Project name: R985C_5

Status: done

Started: 2026-05-22 01:16:09
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFCCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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.  (00:00:51)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:51)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:39:14)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/a3611ad14714c18/tmp/folded.pdb                (00:39:14)
[INFO]       Main:     Simulation completed successfully.                                          (01:26:31)
Show buried residues

Minimal score value
-2.6313
Maximal score value
2.2621
Average score
-0.276
Total score value
-640.5126

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 -0.3193
3 P A -0.4310
4 G A -0.5042
5 A A -0.4370
6 R A -1.9179
7 G A -1.1476
8 R A -2.2969
9 R A -2.5593
10 R A -2.5256
11 R A -2.6204
12 R A -2.6313
13 R A -2.2382
14 P A -0.4174
15 M A 0.9662
16 S A -0.0633
17 P A -0.3457
18 P A -0.3529
19 P A -0.3474
20 P A -0.3524
21 P A -0.3520
22 P A -0.3467
23 P A 0.0447
24 V A 1.3850
25 R A -1.5084
26 A A 0.0088
27 L A 1.5118
28 P A 0.3196
29 L A 1.7886
30 L A 2.1249
31 L A 2.1241
32 L A 2.1242
33 L A 1.8471
34 A A 0.2616
35 G A -0.5021
36 P A -0.4265
37 G A -0.5027
38 A A -0.0173
39 A A 0.0801
40 A A 0.0481
41 P A -0.1138
42 P A -0.0466
43 C A 0.3620
44 L A 1.2377
45 D A -1.5905
46 G A -0.7978
47 S A -0.1926
48 P A -0.2500
49 C A -0.0310
50 A A -0.1351
51 N A -0.9890
52 G A -0.6404
53 G A -0.4407
54 R A -1.7183
55 C A 0.3838
56 T A -0.1092
57 Q A -1.0979
58 L A 0.2969
59 P A -0.1836
60 S A -0.5378
61 R A -2.2090
62 E A -2.1600
63 A A 0.0000
64 A A 0.0123
65 C A 0.0000
66 L A 1.1045
67 C A 0.3963
68 P A -0.0784
69 P A -0.2822
70 G A -0.0796
71 W A 0.1695
72 V A 0.3029
73 G A -0.3605
74 E A -1.9396
75 R A -0.9131
76 C A 0.0000
77 Q A -0.4597
78 L A -0.1924
79 E A -1.7730
80 D A -0.5806
81 P A -0.0678
82 C A -0.0767
83 H A -1.0092
84 S A -0.4760
85 G A -0.5158
86 P A -0.1336
87 C A -0.0023
88 A A -0.0071
89 G A -0.5958
90 R A -1.9042
91 G A -0.0477
92 V A 1.7891
93 C A 0.3209
94 Q A -0.9019
95 S A -0.1412
96 S A -0.0536
97 V A 0.8242
98 V A 1.7353
99 A A 0.2714
100 G A -0.4648
101 T A -0.1342
102 A A 0.0000
103 R A -1.6346
104 F A 0.2439
105 S A -0.0825
106 C A -0.2830
107 R A -1.7877
108 C A -0.1450
109 P A -0.3668
110 R A -1.8679
111 G A -0.2432
112 F A 0.8573
113 R A -0.2289
114 G A -0.2552
115 P A -0.3978
116 D A -0.6944
117 C A 0.0000
118 S A -0.0658
119 L A 0.7138
120 P A -0.0194
121 D A -0.1875
122 P A -0.0609
123 C A 0.2395
124 L A 0.9328
125 S A -0.0762
126 S A -0.2591
127 P A -0.0692
128 C A 0.0722
129 A A -0.1246
130 H A -0.9193
131 G A -0.6153
132 A A -0.3988
133 R A -1.8288
134 C A -0.2932
135 S A -0.0406
