Project name: P167S

Status: done

Started: 2026-05-15 06:34:39
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGESCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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.  (00:00:41)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:42)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:31:22)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/11cb426731b66ff/tmp/folded.pdb                (00:31:22)
[INFO]       Main:     Simulation completed successfully.                                          (01:09:46)
Show buried residues

Minimal score value
-4.8345
Maximal score value
5.5937
Average score
-0.7356
Total score value
-1707.3506

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 0.7190
2 G A -0.1844
3 P A -0.6534
4 G A -1.0233
5 A A -1.3220
6 R A -2.8020
7 G A -2.6902
8 R A -4.0487
9 R A -4.3627
10 R A -4.8345
11 R A -4.8284
12 R A -3.9631
13 R A -3.2295
14 P A -1.1763
15 M A 0.0269
16 S A -0.1737
17 P A -0.3769
18 P A -0.5176
19 P A -0.6807
20 P A -0.6877
21 P A -0.3871
22 P A -0.3187
23 P A -0.0974
24 V A 0.8749
25 R A -0.6189
26 A A 0.5665
27 L A 1.8394
28 P A 1.7919
29 L A 3.4693
30 L A 3.9808
31 L A 4.1222
32 L A 3.8124
33 L A 2.8619
34 A A 1.2334
35 G A 0.0910
36 P A -0.4367
37 G A -0.4984
38 A A -0.2891
39 A A -0.2107
40 A A -0.5225
41 P A -1.2065
42 P A -0.9726
43 C A -0.8682
44 L A -0.0184
45 D A -1.4336
46 G A -0.9845
47 S A -0.7416
48 P A -0.8674
49 C A -0.9118
50 A A -1.2283
51 N A -1.6762
52 G A -1.1989
53 G A -1.0159
54 R A -1.3421
55 C A 0.1099
56 T A -0.5295
57 Q A -1.7239
58 L A -1.2889
59 P A -1.3590
60 S A -1.8304
61 R A -3.0697
62 E A -2.8283
63 A A 0.0000
64 A A -0.8101
65 C A -0.4618
66 L A 0.7270
67 C A 0.0078
68 P A -0.2192
69 P A -0.4564
70 G A -1.0252
71 W A -0.8481
72 V A -0.7740
73 G A -0.8752
74 E A -1.8548
75 R A -1.5729
76 C A 0.0000
77 Q A -1.6107
78 L A -1.4579
79 E A -2.3291
80 D A -1.6674
81 P A -1.4280
82 C A -1.0275
83 H A -1.6108
84 S A -1.1474
85 G A -0.9600
86 P A -0.6633
87 C A -0.9116
88 A A -0.6067
89 G A -1.0240
90 R A -1.6626
91 G A -1.1085
92 V A 0.3599
93 C A -0.3442
94 Q A -0.8886
95 S A -0.6253
96 S A -0.1663
97 V A 0.5751
98 V A 1.4194
99 A A 0.5560
100 G A -0.2589
101 T A -0.1850
102 A A 0.0000
103 R A -1.4976
104 F A -0.8376
105 S A -0.9545
106 C A -1.0609
107 R A -1.7820
108 C A -1.1095
109 P A -1.2308
110 R A -1.7620
111 G A -0.3180
112 F A -0.1652
113 R A -0.5614
114 G A -0.5884
115 P A -0.8993
116 D A -1.0681
117 C A 0.0000
118 S A -0.3098
119 L A 0.5589
120 P A 0.0943
121 D A -0.0119
122 P A 0.2687
123 C A 0.3086
124 L A 0.5927
125 S A 0.1794
126 S A -0.1689
127 P A -0.3630
128 C A -1.0949
129 A A -1.5096
130 H A -1.6871
131 G A -1.2818
132 A A -1.5133
133 R A -1.7793
134 C A -0.1295
135 S A 0.0909
