Project name: S414C

Status: done

Started: 2026-05-10 08:21:52
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGCFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[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.  (00:00:26)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:27)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:23:54)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/e0c0809384e5734/tmp/folded.pdb                (00:23:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:49:13)
Show buried residues

Minimal score value
-5.0753
Maximal score value
5.9033
Average score
-0.753
Total score value
-1747.7561

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 0.7159
2 G A -0.1817
3 P A -0.7055
4 G A -1.0376
5 A A -1.5293
6 R A -2.9073
7 G A -3.0334
8 R A -4.1954
9 R A -4.6831
10 R A -5.0137
11 R A -4.8421
12 R A -4.3428
13 R A -3.3522
14 P A -1.4476
15 M A -0.1256
16 S A -0.2598
17 P A -0.3411
18 P A -0.4897
19 P A -0.7071
20 P A -0.7119
21 P A -0.3810
22 P A -0.3659
23 P A -0.1262
24 V A 0.8742
25 R A -0.6250
26 A A 0.6045
27 L A 1.8495
28 P A 1.7426
29 L A 3.4336
30 L A 3.9802
31 L A 4.1074
32 L A 3.7458
33 L A 2.9176
34 A A 1.2149
35 G A 0.1052
36 P A -0.3716
37 G A -0.6708
38 A A -0.3062
39 A A -0.3606
40 A A -0.5604
41 P A -1.2604
42 P A -1.0504
43 C A -1.0767
44 L A -0.2251
45 D A -1.4894
46 G A -1.0096
47 S A -0.7546
48 P A -0.9706
49 C A -1.0676
50 A A -1.2861
51 N A -1.6523
52 G A -1.2655
53 G A -1.1842
54 R A -1.6476
55 C A -0.5076
56 T A -0.8620
57 Q A -1.9271
58 L A -1.2331
59 P A -1.3673
60 S A -1.8442
61 R A -3.0913
62 E A -2.8847
63 A A 0.0000
64 A A -1.0580
65 C A 0.0000
66 L A 0.5834
67 C A -0.2848
68 P A -0.2327
69 P A -0.4676
70 G A -1.0299
71 W A -0.8637
72 V A -0.8902
73 G A -0.8732
74 E A -1.8521
75 R A -1.6338
76 C A 0.0000
77 Q A -1.6783
78 L A -1.4657
79 E A -2.3180
80 D A -1.6881
81 P A -1.4503
82 C A -1.0803
83 H A -1.6913
84 S A -1.1517
85 G A -0.8920
86 P A -0.4627
87 C A -0.8957
88 A A -0.6177
89 G A -1.0240
90 R A -1.6575
91 G A -1.1038
92 V A 0.3336
93 C A -0.4282
94 Q A -1.1326
95 S A -0.7145
96 S A -0.1943
97 V A 0.6606
98 V A 1.5228
99 A A 0.6078
100 G A -0.2268
101 T A -0.1438
102 A A 0.0000
103 R A -1.4857
104 F A -0.8959
105 S A -0.9922
106 C A -1.0956
107 R A -1.8266
108 C A -1.1705
109 P A -1.2483
110 R A -1.7601
111 G A -0.3513
112 F A -0.3540
113 R A -0.7362
114 G A -0.7211
115 P A -0.9460
116 D A -1.1065
117 C A 0.0000
118 S A -0.4049
119 L A 0.3709
120 P A -0.0935
121 D A -0.1926
122 P A 0.0622
123 C A 0.2578
124 L A 0.7481
125 S A 0.2617
126 S A -0.1217
127 P A -0.3513
128 C A -1.1322
