Project name: C338R_5

Status: done

Started: 2026-05-18 05:16:41
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYRACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:19:04)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/7b8518d2f060730/tmp/folded.pdb                (00:19:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:45:08)
Show buried residues

Minimal score value
-2.6184
Maximal score value
2.6986
Average score
-0.2705
Total score value
-627.8649

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 -0.4239
4 G A -0.5024
5 A A -0.3675
6 R A -1.9174
7 G A -1.1391
8 R A -2.2608
9 R A -2.6061
10 R A -2.6184
11 R A -2.5170
12 R A -2.5062
13 R A -2.2224
14 P A -0.3969
15 M A 0.9683
16 S A -0.0662
17 P A -0.3390
18 P A -0.3466
19 P A -0.3471
20 P A -0.3470
21 P A -0.3470
22 P A -0.3472
23 P A 0.0251
24 V A 1.3897
25 R A -1.5101
26 A A -0.0006
27 L A 1.5121
28 P A 0.3156
29 L A 1.7861
30 L A 2.1205
31 L A 2.1251
32 L A 2.1227
33 L A 1.8431
34 A A 0.2638
35 G A -0.5022
36 P A -0.4281
37 G A -0.5036
38 A A -0.0168
39 A A 0.0767
40 A A 0.0369
41 P A -0.0811
42 P A -0.0705
43 C A 0.3152
44 L A 1.1070
45 D A -1.6173
46 G A -0.8028
47 S A -0.2152
48 P A -0.2564
49 C A -0.0162
50 A A -0.1276
51 N A -0.9561
52 G A -0.6354
53 G A -0.4418
54 R A -1.8298
55 C A -0.2021
56 T A -0.2172
57 Q A -1.0941
58 L A 0.3136
59 P A -0.1889
60 S A -0.5842
61 R A -2.2169
62 E A -2.1596
63 A A 0.0000
64 A A 0.0269
65 C A 0.3778
66 L A 1.6019
67 C A 0.4883
68 P A -0.0720
69 P A -0.2784
70 G A -0.0896
71 W A 0.0350
72 V A 0.2732
73 G A -0.3631
74 E A -1.8990
75 R A -0.6830
76 C A 0.0000
77 Q A -0.5343
78 L A -0.1858
79 E A -1.7856
80 D A -0.5840
81 P A -0.0697
82 C A -0.0809
83 H A -1.0096
84 S A -0.4775
85 G A -0.5156
86 P A -0.1326
87 C A -0.0160
88 A A -0.0470
89 G A -0.7927
90 R A -1.9398
91 G A -0.0799
92 V A 1.6145
93 C A 0.2774
94 Q A -0.7807
95 S A -0.1479
96 S A -0.0721
97 V A 1.0771
98 V A 1.8762
99 A A 0.2883
100 G A -0.4647
101 T A -0.1339
102 A A 0.0000
103 R A -1.7062
104 F A 0.2926
105 S A -0.0695
106 C A -0.2823
107 R A -1.7850
108 C A -0.1304
109 P A -0.3306
110 R A -1.8591
111 G A -0.2176
112 F A 0.9556
113 R A -0.2287
114 G A -0.2636
115 P A -0.4018
116 D A -0.7091
117 C A 0.0000
118 S A 0.0012
119 L A 0.7382
120 P A -0.0101
121 D A -0.3210
122 P A -0.0608
123 C A 0.2988
124 L A 1.1464
125 S A -0.0382
126 S A -0.2594
127 P A -0.0722
128 C A 0.0735
129 A A -0.1326
130 H A -0.9693
131 G A -0.6253
132 A A -0.3936
133 R A -1.8126
134 C A -0.2049
135 S A -0.0502
136 V A 0.7076
