Project name: T577I

Status: done

Started: 2026-05-15 06:36:48
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGIRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:18)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:44)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/42bcfdadcebb631/tmp/folded.pdb                (00:18:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:39:13)
Show buried residues

Minimal score value
-4.8297
Maximal score value
5.5323
Average score
-0.7473
Total score value
-1734.4071

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 0.7151
2 G A -0.1862
3 P A -0.6491
4 G A -1.0262
5 A A -1.5234
6 R A -2.8599
7 G A -2.9625
8 R A -4.0336
9 R A -4.6364
10 R A -4.8297
11 R A -4.7792
12 R A -4.1880
13 R A -3.2956
14 P A -1.4065
15 M A -0.0462
16 S A -0.2023
17 P A -0.3649
18 P A -0.5061
19 P A -0.6907
20 P A -0.6985
21 P A -0.3794
22 P A -0.3501
23 P A -0.1239
24 V A 0.8813
25 R A -0.6217
26 A A 0.5639
27 L A 1.8278
28 P A 1.7615
29 L A 3.3921
30 L A 3.9668
31 L A 4.0494
32 L A 3.8038
33 L A 2.8816
34 A A 1.2326
35 G A 0.0600
36 P A -0.4180
37 G A -0.6627
38 A A -0.2832
39 A A -0.3425
40 A A -0.0050
41 P A -0.6490
42 P A -0.9552
43 C A -0.6624
44 L A 0.4342
45 D A -1.3255
46 G A -0.9648
47 S A -1.1138
48 P A -1.2365
49 C A -1.6221
50 A A -1.5627
51 N A -1.7680
52 G A -1.3488
53 G A 0.0000
54 R A -1.7185
55 C A 0.0000
56 T A -0.5250
57 Q A -1.3325
58 L A -0.8666
59 P A -1.0899
60 S A -1.6375
61 R A -2.8388
62 E A -2.7527
63 A A -1.8581
64 A A -1.2341
65 C A -0.9424
66 L A 0.5110
67 C A -0.2477
68 P A -0.1842
69 P A -0.4395
70 G A -1.0138
71 W A -1.1257
72 V A -0.7291
73 G A -1.1670
74 E A -2.3363
75 R A -2.7728
76 C A 0.0000
77 Q A -1.9119
78 L A -1.5822
79 E A -2.3086
80 D A -1.6297
81 P A -1.4251
82 C A -1.0271
83 H A -1.6081
84 S A -1.1457
85 G A -0.8975
86 P A -0.4678
87 C A -0.8922
88 A A -0.6174
89 G A -1.0288
90 R A -1.6502
91 G A -1.1294
92 V A 0.4192
93 C A -0.3489
94 Q A -0.9074
95 S A -0.5759
96 S A -0.0360
97 V A 0.8241
98 V A 1.6290
99 A A 0.6565
100 G A -0.1542
101 T A -0.1389
102 A A 0.0000
103 R A -1.4490
104 F A -0.6408
105 S A -0.9387
106 C A -1.0501
107 R A -1.8061
108 C A -1.1392
109 P A -1.2658
110 R A -1.8591
111 G A -0.5088
112 F A -0.4247
113 R A -0.7071
114 G A -0.6161
115 P A -0.9096
116 D A -1.0969
117 C A 0.0000
118 S A -0.3709
119 L A 0.4613
120 P A -0.1452
121 D A -0.2607
122 P A -0.0271
123 C A 0.0549
124 L A 0.3193
125 S A 0.0655
126 S A -0.2377
127 P A -0.4282
128 C A -1.1274
129 A A -1.4741
130 H A -1.7076
