Project name: C185Y_5

Status: done

Started: 2026-05-18 05:14:28
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQYPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[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.  (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:08)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/ff7a0c2f16dd591/tmp/folded.pdb                (00:18:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:44:54)
Show buried residues

Minimal score value
-2.6072
Maximal score value
2.7299
Average score
-0.2783
Total score value
-646.0126

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 0.9383
2 G A -0.2552
3 P A -0.4295
4 G A -0.5023
5 A A -0.3685
6 R A -1.9205
7 G A -1.1392
8 R A -2.3525
9 R A -2.6072
10 R A -2.5302
11 R A -2.5328
12 R A -2.5253
13 R A -2.2310
14 P A -0.3956
15 M A 0.9679
16 S A -0.0650
17 P A -0.3387
18 P A -0.3461
19 P A -0.3463
20 P A -0.3464
21 P A -0.3463
22 P A -0.3464
23 P A 0.0232
24 V A 1.3935
25 R A -1.5135
26 A A -0.0002
27 L A 1.5124
28 P A 0.3122
29 L A 1.7831
30 L A 2.1174
31 L A 2.1226
32 L A 2.1203
33 L A 1.8431
34 A A 0.2643
35 G A -0.5022
36 P A -0.4273
37 G A -0.5031
38 A A -0.0170
39 A A 0.0802
40 A A 0.0444
41 P A -0.1520
42 P A -0.1403
43 C A 0.4000
44 L A 1.2457
45 D A -1.5910
46 G A -0.8299
47 S A -0.2732
48 P A -0.0879
49 C A 0.0000
50 A A -0.1327
51 N A -0.9375
52 G A -0.6221
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1258
57 Q A -0.4519
58 L A 0.5865
59 P A -0.1594
60 S A -0.5837
61 R A -2.2163
62 E A -2.1551
63 A A -0.3848
64 A A 0.0338
65 C A 0.2782
66 L A 1.0408
67 C A 0.4109
68 P A -0.0682
69 P A -0.2763
70 G A -0.0764
71 W A 0.0437
72 V A 0.2833
73 G A -0.3675
74 E A -2.1235
75 R A -1.9368
76 C A 0.0000
77 Q A -0.4426
78 L A -0.1720
79 E A -1.7841
80 D A -0.5769
81 P A -0.0666
82 C A -0.0823
83 H A -1.0099
84 S A -0.4344
85 G A -0.2751
86 P A -0.0998
87 C A 0.0000
88 A A 0.0101
89 G A 0.0000
90 R A -1.2475
91 G A 0.0000
92 V A 0.8479
93 C A 0.1004
94 Q A -0.9112
95 S A -0.1757
96 S A -0.0705
97 V A 1.0665
98 V A 1.8743
99 A A 0.2890
100 G A -0.4647
101 T A -0.1336
102 A A 0.0000
103 R A -1.6721
104 F A 0.2721
105 S A -0.0732
106 C A -0.2846
107 R A -1.7864
108 C A -0.1317
109 P A -0.2781
110 R A -1.5751
111 G A -0.3121
112 F A 0.2005
113 R A -0.3501
114 G A -0.2645
115 P A -0.3920
116 D A -0.6608
117 C A 0.0000
118 S A -0.0666
119 L A 0.6442
120 P A -0.1460
121 D A -0.4155
122 P A -0.1013
123 C A 0.1776
124 L A 0.3977
125 S A -0.1750
126 S A -0.2592
127 P A -0.0697
128 C A 0.0699
129 A A -0.1221
130 H A -0.8866
131 G A -0.6105
132 A A -0.3943
133 R A -1.8036
134 C A -0.1604
135 S A -0.0627
136 V A 0.5992
137 G A 0.0158
138 P A -0.4829
139 D A -1.2710
140 G A -0.6623
