Project name: S414C_5

Status: done

Started: 2026-05-22 01:20:15
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGCFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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.  (00:00:43)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:43)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:47:03)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/85b684cb133a877/tmp/folded.pdb                (00:47:03)
[INFO]       Main:     Simulation completed successfully.                                          (01:25:29)
Show buried residues

Minimal score value
-2.5258
Maximal score value
2.4079
Average score
-0.2785
Total score value
-646.3598

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 0.9655
2 G A -0.3142
3 P A -0.4262
4 G A -0.5029
5 A A -0.3585
6 R A -1.9165
7 G A -1.1224
8 R A -2.2592
9 R A -2.5156
10 R A -2.5203
11 R A -2.5202
12 R A -2.5202
13 R A -2.2278
14 P A -0.3978
15 M A 0.9664
16 S A -0.0641
17 P A -0.3409
18 P A -0.3483
19 P A -0.3484
20 P A -0.3486
21 P A -0.3482
22 P A -0.3484
23 P A 0.0292
24 V A 1.3832
25 R A -1.5042
26 A A -0.0023
27 L A 1.5113
28 P A 0.3297
29 L A 1.7952
30 L A 2.1435
31 L A 2.1484
32 L A 2.1463
33 L A 1.8563
34 A A 0.2742
35 G A -0.5024
36 P A -0.4277
37 G A -0.5030
38 A A -0.0169
39 A A 0.0786
40 A A 0.0457
41 P A -0.0796
42 P A -0.0712
43 C A 0.2716
44 L A 0.8764
45 D A -1.6594
46 G A -0.7995
47 S A -0.1819
48 P A -0.2501
49 C A -0.0266
50 A A -0.1270
51 N A -0.9560
52 G A -0.6357
53 G A -0.4465
54 R A -1.8325
55 C A -0.2223
56 T A -0.2217
57 Q A -1.0995
58 L A 0.2833
59 P A -0.1941
60 S A -0.5856
61 R A -2.2177
62 E A -2.1602
63 A A 0.0000
64 A A 0.0126
65 C A 0.0000
66 L A 1.5874
67 C A 0.4814
68 P A -0.0717
69 P A -0.2771
70 G A -0.0796
71 W A 0.0593
72 V A 0.2858
73 G A -0.3618
74 E A -1.9189
75 R A -0.7943
76 C A 0.0000
77 Q A -0.6569
78 L A -0.2016
79 E A -1.7813
80 D A -0.5851
81 P A -0.0710
82 C A -0.0773
83 H A -1.0091
84 S A -0.4772
85 G A -0.5154
86 P A -0.1310
87 C A -0.0327
88 A A -0.0017
89 G A -0.5451
90 R A -1.8950
91 G A -0.0460
92 V A 1.7822
93 C A 0.2749
94 Q A -0.9550
95 S A -0.2028
96 S A -0.0824
97 V A 0.9893
98 V A 1.8681
99 A A 0.2899
100 G A -0.4646
101 T A -0.1328
102 A A 0.0000
103 R A -1.7335
104 F A 0.1930
105 S A -0.0876
106 C A -0.2808
107 R A -1.7830
108 C A -0.1219
109 P A -0.3410
110 R A -1.8615
111 G A -0.2577
112 F A 0.7467
113 R A -0.2563
114 G A -0.3740
115 P A -0.4787
116 D A -1.0152
117 C A 0.0000
118 S A -0.0614
119 L A 0.7478
120 P A -0.0350
121 D A -0.3204
122 P A -0.0772
123 C A 0.3072
124 L A 1.1309
125 S A -0.0410
126 S A -0.2591
127 P A -0.0697
128 C A 0.0771
129 A A -0.1306
130 H A -0.9598