131 G A -1.2820
132 A A -1.4623
133 R A -1.8722
134 C A -0.3291
135 S A -0.1770
136 V A 0.0926
137 G A -0.7012
138 P A -1.2397
139 D A -2.2837
140 G A -1.4856
141 R A -2.0137
142 F A -0.6248
143 L A -0.2097
144 C A -0.8070
145 S A -0.9528
146 C A -1.2788
147 P A -0.8036
148 P A -0.5018
149 G A -0.8737
150 Y A -1.7133
151 Q A -2.3626
152 G A -2.3190
153 R A -2.1324
154 S A -1.8000
155 C A 0.0000
156 R A -2.8974
157 S A -2.2724
158 D A -1.9894
159 V A -1.1568
160 D A -1.1059
161 E A -1.4350
162 C A -1.4660
163 R A -1.7498
164 V A 0.1410
165 G A -1.0047
166 E A -2.3218
167 P A -1.6409
168 C A 0.0000
169 R A -3.0209
170 H A -2.1547
171 G A -1.7790
172 G A -1.7635
173 T A -1.3244
174 C A -1.5082
175 L A -0.7705
176 N A -1.2527
177 T A 0.0000
178 P A -0.9910
179 G A -1.1092
180 S A -0.8277
181 F A -0.9742
182 R A -1.9212
183 C A -1.6839
184 Q A -1.5632
185 C A -1.2790
186 P A -0.6460
187 A A 0.1610
188 G A 0.1256
189 Y A -0.3904
190 T A -0.6778
191 G A -1.1300
192 P A -1.1033
193 L A -1.3496
194 C A 0.0000
195 E A -1.7286
196 N A -1.5295
197 P A -0.4778
198 A A 0.3918
199 V A 1.1064
200 P A 0.0000
201 C A -0.2246
202 A A 0.2831
203 P A 0.0242
204 S A -0.6882
205 P A -1.1312
206 C A 0.0000
207 R A -2.8382
208 N A -1.8666
209 G A -1.2905
210 G A -1.6290
211 T A -1.1857
212 C A -1.8389
213 R A -2.9187
214 Q A -2.3822
215 S A -1.7611
216 G A -1.2661
217 D A -1.1727
218 L A 0.6220
219 T A -0.5617
220 Y A -1.5822
221 D A -2.7793
222 C A -2.1349
223 A A -0.9032
224 C A -0.8167
225 L A 0.1841
226 P A -0.0328
227 G A -0.4086
228 F A -1.0478
229 E A -2.0678
230 G A -1.8622
231 Q A -2.3452
232 N A -2.3037
233 C A 0.0000
234 E A -2.0881
235 V A -0.8057
236 N A -0.8054
237 V A -0.8685
238 D A -1.7141
239 D A -1.6859
240 C A -1.6200
241 P A -1.3266
242 G A -1.3185
243 H A -1.6365
244 R A -2.0989
245 C A 0.0000
246 L A 0.0988
247 N A -0.8645
248 G A -0.6094
249 G A -0.8349
250 T A -0.7045
251 C A -0.7677
252 V A -0.6113
253 D A -1.1692
254 G A -0.4198
255 V A 0.6179
256 N A -0.8200
257 T A -0.7887
258 Y A -1.4090
259 N A -1.8798
260 C A -1.3970
261 Q A -1.4457
262 C A -1.1288
263 P A -0.6665
264 P A -0.7579
265 E A -1.2986
266 W A -1.1773
267 T A -1.5063
268 G A -1.5012
269 Q A -1.8978
270 F A -1.3440
271 C A 0.0000
272 T A -1.2226
273 E A -2.0829
274 D A -1.3740
275 V A -0.8961
276 D A -0.8460
277 E A -0.9675
278 C A -0.7151
279 Q A -1.0365
280 L A 0.0261
281 Q A -1.4387
282 P A -1.4648
283 N A -2.1191
284 A A -1.4505
285 C A 0.0000
286 H A -1.9044
287 N A -1.5627
288 G A -0.8649
289 G A -0.0508
290 T A 0.7587
