Project name: T577I_4D_5

Status: done

Started: 2026-06-01 06:29:42
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGIRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:00:20)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:19:41)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/35b042e9ed1b3f5/tmp/folded.pdb                (00:19:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:40:17)
Show buried residues

Minimal score value
-2.5964
Maximal score value
2.578
Average score
-0.2757
Total score value
-639.9152

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 0.9650
2 G A -0.3139
3 P A -0.4276
4 G A -0.5022
5 A A -0.3927
6 R A -1.9173
7 G A -1.1356
8 R A -2.2699
9 R A -2.5783
10 R A -2.5964
11 R A -2.5432
12 R A -2.5206
13 R A -2.2268
14 P A -0.3937
15 M A 0.9666
16 S A -0.0637
17 P A -0.3398
18 P A -0.3475
19 P A -0.3476
20 P A -0.3479
21 P A -0.3478
22 P A -0.3476
23 P A 0.0292
24 V A 1.3852
25 R A -1.5062
26 A A 0.0043
27 L A 1.5116
28 P A 0.3275
29 L A 1.7951
30 L A 2.1390
31 L A 2.1441
32 L A 2.1463
33 L A 1.8562
34 A A 0.2675
35 G A -0.5020
36 P A -0.4274
37 G A -0.5030
38 A A -0.0176
39 A A 0.0794
40 A A 0.0467
41 P A -0.1179
42 P A -0.1600
43 C A 0.3680
44 L A 1.2432
45 D A -1.5925
46 G A -0.8277
47 S A -0.2807
48 P A -0.0858
49 C A -0.1603
50 A A -0.1304
51 N A -0.9879
52 G A -0.6305
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1078
57 Q A -0.3578
58 L A 0.6121
59 P A -0.1582
60 S A -0.5850
61 R A -2.2156
62 E A -2.1543
63 A A -0.3747
64 A A 0.0303
65 C A 0.3766
66 L A 1.6090
67 C A 0.5182
68 P A -0.0666
69 P A -0.2773
70 G A -0.0774
71 W A 0.0832
72 V A 0.2943
73 G A -0.3659
74 E A -2.1472
75 R A -2.0591
76 C A 0.0000
77 Q A -0.4647
78 L A -0.1931
79 E A -1.7855
80 D A -0.5861
81 P A -0.0699
82 C A -0.0779
83 H A -1.0091
84 S A -0.4770
85 G A -0.5141
86 P A -0.1235
87 C A -0.0405
88 A A -0.0029
89 G A -0.5490
90 R A -1.8953
91 G A -0.0458
92 V A 1.7893
93 C A 0.3270
94 Q A -0.8605
95 S A -0.1437
96 S A 0.0057
97 V A 1.1076
98 V A 1.9233
99 A A 0.2976
100 G A -0.4651
101 T A -0.1358
102 A A 0.0000
103 R A -1.7353
104 F A 0.1888
105 S A -0.0884
106 C A -0.2754
107 R A -1.7828
108 C A -0.1236
109 P A -0.3457
110 R A -1.8674
111 G A -0.2916
112 F A 0.7078
113 R A -0.2581
114 G A -0.2628
115 P A -0.4641
116 D A -1.0512
117 C A 0.0000
118 S A -0.0471
119 L A 0.8197
120 P A -0.0276
121 D A -0.3277
122 P A -0.0705
123 C A 0.2322
124 L A 0.7006
125 S A -0.1196
126 S A -0.2593
127 P A -0.0704
128 C A 0.0694
129 A A -0.1209
130 H A -0.8861
131 G A -0.6101
132 A A -0.3942
133 R A -1.8030
134 C A -0.1609
135 S A -0.0277
136 V A 0.7795
137 G A 0.0448
138 P A -0.5887
139 D A -1.8455
140 G A -0.7087
141 R A -1.7885
142 F A 0.2326
143 L A 0.7495
144 C A 0.1919
145 S A -0.1536
146 C A 0.1857
147 P A -0.0754
148 P A -0.2767