131 G A -0.6228
132 A A -0.3904
133 R A -1.8128
134 C A -0.2048
135 S A -0.0376
136 V A 0.6206
137 G A 0.0254
138 P A -0.5129
139 D A -1.4488
140 G A -0.7119
141 R A -1.8198
142 F A 0.1913
143 L A 1.1402
144 C A 0.2760
145 S A -0.1466
146 C A 0.2106
147 P A -0.0723
148 P A -0.2885
149 G A -0.1491
150 Y A -0.1604
151 Q A -1.2525
152 G A -1.0280
153 R A -1.9303
154 S A 0.0000
155 C A 0.0000
156 R A -1.8832
157 S A -0.6915
158 D A -0.7034
159 V A 0.1884
160 D A -0.5548
161 E A -1.2944
162 C A -0.4284
163 R A -1.4973
164 V A 1.3771
165 G A -0.3321
166 E A -1.8894
167 P A -0.3883
168 C A 0.0000
169 R A -1.8480
170 H A -1.2284
171 G A -0.6170
172 G A 0.0000
173 T A -0.0467
174 C A 0.1694
175 L A 0.2479
176 N A -0.3750
177 T A -0.1043
178 P A -0.2844
179 G A -0.2370
180 S A -0.1105
181 F A 0.0457
182 R A -1.7395
183 C A -0.4493
184 Q A -1.1464
185 C A -0.0483
186 P A -0.0624
187 A A 0.0203
188 G A -0.0189
189 Y A 0.3333
190 T A 0.0210
191 G A -0.1676
192 P A -0.2077
193 L A 0.3399
194 C A 0.0000
195 E A -0.6124
196 N A -0.8431
197 P A -0.3202
198 A A 0.3213
199 V A 1.7077
200 P A 0.3147
201 C A 0.1549
202 A A -0.0042
203 P A -0.2656
204 S A -0.1627
205 P A -0.0640
206 C A 0.0000
207 R A -1.8647
208 N A -1.1706
209 G A -0.6121
210 G A -0.1109
211 T A -0.0587
212 C A -0.2373
213 R A -2.0495
214 Q A -1.5150
215 S A -0.4011
216 G A -0.5173
217 D A -1.5432
218 L A 1.1824
219 T A 0.2822
220 Y A -0.0185
221 D A -1.3304
222 C A 0.0000
223 A A 0.0976
224 C A 0.4077
225 L A 0.8583
226 P A -0.1102
227 G A -0.2502
228 F A -0.2556
229 E A -1.8117
230 G A -0.7327
231 Q A -1.2757
232 N A -0.4659
233 C A 0.0000
234 E A -0.9527
235 V A 0.7106
236 N A -0.5764
237 V A 0.4974
238 D A -1.7716
239 D A -1.2419
240 C A -0.1256
241 P A -0.3250
242 G A -0.6009
243 H A -0.9034
244 R A -1.9191
245 C A -0.0382
246 L A 0.8920
247 N A -0.7315
248 G A -0.6167
249 G A 0.0000
250 T A -0.0546
251 C A 0.2833
252 V A 1.0246
253 D A -0.2191
254 G A 0.1578
255 V A 1.5201
256 N A -0.9700
257 T A -0.2513
258 Y A -0.0531
259 N A -1.2099
260 C A -0.3655
261 Q A -1.1542
262 C A -0.0762
263 P A -0.0726
264 P A -0.3621
265 E A -0.5603
266 W A -0.0456
267 T A -0.0728
268 G A -0.5723
269 Q A -1.2102
270 F A 0.0801
271 C A 0.0000
272 T A -0.3704
273 E A -1.8065
274 D A -1.0382
275 V A -0.0297
276 D A -0.4296
277 E A 0.0000
278 C A -0.0908
279 Q A -0.8935
280 L A 1.1120
281 Q A -0.9634
282 P A -0.7009
283 N A -1.3178
284 A A -0.2215
285 C A 0.0000
286 H A -1.0418
287 N A -1.0969
288 G A -0.6308
289 G A -0.1550
290 T A -0.0371
291 C A 0.4801
292 F A 1.8448
293 N A -0.3399
294 T A 0.0708
295 L A 1.5090
296 G A 0.1144
297 G A -0.1671
298 H A -0.5943
299 S A -0.2786
300 C A 0.1312
301 V A 0.3437
302 C A 0.0000
