Project name: Y710C_4D_5

Status: done

Started: 2026-06-01 06:27:35
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICCDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:21)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:21)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:27)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/badfbbead5f4db4/tmp/folded.pdb                (00:18:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:39:30)
Show buried residues

Minimal score value
-2.6433
Maximal score value
2.4057
Average score
-0.2827
Total score value
-656.2451

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 0.9644
2 G A -0.3131
3 P A -0.4585
4 G A -0.5184
5 A A -0.4182
6 R A -1.9188
7 G A -1.1519
8 R A -2.2698
9 R A -2.6190
10 R A -2.6433
11 R A -2.5649
12 R A -2.5353
13 R A -2.2247
14 P A -0.4002
15 M A 0.9679
16 S A -0.0658
17 P A -0.3393
18 P A -0.3470
19 P A -0.3473
20 P A -0.3473
21 P A -0.3472
22 P A -0.3475
23 P A 0.0241
24 V A 1.3892
25 R A -1.5095
26 A A -0.0005
27 L A 1.5118
28 P A 0.3126
29 L A 1.7877
30 L A 2.1206
31 L A 2.1174
32 L A 2.1174
33 L A 1.8445
34 A A 0.2599
35 G A -0.5022
36 P A -0.4261
37 G A -0.5026
38 A A -0.0166
39 A A 0.0798
40 A A 0.0565
41 P A -0.0633
42 P A -0.0606
43 C A 0.3354
44 L A 1.3171
45 D A -1.1471
46 G A -0.7193
47 S A -0.1939
48 P A -0.2517
49 C A -0.0229
50 A A -0.1216
51 N A -0.9510
52 G A -0.6350
53 G A -0.4443
54 R A -1.8326
55 C A -0.2247
56 T A -0.2197
57 Q A -1.1012
58 L A 0.2762
59 P A -0.1959
60 S A -0.5854
61 R A -2.2172
62 E A -2.1597
63 A A 0.0000
64 A A 0.0127
65 C A 0.0000
66 L A 1.5908
67 C A 0.4988
68 P A -0.0736
69 P A -0.2785
70 G A -0.0847
71 W A 0.0552
72 V A 0.2794
73 G A -0.3563
74 E A -1.8301
75 R A -0.7866
76 C A 0.0000
77 Q A -0.4506
78 L A -0.1669
79 E A -1.7857
80 D A -0.5913
81 P A -0.0751
82 C A -0.0800
83 H A -1.0093
84 S A -0.4761
85 G A -0.5164
86 P A -0.1367
87 C A -0.0083
88 A A -0.0024
89 G A -0.5689
90 R A -1.8995
91 G A -0.0485
92 V A 1.7834
93 C A 0.3150
94 Q A -0.7926
95 S A -0.1448
96 S A -0.0623
97 V A 1.0734
98 V A 1.9099
99 A A 0.2947
100 G A -0.4653
101 T A -0.1369
102 A A 0.0000
103 R A -1.7074
104 F A 0.3455
105 S A -0.0598
106 C A -0.2787
107 R A -1.7852
108 C A -0.1317
109 P A -0.3408
110 R A -1.8523
111 G A 0.0000
112 F A 0.7543
113 R A -0.3839
114 G A -0.2847
115 P A -0.4103
116 D A -0.7592
117 C A 0.0000
118 S A -0.0290
119 L A 0.7091
120 P A -0.0412
121 D A -0.3079
122 P A -0.0890
123 C A 0.2775
124 L A 1.1318
125 S A -0.0410
126 S A -0.2594
127 P A -0.0722
128 C A 0.0666
129 A A -0.1159
130 H A -0.8460
131 G A -0.6030
132 A A -0.3913
133 R A -1.8049
134 C A -0.1703
135 S A -0.0339
136 V A 0.6748
137 G A 0.0131