136 V A 0.3736
137 G A -0.4241
138 P A -1.1115
139 D A -2.1196
140 G A -1.3017
141 R A -1.5355
142 F A -0.2295
143 L A 0.3527
144 C A -0.5927
145 S A -0.8658
146 C A -1.2594
147 P A -0.8061
148 P A -0.4727
149 G A -0.8335
150 Y A -1.7585
151 Q A -2.3919
152 G A -2.4543
153 R A -2.3560
154 S A -1.8676
155 C A 0.0000
156 R A -2.9064
157 S A -2.2436
158 D A -1.8156
159 V A -1.1367
160 D A -1.1615
161 E A -1.3822
162 C A -1.2899
163 R A -1.7081
164 V A 0.0877
165 G A -1.0855
166 E A -2.5237
167 S A -1.5728
168 C A 0.0000
169 R A -3.1014
170 H A -2.3487
171 G A -1.7527
172 G A -1.7658
173 T A -1.2443
174 C A -1.3719
175 L A -0.5190
176 N A -1.1596
177 T A 0.0000
178 P A -1.1213
179 G A -1.0585
180 S A -0.7967
181 F A -0.9515
182 R A -1.8824
183 C A -1.6106
184 Q A -1.5399
185 C A -1.2713
186 P A -0.6400
187 A A 0.1491
188 G A 0.0844
189 Y A -0.5546
190 T A -0.7004
191 G A -0.9338
192 P A -1.1014
193 L A -1.3957
194 C A 0.0000
195 E A -1.8553
196 N A -1.5248
197 P A -0.5144
198 A A 0.2914
199 V A 0.9108
200 P A -0.1448
201 C A -0.3120
202 A A 0.1909
203 P A -0.0279
204 S A -0.7496
205 P A -1.1602
206 C A -2.1275
207 R A -2.8234
208 N A -1.8886
209 G A -1.2861
210 G A -1.6352
211 T A -1.2030
212 C A -1.8663
213 R A -2.9246
214 Q A -2.4080
215 S A -1.7610
216 G A -1.2771
217 D A -1.2056
218 L A 0.5435
219 T A -0.5745
220 Y A -1.5974
221 D A -2.8053
222 C A 0.0000
223 A A -0.9253
224 C A -0.8339
225 L A 0.1604
226 P A -0.3658
227 G A -0.3979
228 F A -1.0331
229 E A -2.0599
230 G A -1.8316
231 Q A -2.3508
232 N A -2.3398
233 C A 0.0000
234 E A -2.0104
235 V A -0.7927
236 N A -0.7883
237 V A -0.8373
238 D A -1.7196
239 D A -1.6898
240 C A -1.6084
241 P A -1.3927
242 G A -1.3143
243 H A -1.6249
244 R A -2.0152
245 C A 0.0000
246 L A 0.0982
247 N A -0.6671
248 G A -0.5963
249 G A -0.8316
250 T A -0.6959
251 C A -0.7522
252 V A -0.5850
253 D A -1.1345
254 G A -0.3845
255 V A 0.6263
256 N A -0.8843
257 T A -0.6796
258 Y A -1.3804
259 N A -1.8633
260 C A -1.3854
261 Q A -1.4371
262 C A -1.0930
263 P A -0.6227
264 P A -0.6981
265 E A -1.0972
266 W A -1.1081
267 T A -1.4669
268 G A -1.4788
269 Q A -1.8866
270 F A -1.3371
271 C A 0.0000
272 T A -1.2160
273 E A -2.0469
274 D A -1.3280
275 V A -0.8523
276 D A -0.8220
277 E A -0.9593
278 C A -0.6945
279 Q A -1.0364
280 L A 0.0242
281 Q A -1.4135
282 P A -1.4418
283 N A -2.0988
284 A A -1.4186
285 C A 0.0000
286 H A -1.8592
287 N A -1.6282
288 G A -0.8493
289 G A -0.0242
290 T A 0.7875
291 C A 0.5324
292 F A 1.6288
293 N A 0.0773
294 T A 0.4393
295 L A 0.7452
296 G A -0.4064
297 G A -0.1697
298 H A -0.2940
299 S A 0.1589
300 C A 0.7318
301 V A 1.9933
302 C A 0.5207
303 V A 0.7413
304 N A -0.2916
305 G A 0.0000
306 W A -0.5138
307 T A -0.8211
308 G A -1.2864
309 E A -2.0037
310 S A -1.4686
311 C A 0.0000