141 R A -1.7941
142 F A 0.3058
143 L A 1.1230
144 C A 0.2675
145 S A -0.1536
146 C A 0.1792
147 P A -0.0722
148 P A -0.2762
149 G A -0.0768
150 Y A -0.1301
151 Q A -1.2515
152 G A -0.9749
153 R A -1.6470
154 S A -0.3155
155 C A 0.0000
156 R A -1.8729
157 S A -0.6156
158 D A -0.5789
159 V A 0.1859
160 D A -0.2927
161 E A -0.3665
162 C A -0.2658
163 R A -1.4986
164 V A 1.3842
165 G A -0.2939
166 E A -1.8801
167 P A -0.3716
168 C A 0.0000
169 R A -1.6921
170 H A -1.2559
171 G A -0.6367
172 G A 0.0063
173 T A -0.0494
174 C A 0.2734
175 L A 0.7713
176 N A -0.2757
177 T A -0.0886
178 P A -0.2706
179 G A -0.1584
180 S A -0.0566
181 F A 0.0992
182 R A -1.7456
183 C A 0.0000
184 Q A -0.9549
185 Y A 1.0700
186 P A 0.1641
187 A A 0.0062
188 G A -0.1243
189 Y A 0.2666
190 T A 0.0194
191 G A -0.1740
192 P A -0.1986
193 L A 0.3979
194 C A 0.0000
195 E A -0.8698
196 N A -1.2639
197 P A -0.4038
198 A A 0.3200
199 V A 1.7116
200 P A 0.0000
201 C A 0.1416
202 A A -0.0009
203 P A -0.2671
204 S A -0.1790
205 P A -0.0677
206 C A -0.2792
207 R A -1.8543
208 N A -1.2292
209 G A -0.6239
210 G A -0.1142
211 T A -0.0600
212 C A -0.2424
213 R A -2.0501
214 Q A -1.5177
215 S A -0.4097
216 G A -0.5425
217 D A -1.5418
218 L A 1.2142
219 T A 0.2852
220 Y A -0.1039
221 D A -1.7071
222 C A 0.0000
223 A A 0.0737
224 C A 0.4137
225 L A 0.9561
226 P A -0.0910
227 G A -0.2469
228 F A -0.2493
229 E A -1.8044
230 G A -0.6990
231 Q A -1.2599
232 N A -0.4022
233 C A 0.0000
234 E A -0.4772
235 V A 0.7320
236 N A -0.5870
237 V A 0.4934
238 D A -1.7592
239 D A -1.1825
240 C A -0.1214
241 P A -0.3259
242 G A -0.5954
243 H A -0.8712
244 R A -1.9260
245 C A 0.0000
246 L A 1.2126
247 N A -0.6373
248 G A -0.6115
249 G A 0.0000
250 T A -0.0543
251 C A 0.2822
252 V A 1.0069
253 D A -0.2341
254 G A 0.1610
255 V A 1.5222
256 N A -0.9697
257 T A -0.2356
258 Y A -0.0621
259 N A -1.2107
260 C A -0.3607
261 Q A -1.1513
262 C A -0.0691
263 P A -0.0713
264 P A -0.3561
265 E A -0.5208
266 W A 0.0150
267 T A -0.2605
268 G A -0.5875
269 Q A -1.2093
270 F A 0.0892
271 C A 0.0000
272 T A -0.4031
273 E A -1.8864
274 D A -0.5894
275 V A 0.0000
276 D A -1.4588
277 E A -0.3112
278 C A -0.1161
279 Q A -0.8906
280 L A 1.0974
281 Q A -0.9006
282 P A -0.6915
283 N A -1.3181
284 A A -0.2239
285 C A 0.0000
286 H A -0.8815
287 N A -0.9759
288 G A -0.6140
289 G A -0.1309
290 T A -0.0450
291 C A 0.4828
292 F A 1.8558
293 N A -0.2203
294 T A 0.1036
295 L A 1.5100
296 G A 0.1209
297 G A -0.1383
298 H A -0.4191
299 S A -0.2286
300 C A 0.3891
301 V A 1.8221
302 C A 0.6984
303 V A 0.8422
304 N A -1.0818
305 G A 0.0000
306 W A 0.1170
307 T A -0.0342
308 G A -0.5149
309 E A -1.8620
310 S A -0.3853
311 C A 0.0000
312 S A -0.3110
313 Q A -1.3041
314 N A -0.6096
315 I A 0.0208