138 P A -0.5914
139 D A -1.8561
140 G A -0.7664
141 R A -1.7936
142 F A 0.3746
143 L A 1.4216
144 C A 0.3290
145 S A -0.0055
146 C A 0.2276
147 P A -0.0694
148 P A -0.2847
149 G A -0.1265
150 Y A -0.1737
151 Q A -1.2551
152 G A -1.0282
153 R A -1.9402
154 S A -0.3788
155 C A 0.0000
156 R A -1.8832
157 S A -0.6966
158 D A -0.7411
159 V A 0.1316
160 D A -0.4672
161 E A -1.1081
162 C A -0.3990
163 R A -1.4982
164 V A 1.3822
165 G A -0.3056
166 E A -1.8816
167 P A -0.3706
168 C A 0.0000
169 R A -1.5965
170 H A -1.2306
171 G A -0.6361
172 G A -0.1267
173 T A -0.0561
174 C A 0.2483
175 L A 0.5603
176 N A -0.4071
177 T A -0.1156
178 P A -0.2711
179 G A -0.1767
180 S A -0.1255
181 F A -0.0542
182 R A -1.7538
183 C A -0.4514
184 Q A -1.1397
185 C A -0.0203
186 P A -0.0576
187 A A 0.0191
188 G A -0.0216
189 Y A 0.3363
190 T A 0.0288
191 G A -0.1931
192 P A -0.2057
193 L A 0.3776
194 C A 0.0000
195 E A -1.3063
196 N A -1.4219
197 P A -0.4053
198 A A 0.2540
199 V A 1.3287
200 P A 0.2401
201 C A 0.1319
202 A A -0.0128
203 P A -0.2697
204 S A -0.1902
205 P A -0.0832
206 C A -0.3060
207 R A -1.8826
208 N A -0.7056
209 G A -0.5260
210 G A -0.1161
211 T A -0.0609
212 C A -0.2463
213 R A -2.0465
214 Q A -1.4884
215 S A -0.3987
216 G A -0.5421
217 D A -1.5429
218 L A 1.2155
219 T A 0.2944
220 Y A -0.0377
221 D A -1.6779
222 C A 0.0000
223 A A 0.0700
224 C A 0.3805
225 L A 0.8202
226 P A -0.1150
227 G A -0.2809
228 F A -0.2494
229 E A -1.8084
230 G A -0.7854
231 Q A -1.2864
232 N A -0.4602
233 C A 0.0000
234 E A -1.4257
235 V A 0.6037
236 N A -0.7940
237 V A 0.2117
238 D A -1.8063
239 D A -1.1775
240 C A -0.1118
241 P A -0.3245
242 G A -0.6057
243 H A -0.9282
244 R A -1.9364
245 C A 0.0000
246 L A 1.2620
247 N A -0.6682
248 G A -0.6267
249 G A -0.1126
250 T A -0.0609
251 C A 0.2539
252 V A 0.7891
253 D A -0.3526
254 G A 0.1432
255 V A 1.5227
256 N A -0.9715
257 T A -0.2448
258 Y A -0.1146
259 N A -1.2194
260 C A -0.3660
261 Q A -1.1441
262 C A -0.0298
263 P A -0.0650
264 P A -0.3772
265 E A -0.6343
266 W A -0.0164
267 T A -0.2306
268 G A -0.4076
269 Q A -1.1786
270 F A 0.0770
271 C A 0.0000
272 T A -0.3898
273 E A -1.9220
274 D A -0.7577
275 V A 0.0099
276 D A -0.4944
277 E A -0.1943
278 C A -0.1580
279 Q A -0.8964
280 L A 1.0823
281 Q A -0.9623
282 P A -0.7023
283 N A -1.3180
284 A A -0.2231
285 C A 0.0000
286 H A -1.0780
287 N A -1.0387
288 G A -0.6189
289 G A -0.1323
290 T A -0.0488
291 C A 0.4759
292 F A 1.8513
293 N A -0.2983
294 T A 0.0708
295 L A 1.5056
296 G A 0.1034
297 G A -0.1793
298 H A -0.5199
299 S A -0.2219
300 C A 0.3917
301 V A 1.8206
302 C A 0.6191
303 V A 0.4434
304 N A -1.1543
305 G A 0.0000
306 W A 0.1460
307 T A -0.0233
308 G A -0.5110