291 C A 0.4716
292 F A 1.5567
293 N A -0.0065
294 T A 0.3940
295 L A 0.7059
296 G A -0.4652
297 G A -0.2504
298 H A -0.3994
299 S A 0.1122
300 C A 0.6848
301 V A 1.9723
302 C A 0.5078
303 V A 0.7309
304 N A -0.2665
305 G A 0.0000
306 W A -0.5002
307 T A -0.8175
308 G A -1.2933
309 E A -2.0175
310 S A -1.4766
311 C A 0.0000
312 S A -1.5641
313 Q A -1.9254
314 N A -1.2055
315 I A -0.6895
316 D A -1.6954
317 D A -0.7010
318 C A -0.2202
319 A A -0.2171
320 T A 0.1018
321 A A 0.8503
322 V A 1.8906
323 C A 1.2835
324 F A 0.4562
325 H A -1.0782
326 G A -0.6566
327 A A 0.0352
328 T A 0.1251
329 C A 0.3108
330 H A -0.5148
331 D A -0.7265
332 R A -0.4916
333 V A 0.2272
334 A A 0.0215
335 S A 0.0154
336 F A 0.5452
337 Y A 0.7689
338 C A 0.0000
339 A A 0.4659
340 C A 0.3264
341 P A 0.1311
342 M A 0.8172
343 G A -0.1423
344 K A -1.0870
345 T A -0.7005
346 G A 0.0443
347 L A 1.3062
348 L A 1.2814
349 C A 0.0000
350 H A -0.7189
351 L A -1.3948
352 D A -2.5010
353 D A -1.4851
354 A A -1.0900
355 C A -0.1917
356 V A 0.6565
357 S A -0.1834
358 N A -1.0733
359 P A -1.0769
360 C A -1.1668
361 H A -2.1186
362 E A -2.8453
363 D A -2.2016
364 A A -0.7340
365 I A 1.2862
366 C A 0.4113
367 D A -0.1803
368 T A 0.0000
369 N A -0.7891
370 P A -0.1904
371 V A 0.6172
372 N A -1.2529
373 G A -1.7897
374 R A -2.2146
375 A A -0.8207
376 I A 0.3257
377 C A 0.0471
378 T A 0.0946
379 C A -0.4097
380 P A -0.3760
381 P A -0.4869
382 G A -0.7593
383 F A -1.4812
384 T A -1.2230
385 G A -1.4114
386 G A -0.9964
387 A A -1.3143
388 C A 0.0000
389 D A -2.9238
390 Q A -2.5784
391 D A -1.9568
392 V A -0.8833
393 D A -0.7841
394 E A -0.1391
395 C A -0.1063
396 S A 0.1783
397 I A 1.4534
398 G A 0.1396
399 A A -0.4728
400 N A -1.5380
401 P A -0.9502
402 C A 0.0000
403 E A -2.6246
404 H A -1.8121
405 L A -0.1643
406 G A 0.0000
407 R A -2.1289
408 C A 0.0000
409 V A 0.0524
410 N A -0.4509
411 T A -0.4451
412 Q A -1.7035
413 G A -1.4695
414 S A -0.2990
415 F A 0.1608
416 L A 0.6097
417 C A -0.9636
418 Q A -1.5203
419 C A -1.6626
420 G A -1.3683
421 R A -2.0078
422 G A 0.0000
423 Y A -1.4411
424 T A -1.6122
425 G A -1.2511
426 P A -1.0050
427 R A -2.1897
428 C A 0.0000
429 E A -2.4647
430 T A -1.8665
431 D A -1.9952
432 V A -0.8599
433 N A -0.6647
434 E A -0.5456
435 C A -0.0399
436 L A 1.0201
437 S A 0.1645
438 G A -0.5048
439 P A -0.3250
440 C A -0.9158
441 R A -2.2726
442 N A -2.0505
443 Q A -1.9626
444 A A -0.9603
445 T A -0.4457
446 C A -0.2560
447 L A 0.0000
448 D A -0.6714
449 R A -0.3578
450 I A 0.4604
451 G A -0.8750
