Project name: C194Y_5

Status: done

Started: 2026-06-02 01:53:41
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLYENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:20)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:20)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:22:20)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/b1a32e7eaba3123/tmp/folded.pdb                (00:22:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:54:09)
Show buried residues

Minimal score value
-2.6196
Maximal score value
2.6214
Average score
-0.2788
Total score value
-647.0088

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 0.9682
2 G A -0.3195
3 P A -0.4231
4 G A -0.5017
5 A A -0.3609
6 R A -1.9174
7 G A -1.1250
8 R A -2.2652
9 R A -2.6196
10 R A -2.6090
11 R A -2.5067
12 R A -2.5137
13 R A -2.2252
14 P A -0.3966
15 M A 0.9676
16 S A -0.0654
17 P A -0.3392
18 P A -0.3466
19 P A -0.3467
20 P A -0.3470
21 P A -0.3470
22 P A -0.3470
23 P A 0.0274
24 V A 1.3896
25 R A -1.5102
26 A A -0.0007
27 L A 1.5126
28 P A 0.3081
29 L A 1.7816
30 L A 2.1097
31 L A 2.1145
32 L A 2.1196
33 L A 1.8456
34 A A 0.2727
35 G A -0.5022
36 P A -0.4270
37 G A -0.5029
38 A A -0.0170
39 A A 0.0758
40 A A 0.0276
41 P A -0.1215
42 P A -0.1635
43 C A 0.3620
44 L A 1.2433
45 D A -1.5935
46 G A -0.8325
47 S A -0.3044
48 P A -0.1065
49 C A 0.0000
50 A A -0.1393
51 N A -0.9601
52 G A -0.6254
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1332
57 Q A -0.4932
58 L A 0.5984
59 P A -0.1536
60 S A -0.5701
61 R A -2.2132
62 E A -2.1545
63 A A -0.3933
64 A A 0.0326
65 C A 0.3791
66 L A 1.6092
67 C A 0.5168
68 P A -0.0674
69 P A -0.2773
70 G A -0.0785
71 W A 0.0731
72 V A 0.2898
73 G A -0.3674
74 E A -2.1440
75 R A -2.0499
76 C A 0.0000
77 Q A -0.4449
78 L A -0.1816
79 E A -1.7850
80 D A -0.5888
81 P A -0.0737
82 C A -0.0760
83 H A -1.0087
84 S A -0.4771
85 G A -0.5141
86 P A -0.1236
87 C A -0.0297
88 A A 0.0013
89 G A -0.5279
90 R A -1.8917
91 G A -0.0462
92 V A 1.7893
93 C A 0.3380
94 Q A -0.8026
95 S A -0.1390
96 S A 0.0066
97 V A 1.1128
98 V A 1.9330
99 A A 0.2991
100 G A -0.4649
101 T A -0.1345
102 A A 0.0000
103 R A -1.7465
104 F A 0.1288
105 S A -0.1000
106 C A -0.2756
107 R A -1.7826
108 C A -0.1191
109 P A -0.3358
110 R A -1.8609
111 G A -0.2428
112 F A 0.8265
113 R A -0.2201
114 G A -0.2765
115 P A -0.4476
116 D A -0.9412
117 C A 0.0000
118 S A -0.0521
119 L A 0.7919
120 P A -0.0152
121 D A -0.3128
122 P A -0.0695
123 C A 0.3104
124 L A 1.1608
125 S A -0.0361
126 S A -0.2595
127 P A -0.0716
128 C A 0.0710
129 A A -0.1158
130 H A -0.8493
131 G A -0.6029
132 A A -0.3939
133 R A -1.8026
134 C A -0.1572
135 S A -0.0360
136 V A 0.7326
137 G A 0.0445
138 P A -0.5878
139 D A -1.8455
140 G A -0.7088
141 R A -1.7913
142 F A 0.2298
143 L A 0.8300
144 C A 0.2181
145 S A -0.1521
146 C A 0.1833