129 A A -1.5319
130 H A -1.7524
131 G A -1.3133
132 A A -1.4217
133 R A -1.8255
134 C A -0.4162
135 S A -0.1326
136 V A 0.0711
137 G A -0.5852
138 P A -1.0625
139 D A -1.9020
140 G A -1.3961
141 R A -1.8920
142 F A -0.5100
143 L A 0.0836
144 C A -0.7283
145 S A -0.9271
146 C A -1.2718
147 P A -0.8106
148 P A -0.5282
149 G A -0.9732
150 Y A -1.7607
151 Q A -2.3822
152 G A -2.4589
153 R A -2.3621
154 S A 0.0000
155 C A 0.0000
156 R A -2.9344
157 S A -2.3254
158 D A -2.0650
159 V A -1.2852
160 D A -1.3314
161 E A -1.9572
162 C A -1.7213
163 R A -1.8974
164 V A -0.0719
165 G A -1.2294
166 E A -2.4635
167 P A -1.6871
168 C A 0.0000
169 R A -2.7785
170 H A -1.9831
171 G A -1.6635
172 G A 0.0000
173 T A -1.3176
174 C A -1.5971
175 L A -1.0151
176 N A -1.3901
177 T A -0.9340
178 P A -0.9662
179 G A -1.0304
180 S A -0.9726
181 F A -1.0793
182 R A -1.9759
183 C A -1.6667
184 Q A -1.5836
185 C A -1.1661
186 P A -0.6262
187 A A 0.1133
188 G A 0.2550
189 Y A -0.3477
190 T A -0.5035
191 G A -0.7260
192 P A -0.9825
193 L A -1.2482
194 C A 0.0000
195 E A -1.4044
196 N A -1.0309
197 P A -0.2264
198 A A 0.6438
199 V A 1.4518
200 P A 0.2016
201 C A -0.0580
202 A A 0.3839
203 P A 0.1048
204 S A -0.6487
205 P A -0.9204
206 C A 0.0000
207 R A -2.7465
208 N A -1.8796
209 G A -1.2697
210 G A -1.5886
211 T A -1.1252
212 C A -1.7364
213 R A -2.8030
214 Q A -2.2523
215 S A -1.6275
216 G A -1.3021
217 D A -1.0593
218 L A 0.7895
219 T A -0.3815
220 Y A -1.3965
221 D A -2.4529
222 C A 0.0000
223 A A -0.8425
224 C A -0.7508
225 L A 0.1099
226 P A -0.0235
227 G A -0.5410
228 F A -1.1631
229 E A -2.1085
230 G A -1.8282
231 Q A -2.2527
232 N A -2.2338
233 C A 0.0000
234 E A -2.2313
235 V A -1.0585
236 N A -1.1996
237 V A -0.9033
238 D A -1.7756
239 D A -1.9662
240 C A -1.5966
241 P A -1.4743
242 G A -1.3735
243 H A -1.6525
244 R A -2.0781
245 C A -1.1083
246 L A -0.2156
247 N A -0.8556
248 G A -0.6855
249 G A 0.0000
250 T A -0.6022
251 C A -0.7868
252 V A -0.1513
253 D A -0.9659
254 G A -0.2874
255 V A 0.5547
256 N A -0.9003
257 T A -0.6933
258 Y A -1.1403
259 N A -1.7165
260 C A -1.2935
261 Q A -1.3977
262 C A -1.0551
263 P A -0.6648
264 P A -0.7434
265 E A -1.1534
266 W A -1.2181
267 T A -1.5413
268 G A -1.5485
269 Q A -1.9502
270 F A -1.4111
271 C A 0.0000
272 T A -1.3271
273 E A -2.1311
274 D A -1.5992
275 V A -0.8975
276 D A -0.7861
277 E A 0.0000
278 C A -0.5908
279 Q A -0.9450
280 L A 0.1059
281 Q A -1.3679
282 P A -1.4381
283 N A -2.1359
284 A A -1.3312
285 C A 0.0000
286 H A -2.1567
287 N A -1.6815
288 G A -1.1296
289 G A -0.6758
290 T A 0.1313
291 C A 0.1152
292 F A 1.3610
293 N A -0.0051