137 G A 0.0000
138 P A -0.5796
139 D A -1.8482
140 G A -0.7246
141 R A -1.8100
142 F A 0.2074
143 L A 1.1969
144 C A 0.2873
145 S A -0.1487
146 C A 0.1980
147 P A -0.0690
148 P A -0.2793
149 G A -0.0967
150 Y A -0.1350
151 Q A -1.2541
152 G A -1.0274
153 R A -1.9303
154 S A 0.0000
155 C A 0.0000
156 R A -1.8819
157 S A -0.6459
158 D A -0.5064
159 V A 0.1277
160 D A -0.4645
161 E A -0.7113
162 C A -0.3168
163 R A -1.4981
164 V A 1.4012
165 G A -0.2068
166 E A -1.8678
167 P A -0.3916
168 C A 0.0000
169 R A -1.9990
170 H A -1.2675
171 G A -0.6279
172 G A -0.1199
173 T A -0.0577
174 C A 0.2334
175 L A 0.5101
176 N A -0.3933
177 T A -0.1100
178 P A -0.2703
179 G A -0.1626
180 S A -0.0894
181 F A -0.0376
182 R A -1.7517
183 C A -0.4529
184 Q A -1.1369
185 C A -0.0079
186 P A -0.0535
187 A A 0.0158
188 G A -0.0419
189 Y A 0.3304
190 T A 0.0131
191 G A -0.2013
192 P A -0.1953
193 L A 0.4442
194 C A 0.0000
195 E A -0.7302
196 N A -1.3058
197 P A -0.4064
198 A A 0.3283
199 V A 1.7706
200 P A 0.3290
201 C A 0.1364
202 A A -0.0009
203 P A -0.2642
204 S A -0.1624
205 P A -0.0702
206 C A 0.0000
207 R A -1.9970
208 N A -1.2559
209 G A -0.6246
210 G A -0.1143
211 T A -0.0602
212 C A -0.2319
213 R A -2.0490
214 Q A -1.5099
215 S A -0.4009
216 G A -0.5206
217 D A -1.5391
218 L A 1.2156
219 T A 0.2943
220 Y A -0.0562
221 D A -1.6872
222 C A -0.2310
223 A A 0.0903
224 C A 0.3886
225 L A 0.7971
226 P A -0.1213
227 G A -0.2442
228 F A -0.1669
229 E A -1.8274
230 G A -0.8223
231 Q A -1.2807
232 N A -0.3990
233 C A 0.0000
234 E A -0.8011
235 V A 0.8814
236 N A 0.0250
237 V A 0.5127
238 D A -1.7858
239 D A -1.2274
240 C A -0.1263
241 P A -0.3250
242 G A -0.5976
243 H A -0.8843
244 R A -1.9156
245 C A 0.0201
246 L A 1.2322
247 N A -0.6405
248 G A -0.6114
249 G A 0.0000
250 T A -0.0542
251 C A 0.3018
252 V A 1.0881
253 D A -0.3460
254 G A 0.1502
255 V A 1.5247
256 N A -0.9702
257 T A -0.2356
258 Y A -0.0772
259 N A -1.2116
260 C A -0.3590
261 Q A -1.1521
262 C A -0.0691
263 P A -0.0699
264 P A -0.3619
265 E A -0.5597
266 W A 0.0095
267 T A -0.0746
268 G A -0.5839
269 Q A -1.2137
270 F A 0.0736
271 C A 0.0000
272 T A -0.4030
273 E A -1.8917
274 D A -0.6069
275 V A 0.0195
276 D A -0.5038
277 E A -0.1265
278 C A -0.1735
279 Q A -0.8980
280 L A 1.2249
281 Q A -0.2126
282 P A -0.3311
283 N A -0.3148
284 A A -0.0435
285 C A 0.0000
286 H A -0.7704
287 N A -0.9220
288 G A -0.6077
289 G A -0.1304
290 T A -0.0470
291 C A 0.4599
292 F A 1.8079
293 N A -0.3116
294 T A 0.0713
295 L A 1.5064
296 G A 0.1103
297 G A -0.1624
