Project name: G73S_5

Status: done

Started: 2026-05-21 00:16:44
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVSERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:13)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:13)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:13)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:13)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:36)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:36)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:29:47)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/ac120b9187e3ded/tmp/folded.pdb                (00:29:47)
[INFO]       Main:     Simulation completed successfully.                                          (01:26:10)
Show buried residues

Minimal score value
-2.5358
Maximal score value
2.2794
Average score
-0.2834
Total score value
-657.8246

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 0.9668
2 G A -0.3165
3 P A -0.4234
4 G A -0.5016
5 A A -0.3632
6 R A -1.9167
7 G A -1.1279
8 R A -2.2573
9 R A -2.5100
10 R A -2.5285
11 R A -2.5358
12 R A -2.5279
13 R A -2.2296
14 P A -0.3928
15 M A 0.9780
16 S A -0.0079
17 P A -0.3294
18 P A -0.3479
19 P A -0.3481
20 P A -0.3479
21 P A -0.3481
22 P A -0.3485
23 P A 0.0266
24 V A 1.3859
25 R A -1.5066
26 A A -0.0018
27 L A 1.5400
28 P A 0.4336
29 L A 1.6816
30 L A 2.0878
31 L A 2.1093
32 L A 2.1129
33 L A 1.8430
34 A A 0.2778
35 G A -0.4342
36 P A -0.4141
37 G A -0.5028
38 A A -0.0180
39 A A 0.0717
40 A A -0.0230
41 P A -0.2721
42 P A -0.1143
43 C A 0.4751
44 L A 1.2642
45 D A -1.5948
46 G A -0.8177
47 S A -0.2501
48 P A -0.0920
49 C A 0.0000
50 A A -0.1471
51 N A -0.9844
52 G A -0.6303
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1410
57 Q A -0.5276
58 L A 0.5888
59 P A -0.1566
60 S A -0.5861
61 R A -2.2171
62 E A -2.1595
63 A A 0.0000
64 A A 0.0265
65 C A 0.3720
66 L A 1.6066
67 C A 0.5104
68 P A -0.0680
69 P A -0.2764
70 G A -0.0769
71 W A 0.0573
72 V A 0.2947
73 S A -0.3189
74 E A -1.8873
75 R A -0.6681
76 C A 0.0000
77 Q A -1.1333
78 L A -0.2031
79 E A -1.7669
80 D A -0.5936
81 P A -0.0712
82 C A -0.0781
83 H A -1.0092
84 S A -0.4772
85 G A -0.5160
86 P A -0.1333
87 C A -0.0128
88 A A -0.0050
89 G A -0.5716
90 R A -1.8994
91 G A -0.0432
92 V A 1.7889
93 C A 0.3205
94 Q A -0.8846
95 S A -0.1192
96 S A -0.0028
97 V A 1.0715
98 V A 1.9253
99 A A 0.2980
100 G A -0.4642
101 T A -0.1309
102 A A 0.0000
103 R A -1.6906
104 F A 0.4259
105 S A -0.0434
106 C A -0.2761
107 R A -1.7818
108 C A -0.1229
109 P A -0.3705
110 R A -1.8582
111 G A 0.0000
112 F A 0.8160
113 R A -0.6859
114 G A -0.4320
115 P A -0.4315
116 D A -0.7869
117 C A 0.0000
118 S A -0.0895
119 L A 0.5870
120 P A -0.0321
121 D A -0.2338
122 P A -0.0662
123 C A 0.2785
124 L A 1.1199
125 S A -0.0421
126 S A -0.2595
