Project name: C493S_5

Status: done

Started: 2026-05-19 00:23:11
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSSTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:33)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:34)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:31:40)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/ab1e7b77f3fe14e/tmp/folded.pdb                (00:31:40)
[INFO]       Main:     Simulation completed successfully.                                          (01:15:11)
Show buried residues

Minimal score value
-2.6307
Maximal score value
2.6908
Average score
-0.2775
Total score value
-644.0655

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 0.9672
2 G A -0.3191
3 P A -0.4314
4 G A -0.5038
5 A A -0.3701
6 R A -1.9488
7 G A -1.2371
8 R A -2.3079
9 R A -2.6307
10 R A -2.5730
11 R A -2.6009
12 R A -2.6190
13 R A -2.2393
14 P A -0.4234
15 M A 0.9658
16 S A -0.0639
17 P A -0.3480
18 P A -0.3567
19 P A -0.3511
20 P A -0.3596
21 P A -0.3593
22 P A -0.3511
23 P A 0.0445
24 V A 1.3897
25 R A -1.5093
26 A A 0.0090
27 L A 1.5131
28 P A 0.3073
29 L A 1.7894
30 L A 2.1234
31 L A 2.1220
32 L A 2.1212
33 L A 1.8450
34 A A 0.2599
35 G A -0.5019
36 P A -0.4273
37 G A -0.5033
38 A A -0.0172
39 A A 0.0755
40 A A 0.0126
41 P A -0.2039
42 P A -0.1781
43 C A 0.4540
44 L A 1.2637
45 D A -1.5960
46 G A -0.8249
47 S A -0.2717
48 P A 0.0000
49 C A -0.0672
50 A A -0.1195
51 N A -0.9459
52 G A -0.6229
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.2051
57 Q A -0.8494
58 L A 0.6719
59 P A -0.1306
60 S A -0.5858
61 R A -2.2163
62 E A -2.1576
63 A A -0.4523
64 A A 0.0262
65 C A 0.3721
66 L A 1.6064
67 C A 0.5088
68 P A -0.0710
69 P A -0.2803
70 G A -0.0926
71 W A 0.0621
72 V A 0.2849
73 G A -0.3601
74 E A -2.0335
75 R A -1.4350
76 C A 0.0000
77 Q A -0.5773
78 L A -0.1871
79 E A -1.7808
80 D A -0.5893
81 P A -0.0726
82 C A -0.0780
83 H A -1.0092
84 S A -0.4767
85 G A -0.5157
86 P A -0.1324
87 C A -0.0025
88 A A -0.0011
89 G A -0.5594
90 R A -1.8977
91 G A -0.0482
92 V A 1.7838
93 C A 0.3789
94 Q A -0.4424
95 S A -0.0939
96 S A -0.1078
97 V A 0.8710
98 V A 1.8731
99 A A 0.2953
100 G A -0.4645
101 T A -0.1326
102 A A 0.0000
103 R A -1.7232
104 F A 0.2477
105 S A -0.0776
106 C A -0.2854
107 R A -1.7867
108 C A -0.1448
109 P A -0.3742
110 R A -1.8701
111 G A -0.2385
112 F A 0.9320
113 R A -0.2546
114 G A -0.2647
115 P A -0.3991
116 D A -0.6980
117 C A 0.0000
118 S A -0.0314
119 L A 0.6583
120 P A -0.0264
121 D A -0.3046
122 P A -0.0686
123 C A 0.2410
124 L A 0.9477
125 S A -0.0732
126 S A -0.2589
127 P A -0.0689
128 C A 0.0741
129 A A -0.1218
130 H A -0.9064
131 G A -0.6132
132 A A -0.3982
133 R A -1.8077
134 C A -0.1864