316 D A -1.4287
317 D A -0.8053
318 C A 0.0204
319 A A 0.0715
320 T A -0.0278
321 A A 0.0995
322 V A 0.4758
323 C A 0.2330
324 F A 0.1217
325 H A -0.5284
326 G A -0.5525
327 A A -0.0806
328 T A -0.0391
329 C A 0.0817
330 H A -0.4400
331 D A -1.2042
332 R A -1.8006
333 V A 0.7958
334 A A 0.2091
335 S A -0.2468
336 F A 0.3012
337 Y A 0.8312
338 C A 0.0000
339 A A 0.0231
340 C A 0.0779
341 P A -0.0362
342 M A 0.1577
343 G A -0.2050
344 K A -0.7606
345 T A -0.1084
346 G A 0.0353
347 L A 0.7121
348 L A 0.0000
349 C A 0.0000
350 H A -0.0882
351 L A -0.1947
352 D A -1.8910
353 D A -0.7829
354 A A -0.0458
355 C A 0.2975
356 V A 1.1392
357 S A -0.2291
358 N A -1.3325
359 P A -0.3315
360 C A -0.0141
361 H A -0.7580
362 E A -2.2261
363 D A -2.1190
364 A A 0.0754
365 I A 2.0333
366 C A 0.1965
367 D A -1.6386
368 T A 0.0000
369 N A -0.3096
370 P A -0.0886
371 V A 0.6847
372 N A -1.1128
373 G A -0.6660
374 R A -1.8578
375 A A 0.0000
376 I A 1.0823
377 C A 0.3176
378 T A 0.1838
379 C A 0.1780
380 P A -0.0403
381 P A -0.2695
382 G A -0.0265
383 F A 0.2097
384 T A -0.1627
385 G A -0.4044
386 G A -0.5206
387 A A -0.0563
388 C A 0.0000
389 D A -2.0083
390 Q A -1.6078
391 D A -0.5504
392 V A 0.0679
393 D A -0.9767
394 E A -0.3880
395 C A 0.0204
396 S A 0.1712
397 I A 1.8873
398 G A -0.0818
399 A A -0.2255
400 N A -1.0723
401 P A -0.2240
402 C A 0.0000
403 E A -1.4134
404 H A -0.5584
405 L A 1.4391
406 G A 0.0000
407 R A -1.9684
408 C A 0.0000
409 V A 0.5624
410 N A -0.1734
411 T A -0.2530
412 Q A -1.2186
413 G A -0.3366
414 S A -0.0546
415 F A 0.7425
416 L A 1.3360
417 C A 0.0740
418 Q A -1.3326
419 C A -0.0416
420 G A -0.5811
421 R A -1.8966
422 G A 0.0000
423 Y A -0.0259
424 T A -0.0391
425 G A -0.2047
426 P A -0.5215
427 R A -1.3875
428 C A 0.0000
429 E A -1.1170
430 T A -0.5342
431 D A -1.4531
432 V A 0.1700
433 N A -0.6024
434 E A -0.6840
435 C A 0.2762
436 L A 1.5281
437 S A -0.0156
438 G A -0.5113
439 P A -0.1035
440 C A -0.1597
441 R A -1.9526
442 N A -1.2321
443 Q A -1.3190
444 A A -0.1996
445 T A -0.0432
446 C A 0.2692
447 L A 0.5990
448 D A -0.8167
449 R A -1.0631
450 I A 1.5899
451 G A 0.0000
452 Q A -1.0625
453 F A 0.0657
454 T A 0.0547
455 C A 0.4554
456 I A 2.0651
457 C A 0.6876
458 M A 0.6049
459 A A 0.1530
460 G A -0.2378
461 F A -0.0354
462 T A -0.0486
463 G A -0.2686
464 T A 0.0225
465 Y A 0.7589
466 C A 0.0000
467 E A -0.5481
468 V A 0.7090
469 D A -1.3984
470 I A 0.1401
471 D A -1.8016
472 E A -1.1747
473 C A -0.2694
474 Q A -1.2192
475 S A -0.4693
476 S A -0.2585
477 P A -0.0660
478 C A 0.2520
479 V A 0.8728
480 N A -0.8316
481 G A -0.6452
482 G A 0.2030
483 V A 1.7880
484 C A 0.2240
485 K A -1.6992
486 D A -2.2988
487 R A -1.7796
488 V A 1.2039
489 N A -0.9773
490 G A -0.2227