298 H A -0.4603
299 S A -0.2484
300 C A 0.3990
301 V A 1.8223
302 C A 0.7674
303 V A 1.4158
304 N A -0.4398
305 G A 0.0000
306 W A 0.1307
307 T A -0.0305
308 G A -0.5213
309 E A -1.8611
310 S A -0.3714
311 C A 0.0000
312 S A -0.4076
313 Q A -1.2991
314 N A -0.4336
315 I A 0.2819
316 D A -1.7141
317 D A -0.8714
318 C A 0.0080
319 A A 0.0637
320 T A -0.0590
321 A A 0.3291
322 V A 1.8294
323 C A 0.7705
324 F A 0.6622
325 H A -0.9307
326 G A -0.6463
327 A A 0.0000
328 T A -0.0316
329 C A -0.0123
330 H A -0.6245
331 D A -0.6919
332 R A -0.1138
333 V A 0.6165
334 A A 0.1412
335 S A 0.0852
336 F A 0.8253
337 Y A 1.2726
338 R A 0.0239
339 A A 0.0371
340 C A 0.2379
341 P A 0.1945
342 M A 1.0305
343 G A -0.0083
344 K A -0.7267
345 T A -0.0988
346 G A 0.1774
347 L A 1.4861
348 L A 0.4531
349 C A 0.0000
350 H A -0.1529
351 L A -0.1407
352 D A -1.8751
353 D A -0.7715
354 A A -0.0428
355 C A 0.3704
356 V A 1.5101
357 S A -0.1631
358 N A -1.3327
359 P A -0.3338
360 C A 0.0197
361 H A -0.5184
362 E A -2.1802
363 D A -2.1172
364 A A 0.0736
365 I A 2.0413
366 C A 0.2023
367 D A -1.6280
368 T A 0.0000
369 N A -0.2234
370 P A -0.0705
371 V A 0.7846
372 N A -0.2499
373 G A -0.3216
374 R A -0.9404
375 A A 0.0874
376 I A 1.1794
377 C A 0.3392
378 T A -0.0170
379 C A 0.1686
380 P A -0.0530
381 P A -0.2709
382 G A -0.0289
383 F A 0.1738
384 T A -0.1811
385 G A -0.4645
386 G A -0.5310
387 A A -0.0540
388 C A 0.0000
389 D A -2.0083
390 Q A -1.5903
391 D A -0.4556
392 V A 0.1396
393 D A -0.9102
394 E A -0.4542
395 C A 0.0614
396 S A 0.1815
397 I A 1.8871
398 G A -0.0812
399 A A -0.2263
400 N A -1.0779
401 P A -0.2249
402 C A 0.0000
403 E A -1.6936
404 H A -0.4048
405 L A 1.4778
406 G A 0.0000
407 R A -1.9683
408 C A 0.0000
409 V A 0.5115
410 N A -0.3325
411 T A -0.2823
412 Q A -1.2190
413 G A -0.3381
414 S A -0.0579
415 F A 0.7194
416 L A 1.3664
417 C A 0.0805
418 Q A -1.3314
419 C A -0.0337
420 G A -0.5645
421 R A -1.8936
422 G A 0.0000
423 Y A -0.0609
424 T A -0.0420
425 G A -0.2142
426 P A -0.5596
427 R A -1.5902
428 C A 0.0000
429 E A -1.3462
430 T A -0.6195
431 D A -1.6265
432 V A 0.3694
433 N A -0.5746
434 E A -0.3928
435 C A 0.3286
436 L A 1.5274
437 S A -0.0152
438 G A -0.5109
439 P A -0.1021
440 C A -0.1735
441 R A -1.9517
442 N A -1.2255
443 Q A -1.3177
444 A A -0.1987
445 T A -0.0420
446 C A 0.2227
447 L A 0.2235
448 D A -1.7709
449 R A -1.6927
450 I A 1.2951
451 G A 0.0000
452 Q A -1.1106
453 F A 0.0479
454 T A 0.0519
455 C A 0.3767
456 I A 1.6527
457 C A 0.6173
458 M A 0.6496
459 A A 0.1699
460 G A 0.0000