303 V A 0.8381
304 N A -0.4306
305 G A 0.0000
306 W A 0.0963
307 T A -0.0285
308 G A -0.5810
309 E A -1.8739
310 S A -0.3778
311 C A 0.0000
312 S A -0.4310
313 Q A -1.3282
314 N A -0.6505
315 I A -0.1666
316 D A -1.7419
317 D A 0.0000
318 C A 0.1305
319 A A 0.0719
320 T A -0.0233
321 A A 0.0504
322 V A 0.0000
323 C A 0.2638
324 F A 0.8015
325 H A -0.8991
326 G A -0.6454
327 A A -0.0584
328 T A -0.0375
329 C A 0.0630
330 H A -0.4433
331 D A -0.6895
332 R A -1.6558
333 V A 0.9436
334 A A 0.1852
335 S A 0.0000
336 F A 0.0000
337 Y A 0.7991
338 C A 0.2423
339 A A 0.0911
340 C A 0.2736
341 P A 0.1468
342 M A 1.0235
343 G A 0.0176
344 K A -0.6731
345 T A -0.0922
346 G A -0.0667
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A -0.1676
351 L A -0.1427
352 D A -1.8672
353 D A -0.7615
354 A A -0.0417
355 C A 0.3064
356 V A 1.1526
357 S A -0.2261
358 N A -1.3295
359 P A -0.3188
360 C A 0.0176
361 H A -0.5222
362 E A -2.1825
363 D A -2.1189
364 A A 0.0787
365 I A 2.0442
366 C A 0.2986
367 D A -1.3347
368 T A 0.0000
369 N A 0.0000
370 P A -0.0025
371 V A 0.2070
372 N A -0.1664
373 G A -0.2828
374 R A -0.9669
375 A A -0.0923
376 I A 0.3927
377 C A 0.1711
378 T A -0.0026
379 C A 0.1981
380 P A 0.0000
381 P A -0.2549
382 G A 0.0000
383 F A 0.0000
384 T A -0.1154
385 G A -0.4982
386 G A -0.5365
387 A A -0.0524
388 C A 0.0000
389 D A -2.0095
390 Q A -1.5905
391 D A -0.5139
392 V A 0.0539
393 D A -0.8080
394 E A -0.3709
395 C A 0.0355
396 S A 0.0383
397 I A 0.3207
398 G A 0.0159
399 A A -0.0455
400 N A -0.2450
401 P A -0.0707
402 C A 0.0000
403 E A -0.2687
404 H A -0.1834
405 L A 1.0404
406 G A 0.0000
407 R A -1.8949
408 C A -0.1457
409 V A 0.5412
410 N A -0.2936
411 T A -0.3156
412 Q A -1.2155
413 G A -0.1658
414 C A 0.6211
415 F A 0.5937
416 L A 1.5808
417 C A 0.0000
418 Q A -0.7942
419 C A 0.0831
420 G A -0.4457
421 R A -1.8573
422 G A -0.1733
423 Y A 0.0000
424 T A -0.0715
425 G A -0.1994
426 P A -0.2811
427 R A 0.0000
428 C A 0.0000
429 E A -0.2989
430 T A -0.3813
431 D A -1.5337
432 V A 0.2872
433 N A -0.6860
434 E A -0.8353
435 C A 0.2657
436 L A 1.5306
437 S A -0.0152
438 G A -0.5111
439 P A -0.1032
440 C A -0.1649
441 R A -1.9528
442 N A -1.2376
443 Q A -1.3205
444 A A -0.1977
445 T A -0.0167
446 C A 0.1758
447 L A 0.1020
448 D A -0.6155
449 R A -1.0684
450 I A 1.1781
451 G A -0.3190
452 Q A -1.1519
453 F A 0.0362
454 T A 0.0425
455 C A 0.4656
456 I A 2.0651
457 C A 0.6850
458 M A 0.6322
459 A A 0.1557
460 G A -0.2370
461 F A -0.0568
462 T A -0.0521
463 G A -0.2649
464 T A 0.0155
465 Y A 0.7166
466 C A 0.0000
467 E A -0.5163
468 V A 0.7579
469 D A -1.3842
470 I A 0.1841
471 D A -1.8185
472 E A -1.3211
473 C A -0.2989
474 Q A -1.2191
475 S A -0.4684