312 S A -1.5637
313 Q A -1.9355
314 N A -1.2228
315 I A -0.7542
316 D A -1.8699
317 D A -0.8682
318 C A -0.4580
319 A A -0.3535
320 T A 0.1080
321 A A 0.6517
322 V A 1.7836
323 C A 1.2548
324 F A 0.8419
325 H A -0.8364
326 G A -0.5183
327 A A 0.0893
328 T A -0.0118
329 C A -0.0244
330 H A -1.1437
331 D A -1.0625
332 R A -0.3895
333 V A 0.2989
334 A A -0.0413
335 S A 0.0000
336 F A 0.2111
337 Y A 0.4022
338 C A 0.0000
339 A A 0.2691
340 C A 0.3851
341 P A 0.1846
342 M A 0.8579
343 G A -0.0581
344 K A -0.9054
345 T A -0.6462
346 G A -0.1135
347 L A 0.9308
348 L A 1.1252
349 C A 0.0000
350 H A -0.2501
351 L A -1.2874
352 D A -2.2934
353 D A -1.2551
354 A A -1.0960
355 C A -0.0510
356 V A 0.8681
357 S A -0.0509
358 N A -1.0112
359 P A -1.0498
360 C A -1.1949
361 H A -2.2258
362 E A -2.8938
363 D A -2.2247
364 A A -0.7423
365 I A 1.2789
366 C A 0.4338
367 D A 0.0231
368 T A 0.0000
369 N A -0.9358
370 P A -0.3958
371 V A 0.0230
372 N A -1.5738
373 G A -1.8995
374 R A -2.2832
375 A A 0.0000
376 I A 0.4442
377 C A 0.0850
378 T A 0.4384
379 C A -0.3188
380 P A -0.3491
381 P A -0.4416
382 G A -0.7378
383 F A -1.4600
384 T A -1.1754
385 G A -1.3785
386 G A -0.9639
387 A A -1.3059
388 C A 0.0000
389 D A -2.9279
390 Q A -2.5767
391 D A -1.9504
392 V A -0.8840
393 D A -0.9911
394 E A -0.2503
395 C A -0.1852
396 S A 0.1075
397 I A 1.2273
398 G A 0.1804
399 A A -0.5246
400 N A -1.6184
401 P A -1.3082
402 C A 0.0000
403 E A -2.9018
404 H A -1.7161
405 L A -0.1117
406 G A 0.0000
407 R A -2.0324
408 C A 0.0000
409 V A 0.0330
410 N A -0.5030
411 T A -0.4784
412 Q A -1.7191
413 G A -1.4635
414 S A -0.3258
415 F A 0.1048
416 L A 0.5797
417 C A -0.9640
418 Q A -1.1608
419 C A -1.6533
420 G A -1.2586
421 R A -1.9103
422 G A -1.1573
423 Y A -1.2830
424 T A -1.5227
425 G A -1.3283
426 P A -1.2355
427 R A -2.6891
428 C A 0.0000
429 E A -2.6856
430 T A -1.7235
431 D A -1.4679
432 V A -0.7950
433 N A -0.7719
434 E A -0.6823
435 C A -0.0625
436 L A 0.9363
437 S A 0.1093
438 G A -0.5409
439 P A -0.3238
440 C A -0.7481
441 R A -2.2294
442 N A -1.8683
443 Q A -1.9194
444 A A -0.7803
445 T A -0.1223
446 C A 0.0703
447 L A -0.0467
448 D A -0.8592
449 R A -1.0227
450 I A 0.0721
451 G A -1.1078
452 Q A -1.3536
453 F A -0.4276
454 T A 0.0369
455 C A 0.3168
456 I A 0.5870
457 C A 0.1052
458 M A -0.0941
459 A A -0.0956
460 G A -0.8696
461 F A -0.4015
462 T A -0.1498
463 G A -0.0641
464 T A 0.2216
465 Y A 0.2572
466 C A 0.0000
467 E A -0.9959
468 V A -0.2719
469 D A -1.8229
470 I A -1.4641
471 D A -3.0659
472 E A -2.9580
473 C A -2.1632
474 Q A -2.2107
475 S A -1.3289
476 S A -0.6389
477 P A -0.3413
478 C A -0.0265
479 V A -0.0777
480 N A -1.0227
481 G A -0.4266
482 G A 0.1807
483 V A 1.1283
484 C A -0.6471
485 K A -2.3072
486 D A -3.6104
487 R A -2.8931