147 P A -0.0754
148 P A -0.2770
149 G A -0.0798
150 Y A -0.1370
151 Q A -1.2555
152 G A -0.9675
153 R A -1.6073
154 S A -0.3103
155 C A 0.0000
156 R A -1.8836
157 S A -0.6528
158 D A -0.4874
159 V A 0.1281
160 D A -0.4479
161 E A -0.3840
162 C A -0.2666
163 R A -1.4973
164 V A 1.3805
165 G A -0.3014
166 E A -1.8826
167 P A -0.3776
168 C A 0.0000
169 R A -1.9854
170 H A -1.1973
171 G A -0.6157
172 G A -0.1325
173 T A -0.0601
174 C A 0.2342
175 L A 0.6577
176 N A -0.3574
177 T A -0.1024
178 P A -0.2695
179 G A -0.1534
180 S A -0.0681
181 F A 0.0318
182 R A -1.7546
183 C A 0.0000
184 Q A -1.1803
185 C A -0.1823
186 P A -0.2263
187 A A -0.0029
188 G A 0.0186
189 Y A 0.4072
190 T A 0.0621
191 G A -0.2001
192 P A -0.2192
193 L A 0.3972
194 Y A 0.2300
195 E A -0.7814
196 N A -1.4294
197 P A -0.4162
198 A A 0.3124
199 V A 1.5912
200 P A 0.0000
201 C A 0.1447
202 A A -0.0082
203 P A -0.2668
204 S A -0.1741
205 P A -0.0818
206 C A 0.0000
207 R A -1.9258
208 N A -1.2173
209 G A -0.6199
210 G A -0.1127
211 T A -0.0606
212 C A -0.2516
213 R A -2.0507
214 Q A -1.5160
215 S A -0.4074
216 G A -0.5391
217 D A -1.6010
218 L A 0.8774
219 T A 0.2291
220 Y A -0.0386
221 D A -1.5177
222 C A 0.0000
223 A A 0.0688
224 C A 0.4083
225 L A 0.9699
226 P A -0.0877
227 G A -0.2352
228 F A -0.1558
229 E A -1.8133
230 G A -0.7603
231 Q A -1.2814
232 N A -0.4677
233 C A 0.0000
234 E A -1.1057
235 V A 0.6980
236 N A -0.0121
237 V A 0.5789
238 D A -1.7597
239 D A -1.1491
240 C A -0.1087
241 P A -0.3244
242 G A -0.6002
243 H A -0.8991
244 R A -1.9310
245 C A 0.0000
246 L A 1.2037
247 N A -0.6513
248 G A -0.6210
249 G A -0.1150
250 T A -0.0623
251 C A 0.2405
252 V A 0.7282
253 D A -0.5223
254 G A 0.1296
255 V A 1.5239
256 N A -0.9655
257 T A -0.2383
258 Y A -0.0938
259 N A -1.2126
260 C A -0.3617
261 Q A -1.1466
262 C A -0.0425
263 P A -0.0644
264 P A -0.3874
265 E A -0.7001
266 W A -0.0198
267 T A -0.0662
268 G A -0.5592
269 Q A -1.2075
270 F A 0.0723
271 C A 0.0000
272 T A -0.4024
273 E A -1.8921
274 D A -0.6089
275 V A -0.1649
276 D A -1.5502
277 E A -0.3510
278 C A -0.1103
279 Q A -0.9066
280 L A 0.9957
281 Q A -0.9597
282 P A -0.6975
283 N A -1.3180
284 A A -0.2230
285 C A 0.0000
286 H A -0.8303
287 N A -0.9772
288 G A -0.6158
289 G A -0.1305
290 T A -0.0417
291 C A 0.4964
292 F A 1.8544
293 N A -0.2072
294 T A 0.0841
295 L A 1.5068
296 G A 0.1117
297 G A -0.1733
298 H A -0.5271
299 S A -0.2578
300 C A 0.4022
301 V A 1.8246
302 C A 0.6946
303 V A 0.8427
304 N A -1.0823
305 G A 0.0000
306 W A 0.1458
307 T A -0.0298
308 G A -0.5335
309 E A -1.8662
310 S A -0.3877
311 C A 0.0000
312 S A -0.4110
313 Q A -1.2980
314 N A -0.3837
315 I A 0.4905
316 D A -1.7060
317 D A -0.9014
318 C A 0.0137
319 A A 0.0658
320 T A -0.0587
321 A A 0.3353
322 V A 1.7947
323 C A 0.6495
324 F A 0.7902
325 H A -0.9013
326 G A -0.6444