127 P A -0.0715
128 C A 0.0677
129 A A -0.1192
130 H A -0.8815
131 G A -0.6093
132 A A -0.3993
133 R A -1.8430
134 C A 0.0000
135 S A -0.0369
136 V A 0.4907
137 G A -0.0129
138 P A -0.5889
139 D A -1.8625
140 G A -0.8046
141 R A -1.8143
142 F A 0.3046
143 L A 1.6195
144 C A 0.3302
145 S A -0.1647
146 C A 0.1244
147 P A -0.0824
148 P A -0.2761
149 G A -0.0826
150 Y A -0.1854
151 Q A -1.2612
152 G A -1.0292
153 R A -1.9342
154 S A -0.3467
155 C A 0.0000
156 R A -1.8836
157 S A -0.6876
158 D A -0.6614
159 V A 0.1845
160 D A -0.3506
161 E A -0.7288
162 C A -0.3314
163 R A -1.4985
164 V A 1.3847
165 G A -0.2882
166 E A -1.8796
167 P A -0.3749
168 C A 0.0000
169 R A -1.6189
170 H A -1.2278
171 G A -0.6345
172 G A -0.1272
173 T A -0.0595
174 C A 0.2245
175 L A 0.4847
176 N A -0.4412
177 T A 0.0000
178 P A -0.2666
179 G A -0.1453
180 S A -0.0824
181 F A -0.0572
182 R A -1.7528
183 C A -0.4625
184 Q A -1.1390
185 C A -0.0230
186 P A -0.0560
187 A A 0.0131
188 G A -0.0545
189 Y A 0.3333
190 T A 0.0242
191 G A -0.2252
192 P A -0.2152
193 L A 0.3584
194 C A 0.0000
195 E A -0.9151
196 N A -1.3528
197 P A -0.4075
198 A A 0.2334
199 V A 1.2217
200 P A 0.2183
201 C A 0.1180
202 A A -0.0150
203 P A -0.2682
204 S A -0.1819
205 P A -0.0893
206 C A -0.3104
207 R A -1.9929
208 N A -1.3056
209 G A -0.6340
210 G A -0.1120
211 T A -0.0615
212 C A -0.2537
213 R A -2.0377
214 Q A -1.4302
215 S A -0.3859
216 G A -0.5409
217 D A -1.5447
218 L A 1.2174
219 T A 0.3044
220 Y A 0.0429
221 D A -1.6839
222 C A 0.0000
223 A A 0.0704
224 C A 0.3916
225 L A 0.8647
226 P A -0.1066
227 G A -0.2455
228 F A -0.1651
229 E A -1.8309
230 G A -0.8510
231 Q A -1.3004
232 N A -0.4704
233 C A 0.0000
234 E A -0.3990
235 V A 0.9079
236 N A -0.1194
237 V A 0.2185
238 D A -1.7533
239 D A -0.7571
240 C A -0.0350
241 P A -0.3240
242 G A -0.6029
243 H A -0.9148
244 R A -1.9340
245 C A 0.0000
246 L A 1.1846
247 N A -0.6416
248 G A -0.6184
249 G A -0.1135
250 T A -0.0617
251 C A 0.2533
252 V A 0.7522
253 D A -0.7023
254 G A 0.0339
255 V A 1.5447
256 N A -0.8007
257 T A -0.2299
258 Y A -0.1513
259 N A -1.2176
260 C A -0.3691
261 Q A -1.1450
262 C A -0.0311
263 P A -0.0631
264 P A -0.3784
265 E A -0.6444
266 W A -0.0400
267 T A -0.2260
268 G A -0.5508
269 Q A -1.2029
270 F A 0.0896
271 C A 0.0000
272 T A -0.3505
273 E A -1.7037
274 D A -0.8580
275 V A 0.0059
276 D A -0.5003
277 E A -0.1213
278 C A -0.1456
279 Q A -0.8970
280 L A 1.0908
281 Q A -0.9629
282 P A -0.7009
283 N A -1.3176
284 A A -0.2224
285 C A 0.0000
286 H A -1.1208
287 N A -0.9457
288 G A -0.4037
289 G A -0.0859
290 T A 0.0017
291 C A 0.3333
292 F A 1.0618
293 N A -0.3512
294 T A 0.0949
295 L A 1.5042
296 G A 0.0855
297 G A -0.1817
298 H A -0.5717
299 S A -0.2781
300 C A 0.1610
301 V A 0.5429
302 C A 0.2832
303 V A 0.1259
304 N A -0.8445