294 T A 0.3902
295 L A 0.6700
296 G A -0.4503
297 G A -0.1926
298 H A -0.2679
299 S A -0.2011
300 C A -0.2112
301 V A -0.1222
302 C A 0.0000
303 V A 0.2531
304 N A -0.2322
305 G A 0.0000
306 W A -0.9410
307 T A -1.3869
308 G A -1.6233
309 E A -2.2872
310 S A -1.7962
311 C A 0.0000
312 S A -1.7921
313 Q A -2.2041
314 N A -1.6329
315 I A -1.2693
316 D A -2.1231
317 D A 0.0000
318 C A -0.6628
319 A A -0.4793
320 T A -0.1229
321 A A 0.2663
322 V A 0.0000
323 C A 0.4177
324 F A 0.3565
325 H A -0.9896
326 G A -0.6466
327 A A -0.0150
328 T A 0.0043
329 C A 0.0593
330 H A -0.8553
331 D A -1.3830
332 R A -1.6889
333 V A -0.0770
334 A A -0.2780
335 S A 0.0000
336 F A 0.0000
337 Y A 0.3020
338 C A 0.5253
339 A A 0.3282
340 C A 0.3664
341 P A 0.2152
342 M A 0.8353
343 G A -0.1298
344 K A -0.8456
345 T A -0.7442
346 G A -0.2942
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A -0.4866
351 L A -1.1004
352 D A -2.0674
353 D A -1.3519
354 A A -1.0704
355 C A -0.3977
356 V A 0.4494
357 S A -0.3082
358 N A -1.1489
359 P A -1.0808
360 C A -1.3621
361 H A -2.2783
362 E A -2.8786
363 D A -2.2089
364 A A -0.8890
365 I A 1.0075
366 C A 0.0679
367 D A -0.7987
368 T A 0.0000
369 N A 0.0000
370 P A -0.5863
371 V A -0.0127
372 N A -0.5366
373 G A -1.1388
374 R A -1.2456
375 A A -0.7859
376 I A 0.0089
377 C A -0.1908
378 T A 0.3198
379 C A -0.3852
380 P A 0.0000
381 P A -0.6778
382 G A 0.0000
383 F A 0.0000
384 T A -1.2934
385 G A -1.4675
386 G A -1.0663
387 A A -1.4012
388 C A 0.0000
389 D A -3.0053
390 Q A -2.6416
391 D A -1.9401
392 V A -1.0740
393 D A -1.0405
394 E A -0.6405
395 C A -0.1842
396 S A -0.1539
397 I A 0.0184
398 G A -0.2598
399 A A -0.3204
400 N A -0.4290
401 P A -0.5595
402 C A 0.0000
403 E A -0.5503
404 H A -0.4356
405 L A 0.1211
406 G A 0.0000
407 R A -1.4391
408 C A -0.3124
409 V A 0.3521
410 N A -0.2566
411 T A -0.2187
412 Q A -1.6707
413 G A -1.2028
414 C A 0.1189
415 F A 0.6088
416 L A 1.3890
417 C A 0.0000
418 Q A -0.8439
419 C A -0.8826
420 G A -1.0835
421 R A -1.9816
422 G A -1.5361
423 Y A 0.0000
424 T A -0.8961
425 G A -0.7109
426 P A -0.1276
427 R A 0.0000
428 C A 0.0000
429 E A -1.0179
430 T A -1.2414
431 D A -1.8988
432 V A -0.8799
433 N A -0.8887
434 E A -1.1822
435 C A -0.1936
436 L A 0.9303
437 S A 0.0793
438 G A -0.4457
439 P A -0.3880
440 C A -0.7882
441 R A -2.1356
442 N A -2.1115
443 Q A -1.7458
444 A A -0.3592
445 T A 0.3191
446 C A 0.2954
447 L A -0.0755
448 D A -1.0682
449 R A -1.4730
450 I A -0.5854
451 G A -1.5417
452 Q A -1.6738
453 F A -0.5725
454 T A 0.2195
455 C A 0.9365
456 I A 2.1473
457 C A 0.8822
458 M A 0.4399
459 A A 0.4566
460 G A -0.8601