327 A A -0.0580
328 T A -0.0374
329 C A 0.0537
330 H A -0.5785
331 D A -0.9959
332 R A -1.2510
333 V A 1.3430
334 A A 0.3187
335 S A -0.1036
336 F A 0.4995
337 Y A 1.0056
338 C A 0.2621
339 A A 0.0894
340 C A 0.2741
341 P A 0.1516
342 M A 1.0183
343 G A -0.0260
344 K A -0.7540
345 T A -0.1079
346 G A 0.1820
347 L A 1.5984
348 L A 0.6330
349 C A 0.0000
350 H A -0.3867
351 L A -0.1812
352 D A -1.8693
353 D A -0.7376
354 A A -0.0330
355 C A 0.3156
356 V A 1.2401
357 S A -0.2097
358 N A -1.3306
359 P A -0.3375
360 C A 0.0000
361 H A -0.5862
362 E A -2.1925
363 D A -2.1198
364 A A -0.1249
365 I A 1.0104
366 C A 0.1830
367 D A -0.7995
368 T A 0.0000
369 N A -0.1955
370 P A -0.0762
371 V A 1.0462
372 N A -0.2838
373 G A -0.4903
374 R A -1.8539
375 A A 0.0000
376 I A 0.2943
377 C A 0.0000
378 T A 0.0000
379 C A 0.1049
380 P A 0.0000
381 P A -0.1560
382 G A -0.0134
383 F A 0.1767
384 T A -0.0549
385 G A -0.4192
386 G A -0.5223
387 A A -0.0621
388 C A 0.0000
389 D A -2.0089
390 Q A -1.5828
391 D A -0.4491
392 V A 0.0178
393 D A -1.0024
394 E A -0.3740
395 C A 0.0511
396 S A 0.1618
397 I A 1.8535
398 G A 0.1090
399 A A 0.0161
400 N A -0.2751
401 P A -0.0819
402 C A 0.0000
403 E A -1.1825
404 H A -0.4435
405 L A 1.4530
406 G A 0.0000
407 R A -1.9684
408 C A 0.0000
409 V A 0.5755
410 N A -0.2153
411 T A -0.2778
412 Q A -1.2163
413 G A -0.3073
414 S A -0.0394
415 F A 0.7383
416 L A 1.5489
417 C A 0.1176
418 Q A -1.3329
419 C A -0.0491
420 G A -0.5802
421 R A -1.9052
422 G A -0.1335
423 Y A 0.0075
424 T A -0.0330
425 G A -0.1981
426 P A -0.4790
427 R A -1.1523
428 C A 0.0000
429 E A -1.2384
430 T A -0.5030
431 D A -1.1507
432 V A 0.1954
433 N A -0.7018
434 E A -0.8331
435 C A 0.2639
436 L A 1.5304
437 S A -0.0158
438 G A -0.5120
439 P A -0.1068
440 C A -0.1545
441 R A -1.9555
442 N A -1.2444
443 Q A -1.3211
444 A A -0.2001
445 T A -0.0433
446 C A 0.2124
447 L A 0.3596
448 D A -0.6605
449 R A -1.5498
450 I A 1.6656
451 G A 0.0000
452 Q A -1.1533
453 F A -0.0457
454 T A 0.0072
455 C A 0.2032
456 I A 0.7161
457 C A 0.4382
458 M A 0.6051
459 A A 0.1615
460 G A 0.0000
461 F A -0.0394
462 T A -0.0478
463 G A -0.2525
464 T A 0.0382
465 Y A 0.8294
466 C A 0.0000
467 E A -0.4165
468 V A 0.6860
469 D A -1.4087
470 I A 0.1723
471 D A -1.4281
472 E A -1.1618
473 C A -0.2895
474 Q A -1.2204
475 S A -0.4697
476 S A -0.2587
477 P A -0.0677
478 C A 0.1269
479 V A 0.2540
480 N A -0.6700
481 G A -0.5950
482 G A 0.2049
483 V A 1.7875
484 C A 0.2257
485 K A -1.6817
486 D A -2.2968
487 R A -1.8423
488 V A 1.2013
489 N A -0.9673
490 G A -0.2117
491 F A 0.3995
492 S A 0.0991
493 C A 0.1021
494 T A 0.0028
495 C A 0.1503
496 P A -0.1103
497 S A -0.2438
498 G A -0.3618
499 F A 0.0036
500 S A -0.1110
501 G A -0.4058
502 S A -0.2789
503 T A -0.0424
504 C A 0.0000
505 Q A -0.6911
506 L A 0.7320
507 D A -1.4094