305 G A 0.0000
306 W A 0.1226
307 T A -0.0403
308 G A -0.5786
309 E A -1.8745
310 S A -0.3880
311 C A 0.0000
312 S A -0.4314
313 Q A -1.3129
314 N A -0.4365
315 I A 0.5447
316 D A -1.6838
317 D A -0.6887
318 C A 0.0655
319 A A 0.0682
320 T A -0.0587
321 A A 0.3170
322 V A 1.6967
323 C A 0.6347
324 F A 0.7808
325 H A -0.9030
326 G A -0.6446
327 A A -0.0595
328 T A -0.0357
329 C A 0.0590
330 H A -0.5491
331 D A -0.7651
332 R A -0.1174
333 V A 1.0677
334 A A 0.2073
335 S A 0.0000
336 F A 0.4002
337 Y A 0.4742
338 C A 0.0000
339 A A 0.0755
340 C A 0.2695
341 P A 0.1503
342 M A 1.0197
343 G A -0.0301
344 K A -0.8357
345 T A -0.1273
346 G A 0.0219
347 L A 0.6056
348 L A 0.4884
349 C A 0.0000
350 H A -0.4672
351 L A -0.2255
352 D A -1.8807
353 D A -0.7135
354 A A -0.0299
355 C A 0.3896
356 V A 1.6259
357 S A -0.1404
358 N A -1.3306
359 P A -0.3242
360 C A 0.0190
361 H A -0.5336
362 E A -2.1855
363 D A -2.1196
364 A A 0.0755
365 I A 2.0416
366 C A 0.2040
367 D A -1.7618
368 T A 0.0000
369 N A -0.2329
370 P A 0.2343
371 V A 1.5336
372 N A -0.9775
373 G A -0.7066
374 R A -1.8700
375 A A 0.0000
376 I A 0.8157
377 C A 0.2389
378 T A -0.0035
379 C A 0.1855
380 P A -0.0354
381 P A -0.2693
382 G A -0.0398
383 F A 0.1575
384 T A -0.0688
385 G A -0.4952
386 G A -0.5365
387 A A -0.0525
388 C A 0.0000
389 D A -2.0081
390 Q A -1.5986
391 D A -0.5366
392 V A 0.0290
393 D A -1.0017
394 E A -0.4418
395 C A 0.0746
396 S A 0.1815
397 I A 1.8875
398 G A -0.1368
399 A A -0.2457
400 N A -1.1845
401 P A -0.2447
402 C A 0.0000
403 E A -1.8441
404 H A -0.3846
405 L A 1.4867
406 G A 0.0000
407 R A -1.9675
408 C A 0.0000
409 V A 0.5113
410 N A -0.2243
411 T A -0.2632
412 Q A -1.2146
413 G A -0.3187
414 S A -0.0596
415 F A 0.7084
416 L A 1.3618
417 C A 0.0812
418 Q A -1.3314
419 C A -0.0446
420 G A -0.5686
421 R A -1.9026
422 G A -0.1264
423 Y A 0.0260
424 T A -0.0360
425 G A -0.2058
426 P A -0.5488
427 R A -1.5350
428 C A 0.0000
429 E A -1.2652
430 T A -0.4787
431 D A -0.9622
432 V A 0.2977
433 N A -0.7576
434 E A -0.4591
435 C A 0.3424
436 L A 1.5314
437 S A -0.0165
438 G A -0.5118
439 P A -0.1056
440 C A -0.1502
441 R A -1.9571
442 N A -1.2546
443 Q A -1.3233
444 A A -0.1994
445 T A -0.0048
446 C A 0.1399
447 L A 0.0000
448 D A -1.0545
449 R A -1.4922
450 I A 1.6890
451 G A 0.0000
452 Q A -1.0176
453 F A -0.0245
454 T A 0.0374
455 C A 0.1247
456 I A 0.2473
457 C A 0.2642
458 M A 0.4091
459 A A 0.1051
460 G A -0.2366
461 F A -0.0293
462 T A -0.0465
463 G A -0.2623
464 T A 0.0390
465 Y A 0.8427
466 C A 0.0000
467 E A -0.4135
468 V A 0.7046
469 D A -1.3970
470 I A 0.2126
471 D A -1.4086
472 E A -1.1678
473 C A -0.2860
474 Q A -1.2196
475 S A -0.4697
476 S A -0.2586
477 P A -0.0665
478 C A 0.2383
479 V A 0.8153
480 N A -0.8088
481 G A -0.6397
482 G A 0.2031
483 V A 1.7886
484 C A 0.1716