461 F A -0.2032
462 T A 0.0363
463 G A 0.0517
464 T A 0.3397
465 Y A 0.3090
466 C A 0.0000
467 E A -1.0833
468 V A -0.2581
469 D A -1.8197
470 I A -1.5424
471 D A -3.3731
472 E A -3.1608
473 C A -2.3075
474 Q A -2.3144
475 S A -1.3885
476 S A -0.6908
477 P A -0.1742
478 C A 0.2865
479 V A 0.5530
480 N A -0.7172
481 G A -0.2525
482 G A 0.3670
483 V A 1.2262
484 C A -0.5917
485 K A -2.3644
486 D A -3.7122
487 R A -2.9574
488 V A -0.6004
489 N A -1.5290
490 G A -1.5586
491 F A -1.6854
492 S A -0.8189
493 C A 0.1876
494 T A 0.3656
495 C A 0.3551
496 P A -0.3088
497 S A -0.9256
498 G A -1.9407
499 F A -0.9816
500 S A -0.6010
501 G A -0.5198
502 S A -0.2400
503 T A 0.0471
504 C A 0.0000
505 Q A -0.9801
506 L A -0.3353
507 D A -2.4841
508 V A -1.8807
509 D A -2.9672
510 E A -2.8725
511 C A -1.7845
512 A A -1.0415
513 S A -0.7309
514 T A -1.0266
515 P A -0.8234
516 C A 0.0000
517 R A -3.1232
518 N A -2.3982
519 G A -2.1406
520 A A -2.7513
521 K A -2.9209
522 C A -2.2976
523 V A -2.0033
524 D A -3.4373
525 Q A -3.0491
526 P A -2.4976
527 D A -2.9614
528 G A -2.2587
529 Y A -2.1064
530 E A -2.3551
531 C A -2.2844
532 R A -3.0481
533 C A -2.8659
534 A A -1.9329
535 E A -1.8604
536 G A -1.1407
537 F A -2.4593
538 E A -3.1203
539 G A -2.1995
540 T A -1.3977
541 L A -1.5371
542 C A 0.0000
543 D A -3.5936
544 R A -3.7537
545 N A -2.4497
546 V A -1.7303
547 D A -2.3374
548 D A -1.7754
549 C A -2.0090
550 S A -1.7189
551 P A -1.5846
552 D A -2.8002
553 P A -1.7551
554 C A -2.1472
555 H A -2.5653
556 H A -2.1125
557 G A -1.9229
558 R A -2.3952
559 C A 0.0000
560 V A -0.7398
561 D A -1.6271
562 G A -0.0325
563 I A 0.9710
564 A A -0.1705
565 S A -0.1269
566 F A -0.4627
567 S A -0.5597
568 C A -1.3131
569 A A -0.5385
570 C A -1.1346
571 A A -0.8755
572 P A -0.6595
573 G A -0.9687
574 Y A -1.1892
575 T A -1.0679
576 G A -1.2881
577 T A -1.0383
578 R A -2.3524
579 C A 0.0000
580 E A -2.6969
581 S A -1.9021
582 Q A -1.6455
583 V A -1.6393
584 D A -2.9278
585 E A -2.6224
586 C A -2.5363
587 R A -3.1527
588 S A -2.0102
589 Q A -2.7481
590 P A -1.5138
591 C A 0.0000
592 R A -2.4379
593 H A -1.3079
594 G A -1.8323
595 G A -2.1008
596 K A -2.6989
597 C A 0.0000
598 L A -0.8640
599 D A -1.9398
600 L A -0.4443
601 V A -0.1297
602 D A -2.1898
603 K A -1.9189
604 Y A -0.5331
605 L A 0.5670
606 C A -0.8442
607 R A -1.9577
608 C A -1.1530
609 P A -1.0946
610 S A -0.2395
611 G A -0.3365
612 T A -0.3097
613 T A 0.2083
614 G A 0.2887
615 V A 1.4156
616 N A -0.4038
617 C A 0.0000
618 E A -0.2989
619 V A 0.7688
620 N A -0.1313
621 I A 0.4830
622 D A -1.7809
623 D A -2.3742
624 C A -1.7108
625 A A -0.9520