136 V A 0.6485
137 G A 0.0000
138 P A -0.5783
139 D A -1.8484
140 G A -0.7186
141 R A -1.7704
142 F A 0.2936
143 L A 1.6104
144 C A 0.3321
145 S A -0.1662
146 C A 0.1237
147 P A -0.0830
148 P A -0.2786
149 G A -0.0585
150 Y A -0.1835
151 Q A -1.2595
152 G A -1.0327
153 R A -1.9347
154 S A -0.3443
155 C A 0.0000
156 R A -1.8836
157 S A -0.6985
158 D A -0.7224
159 V A 0.1572
160 D A -0.3862
161 E A -0.8366
162 C A -0.3506
163 R A -1.4983
164 V A 1.3848
165 G A -0.2883
166 E A -1.8783
167 P A -0.3664
168 C A 0.0000
169 R A -1.7969
170 H A -1.2210
171 G A -0.6276
172 G A -0.1274
173 T A -0.0583
174 C A 0.2386
175 L A 0.5320
176 N A -0.4002
177 T A -0.1141
178 P A -0.2692
179 G A -0.1561
180 S A -0.0963
181 F A -0.0643
182 R A -1.7558
183 C A -0.4584
184 Q A -1.1400
185 C A -0.0259
186 P A -0.0550
187 A A 0.0234
188 G A -0.0009
189 Y A 0.3373
190 T A 0.0162
191 G A -0.2229
192 P A -0.2083
193 L A 0.3910
194 C A 0.0000
195 E A -1.0992
196 N A -1.3969
197 P A -0.4118
198 A A 0.3173
199 V A 1.6712
200 P A 0.3074
201 C A 0.1371
202 A A -0.0044
203 P A -0.2665
204 S A -0.1762
205 P A -0.0570
206 C A -0.3124
207 R A -2.0021
208 N A -1.3566
209 G A -0.6428
210 G A -0.1153
211 T A -0.0609
212 C A -0.2482
213 R A -2.0513
214 Q A -1.5418
215 S A -0.4234
216 G A -0.5250
217 D A -1.6217
218 L A 0.7595
219 T A 0.1735
220 Y A -0.2544
221 D A -1.7350
222 C A 0.0000
223 A A 0.0732
224 C A 0.3871
225 L A 0.8859
226 P A -0.1019
227 G A -0.2824
228 F A -0.1696
229 E A -1.8124
230 G A -0.7434
231 Q A -1.2868
232 N A -0.5094
233 C A 0.0000
234 E A -1.2370
235 V A 0.7600
236 N A -0.0530
237 V A 0.3314
238 D A -1.7428
239 D A -0.8147
240 C A -0.0458
241 P A -0.3244
242 G A -0.5987
243 H A -0.8928
244 R A -1.9301
245 C A 0.0000
246 L A 1.2429
247 N A -0.6234
248 G A -0.6174
249 G A -0.1194
250 T A -0.0620
251 C A 0.2899
252 V A 0.9845
253 D A -0.4816
254 G A 0.0978
255 V A 1.5284
256 N A -0.9220
257 T A -0.2510
258 Y A -0.1193
259 N A -1.2156
260 C A -0.3659
261 Q A -1.1506
262 C A -0.0654
263 P A -0.0726
264 P A -0.3762
265 E A -0.6290
266 W A -0.0099
267 T A -0.0606
268 G A -0.5250
269 Q A -1.1963
270 F A 0.1013
271 C A 0.0000
272 T A -0.4057
273 E A -1.9034
274 D A -0.6690
275 V A -0.0790
276 D A -0.9969
277 E A -0.3300
278 C A -0.1621
279 Q A -0.8959
280 L A 1.0768
281 Q A -0.9616
282 P A -0.7002
283 N A -1.3177
284 A A -0.2215
285 C A 0.0000
286 H A -1.0311
287 N A -0.9867
288 G A -0.6096
289 G A -0.1275
290 T A -0.0471
291 C A 0.4647
292 F A 1.7684
293 N A -0.2386
294 T A 0.0864
295 L A 1.5063
296 G A 0.1032
297 G A -0.1898
298 H A -0.5179
299 S A -0.2472
300 C A 0.4012
301 V A 1.8251
302 C A 0.6123
303 V A 0.3678
304 N A -1.1694
305 G A 0.0000
306 W A 0.1225
307 T A -0.0389
308 G A -0.5605
309 E A -1.8731
310 S A -0.3957
311 C A 0.0000