488 V A -0.6307
489 N A -1.5168
490 G A -1.5026
491 F A -1.6361
492 S A -0.8239
493 C A 0.0911
494 T A 0.3575
495 C A 0.2808
496 P A -0.3322
497 S A -0.9465
498 G A -1.7812
499 F A -1.0922
500 S A -0.5811
501 G A -0.5144
502 S A -0.2774
503 T A -0.1219
504 C A 0.0000
505 Q A -1.1500
506 L A -0.3991
507 D A -2.4155
508 V A -1.6634
509 D A -2.5675
510 E A -2.1883
511 C A -1.4277
512 A A -0.8314
513 S A -0.5689
514 T A -0.7887
515 P A -0.6752
516 C A 0.0000
517 R A -2.9721
518 N A -2.9784
519 G A -2.1616
520 A A -2.8014
521 K A -2.9597
522 C A -2.1600
523 V A -1.8561
524 D A -3.1640
525 Q A -2.7587
526 P A -2.4718
527 D A -2.8002
528 G A -2.0051
529 Y A -1.8663
530 E A -2.2384
531 C A -2.2251
532 R A -2.8149
533 C A -2.7802
534 A A -1.9694
535 E A -1.7685
536 G A -1.2633
537 F A -2.5100
538 E A -2.9619
539 G A -1.9311
540 T A -1.2804
541 L A -1.5939
542 C A 0.0000
543 D A -3.4535
544 R A -3.7951
545 N A -2.8853
546 V A -2.0000
547 D A -2.5028
548 D A -1.6034
549 C A -1.7101
550 S A -1.7058
551 P A -1.5872
552 D A -2.6816
553 P A -1.9471
554 C A 0.0000
555 H A -2.6059
556 H A -2.0245
557 G A -1.8008
558 R A -2.1422
559 C A -1.0721
560 V A 0.1760
561 D A -1.0302
562 G A 0.2134
563 I A 0.9539
564 A A -0.2021
565 S A 0.0832
566 F A 0.0587
567 S A -0.1463
568 C A -0.8622
569 A A -0.4577
570 C A -0.9340
571 A A -0.5647
572 P A -0.3517
573 G A -0.7261
574 Y A -1.0467
575 T A -1.0776
576 G A -1.4397
577 T A -1.1223
578 R A -2.4269
579 C A 0.0000
580 E A -2.8854
581 S A -1.9911
582 Q A -1.5953
583 V A -1.3698
584 D A -2.6603
585 E A -2.3049
586 C A 0.0000
587 R A -3.0480
588 S A -2.0229
589 Q A -2.7419
590 P A -1.4528
591 C A 0.0000
592 R A -2.7322
593 H A -1.8302
594 G A -2.0446
595 G A -2.2085
596 K A -2.7175
597 C A 0.0000
598 L A -0.5238
599 D A -1.6377
600 L A -0.2008
601 V A 0.0141
602 D A -2.0483
603 K A -1.7274
604 Y A -0.2932
605 L A 0.8259
606 C A -0.6948
607 R A -1.7640
608 C A -1.2184
609 P A -1.3409
610 S A -0.7948
611 G A -0.9351
612 T A 0.0000
613 T A -0.0254
614 G A 0.1852
615 V A 1.3174
616 N A -0.5525
617 C A 0.0000
618 E A -0.8536
619 V A 0.4003
620 N A -0.9372
621 I A -0.4927
622 D A -2.3703
623 D A -2.8833
624 C A -1.9694
625 A A -1.0701
626 S A -1.1755
627 N A -1.2416
628 P A -0.3563
629 C A 0.0560
630 T A 0.4137
631 F A 0.9615
632 G A 0.5978
633 V A 1.2102
634 C A -0.3521
635 R A -2.5500
636 D A -2.6909
637 G A -2.1720
638 I A -1.0351
639 N A -2.3041
640 R A -3.0986
641 Y A -2.6322
642 D A -1.9023
643 C A -0.1445
644 V A 0.6138
645 C A 0.3553
646 Q A -1.1862
647 P A -1.5950
648 G A 0.0000
649 F A -0.8613
650 T A 0.0278
651 G A 0.1832
652 P A 0.0217
653 L A 0.7110
654 C A 0.0000
655 N A -0.3930
656 V A 0.5777
657 E A -1.6483
658 I A -1.1051
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1953 E A -1.8078