309 E A -1.8626
310 S A -0.3891
311 C A 0.0000
312 S A -0.4327
313 Q A -1.2986
314 N A -0.3772
315 I A 0.4736
316 D A -1.4870
317 D A -0.8189
318 C A 0.0214
319 A A 0.0659
320 T A -0.0586
321 A A 0.3363
322 V A 1.7940
323 C A 0.6466
324 F A 0.7983
325 H A -0.8985
326 G A -0.6443
327 A A -0.0612
328 T A -0.0410
329 C A 0.0701
330 H A -0.5969
331 D A -1.6434
332 R A -1.1329
333 V A 0.5188
334 A A 0.1286
335 S A -0.0635
336 F A 0.3823
337 Y A 1.1327
338 C A 0.0000
339 A A 0.0709
340 C A 0.2426
341 P A 0.1429
342 M A 1.0233
343 G A 0.0326
344 K A -0.6307
345 T A -0.0924
346 G A 0.1710
347 L A 1.5913
348 L A 0.6044
349 C A 0.0000
350 H A -0.4099
351 L A -0.1772
352 D A -1.8407
353 D A -0.6535
354 A A -0.0219
355 C A 0.2803
356 V A 1.0038
357 S A -0.2535
358 N A -1.3310
359 P A -0.3264
360 C A 0.0007
361 H A -0.6103
362 E A -2.1976
363 D A -2.1182
364 A A 0.0757
365 I A 2.0445
366 C A 0.2209
367 D A -1.7589
368 T A 0.0000
369 N A 0.0000
370 P A 0.0842
371 V A 1.5004
372 N A -0.9684
373 G A -0.6631
374 R A -1.8608
375 A A -0.1887
376 I A 0.8311
377 C A 0.2493
378 T A -0.0172
379 C A 0.1842
380 P A 0.0000
381 P A -0.2644
382 G A -0.0345
383 F A 0.1542
384 T A -0.0750
385 G A -0.4819
386 G A -0.5333
387 A A -0.0506
388 C A 0.0000
389 D A -2.0078
390 Q A -1.5862
391 D A -0.4631
392 V A 0.1403
393 D A -0.7943
394 E A -0.3494
395 C A 0.0720
396 S A 0.1762
397 I A 1.8889
398 G A -0.0867
399 A A -0.2345
400 N A -1.1119
401 P A -0.2291
402 C A 0.0000
403 E A -1.4079
404 H A -0.4202
405 L A 1.4650
406 G A 0.0000
407 R A -1.9669
408 C A 0.0000
409 V A 0.5273
410 N A -0.2579
411 T A -0.2737
412 Q A -1.2159
413 G A -0.3246
414 S A -0.0694
415 F A 0.6561
416 L A 1.3650
417 C A 0.0814
418 Q A -1.3310
419 C A -0.0500
420 G A -0.6146
421 R A -1.9122
422 G A -0.1324
423 Y A 0.0183
424 T A -0.0395
425 G A -0.2327
426 P A -0.4955
427 R A -1.2056
428 C A 0.0000
429 E A -1.8302
430 T A -0.6222
431 D A -1.1360
432 V A 0.2146
433 N A -0.7345
434 E A -0.7621
435 C A 0.2839
436 L A 1.5314
437 S A -0.0160
438 G A -0.5115
439 P A -0.1057
440 C A -0.1753
441 R A -1.9617
442 N A -1.2788
443 Q A -1.3273
444 A A -0.2001
445 T A -0.0416
446 C A 0.2746
447 L A 0.6016
448 D A -0.7593
449 R A -1.1219
450 I A 1.7537
451 G A 0.0000
452 Q A -1.1410
453 F A 0.0006
454 T A 0.0389
455 C A 0.3609
456 I A 1.5407
457 C A 0.5871
458 M A 0.5823
459 A A 0.1477
460 G A -0.2410
461 F A -0.0429
462 T A -0.0513
463 G A -0.2713
464 T A 0.0076
465 Y A 0.6796
466 C A 0.0000
467 E A -0.5702
468 V A 0.7095
469 D A -1.3940
470 I A 0.1940
471 D A -1.6059
472 E A -1.2816
473 C A -0.3028
474 Q A -1.2196
475 S A -0.4678
476 S A -0.2593
477 P A -0.0711
478 C A 0.2532
479 V A 0.8925
480 N A -0.8041
481 G A -0.6408
