Project name: C540G

Status: done

Started: 2026-05-14 00:51:00
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGGLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:17)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:17)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:17:24)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/e20c2a23e1fa31b/tmp/folded.pdb                (00:17:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:38:02)
Show buried residues

Minimal score value
-4.9889
Maximal score value
5.8639
Average score
-0.7596
Total score value
-1763.1253

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 0.7201
2 G A -0.1666
3 P A -0.6021
4 G A -0.9466
5 A A -1.5066
6 R A -2.9068
7 G A -3.0517
8 R A -4.2348
9 R A -4.7910
10 R A -4.9889
11 R A -4.9210
12 R A -4.3307
13 R A -3.3226
14 P A -1.4793
15 M A -0.0342
16 S A -0.2373
17 P A -0.3416
18 P A -0.5097
19 P A -0.6959
20 P A -0.7051
21 P A -0.3942
22 P A -0.3550
23 P A -0.1007
24 V A 0.8632
25 R A -0.6688
26 A A 0.5610
27 L A 1.9041
28 P A 1.9396
29 L A 3.4026
30 L A 4.0128
31 L A 3.8751
32 L A 3.7461
33 L A 2.9065
34 A A 1.4377
35 G A -0.0161
36 P A -0.4702
37 G A -0.6687
38 A A -0.2833
39 A A -0.2665
40 A A -0.2967
41 P A -0.6176
42 P A -0.6845
43 C A -0.5244
44 L A 0.4033
45 D A -0.8689
46 G A -0.7127
47 S A -0.5010
48 P A -0.7589
49 C A 0.0000
50 A A -0.6396
51 N A -0.5155
52 G A 0.0574
53 G A 0.0000
54 R A -1.3827
55 C A 0.0077
56 T A -0.7053
57 Q A -1.8421
58 L A -1.2584
59 P A -1.3628
60 S A -1.8366
61 R A -3.0865
62 E A -2.7945
63 A A 0.0000
64 A A -0.8351
65 C A -0.2684
66 L A 0.1183
67 C A -0.0822
68 P A 0.0000
69 P A -0.5142
70 G A -0.9905
71 W A -0.7587
72 V A -0.7267
73 G A -0.7331
74 E A -1.5430
75 R A -1.3021
76 C A 0.0000
77 Q A -1.2868
78 L A -1.2894
79 E A -2.2486
80 D A -1.5604
81 P A -1.3052
82 C A -0.8882
83 H A -1.5750
84 S A -1.1351
85 G A -0.8481
86 P A -0.3597
87 C A -0.7247
88 A A -0.5604
89 G A -1.0020
90 R A -1.6602
91 G A -1.0453
92 V A 0.4581
93 C A -0.1371
94 Q A -0.5985
95 S A -0.3633
96 S A -0.0090
97 V A 0.7467
98 V A 1.5942
99 A A 0.6323
100 G A -0.1317
101 T A -0.1733
102 A A 0.0000
103 R A -1.2938
104 F A -0.5938
105 S A -0.7131
106 C A -0.8247
107 R A -1.6741
108 C A -1.1147
109 P A -1.2929
110 R A -1.7640
111 G A -0.3758
112 F A -0.3573
113 R A -0.6677
114 G A -0.6002
115 P A -0.7616
116 D A -0.8042
117 C A 0.0000
118 S A -0.3227
119 L A 0.3747
120 P A -0.1509
121 D A -0.2194
122 P A 0.0120
123 C A 0.2682
124 L A 0.7380
125 S A 0.2737
126 S A -0.1257
127 P A -0.4134
128 C A -1.2229
129 A A -1.5478
130 H A -1.7460