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1971 K A -1.7956
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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
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1980 A A 0.0000
1981 R A -2.0954
1982 E A -1.9648
1983 G A -1.4559
1984 S A 0.0000
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1986 E A -1.6415
1987 A A 0.0000
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1989 K A -1.6389
1990 L A -1.0642
1991 L A 0.0000
1992 L A -0.9831
1993 D A -1.6809
1994 H A -0.7378
1995 F A 0.0373
1996 A A 0.0000
1997 N A -0.7252
1998 R A -1.1896
1999 E A -1.4531
2000 I A -0.9708
2001 T A -1.3912
2002 D A 0.0000
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2004 L A -0.0236
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2010 D A -2.6226
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2012 A A 0.0000
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2014 E A -3.1252
2015 R A -2.7346
2016 L A -0.8393
2017 H A -2.0920
2018 Q A -2.4951
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2247 P A -0.1196
2248 S A -0.6993
2249 P A -1.4172
2250 E A -2.3898
2251 S A -1.9744
2252 P A -1.8246
2253 E A -2.3751
2254 H A -1.4152
2255 W A 0.1378
2256 A A -0.0297
2257 S A -0.1579
2258 P A -0.3905
2259 S A -0.5955
2260 P A -0.4586
2261 P A -0.1888
2262 S A 0.0675
2263 L A 0.9475
2264 S A -0.0920
2265 D A -1.0159
2266 W A -0.1075
2267 S A -0.9487
2268 E A -1.7889
2269 S A -1.3609
2270 T A -0.8010
2271 P A -0.4946
2272 S A -0.4947
2273 P A -0.4122
2274 A A -0.1563
2275 T A -0.0873
2276 A A -0.1234
2277 T A -0.2750
2278 G A -0.2360
2279 A A 0.3466
2280 M A 1.0019
2281 A A 0.5646
2282 T A 0.1535
2283 T A -0.2356
2284 T A -0.3469
2285 G A -0.1609
2286 A A 0.5123
2287 L A 1.3532
2288 P A 0.2729
2289 A A -0.4485
2290 Q A -0.9926
2291 P A -0.1326
2292 L A 1.3459
2293 P A 1.2354
2294 L A 2.0093
2295 S A 1.4073
2296 V A 1.8136
2297 P A 0.4260
2298 S A 0.2625
2299 S A 0.5034
2300 L A 1.1504
2301 A A 0.1167
2302 Q A -1.0677
2303 A A -1.1890
2304 Q A -1.7075
2305 T A -0.8936
2306 Q A -0.7134
2307 L A 0.5873
2308 G A -0.3721
2309 P A -0.8355
2310 Q A -1.9673
2311 P A -1.4320
2312 E A -1.3327
2313 V A 0.7018
2314 T A -0.0559
2315 P A -1.3688
2316 K A -2.8580
2317 R A -2.8813
2318 Q A -1.2083
2319 V A 1.2627
2320 L A 2.1598
2321 A A 1.2012
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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 -0.037 7.0006 View CSV PDB
4.5 -0.1187 7.0006 View CSV PDB
5.0 -0.2182 7.0006 View CSV PDB
5.5 -0.3212 7.0006 View CSV PDB
6.0 -0.4154 7.0006 View CSV PDB
6.5 -0.4934 7.0006 View CSV PDB
7.0 -0.5547 7.0006 View CSV PDB
7.5 -0.6044 7.0006 View CSV PDB
8.0 -0.646 7.0006 View CSV PDB
8.5 -0.6784 7.0006 View CSV PDB
9.0 -0.6981 7.0006 View CSV PDB