476 S A -0.2594
477 P A -0.0719
478 C A 0.2518
479 V A 0.8885
480 N A -0.7956
481 G A -0.6393
482 G A 0.2028
483 V A 1.7877
484 C A 0.2256
485 K A -1.6864
486 D A -2.3028
487 R A -1.8441
488 V A 1.2034
489 N A -0.9785
490 G A -0.2262
491 F A 0.3734
492 S A 0.0907
493 C A 0.1011
494 T A 0.0004
495 C A 0.1474
496 P A -0.1182
497 S A -0.2476
498 G A -0.3280
499 F A 0.0373
500 S A -0.1033
501 G A -0.4124
502 S A -0.2797
503 T A -0.0421
504 C A 0.0000
505 Q A -0.9657
506 L A 0.7141
507 D A -1.3922
508 V A 0.0132
509 D A -1.8468
510 E A -1.3052
511 C A -0.0753
512 A A 0.0368
513 S A -0.2149
514 T A -0.1170
515 P A -0.0587
516 C A 0.0000
517 R A -1.9129
518 N A -0.7964
519 G A -0.5318
520 A A -0.3553
521 K A -1.6853
522 C A -0.1306
523 V A 0.2366
524 D A -1.7585
525 Q A -1.3085
526 P A -0.7584
527 D A -1.8662
528 G A -0.4290
529 Y A -0.0366
530 E A -1.3949
531 C A -0.5217
532 R A -1.7802
533 C A -0.0792
534 A A -0.2610
535 E A -1.8284
536 G A -0.3572
537 F A -0.1846
538 E A -1.7267
539 G A -0.6279
540 T A 0.0003
541 L A 0.6883
542 C A 0.0000
543 D A -2.1234
544 R A -2.2717
545 N A -0.7209
546 V A 0.4097
547 D A -1.7751
548 D A -1.0738
549 C A -0.2633
550 S A -0.2636
551 P A -0.6280
552 D A -1.8291
553 P A -0.3385
554 C A -0.2241
555 H A -1.0702
556 H A -0.7218
557 G A -0.5353
558 R A -1.8696
559 C A 0.0000
560 V A 0.6347
561 D A -1.2901
562 G A -0.0692
563 I A 1.9907
564 A A 0.3515
565 S A -0.0762
566 F A 0.2530
567 S A -0.1036
568 C A 0.0565
569 A A 0.1067
570 C A 0.2375
571 A A 0.0265
572 P A -0.2601
573 G A -0.3137
574 Y A 0.0429
575 T A -0.0516
576 G A -0.2841
577 T A -0.2973
578 R A -0.9960
579 C A 0.0000
580 E A -1.6898
581 S A -0.6525
582 Q A -1.0591
583 V A 0.2267
584 D A -1.5044
585 E A -0.8139
586 C A -0.3565
587 R A -1.8707
588 S A -0.7715
589 Q A -1.2432
590 P A -0.2552
591 C A 0.0000
592 R A -1.5573
593 H A -0.6030
594 G A -0.5196
595 G A -0.4164
596 K A -1.7101
597 C A 0.0000
598 L A 0.2359
599 D A -1.5438
600 L A 0.4263
601 V A 1.5543
602 D A -1.7727
603 K A -1.8557
604 Y A 0.0116
605 L A 1.3538
606 C A -0.0008
607 R A -1.7740
608 C A -0.0758
609 P A -0.0941
610 S A -0.2594
611 G A -0.1915
612 T A -0.1103
613 T A -0.0930
614 G A 0.0867
615 V A 1.6721
616 N A -0.0134
617 C A 0.0000
618 E A -0.2943
619 V A 0.8343
620 N A 0.0186
621 I A 1.5893
622 D A -1.5820
623 D A -1.1873
624 C A -0.0715
625 A A 0.0336
626 S A -0.4215
627 N A -1.3182
628 P A -0.2610
629 C A 0.1465
630 T A 0.2322
631 F A 1.6226
632 G A 0.5838
633 V A 1.7821
634 C A 0.1451
635 R A -1.9153
636 D A -0.7849
637 G A -0.0931
638 I A 0.9475
639 N A -1.3746
640 R A -1.9560
641 Y A 0.0444
642 D A -0.9848
643 C A -0.0011
644 V A 0.5809
645 C A 0.0682
646 Q A -0.9590
647 P A -0.4245