131 G A -1.3067
132 A A -1.6386
133 R A -1.9332
134 C A -0.6015
135 S A -0.2929
136 V A -0.1974
137 G A -0.8389
138 P A -1.3009
139 D A -2.3524
140 G A -1.6483
141 R A -2.0988
142 F A -0.7341
143 L A -0.3355
144 C A -0.9594
145 S A -1.0601
146 C A -1.4318
147 P A -0.8495
148 P A -0.5223
149 G A -0.8946
150 Y A -1.8662
151 Q A -2.4264
152 G A -2.5059
153 R A -2.4720
154 S A -1.9917
155 C A 0.0000
156 R A -2.9773
157 S A -2.3415
158 D A -2.0193
159 V A -1.1233
160 D A -0.9786
161 E A -1.3871
162 C A -1.3807
163 R A -1.7256
164 V A 0.1486
165 G A -1.0216
166 E A -2.3813
167 P A -1.6338
168 C A 0.0000
169 R A -3.0132
170 H A -2.1519
171 G A -1.7392
172 G A -1.7528
173 T A -1.2854
174 C A -1.3922
175 L A -0.4461
176 N A -1.1540
177 T A 0.0000
178 P A -0.9728
179 G A -1.0940
180 S A -0.7927
181 F A -0.8733
182 R A -1.8421
183 C A -1.6337
184 Q A -1.5397
185 C A -1.2735
186 P A -0.6773
187 A A 0.0717
188 G A 0.0977
189 Y A -0.3937
190 T A -0.6285
191 G A -0.8983
192 P A -1.0660
193 L A -1.3745
194 C A 0.0000
195 E A -1.7186
196 N A -1.5063
197 P A -0.4377
198 A A 0.4807
199 V A 1.3792
200 P A 0.0956
201 C A -0.1828
202 A A 0.3929
203 P A 0.0839
204 S A -0.6884
205 P A -1.1300
206 C A 0.0000
207 R A -2.7806
208 N A -2.0715
209 G A -1.3520
210 G A -1.5710
211 T A -1.2487
212 C A 0.0000
213 R A -2.9752
214 Q A -2.4478
215 S A -1.8399
216 G A -1.5176
217 D A -1.3112
218 L A 0.3446
219 T A -0.6859
220 Y A -1.6617
221 D A -2.8502
222 C A 0.0000
223 A A -0.9188
224 C A -0.8370
225 L A 0.1114
226 P A -0.0497
227 G A -0.5837
228 F A -1.3343
229 E A -2.0786
230 G A -1.9907
231 Q A -2.4031
232 N A -2.4447
233 C A 0.0000
234 E A -2.5095
235 V A -1.3835
236 N A -1.4959
237 V A -1.0615
238 D A -1.8950
239 D A -2.0060
240 C A -1.6751
241 P A -1.4991
242 G A -1.4122
243 H A -1.7817
244 R A -2.1031
245 C A -1.1105
246 L A -0.1782
247 N A -0.7892
248 G A -0.6182
249 G A -0.8943
250 T A -0.7070
251 C A -0.7303
252 V A -0.4567
253 D A -1.0480
254 G A -0.4238
255 V A 0.5045
256 N A -0.9229
257 T A -0.7957
258 Y A -1.3980
259 N A -1.8266
260 C A -1.3562
261 Q A -1.4017
262 C A -1.1084
263 P A -0.6342
264 P A -0.6578
265 E A -0.9593
266 W A -1.0930
267 T A -1.4586
268 G A -1.4992
269 Q A -1.9024
270 F A -1.3580
271 C A 0.0000
272 T A -1.2649
273 E A -2.0701
274 D A -1.2638
275 V A -0.7885
276 D A -0.7341
277 E A -0.6149
278 C A -0.5824
279 Q A -0.9246
280 L A 0.2307
281 Q A -1.0107
282 P A -1.2776
283 N A -1.9877
284 A A -1.2673
285 C A 0.0000
286 H A -1.9775
287 N A -1.4790
288 G A -0.8518
289 G A -0.0647
290 T A 0.7183
291 C A 0.5591
292 F A 1.5426
293 N A 0.0667
294 T A 0.4401