135 S A -0.0308
136 V A 0.7762
137 G A 0.0561
138 P A -0.5874
139 D A -1.8481
140 G A -0.7044
141 R A -1.7035
142 F A 0.2478
143 L A 1.1488
144 C A 0.2817
145 S A -0.1602
146 C A 0.1350
147 P A -0.0814
148 P A -0.2766
149 G A -0.0847
150 Y A -0.1751
151 Q A -1.2593
152 G A -1.0323
153 R A -1.9311
154 S A 0.0000
155 C A 0.0000
156 R A -1.8836
157 S A -0.6844
158 D A -0.6493
159 V A 0.1659
160 D A -0.3731
161 E A -0.7943
162 C A -0.3462
163 R A -1.4986
164 V A 1.4015
165 G A -0.2002
166 E A -1.8659
167 P A -0.3879
168 C A 0.0000
169 R A -1.9915
170 H A -1.2308
171 G A -0.6233
172 G A -0.1274
173 T A -0.0576
174 C A 0.2197
175 L A 0.4192
176 N A -0.3571
177 T A -0.1011
178 P A -0.2700
179 G A -0.1564
180 S A -0.0895
181 F A -0.0359
182 R A -1.7525
183 C A -0.4589
184 Q A -1.1400
185 C A -0.0242
186 P A -0.0538
187 A A 0.0199
188 G A -0.0204
189 Y A 0.3362
190 T A 0.0242
191 G A -0.1951
192 P A -0.1934
193 L A 0.4465
194 C A 0.0000
195 E A -0.7434
196 N A -1.3441
197 P A -0.4129
198 A A 0.2956
199 V A 1.5460
200 P A 0.2815
201 C A 0.1309
202 A A -0.0109
203 P A -0.2678
204 S A -0.1793
205 P A -0.0669
206 C A -0.3016
207 R A -1.9954
208 N A -1.3184
209 G A -0.6353
210 G A -0.1144
211 T A -0.0608
212 C A -0.2475
213 R A -2.0528
214 Q A -1.5210
215 S A -0.4089
216 G A -0.5378
217 D A -1.5715
218 L A 1.0558
219 T A 0.2533
220 Y A -0.1094
221 D A -1.7078
222 C A 0.0000
223 A A 0.0649
224 C A 0.3676
225 L A 0.7776
226 P A -0.1226
227 G A -0.2913
228 F A -0.1658
229 E A -1.8322
230 G A -0.8541
231 Q A -1.2915
232 N A -0.4196
233 C A 0.0000
234 E A -0.6486
235 V A 0.9886
236 N A -0.0403
237 V A 0.2024
238 D A -1.7576
239 D A -0.7573
240 C A -0.0364
241 P A -0.3244
242 G A -0.6020
243 H A -0.9119
244 R A -1.9336
245 C A 0.0000
246 L A 1.2614
247 N A -0.6411
248 G A -0.6214
249 G A -0.1145
250 T A -0.0618
251 C A 0.2482
252 V A 0.7478
253 D A -0.5110
254 G A 0.1283
255 V A 1.5232
256 N A -0.9710
257 T A -0.2411
258 Y A -0.0900
259 N A -1.2118
260 C A -0.3661
261 Q A -1.1440
262 C A -0.0256
263 P A -0.0637
264 P A -0.4033
265 E A -0.7980
266 W A -0.0388
267 T A -0.0602
268 G A -0.5333
269 Q A -1.2070
270 F A 0.0494
271 C A 0.0000
272 T A -0.4044
273 E A -1.9077
274 D A -0.6919
275 V A -0.0784
276 D A -1.0124
277 E A -0.3686
278 C A -0.1720
279 Q A -0.8967
280 L A 1.0784
281 Q A -0.9376
282 P A -0.6961
283 N A -1.3178
284 A A -0.2231
285 C A 0.0000
286 H A -1.1280
287 N A -1.0236
288 G A -0.6139
289 G A -0.1219
290 T A -0.0154
291 C A 0.4479
292 F A 1.6458
293 N A -0.2719
294 T A 0.0845
295 L A 1.5066
296 G A 0.0273
297 G A -0.1946
298 H A -0.5155
299 S A -0.2540
300 C A 0.3991
301 V A 1.8258
302 C A 0.6031
303 V A 0.3057
304 N A -1.1801
305 G A 0.0000