648 G A 0.0000
649 F A -0.0428
650 T A -0.0274
651 G A -0.2214
652 P A -0.1430
653 L A 0.7531
654 C A 0.0000
655 N A -0.9633
656 V A 1.2262
657 E A -1.2768
658 I A 0.5540
659 N A -1.1358
660 E A -0.5726
661 C A 0.0516
662 A A 0.0395
663 S A -0.2401
664 S A -0.2623
665 P A -0.0897
666 C A 0.0333
667 G A -0.4974
668 E A -1.9377
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1973 E A 0.0000
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1975 P A 0.0000
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1977 F A 0.0000
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1982 E A -0.2661
1983 G A -0.1886
1984 S A 0.0000
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1986 E A -1.1769
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1990 L A 0.0200
1991 L A 0.0000
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1993 D A -1.8128
1994 H A -0.2578
1995 F A 1.9073
1996 A A 0.0000
1997 N A -0.5093
1998 R A -0.8206
1999 E A -1.8369
2000 I A -0.0127
2001 T A -0.1011
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2011 V A 0.0000
2012 A A 0.0000
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2014 E A -1.5721
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2016 L A 1.2699
2017 H A -0.1095
2018 Q A -1.3877
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2266 W A 0.8097
2267 S A -0.3625
2268 E A -1.9070
2269 S A -0.5669
2270 T A -0.1729
2271 P A -0.3137
2272 S A -0.3204
2273 P A -0.2884
2274 A A -0.0059
2275 T A -0.0459
2276 A A 0.0285
2277 T A -0.1802
2278 G A -0.4737
2279 A A 0.2263
2280 M A 1.0791
2281 A A 0.2529
2282 T A -0.0755
2283 T A -0.1000
2284 T A -0.2018
2285 G A -0.4735
2286 A A 0.3233
2287 L A 1.5102
2288 P A 0.0646
2289 A A -0.2174
2290 Q A -1.2441
2291 P A -0.2157
2292 L A 1.4498
2293 P A 0.3219
2294 L A 1.4577
2295 S A 0.4526
2296 V A 1.6753
2297 P A 0.0811
2298 S A -0.3078
2299 S A 0.0391
2300 L A 1.5211
2301 A A 0.1975
2302 Q A -1.1755
2303 A A -0.4038
2304 Q A -1.2036
2305 T A -0.5711
2306 Q A -0.8476
2307 L A 1.1716
2308 G A -0.2056
2309 P A -0.5799
2310 Q A -1.2992
2311 P A -0.9293
2312 E A -1.5252
2313 V A 1.3936
2314 T A 0.2530
2315 P A -0.5828
2316 K A -2.1871
2317 R A -2.4879
2318 Q A -1.2074
2319 V A 1.8174
2320 L A 1.8868
2321 A A 0.3515
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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 -0.0078 4.6666 View CSV PDB
4.5 -0.0392 4.6666 View CSV PDB
5.0 -0.0774 4.6666 View CSV PDB
5.5 -0.117 4.6666 View CSV PDB
6.0 -0.1529 4.6666 View CSV PDB
6.5 -0.1819 4.6666 View CSV PDB
7.0 -0.2039 4.6666 View CSV PDB
7.5 -0.2212 4.6666 View CSV PDB
8.0 -0.2354 4.6666 View CSV PDB
8.5 -0.2463 4.6666 View CSV PDB
9.0 -0.2524 4.6666 View CSV PDB