295 L A 0.7767
296 G A -0.3319
297 G A -0.1337
298 H A -0.2793
299 S A 0.1506
300 C A 0.7020
301 V A 1.9660
302 C A 0.5234
303 V A 0.8728
304 N A -0.1959
305 G A 0.0000
306 W A -0.3314
307 T A -0.8177
308 G A -1.2974
309 E A -2.0153
310 S A -1.4910
311 C A 0.0000
312 S A -1.6119
313 Q A -1.9275
314 N A -1.2518
315 I A -0.7739
316 D A -1.9111
317 D A -1.0163
318 C A -0.6265
319 A A -0.2819
320 T A 0.1640
321 A A 0.7140
322 V A 1.9788
323 C A 1.5818
324 F A 0.9793
325 H A -0.8224
326 G A -0.4907
327 A A 0.2135
328 T A 0.0999
329 C A 0.0218
330 H A -1.2745
331 D A -2.0493
332 R A -1.2902
333 V A 0.3889
334 A A -0.1177
335 S A -0.4532
336 F A -0.0919
337 Y A 0.5766
338 C A 1.0787
339 A A 0.5651
340 C A 0.5507
341 P A 0.1824
342 M A 0.7782
343 G A -0.0533
344 K A -0.9702
345 T A -0.3874
346 G A 0.7149
347 L A 2.2042
348 L A 1.6576
349 C A 0.0000
350 H A -0.0569
351 L A -1.0237
352 D A -2.3626
353 D A -1.4761
354 A A -1.3402
355 C A -0.5155
356 V A 0.6036
357 S A -0.1159
358 N A -0.9776
359 P A -1.1156
360 C A -1.3635
361 H A -2.1559
362 E A -2.8567
363 D A -2.2065
364 A A -0.9163
365 I A 0.8956
366 C A -0.3274
367 D A -1.2975
368 T A 0.0000
369 N A 0.0000
370 P A 0.0548
371 V A 1.2597
372 N A -0.7937
373 G A -1.7071
374 R A -2.3495
375 A A -1.4794
376 I A -0.4643
377 C A -0.4153
378 T A 0.0912
379 C A -0.3535
380 P A -0.3638
381 P A -0.4590
382 G A -0.7421
383 F A -1.4116
384 T A -1.1367
385 G A -1.4221
386 G A -0.9890
387 A A -1.3260
388 C A 0.0000
389 D A -2.9131
390 Q A -2.5797
391 D A -2.0984
392 V A -0.8567
393 D A -0.7815
394 E A -0.1317
395 C A -0.1331
396 S A 0.1834
397 I A 1.3341
398 G A 0.1971
399 A A -0.4822
400 N A -1.5373
401 P A -1.0836
402 C A 0.0000
403 E A -2.7409
404 H A -1.4367
405 L A -0.0728
406 G A 0.0000
407 R A -2.2423
408 C A 0.0000
409 V A -0.0966
410 N A -0.7963
411 T A -0.5979
412 Q A -1.9142
413 G A -1.3221
414 S A -0.3052
415 F A 0.3479
416 L A 0.8157
417 C A 0.0000
418 Q A -1.5794
419 C A -1.7279
420 G A -1.2817
421 R A -1.9248
422 G A 0.0000
423 Y A -1.3452
424 T A -1.6239
425 G A -1.6307
426 P A -1.3160
427 R A -2.7908
428 C A 0.0000
429 E A -2.8476
430 T A -1.9420
431 D A -1.9533
432 V A -0.5772
433 N A -0.3404
434 E A -0.4321
435 C A 0.0421
436 L A 1.1803
437 S A 0.2261
438 G A -0.4235
439 P A -0.3271
440 C A -0.9407
441 R A -2.2735
442 N A -2.1757
443 Q A -1.8094
444 A A -0.6524
445 T A 0.0177
446 C A 0.0354
447 L A -0.3884
448 D A -1.2149
449 R A -1.6979
450 I A -0.0620
451 G A 0.0000
452 Q A -1.4708
453 F A -0.5635
454 T A -0.0607
455 C A 0.5060
456 I A 1.3165
457 C A 0.5862
458 M A 0.1321
459 A A 0.2748