149 G A -0.0789
150 Y A -0.1689
151 Q A -1.2565
152 G A -0.9654
153 R A -1.6001
154 S A -0.3132
155 C A 0.0000
156 R A -1.8835
157 S A -0.6940
158 D A -0.7043
159 V A 0.1510
160 D A -0.3802
161 E A -0.8042
162 C A -0.3472
163 R A -1.4982
164 V A 1.3964
165 G A -0.2186
166 E A -1.8695
167 P A -0.3892
168 C A 0.0000
169 R A -2.0017
170 H A -1.2843
171 G A -0.6313
172 G A -0.1218
173 T A -0.0581
174 C A 0.2251
175 L A 0.4736
176 N A -0.4519
177 T A 0.0000
178 P A -0.2678
179 G A -0.1516
180 S A -0.0806
181 F A -0.0441
182 R A -1.7507
183 C A -0.4614
184 Q A -1.1411
185 C A -0.0309
186 P A -0.0589
187 A A 0.0203
188 G A -0.0133
189 Y A 0.3460
190 T A 0.0227
191 G A -0.2257
192 P A -0.2135
193 L A 0.3667
194 C A 0.0000
195 E A -0.7369
196 N A -1.2783
197 P A -0.4001
198 A A 0.2840
199 V A 1.4949
200 P A 0.0000
201 C A 0.1404
202 A A -0.0080
203 P A -0.2640
204 S A -0.1565
205 P A -0.0664
206 C A 0.0000
207 R A -1.9869
208 N A -1.2013
209 G A -0.6147
210 G A -0.1126
211 T A -0.0608
212 C A -0.2412
213 R A -2.0500
214 Q A -1.5172
215 S A -0.4087
216 G A -0.5355
217 D A -1.5777
218 L A 1.0124
219 T A 0.2509
220 Y A -0.0879
221 D A -1.6927
222 C A -0.2304
223 A A 0.0810
224 C A 0.3890
225 L A 0.8688
226 P A -0.1066
227 G A -0.2591
228 F A -0.1609
229 E A -1.8269
230 G A -0.8324
231 Q A -1.2920
232 N A -0.4527
233 C A 0.0000
234 E A -0.8620
235 V A 0.8592
236 N A -0.0823
237 V A 0.3030
238 D A -1.7449
239 D A -0.7920
240 C A -0.0424
241 P A -0.3240
242 G A -0.6033
243 H A -0.9150
244 R A -1.9338
245 C A 0.0000
246 L A 1.2529
247 N A -0.6460
248 G A -0.6218
249 G A -0.1161
250 T A -0.0622
251 C A 0.2235
252 V A 0.6140
253 D A -0.6213
254 G A 0.0678
255 V A 1.5152
256 N A -0.9726
257 T A -0.2591
258 Y A -0.1219
259 N A -1.2140
260 C A -0.3635
261 Q A -1.1469
262 C A -0.0441
263 P A -0.0637
264 P A -0.3946
265 E A -0.7400
266 W A -0.0345
267 T A -0.0543
268 G A -0.5260
269 Q A -1.1978
270 F A 0.0945
271 C A 0.0000
272 T A -0.4042
273 E A -1.9089
274 D A -0.6953
275 V A 0.0230
276 D A -0.5037
277 E A -0.0917
278 C A -0.1332
279 Q A -0.8968
280 L A 1.0938
281 Q A -0.9613
282 P A -0.7008
283 N A -1.3178
284 A A -0.2225
285 C A 0.0000
286 H A -0.8491
287 N A -0.9812
288 G A -0.6161
289 G A -0.1306
290 T A -0.0451
291 C A 0.4731
292 F A 1.7830
293 N A -0.2790
294 T A 0.0677
295 L A 1.5053
296 G A 0.1011
297 G A -0.1959
298 H A -0.6077
299 S A -0.2390
300 C A 0.3954
301 V A 1.8216
302 C A 0.6995
303 V A 0.8804
304 N A -1.0748
305 G A 0.0000
306 W A 0.1381
307 T A -0.0332
308 G A -0.5526
309 E A -1.8666
310 S A -0.3702
311 C A 0.0000
312 S A -0.4178
313 Q A -1.2989
314 N A -0.3852
315 I A 0.4911
316 D A -1.6363
317 D A -0.7475
318 C A 0.0432
319 A A 0.0665
320 T A -0.0587
321 A A 0.3344
322 V A 1.7947
323 C A 0.6106
324 F A 0.4762
325 H A -0.9587
326 G A -0.6445
327 A A -0.0588