485 K A -1.8836
486 D A -1.7031
487 R A -1.7242
488 V A 1.2028
489 N A -0.9770
490 G A -0.2245
491 F A 0.4460
492 S A 0.0880
493 C A 0.1010
494 T A -0.0171
495 C A 0.1451
496 P A -0.1132
497 S A -0.2458
498 G A -0.3444
499 F A 0.0326
500 S A -0.1069
501 G A -0.4149
502 S A -0.2800
503 T A -0.0402
504 C A 0.0000
505 Q A -0.9664
506 L A 0.7078
507 D A -1.3842
508 V A 0.1049
509 D A -1.6044
510 E A -1.3921
511 C A -0.1009
512 A A 0.0363
513 S A -0.2147
514 T A -0.1134
515 P A -0.0396
516 C A 0.0000
517 R A -1.5223
518 N A -1.4684
519 G A -0.6696
520 A A -0.3595
521 K A -1.6842
522 C A -0.1352
523 V A 0.2166
524 D A -1.5894
525 Q A -1.2834
526 P A -0.7523
527 D A -1.8677
528 G A -0.3381
529 Y A 0.0629
530 E A -1.3613
531 C A -0.5159
532 R A -1.7822
533 C A -0.0904
534 A A -0.2632
535 E A -1.8264
536 G A -0.3380
537 F A -0.1976
538 E A -1.4656
539 G A -0.6254
540 T A -0.0370
541 L A 0.5275
542 C A 0.0000
543 D A -2.1186
544 R A -2.3978
545 N A -1.4486
546 V A 0.1782
547 D A -1.7790
548 D A -0.9774
549 C A -0.2331
550 S A -0.2622
551 P A -0.6300
552 D A -1.8229
553 P A 0.0000
554 C A 0.0000
555 H A -1.0737
556 H A -0.6690
557 G A -0.5227
558 R A -1.8530
559 C A 0.0082
560 V A 0.9742
561 D A -1.5285
562 G A -0.1939
563 I A 1.9766
564 A A 0.3497
565 S A -0.0725
566 F A 0.2898
567 S A -0.0905
568 C A 0.0789
569 A A 0.1099
570 C A 0.2892
571 A A 0.0360
572 P A -0.2622
573 G A -0.0645
574 Y A 0.1098
575 T A -0.0455
576 G A -0.2778
577 T A -0.3054
578 R A -1.0632
579 C A 0.0000
580 E A -1.8407
581 S A -0.6467
582 Q A -0.9528
583 V A 0.4037
584 D A -1.3119
585 E A -0.6459
586 C A -0.3135
587 R A -1.8675
588 S A -0.7656
589 Q A -1.2427
590 P A -0.2422
591 C A -0.3021
592 R A -1.9056
593 H A -0.8279
594 G A -0.5494
595 G A -0.4179
596 K A -1.6961
597 C A -0.1599
598 L A 0.0439
599 D A -1.5298
600 L A 0.6549
601 V A 1.5996
602 D A -1.7722
603 K A -1.8683
604 Y A 0.0525
605 L A 1.1454
606 C A -0.0436
607 R A -1.7788
608 C A -0.0819
609 P A -0.0830
610 S A -0.2470
611 G A -0.2999
612 T A 0.0000
613 T A -0.0851
614 G A 0.0962
615 V A 1.6864
616 N A 0.0790
617 C A 0.0000
618 E A -0.4203
619 V A 0.8710
620 N A -0.4044
621 I A 1.2110
622 D A -1.6697
623 D A -1.3587
624 C A -0.0951
625 A A 0.0359
626 S A -0.4271
627 N A -1.3197
628 P A -0.2622
629 C A 0.1417
630 T A 0.1209
631 F A 0.9489
632 G A 0.4009
633 V A 1.7720
634 C A 0.1387
635 R A -1.9460
636 D A -0.9696
637 G A -0.2813
638 I A 0.5713
639 N A -1.4700
640 R A -1.9835
641 Y A -0.1207
642 D A -1.3091
643 C A -0.0232
644 V A 0.7480
645 C A 0.1594
646 Q A -0.5855
647 P A -0.5128
648 G A -0.2593
649 F A -0.0020
650 T A -0.0095
651 G A -0.2018
652 P A -0.1371
653 L A 0.7693
654 C A 0.0000
655 N A -0.9807
656 V A 1.0883
657 E A -1.3153
658 I A 0.3351
659 N A -1.2909
660 E A -1.2422
661 C A -0.0725
662 A A 0.0381