491 F A 0.1823
492 S A 0.0947
493 C A 0.1004
494 T A 0.0000
495 C A 0.1470
496 P A -0.1108
497 S A -0.2418
498 G A -0.3412
499 F A 0.0348
500 S A 0.0325
501 G A -0.3867
502 S A -0.2755
503 T A -0.0416
504 C A 0.0000
505 Q A -0.9692
506 L A 0.6965
507 D A -1.3863
508 V A 0.0724
509 D A -1.7184
510 E A -0.6611
511 C A 0.0443
512 A A 0.0374
513 S A -0.2149
514 T A -0.1154
515 P A -0.0495
516 C A 0.0000
517 R A -1.8348
518 N A -1.3774
519 G A -0.6413
520 A A -0.3562
521 K A -1.6855
522 C A -0.1415
523 V A 0.2339
524 D A -1.5754
525 Q A -1.3030
526 P A -0.7519
527 D A -1.8642
528 G A -0.4147
529 Y A 0.1552
530 E A -1.3381
531 C A -0.5142
532 R A -1.7818
533 C A -0.0819
534 A A -0.2615
535 E A -1.8273
536 G A -0.3449
537 F A -0.0433
538 E A -1.1496
539 G A -0.5487
540 T A -0.0558
541 L A 0.4036
542 C A 0.0000
543 D A -1.8623
544 R A -2.2101
545 N A -0.6596
546 V A 0.3707
547 D A -1.7864
548 D A -1.0687
549 C A -0.2569
550 S A -0.2614
551 P A -0.6296
552 D A -1.8270
553 P A -0.3404
554 C A -0.2408
555 H A -1.0643
556 H A -0.6831
557 G A -0.5118
558 R A -1.8479
559 C A -0.0439
560 V A 0.7370
561 D A -1.5435
562 G A -0.1190
563 I A 1.9916
564 A A 0.3569
565 S A -0.0603
566 F A 0.3492
567 S A -0.0790
568 C A 0.0722
569 A A -0.0778
570 C A 0.2690
571 A A 0.0322
572 P A -0.2637
573 G A -0.2946
574 Y A 0.0286
575 T A -0.0482
576 G A -0.2685
577 T A -0.3068
578 R A -1.0712
579 C A 0.0000
580 E A -1.6152
581 S A -0.6008
582 Q A -1.0889
583 V A 0.1713
584 D A -1.0057
585 E A -1.0244
586 C A 0.0000
587 R A -1.8831
588 S A -0.7629
589 Q A -1.2429
590 P A -0.2440
591 C A -0.3119
592 R A -1.9130
593 H A -0.8681
594 G A -0.5549
595 G A -0.4041
596 K A -1.7092
597 C A 0.0000
598 L A 0.1861
599 D A -1.5224
600 L A 0.6083
601 V A 1.5895
602 D A -1.7810
603 K A -1.8895
604 Y A -0.0999
605 L A 0.8823
606 C A -0.1057
607 R A -1.7807
608 C A -0.0883
609 P A -0.0907
610 S A -0.2480
611 G A -0.2704
612 T A 0.0000
613 T A -0.0927
614 G A 0.0749
615 V A 1.6773
616 N A 0.0423
617 C A 0.0000
618 E A -0.3159
619 V A 0.9370
620 N A -0.3103
621 I A 0.8013
622 D A -1.7039
623 D A -1.1415
624 C A 0.0000
625 A A 0.0212
626 S A -0.4259
627 N A -1.3217
628 P A -0.2767
629 C A 0.1244
630 T A 0.1404
631 F A 1.0881
632 G A 0.4454
633 V A 1.7666
634 C A 0.1030
635 R A -1.9214
636 D A -0.8136
637 G A -0.2821
638 I A 0.5998
639 N A -1.4537
640 R A -2.0038
641 Y A -0.1677
642 D A -1.1848
643 C A 0.0189
644 V A 0.8621
645 C A 0.1872
646 Q A -0.5519
647 P A -0.5237
648 G A -0.2294
649 F A -0.0013
650 T A -0.0134
651 G A -0.2080
652 P A -0.1698
653 L A 0.5945
654 C A 0.0000
655 N A -0.9869
656 V A 1.0726
657 E A -1.2954
658 I A 0.5657
659 N A -1.1277
660 E A -0.5432
661 C A 0.0891
662 A A 0.0456
663 S A -0.2405
664 S A -0.2619