452 Q A -1.0965
453 F A -0.4357
454 T A -0.2104
455 C A 0.0000
456 I A 0.0839
457 C A -0.1848
458 M A -0.0533
459 A A 0.1814
460 G A 0.0000
461 F A -0.3387
462 T A -0.1578
463 G A -0.1047
464 T A 0.1294
465 Y A 0.1891
466 C A 0.0000
467 E A -0.9987
468 V A -0.2286
469 D A -1.7371
470 I A -1.3330
471 D A -2.9427
472 E A -2.8648
473 C A -2.0804
474 Q A -2.1853
475 S A -1.5457
476 S A -0.5105
477 P A -0.1847
478 C A 0.2727
479 V A 0.5261
480 N A -0.7164
481 G A -0.2420
482 G A 0.3904
483 V A 1.2746
484 C A -0.4486
485 K A -2.0629
486 D A -3.4652
487 R A -2.8078
488 V A -0.5001
489 N A -1.4420
490 G A -1.4397
491 F A -1.5415
492 S A -0.7307
493 C A 0.2233
494 T A 0.3945
495 C A 0.3532
496 P A -0.3307
497 S A -0.9645
498 G A -1.9328
499 F A -0.9906
500 S A -0.4332
501 G A -0.6000
502 S A -0.2851
503 T A 0.0210
504 C A 0.0000
505 Q A -1.0130
506 L A -0.2620
507 D A -2.4453
508 V A -1.8532
509 D A -2.8422
510 E A -2.7749
511 C A -1.6736
512 A A -1.0021
513 S A -0.7163
514 T A -0.8987
515 P A -0.7869
516 C A 0.0000
517 R A -3.1285
518 N A -3.1365
519 G A -2.4097
520 A A -2.9001
521 K A -2.9438
522 C A -2.1949
523 V A -1.8453
524 D A -3.1454
525 Q A -2.8375
526 P A -2.5526
527 D A -2.9128
528 G A -2.1678
529 Y A -1.9940
530 E A -2.2589
531 C A -2.2438
532 R A -2.8597
533 C A -2.9125
534 A A -2.0331
535 E A -1.8548
536 G A -1.3160
537 F A -2.7120
538 E A -3.3085
539 G A -2.1682
540 T A -1.4177
541 L A -1.7751
542 C A 0.0000
543 D A -3.7710
544 R A -3.9832
545 N A -2.9462
546 V A -2.0530
547 D A -2.5325
548 D A -1.6219
549 C A -1.7535
550 S A -1.7089
551 P A -1.5784
552 D A -2.6813
553 P A -1.6369
554 C A 0.0000
555 H A -2.2096
556 H A -1.8288
557 G A -1.7119
558 R A -2.1365
559 C A -1.1072
560 V A 0.0720
561 D A -1.1686
562 G A 0.1080
563 I A 0.9147
564 A A -0.2329
565 S A -0.0104
566 F A 0.1547
567 S A 0.1962
568 C A -0.3271
569 A A -0.1328
570 C A -0.5041
571 A A -0.5226
572 P A -0.3142
573 G A -0.6238
574 Y A -0.7576
575 T A -0.3435
576 G A -0.0681
577 I A 1.1858
578 R A -1.0696
579 C A 0.0000
580 E A -1.8923
581 S A -1.2624
582 Q A -1.1639
583 V A -1.2197
584 D A -2.5483
585 E A -2.2735
586 C A 0.0000
587 R A -3.0308
588 S A -1.9895
589 Q A -2.7012
590 P A -1.4001
591 C A -1.7507
592 R A -2.8567
593 H A -1.7734
594 G A -2.0044
595 G A -2.2229
596 K A -2.7990
597 C A 0.0000
598 L A -0.8790
599 D A -1.8068
600 L A -0.2479
601 V A 0.0842
602 D A -1.9957
603 K A -1.7617
604 Y A -0.3619
605 L A 0.6348
606 C A -0.7955
607 R A -2.0157
608 C A -1.2131
609 P A -1.3524
610 S A -0.7569
611 G A -0.8310