482 G A 0.2013
483 V A 1.7878
484 C A 0.2703
485 K A -1.4511
486 D A -2.2541
487 R A -1.8422
488 V A 1.2038
489 N A -0.9799
490 G A -0.2275
491 F A 0.3849
492 S A 0.0871
493 C A 0.1003
494 T A 0.0007
495 C A 0.1465
496 P A -0.1136
497 S A -0.2424
498 G A -0.3417
499 F A 0.0425
500 S A -0.1046
501 G A -0.4161
502 S A -0.2805
503 T A -0.0418
504 C A 0.0000
505 Q A -0.9730
506 L A 0.6852
507 D A -1.3931
508 V A 0.0603
509 D A -1.7207
510 E A -0.6629
511 C A 0.0439
512 A A 0.0373
513 S A -0.2148
514 T A -0.1136
515 P A -0.0402
516 C A 0.0000
517 R A -1.6182
518 N A -1.3421
519 G A -0.6427
520 A A -0.3518
521 K A -1.6845
522 C A -0.1354
523 V A 0.1901
524 D A -1.7903
525 Q A -1.3088
526 P A -0.7468
527 D A -1.8644
528 G A -0.3258
529 Y A 0.0640
530 E A -1.5058
531 C A -0.5431
532 R A -1.7790
533 C A -0.0669
534 A A -0.2550
535 E A -1.8270
536 G A -0.3310
537 F A -0.0810
538 E A -1.6601
539 G A -0.5876
540 T A -0.0502
541 L A 0.3784
542 C A 0.0000
543 D A -2.1205
544 R A -2.2661
545 N A -0.6975
546 V A 0.3948
547 D A -1.7762
548 D A -1.0602
549 C A -0.2718
550 S A -0.2651
551 P A -0.6317
552 D A -1.8297
553 P A -0.3576
554 C A 0.0000
555 H A -1.0746
556 H A -0.6711
557 G A -0.5070
558 R A -1.8508
559 C A -0.0375
560 V A 0.7484
561 D A -1.5406
562 G A -0.1285
563 I A 1.9929
564 A A 0.3625
565 S A -0.0603
566 F A 0.4111
567 S A -0.0672
568 C A 0.0782
569 A A 0.1056
570 C A 0.2657
571 A A 0.0304
572 P A -0.2605
573 G A -0.2756
574 Y A 0.1005
575 T A -0.0420
576 G A -0.3161
577 T A -0.2567
578 R A -0.7536
579 C A 0.0000
580 E A -1.3300
581 S A -0.5609
582 Q A -1.0876
583 V A 0.0980
584 D A -1.0469
585 E A -0.5195
586 C A -0.3155
587 R A -1.8701
588 S A -0.7650
589 Q A -1.2434
590 P A -0.2418
591 C A -0.3009
592 R A -1.9222
593 H A -0.9198
594 G A -0.5650
595 G A -0.4176
596 K A -1.7105
597 C A 0.0000
598 L A 0.0847
599 D A -1.5034
600 L A 0.7828
601 V A 1.6201
602 D A -1.7795
603 K A -1.8578
604 Y A 0.0082
605 L A 1.0797
606 C A -0.0716
607 R A -1.7803
608 C A -0.0809
609 P A -0.1082
610 S A -0.2519
611 G A -0.2769
612 T A 0.0000
613 T A -0.0933
614 G A 0.0674
615 V A 1.6836
616 N A 0.0765
617 C A 0.0000
618 E A -0.3006
619 V A 0.9418
620 N A -0.1215
621 I A 1.0340
622 D A -1.6657
623 D A -1.1277
624 C A -0.0616
625 A A 0.0335
626 S A -0.4266
627 N A -1.3195
628 P A -0.2649
629 C A 0.1471
630 T A 0.2148
631 F A 1.5009
632 G A 0.4558
633 V A 1.7809
634 C A 0.1316
635 R A -1.9172
636 D A -0.8033
637 G A -0.2533
638 I A 0.5056
639 N A -1.4760
640 R A -1.9886
641 Y A -0.1573
642 D A -1.3542
643 C A -0.0336
644 V A 0.7541
645 C A 0.0910
646 Q A -0.9902
647 P A -0.5954
648 G A 0.0000
649 F A -0.0661
650 T A -0.0270
651 G A -0.2199
652 P A -0.1445