508 V A -0.0122
509 D A -1.7563
510 E A -1.2942
511 C A -0.0782
512 A A 0.0363
513 S A -0.2148
514 T A -0.1158
515 P A -0.0525
516 C A 0.0000
517 R A -1.9129
518 N A -0.7973
519 G A -0.5328
520 A A -0.3593
521 K A -1.6836
522 C A -0.1246
523 V A 0.2181
524 D A -1.7734
525 Q A -1.2316
526 P A -0.7364
527 D A -1.8665
528 G A -0.3335
529 Y A 0.0607
530 E A -1.2554
531 C A -0.4988
532 R A -1.7824
533 C A -0.0903
534 A A -0.2623
535 E A -1.8265
536 G A -0.3302
537 F A -0.1764
538 E A -1.6889
539 G A -0.6863
540 T A -0.0120
541 L A 0.6846
542 C A 0.0000
543 D A -2.1193
544 R A -2.3669
545 N A -1.2729
546 V A 0.1666
547 D A -1.7779
548 D A -0.9311
549 C A -0.2169
550 S A -0.2599
551 P A -0.6314
552 D A -1.8206
553 P A 0.0000
554 C A 0.0000
555 H A -1.0690
556 H A -0.6434
557 G A -0.5190
558 R A -1.8531
559 C A 0.0380
560 V A 1.2197
561 D A -0.9911
562 G A -0.0359
563 I A 1.9927
564 A A 0.3632
565 S A 0.0103
566 F A 0.6735
567 S A -0.0292
568 C A 0.0815
569 A A 0.1098
570 C A 0.2915
571 A A 0.0350
572 P A -0.2690
573 G A -0.1068
574 Y A 0.0547
575 T A -0.0539
576 G A -0.2679
577 T A -0.3132
578 R A -1.1193
579 C A 0.0000
580 E A -1.4116
581 S A -0.5607
582 Q A -1.0155
583 V A 0.4662
584 D A -1.3309
585 E A -0.6566
586 C A 0.0000
587 R A -1.8835
588 S A -0.7661
589 Q A -1.2425
590 P A -0.2403
591 C A -0.3014
592 R A -1.9061
593 H A -0.8324
594 G A -0.5501
595 G A -0.4179
596 K A -1.7105
597 C A 0.0000
598 L A 0.0147
599 D A -1.5488
600 L A 0.6588
601 V A 1.5690
602 D A -1.7721
603 K A -1.9303
604 Y A 0.2212
605 L A 1.3183
606 C A -0.0284
607 R A -1.7801
608 C A -0.0835
609 P A -0.0860
610 S A -0.2449
611 G A -0.3100
612 T A 0.0000
613 T A -0.0846
614 G A 0.0947
615 V A 1.6862
616 N A 0.0831
617 C A 0.0000
618 E A -0.4247
619 V A 0.8713
620 N A -0.4179
621 I A 1.1334
622 D A -1.6503
623 D A -1.1677
624 C A -0.0593
625 A A 0.0363
626 S A -0.4297
627 N A -1.3200
628 P A -0.2600
629 C A 0.1472
630 T A 0.1725
631 F A 1.2382
632 G A 0.5057
633 V A 1.7791
634 C A 0.1196
635 R A -1.9479
636 D A -0.9802
637 G A -0.2932
638 I A 0.7821
639 N A -1.4340
640 R A -1.9982
641 Y A -0.2289
642 D A -1.6777
643 C A -0.1422
644 V A 0.5711
645 C A 0.0547
646 Q A -1.0506
647 P A -0.6179
648 G A -0.4906
649 F A -0.0910
650 T A -0.0243
651 G A -0.2012
652 P A -0.1346
653 L A 0.7825
654 C A 0.0000
655 N A -0.9561
656 V A 1.2071
657 E A -1.3157
658 I A 0.2391
659 N A -1.2846
660 E A -1.1097
661 C A -0.0217
662 A A 0.0429
663 S A -0.2411
664 S A -0.2605
665 P A -0.0718
666 C A 0.1328
667 G A -0.4201
668 E A -1.9325
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1932 V A -0.1689
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1936 D A 0.0000
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1938 L A 0.4434
1939 G A 0.0955
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1941 S A 0.0000