312 S A -0.4317
313 Q A -1.3051
314 N A -0.4013
315 I A 0.5147
316 D A -1.7075
317 D A -0.7769
318 C A 0.0499
319 A A 0.0681
320 T A -0.0585
321 A A 0.3270
322 V A 1.7408
323 C A 0.6433
324 F A 0.8317
325 H A -0.8941
326 G A -0.6435
327 A A -0.0614
328 T A -0.0374
329 C A 0.0887
330 H A -0.4286
331 D A -0.7506
332 R A -1.6377
333 V A -0.0064
334 A A 0.0600
335 S A -0.2128
336 F A 0.2879
337 Y A 1.0976
338 C A 0.0000
339 A A 0.0753
340 C A 0.2556
341 P A 0.1470
342 M A 1.0168
343 G A -0.0648
344 K A -0.9104
345 T A -0.1345
346 G A 0.1970
347 L A 1.5891
348 L A 0.5890
349 C A 0.0000
350 H A -0.3901
351 L A -0.1742
352 D A -1.8950
353 D A -0.7889
354 A A -0.0424
355 C A 0.4087
356 V A 1.7500
357 S A -0.1175
358 N A -1.3333
359 P A -0.3400
360 C A 0.0066
361 H A -0.6215
362 E A -2.1981
363 D A -2.1163
364 A A 0.0745
365 I A 2.0418
366 C A 0.1960
367 D A -1.7617
368 T A 0.0000
369 N A 0.0000
370 P A 0.1997
371 V A 1.6097
372 N A -0.4906
373 G A -0.5795
374 R A -1.8632
375 A A 0.0000
376 I A 0.4065
377 C A 0.0000
378 T A -0.0267
379 C A 0.1706
380 P A -0.0377
381 P A -0.2677
382 G A -0.0204
383 F A 0.2141
384 T A -0.0398
385 G A -0.4399
386 G A -0.5255
387 A A -0.0466
388 C A 0.0000
389 D A -2.0059
390 Q A -1.5822
391 D A -0.4536
392 V A 0.0664
393 D A -1.1242
394 E A -0.5118
395 C A 0.0800
396 S A -0.0518
397 I A 0.5856
398 G A -0.5481
399 A A -0.2297
400 N A -1.1015
401 P A -0.2332
402 C A 0.0000
403 E A -1.4009
404 H A -0.5652
405 L A 1.4379
406 G A 0.0000
407 R A -1.9703
408 C A 0.0000
409 V A 0.5559
410 N A -0.2110
411 T A -0.2600
412 Q A -1.2165
413 G A -0.3233
414 S A -0.0511
415 F A 0.7374
416 L A 1.3352
417 C A 0.0742
418 Q A -1.3358
419 C A -0.0423
420 G A -0.5817
421 R A -1.8966
422 G A 0.0000
423 Y A 0.0734
424 T A -0.0380
425 G A -0.1802
426 P A -0.5072
427 R A -1.3327
428 C A 0.0000
429 E A -0.6941
430 T A 0.0000
431 D A -0.4422
432 V A 0.5744
433 N A -0.0518
434 E A -0.3624
435 C A 0.0000
436 L A 0.9145
437 S A -0.1228
438 G A -0.5118
439 P A -0.1069
440 C A -0.1480
441 R A -1.9462
442 N A -1.1977
443 Q A -1.3127
444 A A -0.2032
445 T A -0.0696
446 C A 0.0000
447 L A 0.0000
448 D A 0.0000
449 R A -1.5300
450 I A 1.3423
451 G A 0.0000
452 Q A -1.1202
453 F A 0.1967
454 T A 0.0604
455 C A 0.0000
456 I A 1.2567
457 C A 0.5224
458 M A 0.5817
459 A A 0.1571
460 G A 0.0000
461 F A 0.0000
462 T A -0.0831
463 G A -0.2501
464 T A 0.0443
465 Y A 0.8651
466 C A 0.0000
467 E A -0.4202
468 V A 0.7251
469 D A -1.3926
470 I A 0.3053
471 D A -1.4333
472 E A -0.6665
473 C A -0.2003
474 Q A -1.2210
475 S A -0.4686
476 S A -0.2590
477 P A -0.0700
478 C A 0.2516
479 V A 0.8953
480 N A -0.7855
481 G A -0.6382
482 G A 0.2021
483 V A 1.7856
484 C A 0.2197
485 K A -1.6710
486 D A -2.2786
487 R A -1.8522
488 V A 1.1469