306 W A 0.1285
307 T A -0.0404
308 G A -0.5791
309 E A -1.8754
310 S A -0.3900
311 C A 0.0000
312 S A -0.4318
313 Q A -1.3005
314 N A -0.3810
315 I A 0.4905
316 D A -1.7266
317 D A -0.8539
318 C A 0.0354
319 A A 0.0680
320 T A -0.0586
321 A A 0.3366
322 V A 1.7959
323 C A 0.6707
324 F A 0.8374
325 H A -0.8934
326 G A -0.6442
327 A A -0.0598
328 T A -0.0379
329 C A 0.0845
330 H A -0.4162
331 D A -0.7977
332 R A -1.6635
333 V A 1.1654
334 A A 0.2808
335 S A -0.1928
336 F A 0.6596
337 Y A 1.0668
338 C A 0.0000
339 A A 0.0742
340 C A 0.2645
341 P A 0.1453
342 M A 1.0199
343 G A -0.0268
344 K A -0.8332
345 T A -0.1183
346 G A 0.2052
347 L A 1.6150
348 L A 0.7144
349 C A 0.0000
350 H A -0.3936
351 L A -0.1428
352 D A -1.8711
353 D A -0.7262
354 A A -0.0297
355 C A 0.3890
356 V A 1.6010
357 S A -0.1449
358 N A -1.3334
359 P A -0.3397
360 C A 0.0085
361 H A -0.5905
362 E A -2.1937
363 D A -2.1176
364 A A 0.0752
365 I A 2.0411
366 C A 0.2034
367 D A -1.7624
368 T A 0.0000
369 N A -0.2580
370 P A 0.1226
371 V A 1.5157
372 N A -0.9651
373 G A -0.6352
374 R A -1.8562
375 A A -0.1877
376 I A 0.8274
377 C A 0.2486
378 T A -0.0134
379 C A 0.1830
380 P A 0.0000
381 P A -0.2633
382 G A -0.0284
383 F A 0.2039
384 T A -0.1812
385 G A -0.4784
386 G A -0.5324
387 A A -0.0482
388 C A 0.0000
389 D A -2.0069
390 Q A -1.5890
391 D A -0.4753
392 V A -0.0073
393 D A -1.1552
394 E A -0.5184
395 C A 0.0818
396 S A 0.1851
397 I A 1.8876
398 G A -0.0830
399 A A -0.2398
400 N A -1.1545
401 P A -0.2419
402 C A 0.0000
403 E A -1.6584
404 H A -0.4773
405 L A 1.4629
406 G A 0.0000
407 R A -1.9682
408 C A 0.0000
409 V A 0.5626
410 N A -0.1997
411 T A -0.2713
412 Q A -1.2183
413 G A -0.3176
414 S A -0.0378
415 F A 0.7713
416 L A 1.6122
417 C A 0.1264
418 Q A -1.3314
419 C A -0.0364
420 G A -0.5816
421 R A -1.9041
422 G A 0.0000
423 Y A -0.0320
424 T A -0.0350
425 G A -0.2077
426 P A -0.5650
427 R A -1.6229
428 C A 0.0000
429 E A -1.3435
430 T A -0.6047
431 D A -1.6455
432 V A 0.2460
433 N A -0.5106
434 E A -0.2673
435 C A 0.3459
436 L A 1.5269
437 S A -0.0140
438 G A -0.5117
439 P A -0.1061
440 C A -0.1517
441 R A -1.9259
442 N A -1.0865
443 Q A -1.2926
444 A A -0.1986
445 T A -0.0437
446 C A 0.2407
447 L A 0.2666
448 D A -1.8504
449 R A -1.1871
450 I A 1.5794
451 G A -0.1477
452 Q A -1.1375
453 F A -0.0494
454 T A 0.0596
455 C A 0.4231
456 I A 1.8971
457 C A 0.6478
458 M A 0.4959
459 A A 0.1401
460 G A 0.0000
461 F A 0.0000
462 T A -0.0857
463 G A -0.2611
464 T A 0.0382
465 Y A 0.8426
466 C A 0.0000
467 E A -0.4251
468 V A 0.7632
469 D A -1.2517
470 I A 0.3526
471 D A -1.5071
472 E A -0.7092
473 C A -0.2001
474 Q A -1.2200
475 S A -0.4681
476 S A -0.2608
477 P A -0.0789