612 T A 0.0000
613 T A 0.0347
614 G A 0.1984
615 V A 1.3291
616 N A -0.4876
617 C A 0.0000
618 E A -0.7997
619 V A 0.4139
620 N A -0.8078
621 I A -0.1864
622 D A -2.2452
623 D A -2.8257
624 C A -1.9295
625 A A -1.0384
626 S A -1.1810
627 N A -1.3273
628 P A -0.3370
629 C A 0.2192
630 T A 0.5857
631 F A 1.3368
632 G A 0.8718
633 V A 1.3253
634 C A -0.3395
635 R A -2.5450
636 D A -2.6157
637 G A -2.0980
638 I A -0.9779
639 N A -2.2427
640 R A -3.0279
641 Y A -2.5598
642 D A -1.8130
643 C A -0.0360
644 V A 0.7072
645 C A 0.6514
646 Q A -0.5299
647 P A -1.2856
648 G A -1.7295
649 F A -0.5399
650 T A 0.1373
651 G A 0.1791
652 P A 0.0119
653 L A 0.8300
654 C A 0.0000
655 N A -0.2794
656 V A 0.6164
657 E A -1.4547
658 I A -1.1306
659 N A -1.8014
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2245 L A 2.0218
2246 T A 0.8338
2247 P A -0.1197
2248 S A -0.6917
2249 P A -1.3962
2250 E A -2.3850
2251 S A -1.9605
2252 P A -1.7913
2253 E A -2.4476
2254 H A -1.4503
2255 W A 0.1924
2256 A A -0.0322
2257 S A -0.1616
2258 P A -0.3986
2259 S A -0.5906
2260 P A -0.4623
2261 P A -0.1887
2262 S A 0.0771
2263 L A 0.9421
2264 S A -0.0863
2265 D A -0.9986
2266 W A -0.1217
2267 S A -1.0033
2268 E A -1.7825
2269 S A -1.3152
2270 T A -0.8000
2271 P A -0.5000
2272 S A -0.4827
2273 P A -0.4118
2274 A A -0.1298
2275 T A -0.1554
2276 A A -0.1244
2277 T A -0.2751
2278 G A -0.2393
2279 A A 0.3470
2280 M A 1.0001
2281 A A 0.5631
2282 T A 0.1548
2283 T A -0.2375
2284 T A -0.3520
2285 G A -0.1680
2286 A A 0.5096
2287 L A 1.3522
2288 P A 0.2904
2289 A A -0.4539
2290 Q A -1.0214
2291 P A -0.1339
2292 L A 1.3497
2293 P A 1.1269
2294 L A 2.0199
2295 S A 1.4202
2296 V A 1.8181
2297 P A 0.4285
2298 S A 0.2717
2299 S A 0.5078
2300 L A 1.1457
2301 A A 0.1180
2302 Q A -1.0648
2303 A A -1.1938
2304 Q A -1.7106
2305 T A -0.8953
2306 Q A -0.7148
2307 L A 0.5861
2308 G A -0.3731
2309 P A -0.8352
2310 Q A -1.9667
2311 P A -1.4534
2312 E A -1.3342
2313 V A 0.7035
2314 T A -0.0490
2315 P A -1.3673
2316 K A -2.8577
2317 R A -2.8834
2318 Q A -1.2089
2319 V A 1.2675
2320 L A 2.1603
2321 A A 1.2025
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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 -0.0634 7.1994 View CSV PDB
4.5 -0.1472 7.131 View CSV PDB
5.0 -0.2482 7.0286 View CSV PDB
5.5 -0.3522 6.9699 View CSV PDB
6.0 -0.4471 6.9699 View CSV PDB
6.5 -0.5255 6.9699 View CSV PDB
7.0 -0.5873 6.9699 View CSV PDB
7.5 -0.6378 6.9699 View CSV PDB
8.0 -0.6802 6.9699 View CSV PDB
8.5 -0.713 6.9699 View CSV PDB
9.0 -0.7325 6.9699 View CSV PDB