489 N A -0.9794
490 G A -0.2018
491 F A 0.5233
492 S A 0.1220
493 C A 0.1004
494 T A 0.0046
495 C A 0.1354
496 P A -0.1056
497 S A -0.2309
498 G A 0.0000
499 F A -0.0001
500 S A 0.0194
501 G A -0.4109
502 S A -0.2797
503 T A -0.0432
504 C A 0.0000
505 Q A -0.9612
506 L A 0.7520
507 D A -1.4006
508 V A -0.0287
509 D A -1.8185
510 E A -1.1045
511 C A -0.0372
512 A A 0.0374
513 S A -0.2150
514 T A -0.1144
515 P A -0.0431
516 C A 0.0000
517 R A -1.5671
518 N A -1.3695
519 G A -0.6497
520 A A -0.3552
521 K A -1.6988
522 C A 0.0000
523 V A 0.2228
524 D A -1.6640
525 Q A -1.2831
526 P A -0.7464
527 D A -1.8547
528 G A -0.3451
529 Y A 0.0372
530 E A -1.0649
531 C A -0.4798
532 R A -1.7831
533 C A -0.0875
534 A A -0.2613
535 E A -1.8263
536 G A -0.3358
537 F A -0.0841
538 E A -1.7108
539 G A -0.7829
540 T A -0.0852
541 L A 0.3764
542 C A 0.0000
543 D A -2.1168
544 R A -2.1842
545 N A -0.4479
546 V A 0.3306
547 D A -1.0365
548 D A -0.7972
549 C A -0.2437
550 S A -0.4431
551 P A -0.6323
552 D A -1.8468
553 P A -0.3489
554 C A 0.0000
555 H A -1.0726
556 H A -0.6568
557 G A -0.4913
558 R A -1.8600
559 C A 0.0000
560 V A 1.5908
561 D A -0.6379
562 G A 0.0045
563 I A 1.9902
564 A A 0.3541
565 S A -0.0838
566 F A 0.3494
567 S A -0.0947
568 C A 0.0672
569 A A -0.0783
570 C A 0.2416
571 A A 0.0121
572 P A -0.2589
573 G A -0.3246
574 Y A 0.0502
575 T A -0.0633
576 G A -0.3017
577 T A -0.3055
578 R A -1.0415
579 C A 0.0000
580 E A -1.8165
581 S A -0.6468
582 Q A -0.8706
583 V A 0.3724
584 D A -1.2489
585 E A -0.5546
586 C A -0.2914
587 R A -1.8648
588 S A -0.7630
589 Q A -1.2416
590 P A -0.2312
591 C A -0.3025
592 R A -1.9450
593 H A -1.0450
594 G A -0.5875
595 G A -0.4126
596 K A -1.6961
597 C A -0.1745
598 L A -0.0142
599 D A -1.5012
600 L A 0.8928
601 V A 1.5079
602 D A -1.8099
603 K A -1.8500
604 Y A -0.0050
605 L A 1.1942
606 C A 0.0000
607 R A -1.7978
608 C A -0.0990
609 P A -0.0933
610 S A -0.2452
611 G A -0.2852
612 T A 0.0000
613 T A -0.0857
614 G A 0.0927
615 V A 1.6907
616 N A 0.1007
617 C A 0.0000
618 E A -0.6367
619 V A 0.8593
620 N A -0.2949
621 I A 0.6116
622 D A -1.7362
623 D A -1.1056
624 C A -0.0604
625 A A 0.0334
626 S A -0.4282
627 N A -1.3196
628 P A -0.2636
629 C A 0.1530
630 T A 0.1523
631 F A 1.1375
632 G A 0.2447
633 V A 1.0212
634 C A 0.0000
635 R A -1.9374
636 D A -0.8045
637 G A -0.2619
638 I A 0.6712
639 N A -1.4458
640 R A -2.0007
641 Y A -0.2381
642 D A -1.6794
643 C A 0.0552
644 V A 1.5815
645 C A 0.2616
646 Q A -0.9683
647 P A -0.4377
648 G A -0.1301
649 F A -0.0777
650 T A -0.0333
651 G A -0.2111
652 P A -0.1317
653 L A 0.8044
654 C A 0.0000
655 N A -0.9559
656 V A 1.2180
657 E A -1.2607
658 I A 0.5999
659 N A -1.1158
660 E A -0.5263
661 C A 0.0896
662 A A 0.0450
663 S A -0.2407
664 S A -0.2610