478 C A 0.2743
479 V A 0.9887
480 N A -0.7967
481 G A -0.6424
482 G A 0.2025
483 V A 1.7846
484 C A 0.1994
485 K A -1.6559
486 D A -2.2952
487 R A -1.8055
488 V A 1.0704
489 N A -0.9959
490 G A -0.2461
491 F A 0.1299
492 S A 0.0583
493 S A -0.0496
494 T A -0.0264
495 C A 0.1440
496 P A -0.1067
497 S A -0.2418
498 G A -0.2892
499 F A 0.0039
500 S A 0.0266
501 G A -0.3927
502 S A -0.2762
503 T A -0.0413
504 C A 0.0000
505 Q A -0.9572
506 L A 0.7727
507 D A -1.3961
508 V A -0.0371
509 D A -1.8390
510 E A -1.2109
511 C A -0.0562
512 A A 0.0374
513 S A -0.2150
514 T A -0.1146
515 P A -0.0439
516 C A 0.0000
517 R A -1.6174
518 N A -1.4111
519 G A -0.6555
520 A A -0.3539
521 K A -1.6856
522 C A -0.1377
523 V A 0.2138
524 D A -1.7375
525 Q A -1.3498
526 P A -0.7560
527 D A -1.8651
528 G A -0.3477
529 Y A -0.0172
530 E A -1.3867
531 C A -0.5268
532 R A -1.7813
533 C A -0.0803
534 A A -0.2630
535 E A -1.8271
536 G A -0.1394
537 F A -0.1534
538 E A -1.7131
539 G A -0.5916
540 T A -0.0485
541 L A 0.3825
542 C A 0.0000
543 D A -2.1219
544 R A -2.2783
545 N A -0.7795
546 V A 0.2793
547 D A -1.7953
548 D A -1.0598
549 C A -0.2737
550 S A -0.2658
551 P A -0.6316
552 D A -1.8292
553 P A -0.3553
554 C A 0.0000
555 H A -1.0736
556 H A -0.6639
557 G A -0.5044
558 R A -1.8470
559 C A -0.0376
560 V A 0.9320
561 D A -0.6768
562 G A 0.0349
563 I A 1.9876
564 A A 0.3607
565 S A -0.0834
566 F A 0.2780
567 S A -0.1104
568 C A 0.0702
569 A A -0.0936
570 C A 0.2336
571 A A 0.0118
572 P A -0.2501
573 G A 0.0000
574 Y A 0.1594
575 T A -0.0544
576 G A -0.2838
577 T A -0.3088
578 R A -1.0742
579 C A 0.0000
580 E A -1.7478
581 S A -0.5730
582 Q A -0.6645
583 V A 0.3573
584 D A -1.1347
585 E A -0.5140
586 C A -0.2876
587 R A -1.8653
588 S A -0.7672
589 Q A -1.2423
590 P A -0.2464
591 C A 0.0000
592 R A -1.8507
593 H A -0.8037
594 G A -0.5460
595 G A -0.4148
596 K A -1.6966
597 C A -0.1595
598 L A 0.1055
599 D A -1.4989
600 L A 0.8187
601 V A 1.6314
602 D A -1.7822
603 K A -1.8672
604 Y A -0.0451
605 L A 1.0133
606 C A 0.0000
607 R A -1.7941
608 C A -0.0764
609 P A -0.0840
610 S A -0.2464
611 G A -0.2890
612 T A 0.0000
613 T A -0.0906
614 G A 0.0708
615 V A 1.6905
616 N A 0.1047
617 C A 0.0000
618 E A -0.6322
619 V A 0.8391
620 N A -0.1702
621 I A 0.8038
622 D A -1.7262
623 D A -1.2518
624 C A 0.0000
625 A A 0.0200
626 S A -0.4260
627 N A -1.3211
628 P A -0.2759
629 C A 0.1119
630 T A 0.1112
631 F A 0.9283
632 G A 0.3349
633 V A 1.6672
634 C A 0.0715
635 R A -1.9187
636 D A -0.7669
637 G A -0.2377
638 I A 0.4722
639 N A -1.4824
640 R A -1.9789
641 Y A -0.1617
642 D A -1.6852
643 C A 0.0000
644 V A 0.8004
645 C A 0.1227
646 Q A -0.9352
647 P A -0.4214
648 G A 0.0000