626 S A -1.1666
627 N A -1.3014
628 P A -0.2280
629 C A 0.3594
630 T A 0.7655
631 F A 1.6706
632 G A 0.9892
633 V A 1.4521
634 C A -0.1072
635 R A -2.1820
636 D A -2.0997
637 G A -1.6089
638 I A -0.4832
639 N A -1.8057
640 R A -2.6424
641 Y A -1.9335
642 D A -1.4775
643 C A -0.0149
644 V A 0.6923
645 C A 0.6286
646 Q A -0.8089
647 P A -1.2419
648 G A 0.0000
649 F A -0.4154
650 T A 0.3407
651 G A 0.3207
652 P A -0.0380
653 L A 0.9831
654 C A 0.0000
655 N A -0.1235
656 V A 0.7832
657 E A -1.3538
658 I A -0.8999
659 N A -1.8569
660 E A -1.7811
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1973 E A 0.0000
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1991 L A 0.0000
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1998 R A -1.3482
1999 E A -2.0014
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2016 L A -0.2004
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2246 T A 0.9069
2247 P A -0.1214
2248 S A -0.8589
2249 P A -1.3766
2250 E A -2.1600
2251 S A -1.7170
2252 P A -1.8946
2253 E A -2.2678
2254 H A -1.4431
2255 W A 0.2574
2256 A A 0.3028
2257 S A -0.1100
2258 P A -0.4180
2259 S A -0.5708
2260 P A -0.6257
2261 P A -0.2105
2262 S A 0.1487
2263 L A 0.8436
2264 S A -0.2081
2265 D A -1.0221
2266 W A -0.2526
2267 S A -0.9963
2268 E A -1.7908
2269 S A -1.2432
2270 T A -0.7610
2271 P A -0.5099
2272 S A -0.4807
2273 P A -0.4070
2274 A A -0.1419
2275 T A -0.1272
2276 A A -0.1358
2277 T A -0.2076
2278 G A -0.2326
2279 A A 0.4160
2280 M A 0.9881
2281 A A 0.5534
2282 T A 0.1139
2283 T A -0.2352
2284 T A -0.3737
2285 G A -0.1523
2286 A A 0.5965
2287 L A 1.3595
2288 P A 0.2914
2289 A A -0.3892
2290 Q A -1.0349
2291 P A -0.0049
2292 L A 1.4021
2293 P A 1.3302
2294 L A 2.0724
2295 S A 1.5230
2296 V A 1.8052
2297 P A 0.4781
2298 S A 0.2667
2299 S A 0.4069
2300 L A 1.1444
2301 A A 0.2828
2302 Q A -1.0628
2303 A A -1.1418
2304 Q A -1.7630
2305 T A -1.0885
2306 Q A -0.7623
2307 L A 0.5777
2308 G A -0.3231
2309 P A -0.8091
2310 Q A -1.9781
2311 P A -1.5269
2312 E A -1.3568
2313 V A 0.6967
2314 T A -0.2391
2315 P A -1.1914
2316 K A -3.1383
2317 R A -3.1020
2318 Q A -1.2671
2319 V A 1.5551
2320 L A 2.1777
2321 A A 1.1617
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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 -0.0734 7.1374 View CSV PDB
4.5 -0.1555 7.1374 View CSV PDB
5.0 -0.2553 7.1374 View CSV PDB
5.5 -0.3589 7.1374 View CSV PDB
6.0 -0.4539 7.1374 View CSV PDB
6.5 -0.5327 7.1374 View CSV PDB
7.0 -0.5946 7.1374 View CSV PDB
7.5 -0.6448 7.1374 View CSV PDB
8.0 -0.687 7.1374 View CSV PDB
8.5 -0.7198 7.1374 View CSV PDB
9.0 -0.7397 7.1374 View CSV PDB