665 P A -0.0758
666 C A 0.0506
667 G A -0.4968
668 E A -1.9380
669 G A -0.8128
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1950 N A -0.2833
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1953 E A -1.7279
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5945
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1962 G A -0.6667
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1967 M A -0.0797
1968 Q A -0.6705
1969 D A 0.0000
1970 S A -0.3814
1971 K A -1.2311
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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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1981 R A -0.6064
1982 E A -1.1638
1983 G A -0.3564
1984 S A 0.0000
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1986 E A -1.1618
1987 A A 0.0000
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1989 K A -0.9102
1990 L A -0.1411
1991 L A 0.0000
1992 L A -0.0563
1993 D A -1.7742
1994 H A -0.3903
1995 F A 0.7817
1996 A A 0.0000
1997 N A -0.8137
1998 R A -0.8047
1999 E A -1.8228
2000 I A -0.0126
2001 T A -0.1508
2002 D A 0.0000
2003 H A -0.6202
2004 L A 1.0648
2005 D A -1.5899
2006 R A -0.6876
2007 L A 0.2792
2008 P A 0.0000
2009 R A -1.1430
2010 D A -1.2249
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2775
2015 R A -1.7632
2016 L A 1.1209
2017 H A -0.1126
2018 Q A -1.4516
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2267 S A -0.2400
2268 E A -1.8801
2269 S A -0.5633
2270 T A -0.1555
2271 P A -0.3067
2272 S A -0.3055
2273 P A -0.2826
2274 A A -0.0007
2275 T A -0.0497
2276 A A 0.0328
2277 T A -0.1450
2278 G A -0.4685
2279 A A 0.1622
2280 M A 1.0749
2281 A A 0.2438
2282 T A -0.0736
2283 T A -0.0979
2284 T A -0.1709
2285 G A -0.4685
2286 A A 0.2745
2287 L A 1.5131
2288 P A 0.0357
2289 A A -0.2167
2290 Q A -1.2339
2291 P A -0.1847
2292 L A 1.4541
2293 P A 0.3086
2294 L A 1.4605
2295 S A 0.4128
2296 V A 1.6853
2297 P A 0.0359
2298 S A -0.3091
2299 S A 0.0168
2300 L A 1.5235
2301 A A 0.2000
2302 Q A -1.1754
2303 A A -0.4716
2304 Q A -1.1976
2305 T A -0.5255
2306 Q A -0.9117
2307 L A 1.2276
2308 G A -0.2281
2309 P A -0.5801
2310 Q A -1.2961
2311 P A -0.8428
2312 E A -1.5155
2313 V A 1.3961
2314 T A 0.2056
2315 P A -0.5806
2316 K A -2.1800
2317 R A -2.4679
2318 Q A -1.1432
2319 V A 1.8144
2320 L A 1.9170
2321 A A 0.3613
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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 -0.0011 4.6648 View CSV PDB
4.5 -0.0322 4.6648 View CSV PDB
5.0 -0.0702 4.6648 View CSV PDB
5.5 -0.1094 4.6648 View CSV PDB
6.0 -0.1447 4.6648 View CSV PDB
6.5 -0.1731 4.6648 View CSV PDB
7.0 -0.1945 4.6648 View CSV PDB
7.5 -0.2114 4.6648 View CSV PDB
8.0 -0.2251 4.6648 View CSV PDB
8.5 -0.2355 4.6648 View CSV PDB
9.0 -0.2411 4.6648 View CSV PDB