460 G A -0.6954
461 F A -0.3500
462 T A 0.0417
463 G A -0.0798
464 T A 0.1951
465 Y A 0.1673
466 C A 0.0000
467 E A -1.0318
468 V A -0.3395
469 D A -1.8768
470 I A -1.5540
471 D A -3.2604
472 E A -3.0135
473 C A -2.1947
474 Q A -2.2436
475 S A -1.3412
476 S A -0.5055
477 P A 0.0036
478 C A 0.3977
479 V A 0.7007
480 N A -0.5855
481 G A -0.1990
482 G A 0.4503
483 V A 1.2515
484 C A -0.3415
485 K A -2.2436
486 D A -3.6068
487 R A -2.8953
488 V A -0.5749
489 N A -1.5239
490 G A -1.4836
491 F A -1.5322
492 S A -0.7460
493 C A 0.2248
494 T A 0.3239
495 C A 0.4404
496 P A -0.2716
497 S A -0.8457
498 G A -1.5106
499 F A -0.7347
500 S A -0.2317
501 G A -0.1618
502 S A 0.0393
503 T A 0.2253
504 C A 0.0000
505 Q A -0.5338
506 L A -0.1045
507 D A -2.1719
508 V A -1.4942
509 D A -2.5297
510 E A -2.1450
511 C A -1.3518
512 A A -0.8010
513 S A -0.5546
514 T A -0.8135
515 P A -0.6659
516 C A 0.0000
517 R A -3.1941
518 N A -3.0255
519 G A -2.3318
520 A A -2.8452
521 K A -2.9006
522 C A -1.8636
523 V A -1.7044
524 D A -2.9607
525 Q A -2.6295
526 P A -2.2810
527 D A -2.7414
528 G A -1.9148
529 Y A -1.7639
530 E A -2.0989
531 C A -2.2831
532 R A -3.0538
533 C A -2.9967
534 A A -2.0803
535 E A -1.9667
536 G A -1.5309
537 F A -3.0365
538 E A -3.6602
539 G A -2.6333
540 G A -1.8510
541 L A -1.9498
542 C A 0.0000
543 D A -3.9832
544 R A -4.2998
545 N A -3.3922
546 V A -2.3501
547 D A -2.6752
548 D A -1.9851
549 C A -2.0489
550 S A -1.7846
551 P A -1.5780
552 D A -2.7847
553 P A -1.9073
554 C A -2.1051
555 H A -2.5119
556 H A -1.9620
557 G A -1.8357
558 R A -2.3340
559 C A -1.5205
560 V A -0.6801
561 D A -1.9384
562 G A -0.3185
563 I A 0.7394
564 A A -0.3426
565 S A -0.1921
566 F A -0.4408
567 S A -0.5225
568 C A -1.2462
569 A A -0.4802
570 C A -0.8991
571 A A -0.5600
572 P A -0.3301
573 G A -0.5474
574 Y A -0.8463
575 T A -0.8803
576 G A -1.1959
577 T A -1.0172
578 R A -2.3291
579 C A 0.0000
580 E A -2.5576
581 S A -1.6956
582 Q A -1.2474
583 V A -1.1233
584 D A -2.3762
585 E A -2.1364
586 C A 0.0000
587 R A -3.0237
588 S A -2.0032
589 Q A -2.8990
590 P A -1.4823
591 C A 0.0000
592 R A -2.7313
593 H A -1.7257
594 G A -1.9658
595 G A -2.2343
596 K A -2.7514
597 C A 0.0000
598 L A -0.8491
599 D A -1.6114
600 L A 0.3679
601 V A 0.3868
602 D A -1.8035
603 K A -1.4555
604 Y A -0.2308
605 L A 0.7138
606 C A -0.8723
607 R A -2.0594
608 C A -1.2208
609 P A -1.3260
610 S A -0.5600
611 G A -0.5943
612 T A -0.4096
613 T A 0.0635
614 G A 0.1814
615 V A 1.2792
616 N A -0.5214
617 C A 0.0000
618 E A -0.7014
619 V A 0.5246
620 N A -0.6147
621 I A 0.0543
622 D A -2.0057