328 T A -0.0372
329 C A 0.0671
330 H A -0.4228
331 D A -0.4929
332 R A -0.2893
333 V A 0.7702
334 A A 0.1732
335 S A 0.0638
336 F A 0.6631
337 Y A 0.5870
338 C A 0.0000
339 A A 0.0752
340 C A 0.2695
341 P A 0.1508
342 M A 1.0186
343 G A -0.0340
344 K A -0.7766
345 T A -0.1154
346 G A 0.0723
347 L A 0.9911
348 L A 0.6869
349 C A 0.0000
350 H A -0.9409
351 L A -0.2407
352 D A -1.8765
353 D A -0.8117
354 A A -0.0481
355 C A 0.3489
356 V A 1.3948
357 S A -0.1823
358 N A -1.3309
359 P A -0.3262
360 C A 0.0263
361 H A -0.4586
362 E A -2.1721
363 D A -2.1199
364 A A 0.0640
365 I A 2.0449
366 C A 0.4772
367 D A -0.3809
368 T A 0.0000
369 N A -0.1821
370 P A 0.2001
371 V A 1.5270
372 N A -0.9679
373 G A -0.6591
374 R A -1.8602
375 A A -0.2187
376 I A 0.6705
377 C A 0.2234
378 T A 0.0079
379 C A 0.0824
380 P A -0.0550
381 P A -0.2688
382 G A -0.0448
383 F A 0.1424
384 T A -0.0754
385 G A -0.4933
386 G A -0.5357
387 A A -0.0520
388 C A 0.0000
389 D A -2.0090
390 Q A -1.5814
391 D A -0.4432
392 V A 0.0651
393 D A -0.8400
394 E A -0.4093
395 C A 0.0636
396 S A 0.1795
397 I A 1.8874
398 G A -0.0828
399 A A -0.2489
400 N A -1.1666
401 P A -0.2385
402 C A 0.0000
403 E A -1.7702
404 H A -0.6430
405 L A 1.4359
406 G A 0.0000
407 R A -1.9671
408 C A 0.0000
409 V A 0.4724
410 N A -0.2803
411 T A -0.2742
412 Q A -1.2161
413 G A -0.3271
414 S A -0.0646
415 F A 0.6674
416 L A 1.3620
417 C A 0.0822
418 Q A -1.3316
419 C A -0.0536
420 G A -0.5914
421 R A -1.9036
422 G A 0.0000
423 Y A -0.0464
424 T A -0.0328
425 G A -0.1989
426 P A -0.4781
427 R A -1.1465
428 C A 0.0000
429 E A -1.0334
430 T A -0.5630
431 D A -1.6847
432 V A 0.0408
433 N A -0.5851
434 E A -0.4914
435 C A 0.3087
436 L A 1.5276
437 S A -0.0163
438 G A -0.5122
439 P A -0.1082
440 C A -0.1488
441 R A -1.9451
442 N A -1.1894
443 Q A -1.3114
444 A A -0.2084
445 T A -0.0279
446 C A 0.1394
447 L A 0.0000
448 D A -0.8065
449 R A -0.2689
450 I A 1.9106
451 G A -0.0951
452 Q A -1.0226
453 F A -0.0607
454 T A 0.0176
455 C A 0.0000
456 I A 0.2181
457 C A 0.2635
458 M A 0.5804
459 A A 0.1599
460 G A 0.0000
461 F A -0.0276
462 T A -0.0463
463 G A -0.2585
464 T A 0.0437
465 Y A 0.8649
466 C A 0.0000
467 E A -0.4223
468 V A 0.6911
469 D A -1.3900
470 I A 0.2592
471 D A -1.4313
472 E A -1.1887
473 C A -0.2911
474 Q A -1.2202
475 S A -0.4700
476 S A -0.2587
477 P A -0.0670
478 C A 0.2328
479 V A 0.8348
480 N A -0.7525
481 G A -0.6298
482 G A 0.2114
483 V A 1.7881
484 C A 0.2689
485 K A -1.4686
486 D A -2.2591
487 R A -1.8434
488 V A 1.2024
489 N A -0.9671
490 G A -0.2135
491 F A 0.3828
492 S A 0.0873
493 C A 0.1033
494 T A 0.0026
495 C A 0.1510
496 P A -0.1106
497 S A -0.2448
498 G A -0.3494
499 F A 0.0310
500 S A -0.1257
501 G A -0.5217
502 S A -0.2991
503 T A -0.0384
504 C A 0.0000
505 Q A -0.9456
506 L A 0.8170
507 D A -1.3790