653 L A 0.7496
654 C A 0.0000
655 N A -0.9557
656 V A 1.2147
657 E A -1.2849
658 I A 0.4664
659 N A -1.1294
660 E A -0.4879
661 C A 0.0948
662 A A 0.0455
663 S A -0.2413
664 S A -0.2672
665 P A -0.1107
666 C A 0.0359
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1953 E A -1.7304
1954 A A 0.0000
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1956 L A 0.6361
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1967 M A -0.0777
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1971 K A -1.4531
1972 E A -1.6796
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 -0.7929
1982 E A -1.9322
1983 G A -0.4843
1984 S A 0.0000
1985 Y A 0.1629
1986 E A -1.3852
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.0238
1990 L A -0.1833
1991 L A 0.0000
1992 L A 0.0806
1993 D A -1.7640
1994 H A -0.2457
1995 F A 1.5331
1996 A A 0.0000
1997 N A -0.7916
1998 R A -0.8049
1999 E A -1.8245
2000 I A -0.0109
2001 T A -0.1141
2002 D A 0.0000
2003 H A -0.6350
2004 L A 1.0649
2005 D A -1.5908
2006 R A -0.6862
2007 L A 0.2442
2008 P A 0.0000
2009 R A -1.3421
2010 D A -1.4332
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.3260
2014 E A -2.3342
2015 R A -1.7548
2016 L A 1.0914
2017 H A -0.1075
2018 Q A -1.3726
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2264 S A -0.3728
2265 D A -1.6264
2266 W A 0.8087
2267 S A -0.2676
2268 E A -1.9065
2269 S A -0.6196
2270 T A -0.1675
2271 P A -0.3109
2272 S A -0.3115
2273 P A -0.2815
2274 A A -0.0154
2275 T A -0.0461
2276 A A 0.0274
2277 T A -0.1598
2278 G A -0.4703
2279 A A 0.2161
2280 M A 1.0794
2281 A A 0.2661
2282 T A -0.0765
2283 T A -0.1011
2284 T A -0.2036
2285 G A -0.4735
2286 A A 0.3529
2287 L A 1.5154
2288 P A 0.0429
2289 A A -0.2334
2290 Q A -1.2452
2291 P A -0.2300
2292 L A 1.4357
2293 P A 0.4146
2294 L A 1.4484
2295 S A 0.5236
2296 V A 1.6797
2297 P A 0.0395
2298 S A -0.3162
2299 S A 0.1313
2300 L A 1.5060
2301 A A 0.0708
2302 Q A -1.1733
2303 A A -0.4077
2304 Q A -1.2037
2305 T A -0.5981
2306 Q A -0.8935
2307 L A 1.2121
2308 G A -0.2206
2309 P A -0.6310
2310 Q A -1.3108
2311 P A -0.8342
2312 E A -1.5285
2313 V A 1.4112
2314 T A 0.2370
2315 P A -0.5240
2316 K A -2.0845
2317 R A -2.4004
2318 Q A -1.1556
2319 V A 1.7890
2320 L A 1.8896
2321 A A 0.4165
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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 5.1526 View CSV PDB
4.5 -0.0331 5.1526 View CSV PDB
5.0 -0.0727 5.1526 View CSV PDB
5.5 -0.1138 5.1526 View CSV PDB
6.0 -0.1514 5.1526 View CSV PDB
6.5 -0.1821 5.1526 View CSV PDB
7.0 -0.2056 5.1526 View CSV PDB
7.5 -0.224 5.1526 View CSV PDB
8.0 -0.2391 5.1526 View CSV PDB
8.5 -0.2505 5.1526 View CSV PDB
9.0 -0.2569 5.1526 View CSV PDB