649 F A -0.0728
650 T A 0.0869
651 G A -0.2007
652 P A -0.1899
653 L A 0.4703
654 C A 0.0000
655 N A -1.0686
656 V A 0.6028
657 E A -1.3809
658 I A 0.5737
659 N A -1.1222
660 E A -0.5293
661 C A 0.1043
662 A A 0.0484
663 S A -0.2408
664 S A -0.2637
665 P A -0.0938
666 C A 0.0369
667 G A -0.4967
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1977 F A 0.0000
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1982 E A -1.7820
1983 G A -0.4501
1984 S A 0.0000
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1986 E A -1.3180
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1991 L A 0.0000
1992 L A 0.0000
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1994 H A -0.3127
1995 F A 1.8813
1996 A A 0.0000
1997 N A -0.5946
1998 R A -0.7629
1999 E A -1.8231
2000 I A -0.0089
2001 T A -0.1033
2002 D A 0.0000
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2006 R A -0.6873
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2008 P A 0.0000
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2010 D A -1.3547
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2657
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2016 L A 1.1311
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2018 Q A -1.3650
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2265 D A -1.5866
2266 W A 0.7719
2267 S A -0.2868
2268 E A -1.9043
2269 S A -0.6010
2270 T A -0.1725
2271 P A -0.3113
2272 S A -0.3085
2273 P A -0.2811
2274 A A -0.0171
2275 T A -0.0476
2276 A A 0.0280
2277 T A -0.1468
2278 G A -0.4650
2279 A A 0.1306
2280 M A 1.0784
2281 A A 0.3043
2282 T A -0.0764
2283 T A -0.1011
2284 T A -0.1763
2285 G A -0.4693
2286 A A 0.2597
2287 L A 1.5113
2288 P A 0.0427
2289 A A -0.2129
2290 Q A -1.2344
2291 P A -0.1896
2292 L A 1.4512
2293 P A 0.3295
2294 L A 1.4607
2295 S A 0.4013
2296 V A 1.6873
2297 P A 0.0298
2298 S A -0.3016
2299 S A 0.0240
2300 L A 1.5203
2301 A A 0.1293
2302 Q A -1.1771
2303 A A -0.3745
2304 Q A -1.2007
2305 T A -0.5079
2306 Q A -0.9281
2307 L A 1.2703
2308 G A -0.0766
2309 P A -0.5328
2310 Q A -1.2915
2311 P A -0.8065
2312 E A -1.5409
2313 V A 1.4253
2314 T A 0.2085
2315 P A -0.5790
2316 K A -2.0873
2317 R A -2.3829
2318 Q A -1.2121
2319 V A 1.8401
2320 L A 1.8931
2321 A A 0.3497
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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 0.0006 5.0392 View CSV PDB
4.5 -0.0318 5.0392 View CSV PDB
5.0 -0.0712 5.0392 View CSV PDB
5.5 -0.1118 5.0392 View CSV PDB
6.0 -0.1484 5.0392 View CSV PDB
6.5 -0.178 5.0392 View CSV PDB
7.0 -0.2006 5.0392 View CSV PDB
7.5 -0.2184 5.0392 View CSV PDB
8.0 -0.2329 5.0392 View CSV PDB
8.5 -0.2437 5.0392 View CSV PDB
9.0 -0.2496 5.0392 View CSV PDB