663 S A -0.2407
664 S A -0.2605
665 P A -0.0744
666 C A 0.1324
667 G A -0.3989
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1950 N A -0.3125
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1952 V A 0.4126
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1954 A A 0.0000
1955 T A 0.0000
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1960 K A -1.8402
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1967 M A -0.0835
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1969 D A 0.0000
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1971 K A -1.0491
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1973 E A 0.0000
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A 0.0000
1979 A A 0.0000
1980 A A 0.0000
1981 R A -0.6329
1982 E A -0.9632
1983 G A -0.3173
1984 S A 0.0000
1985 Y A 0.0791
1986 E A -1.3774
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.1972
1990 L A -0.1882
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8064
1994 H A -0.3777
1995 F A 0.8590
1996 A A 0.0000
1997 N A -0.4044
1998 R A -0.7409
1999 E A -1.8244
2000 I A -0.0136
2001 T A -0.0980
2002 D A 0.0000
2003 H A -0.0109
2004 L A 0.2276
2005 D A -1.7642
2006 R A -0.6542
2007 L A 0.3752
2008 P A 0.0000
2009 R A -0.8730
2010 D A -0.9804
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.3137
2015 R A -1.5869
2016 L A 1.1131
2017 H A -0.1202
2018 Q A -1.3660
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2268 E A -1.8998
2269 S A -0.5710
2270 T A -0.1565
2271 P A -0.3070
2272 S A -0.3058
2273 P A -0.2825
2274 A A -0.0016
2275 T A -0.0494
2276 A A 0.0324
2277 T A -0.1450
2278 G A -0.4686
2279 A A 0.1675
2280 M A 1.0770
2281 A A 0.2768
2282 T A -0.0769
2283 T A -0.1008
2284 T A -0.1745
2285 G A -0.4692
2286 A A 0.2581
2287 L A 1.5074
2288 P A 0.0674
2289 A A -0.2427
2290 Q A -1.2352
2291 P A -0.1900
2292 L A 1.4474
2293 P A 0.3722
2294 L A 1.4525
2295 S A 0.4721
2296 V A 1.6807
2297 P A 0.0295
2298 S A -0.3104
2299 S A 0.1207
2300 L A 1.5074
2301 A A 0.0580
2302 Q A -1.1732
2303 A A -0.4488
2304 Q A -1.1981
2305 T A -0.5319
2306 Q A -0.8387
2307 L A 1.1712
2308 G A -0.2408
2309 P A -0.6062
2310 Q A -1.3016
2311 P A -0.8477
2312 E A -1.5117
2313 V A 1.3918
2314 T A 0.2891
2315 P A -0.5055
2316 K A -2.0777
2317 R A -2.3907
2318 Q A -1.1970
2319 V A 1.8303
2320 L A 1.8976
2321 A A 0.4253
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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 -0.0132 4.6705 View CSV PDB
4.5 -0.0454 4.6705 View CSV PDB
5.0 -0.0845 4.6705 View CSV PDB
5.5 -0.1249 4.6705 View CSV PDB
6.0 -0.1613 4.6705 View CSV PDB
6.5 -0.1908 4.6705 View CSV PDB
7.0 -0.2133 4.6705 View CSV PDB
7.5 -0.231 4.6705 View CSV PDB
8.0 -0.2455 4.6705 View CSV PDB
8.5 -0.2564 4.6705 View CSV PDB
9.0 -0.2624 4.6705 View CSV PDB