623 D A -2.5223
624 C A -1.9544
625 A A -0.9592
626 S A -1.0789
627 N A -1.3703
628 P A -0.3227
629 C A 0.3084
630 T A 0.6356
631 F A 1.3186
632 G A 0.9561
633 V A 1.4562
634 C A -0.2038
635 R A -2.3019
636 D A -2.6221
637 G A -2.0087
638 I A -1.2099
639 N A -2.1266
640 R A -2.8863
641 Y A -2.1796
642 D A -1.5958
643 C A 0.0829
644 V A 1.2011
645 C A 0.6392
646 Q A -0.7975
647 P A -1.2981
648 G A -1.6418
649 F A -0.4527
650 T A 0.3175
651 G A 0.2438
652 P A 0.0316
653 L A 0.9125
654 C A 0.0000
655 N A -0.3710
656 V A 0.6411
657 E A -1.5243
658 I A -0.9839
659 N A -2.1208
660 E A -2.4423
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1995 F A -0.0277
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1998 R A -1.5386
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2000 I A -1.5488
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2245 L A 1.3348
2246 T A 0.1798
2247 P A -0.3483
2248 S A -1.0111
2249 P A -1.4282
2250 E A -2.1909
2251 S A -1.7756
2252 P A -1.8495
2253 E A -2.2801
2254 H A -1.4551
2255 W A 0.3033
2256 A A 0.0738
2257 S A -0.0636
2258 P A -0.5391
2259 S A -0.5999
2260 P A -0.5873
2261 P A -0.2159
2262 S A 0.2736
2263 L A 0.8109
2264 S A -0.1201
2265 D A -0.9605
2266 W A -0.2885
2267 S A -0.9853
2268 E A -1.7843
2269 S A -1.3228
2270 T A -0.7621
2271 P A -0.5096
2272 S A -0.5002
2273 P A -0.4049
2274 A A -0.1750
2275 T A -0.1607
2276 A A -0.1385
2277 T A -0.1481
2278 G A -0.2175
2279 A A 0.4147
2280 M A 0.9811
2281 A A 0.5377
2282 T A 0.1589
2283 T A -0.2376
2284 T A -0.3769
2285 G A -0.1583
2286 A A 0.5110
2287 L A 1.3604
2288 P A 0.3066
2289 A A -0.3788
2290 Q A -0.9897
2291 P A 0.0870
2292 L A 1.3155
2293 P A 1.3949
2294 L A 2.0247
2295 S A 1.5385
2296 V A 1.8049
2297 P A 0.4286
2298 S A 0.2602
2299 S A 0.4048
2300 L A 1.1393
2301 A A 0.2517
2302 Q A -1.0024
2303 A A -1.0214
2304 Q A -1.7258
2305 T A -1.0104
2306 Q A -0.8502
2307 L A 0.5054
2308 G A -0.3385
2309 P A -0.9932
2310 Q A -1.7958
2311 P A -1.5579
2312 E A -1.3244
2313 V A 0.4577
2314 T A -0.1696
2315 P A -1.3243
2316 K A -2.8499
2317 R A -3.0134
2318 Q A -1.3835
2319 V A 1.5264
2320 L A 2.1893
2321 A A 1.2693
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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 -0.0692 7.1241 View CSV PDB
4.5 -0.1556 7.1241 View CSV PDB
5.0 -0.2596 7.1241 View CSV PDB
5.5 -0.3671 7.1241 View CSV PDB
6.0 -0.4657 7.1241 View CSV PDB
6.5 -0.5476 7.1241 View CSV PDB
7.0 -0.6123 7.1241 View CSV PDB
7.5 -0.6649 7.1241 View CSV PDB
8.0 -0.7088 7.1241 View CSV PDB
8.5 -0.7424 7.1241 View CSV PDB
9.0 -0.7623 7.1241 View CSV PDB