665 P A -0.0856
666 C A 0.0311
667 G A -0.4944
668 E A -1.9373
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1950 N A -0.3015
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1952 V A 0.0705
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1954 A A 0.0000
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1956 L A 0.6428
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1967 M A -0.0567
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1971 K A -0.8534
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1973 E A 0.0000
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
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1980 A A 0.0000
1981 R A -0.7103
1982 E A -1.6481
1983 G A -0.4405
1984 S A 0.0000
1985 Y A 0.2597
1986 E A -1.1310
1987 A A 0.0000
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1989 K A -0.9057
1990 L A -0.1195
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8083
1994 H A -0.3565
1995 F A 1.0873
1996 A A 0.0000
1997 N A -0.7220
1998 R A -0.7692
1999 E A -1.8203
2000 I A -0.0129
2001 T A -0.1410
2002 D A 0.0000
2003 H A -0.7141
2004 L A 1.0505
2005 D A -1.5849
2006 R A -0.6425
2007 L A 0.3318
2008 P A 0.0000
2009 R A -1.0660
2010 D A -1.0071
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2134
2015 R A -1.4851
2016 L A 1.1763
2017 H A -0.1292
2018 Q A -1.4867
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2269 S A -0.5717
2270 T A -0.1552
2271 P A -0.3066
2272 S A -0.3049
2273 P A -0.2823
2274 A A -0.0007
2275 T A -0.0497
2276 A A 0.0329
2277 T A -0.1500
2278 G A -0.4687
2279 A A 0.1760
2280 M A 1.0766
2281 A A 0.2566
2282 T A -0.0736
2283 T A -0.0979
2284 T A -0.1747
2285 G A -0.4691
2286 A A 0.2606
2287 L A 1.5107
2288 P A 0.0471
2289 A A -0.2153
2290 Q A -1.2333
2291 P A -0.1920
2292 L A 1.4503
2293 P A 0.3396
2294 L A 1.4626
2295 S A 0.4856
2296 V A 1.6726
2297 P A 0.0531
2298 S A -0.3134
2299 S A 0.0453
2300 L A 1.5165
2301 A A 0.0803
2302 Q A -1.1729
2303 A A -0.4070
2304 Q A -1.2041
2305 T A -0.5793
2306 Q A -0.8951
2307 L A 1.2157
2308 G A -0.2242
2309 P A -0.5713
2310 Q A -1.3024
2311 P A -0.8704
2312 E A -1.5362
2313 V A 1.4162
2314 T A 0.2203
2315 P A -0.5824
2316 K A -2.1999
2317 R A -2.4988
2318 Q A -1.2232
2319 V A 1.9010
2320 L A 1.9684
2321 A A 0.3425
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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 -0.0061 4.9167 View CSV PDB
4.5 -0.0387 4.9167 View CSV PDB
5.0 -0.0779 4.9167 View CSV PDB
5.5 -0.1181 4.9167 View CSV PDB
6.0 -0.1543 4.9167 View CSV PDB
6.5 -0.1835 4.9167 View CSV PDB
7.0 -0.2055 4.9167 View CSV PDB
7.5 -0.2228 4.9167 View CSV PDB
8.0 -0.237 4.9167 View CSV PDB
8.5 -0.2476 4.9167 View CSV PDB
9.0 -0.2532 4.9167 View CSV PDB