508 V A -0.0086
509 D A -1.7899
510 E A -1.2960
511 C A -0.0745
512 A A 0.0368
513 S A -0.2148
514 T A -0.1153
515 P A -0.0501
516 C A 0.0000
517 R A -1.8030
518 N A -1.5252
519 G A -0.6703
520 A A -0.3583
521 K A -1.6827
522 C A -0.1190
523 V A 0.2661
524 D A -1.5283
525 Q A -1.2090
526 P A -0.7408
527 D A -1.8670
528 G A -0.3350
529 Y A 0.0851
530 E A -1.2996
531 C A -0.5051
532 R A -1.7819
533 C A -0.0873
534 A A -0.2611
535 E A -1.8259
536 G A -0.3362
537 F A -0.1565
538 E A -1.4785
539 G A -0.5821
540 T A -0.0527
541 L A 0.3928
542 C A 0.0000
543 D A -2.0378
544 R A -2.3295
545 N A -1.1650
546 V A 0.1265
547 D A -1.7963
548 D A -0.9715
549 C A -0.2212
550 S A -0.2596
551 P A -0.6314
552 D A -1.8270
553 P A -0.3574
554 C A 0.0000
555 H A -1.0655
556 H A -0.6238
557 G A -0.5179
558 R A -1.8530
559 C A 0.0593
560 V A 1.3132
561 D A -1.0674
562 G A -0.0873
563 I A 1.9836
564 A A 0.3482
565 S A -0.0843
566 F A 0.3608
567 S A -0.0855
568 C A 0.0820
569 A A 0.1250
570 C A 0.2913
571 A A 0.0348
572 P A -0.2612
573 G A -0.0556
574 Y A 0.1493
575 T A -0.0511
576 G A 0.0752
577 I A 1.8131
578 R A -0.4700
579 C A 0.0000
580 E A -1.4041
581 S A -0.5409
582 Q A -0.7338
583 V A 0.3672
584 D A -1.2908
585 E A -0.5828
586 C A 0.0000
587 R A -1.8836
588 S A -0.7683
589 Q A -1.2417
590 P A -0.2357
591 C A -0.3037
592 R A -1.9042
593 H A -0.8208
594 G A -0.5480
595 G A -0.4169
596 K A -1.7104
597 C A 0.0000
598 L A 0.0150
599 D A -1.5387
600 L A 0.6088
601 V A 1.5595
602 D A -1.7733
603 K A -1.9032
604 Y A 0.3883
605 L A 1.3974
606 C A -0.0290
607 R A -1.7818
608 C A -0.0850
609 P A -0.0818
610 S A -0.2448
611 G A -0.3090
612 T A 0.0000
613 T A -0.0836
614 G A 0.1128
615 V A 1.6876
616 N A 0.0703
617 C A 0.0000
618 E A -0.5058
619 V A 0.8308
620 N A -0.3975
621 I A 1.1806
622 D A -1.6754
623 D A -1.3474
624 C A -0.0896
625 A A 0.0364
626 S A -0.4278
627 N A -1.3194
628 P A -0.2589
629 C A 0.1393
630 T A 0.1725
631 F A 1.1783
632 G A 0.4393
633 V A 1.7720
634 C A 0.1407
635 R A -1.9464
636 D A -0.9802
637 G A -0.2794
638 I A 0.5436
639 N A -1.4789
640 R A -1.9911
641 Y A -0.1438
642 D A -1.2084
643 C A -0.0226
644 V A 0.6568
645 C A 0.1449
646 Q A -0.6017
647 P A -0.5276
648 G A -0.2312
649 F A -0.0060
650 T A 0.1757
651 G A -0.1927
652 P A -0.1469
653 L A 0.7009
654 C A 0.0000
655 N A -0.9592
656 V A 1.2086
657 E A -1.3060
658 I A 0.2448
659 N A -1.1831
660 E A -0.5486
661 C A 0.0793
662 A A 0.0432
663 S A -0.2409
664 S A -0.2620
665 P A -0.0820
666 C A 0.0417
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1932 V A -0.1693
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1935 V A 0.5601
1936 D A 0.0000
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1938 L A 0.3269
1939 G A 0.0727
1940 K A -0.1989
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1944 H A 0.0000