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1944 H A 0.0000
1945 W A 0.2146
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1949 V A 0.8297
1950 N A -0.2660
1951 N A 0.0000
1952 V A 0.0700
1953 E A -1.7459
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6263
1957 A A 0.1198
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1960 K A -1.8938
1961 N A -1.6147
1962 G A -0.6903
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1966 D A -0.4326
1967 M A -0.0994
1968 Q A -1.0683
1969 D A 0.0000
1970 S A -0.3713
1971 K A -1.3756
1972 E A -1.7941
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 -0.8337
1982 E A -1.9416
1983 G A -0.4956
1984 S A 0.0000
1985 Y A 0.3931
1986 E A -1.6891
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.0606
1990 L A -0.1788
1991 L A 0.0000
1992 L A -0.0420
1993 D A -1.7791
1994 H A -0.3425
1995 F A 1.0730
1996 A A 0.0000
1997 N A -0.8552
1998 R A -0.7099
1999 E A -1.5723
2000 I A 0.0315
2001 T A -0.1581
2002 D A 0.0000
2003 H A -0.5363
2004 L A 1.0822
2005 D A -1.5888
2006 R A -0.6762
2007 L A 0.2497
2008 P A 0.0000
2009 R A -0.8344
2010 D A -1.2345
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.3625
2014 E A -2.3636
2015 R A -1.8748
2016 L A 1.0606
2017 H A -0.1314
2018 Q A -1.4431
2019 D A -1.3686
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2021 V A 0.0000
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2100 S A 0.0332
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2267 S A -0.3009
2268 E A -1.9075
2269 S A -0.6368
2270 T A -0.1610
2271 P A -0.3090
2272 S A -0.3164
2273 P A -0.2899
2274 A A -0.0034
2275 T A -0.0451
2276 A A 0.0261
2277 T A -0.1481
2278 G A -0.4685
2279 A A 0.1663
2280 M A 1.0789
2281 A A 0.3059
2282 T A -0.0728
2283 T A -0.1017
2284 T A -0.1757
2285 G A -0.4647
2286 A A 0.2336
2287 L A 1.5019
2288 P A 0.1026
2289 A A -0.2524
2290 Q A -1.2364
2291 P A -0.1953
2292 L A 1.4443
2293 P A 0.3869
2294 L A 1.4513
2295 S A 0.4788
2296 V A 1.6801
2297 P A 0.0353
2298 S A -0.3108
2299 S A 0.1201
2300 L A 1.5074
2301 A A 0.0590
2302 Q A -1.1734
2303 A A -0.4439
2304 Q A -1.1981
2305 T A -0.5273
2306 Q A -0.8460
2307 L A 1.1796
2308 G A -0.2477
2309 P A -0.5951
2310 Q A -1.2992
2311 P A -0.8531
2312 E A -1.5163
2313 V A 1.3959
2314 T A 0.2556
2315 P A -0.6594
2316 K A -2.1007
2317 R A -2.3798
2318 Q A -1.1319
2319 V A 1.7789
2320 L A 1.8829
2321 A A 0.4306
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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 -0.0008 4.6617 View CSV PDB
4.5 -0.0331 4.6617 View CSV PDB
5.0 -0.0726 4.6617 View CSV PDB
5.5 -0.1132 4.6617 View CSV PDB
6.0 -0.1501 4.6617 View CSV PDB
6.5 -0.18 4.6617 View CSV PDB
7.0 -0.2029 4.6617 View CSV PDB
7.5 -0.221 4.6617 View CSV PDB
8.0 -0.2358 4.6617 View CSV PDB
8.5 -0.2471 4.6617 View CSV PDB
9.0 -0.2536 4.6617 View CSV PDB