.4720
570 C A -0.8865
571 A A -0.4643
572 P A -0.3717
573 G A -0.7225
574 Y A -0.9559
575 T A -0.9207
576 G A -1.0860
577 T A -1.0053
578 R A -2.3056
579 C A 0.0000
580 E A -2.5384
581 S A -1.7218
582 Q A -1.4419
583 V A -1.2618
584 D A -2.5962
585 E A -2.3519
586 C A 0.0000
587 R A -3.0265
588 S A -2.0126
589 Q A -2.7269
590 P A -1.3912
591 C A 0.0000
592 R A -2.7983
593 H A -1.6749
594 G A -1.9778
595 G A -2.1867
596 K A -2.7770
597 C A 0.0000
598 L A -0.8438
599 D A -1.7794
600 L A -0.1931
601 V A 0.0503
602 D A -2.0473
603 K A -1.7875
604 Y A -0.4669
605 L A 0.7043
606 C A -0.7817
607 R A -1.9959
608 C A -1.1725
609 P A -1.3108
610 S A -0.7238
611 G A -0.7962
612 T A 0.0000
613 T A 0.0870
614 G A 0.2399
615 V A 1.3816
616 N A -0.4365
617 C A 0.0000
618 E A -0.6413
619 V A 0.5678
620 N A -0.8503
621 I A -0.3374
622 D A -2.5462
623 D A -3.1042
624 C A -2.2474
625 A A -1.1972
626 S A -1.1885
627 N A -1.2430
628 P A -0.2981
629 C A 0.3224
630 T A 0.6152
631 F A 1.4595
632 G A 1.1648
633 V A 1.4554
634 C A -0.3922
635 R A -2.8919
636 D A -3.6672
637 G A -2.5373
638 I A -1.1700
639 N A -2.3936
640 R A -3.2158
641 Y A -2.7475
642 D A -1.6995
643 C A 0.2244
644 V A 1.3788
645 C A 1.0891
646 Q A -0.3320
647 P A -1.1608
648 G A -1.8289
649 F A -0.4547
650 T A 0.3000
651 G A 0.2468
652 P A 0.0830
653 L A 0.8503
654 C A 0.0000
655 N A -0.2131
656 V A 0.6274
657 E A -1.4371
658 I A -0.9838
659 N A -1.8440
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2245 L A 2.0491
2246 T A 0.8686
2247 P A -0.1138
2248 S A -0.8775
2249 P A -1.4235
2250 E A -2.3613
2251 S A -1.7322
2252 P A -2.0217
2253 E A -2.4164
2254 H A -1.2740
2255 W A 0.1897
2256 A A 0.2092
2257 S A -0.1543
2258 P A -0.3976
2259 S A -0.5989
2260 P A -0.4656
2261 P A -0.2570
2262 S A 0.2816
2263 L A 0.8593
2264 S A -0.0910
2265 D A -1.0131
2266 W A -0.2525
2267 S A -0.8846
2268 E A -1.7942
2269 S A -1.3123
2270 T A -0.7367
2271 P A -0.4970
2272 S A -0.4741
2273 P A -0.4026
2274 A A -0.1309
2275 T A -0.1301
2276 A A -0.1361
2277 T A -0.3217
2278 G A -0.2547
2279 A A 0.3398
2280 M A 1.0058
2281 A A 0.5903
2282 T A 0.1533
2283 T A -0.2404
2284 T A -0.3499
2285 G A -0.1709
2286 A A 0.5147
2287 L A 1.3551
2288 P A 0.2704
2289 A A -0.4497
2290 Q A -0.9931
2291 P A -0.1267
2292 L A 1.3420
2293 P A 1.2400
2294 L A 1.9827
2295 S A 1.3797
2296 V A 1.8043
2297 P A 0.4241
2298 S A 0.2653
2299 S A 0.5074
2300 L A 1.1468
2301 A A -0.0042
2302 Q A -1.0697
2303 A A -1.1926
2304 Q A -1.7126
2305 T A -0.9021
2306 Q A -0.7106
2307 L A 0.5700
2308 G A -0.3764
2309 P A -0.8339
2310 Q A -1.7955
2311 P A -1.3774
2312 E A -1.3632
2313 V A 0.5757
2314 T A -0.1182
2315 P A -1.4564
2316 K A -2.8534
2317 R A -2.7175
2318 Q A -1.3264
2319 V A 1.3018
2320 L A 1.9782
2321 A A 1.2212
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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 -0.0446 6.7372 View CSV PDB
4.5 -0.1269 6.7372 View CSV PDB
5.0 -0.2272 6.7372 View CSV PDB
5.5 -0.3318 6.7372 View CSV PDB
6.0 -0.4281 6.7372 View CSV PDB
6.5 -0.5082 6.7372 View CSV PDB
7.0 -0.5717 6.7372 View CSV PDB
7.5 -0.6239 6.7372 View CSV PDB
8.0 -0.6683 6.7372 View CSV PDB
8.5 -0.7034 6.7372 View CSV PDB
9.0 -0.7253 6.7372 View CSV PDB