1945 W A 0.1199
1946 A A 0.0000
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1950 N A -0.3857
1951 N A 0.0000
1952 V A 0.1620
1953 E A -1.7295
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6133
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1960 K A -1.8897
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1962 G A -0.6857
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1965 K A -0.7451
1966 D A -0.5338
1967 M A -0.0454
1968 Q A -0.6427
1969 D A 0.0000
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1971 K A -1.0098
1972 E A -1.4625
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 -0.7545
1982 E A -1.4819
1983 G A -0.4124
1984 S A 0.0000
1985 Y A -0.0341
1986 E A -1.3626
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.1006
1990 L A -0.1821
1991 L A 0.0000
1992 L A 0.0062
1993 D A -1.7767
1994 H A -0.2322
1995 F A 1.5820
1996 A A 0.0000
1997 N A -0.3952
1998 R A -0.7184
1999 E A -1.8193
2000 I A -0.0005
2001 T A -0.1522
2002 D A 0.0000
2003 H A -0.5624
2004 L A 1.0769
2005 D A -1.5912
2006 R A -0.6924
2007 L A 0.2569
2008 P A 0.0000
2009 R A -0.8401
2010 D A -1.1966
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.3161
2014 E A -2.1950
2015 R A -0.9769
2016 L A 1.2266
2017 H A -0.1100
2018 Q A -1.3533
2019 D A -0.9010
2020 I A 0.0000
2021 V A 0.0000
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2100 S A 0.0339
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2267 S A -0.3247
2268 E A -1.9064
2269 S A -0.6215
2270 T A -0.1593
2271 P A -0.3080
2272 S A -0.3132
2273 P A -0.2880
2274 A A -0.0023
2275 T A -0.0456
2276 A A 0.0265
2277 T A -0.1488
2278 G A -0.4685
2279 A A 0.1665
2280 M A 1.0785
2281 A A 0.2980
2282 T A -0.0731
2283 T A -0.1015
2284 T A -0.1828
2285 G A -0.4673
2286 A A 0.2590
2287 L A 1.5056
2288 P A 0.0822
2289 A A -0.2698
2290 Q A -1.2342
2291 P A -0.1903
2292 L A 1.4433
2293 P A 0.3946
2294 L A 1.4499
2295 S A 0.4925
2296 V A 1.6786
2297 P A 0.0417
2298 S A -0.3125
2299 S A 0.1247
2300 L A 1.5068
2301 A A 0.0602
2302 Q A -1.1732
2303 A A -0.4479
2304 Q A -1.1981
2305 T A -0.5309
2306 Q A -0.8440
2307 L A 1.1773
2308 G A -0.2453
2309 P A -0.5971
2310 Q A -1.2996
2311 P A -0.8586
2312 E A -1.5167
2313 V A 1.3957
2314 T A 0.2531
2315 P A -0.6597
2316 K A -2.1008
2317 R A -2.3800
2318 Q A -1.1429
2319 V A 1.7873
2320 L A 1.8842
2321 A A 0.4300
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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 0.0009 4.661 View CSV PDB
4.5 -0.0315 4.661 View CSV PDB
5.0 -0.0708 4.661 View CSV PDB
5.5 -0.1111 4.661 View CSV PDB
6.0 -0.1476 4.661 View CSV PDB
6.5 -0.1771 4.661 View CSV PDB
7.0 -0.1996 4.661 View CSV PDB
7.5 -0.2174 4.661 View CSV PDB
8.0 -0.232 4.661 View CSV PDB
8.5 -0.2431 4.661 View CSV PDB
9.0 -0.2492 4.661 View CSV PDB