461 F A -0.0299
462 T A -0.0480
463 G A -0.2586
464 T A 0.0085
465 Y A 0.6727
466 C A 0.0000
467 E A -0.5584
468 V A 0.6710
469 D A -1.4099
470 I A 0.1247
471 D A -1.7218
472 E A -1.1460
473 C A -0.2671
474 Q A -1.2189
475 S A -0.4694
476 S A -0.2586
477 P A -0.0660
478 C A 0.2536
479 V A 0.8868
480 N A -0.7838
481 G A -0.6373
482 G A 0.2019
483 V A 1.7876
484 C A 0.2130
485 K A -1.7528
486 D A -2.3086
487 R A -1.7789
488 V A 1.2044
489 N A -0.9697
490 G A -0.2218
491 F A 0.2003
492 S A 0.0991
493 C A 0.1006
494 T A 0.0009
495 C A 0.1449
496 P A -0.1185
497 S A -0.2463
498 G A -0.3338
499 F A 0.0552
500 S A 0.0335
501 G A -0.3889
502 S A -0.2758
503 T A -0.0411
504 C A 0.0000
505 Q A -0.9678
506 L A 0.6938
507 D A -1.4018
508 V A -0.0404
509 D A -1.8447
510 E A -1.2450
511 C A -0.0650
512 A A 0.0368
513 S A -0.2149
514 T A -0.1158
515 P A -0.0511
516 C A 0.0000
517 R A -1.8982
518 N A -0.7166
519 G A -0.5176
520 A A -0.3557
521 K A -1.6851
522 C A -0.1380
523 V A 0.2254
524 D A -1.6818
525 Q A -1.2479
526 P A -0.7386
527 D A -1.8665
528 G A -0.4232
529 Y A 0.0516
530 E A -1.3845
531 C A -0.5173
532 R A -1.7801
533 C A -0.0743
534 A A -0.2571
535 E A -1.8271
536 G A -0.3464
537 F A -0.0582
538 E A -1.1392
539 G A -0.5401
540 T A -0.0060
541 L A 0.6702
542 C A 0.0000
543 D A -2.1232
544 R A -2.2620
545 N A -0.6653
546 V A 0.4298
547 D A -1.7824
548 D A -1.1140
549 C A -0.2755
550 S A -0.2620
551 P A -0.6317
552 D A -1.8260
553 P A -0.3500
554 C A 0.0000
555 H A -1.0727
556 H A -0.6593
557 G A -0.5103
558 R A -1.8675
559 C A 0.0000
560 V A 1.5929
561 D A -0.5858
562 G A 0.0314
563 I A 1.9932
564 A A 0.3631
565 S A -0.0586
566 F A 0.4169
567 S A -0.0847
568 C A 0.0629
569 A A 0.1161
570 C A 0.2569
571 A A 0.0257
572 P A -0.2609
573 G A -0.3228
574 Y A 0.0422
575 T A -0.0434
576 G A -0.2634
577 T A -0.3162
578 R A -1.1368
579 C A 0.0000
580 E A -1.6275
581 S A -0.6290
582 Q A -1.0935
583 V A 0.0687
584 D A -1.3515
585 E A -1.1114
586 C A -0.3986
587 R A -1.8668
588 S A -0.7645
589 Q A -1.2434
590 P A -0.2455
591 C A -0.3131
592 R A -1.9178
593 H A -0.8981
594 G A -0.5615
595 G A -0.4165
596 K A -1.6955
597 C A -0.1713
598 L A 0.0082
599 D A -1.5378
600 L A 0.6926
601 V A 1.6059
602 D A -1.7837
603 K A -1.8813
604 Y A -0.0578
605 L A 1.0103
606 C A 0.0000
607 R A -1.7977
608 C A -0.1109
609 P A -0.0936
610 S A -0.2450
611 G A -0.3072
612 T A 0.0000
613 T A -0.0872
614 G A 0.0756
615 V A 1.6723
616 N A 0.0147
617 C A 0.0000
618 E A -0.3806
619 V A 0.9912
620 N A -0.2938
621 I A 0.6680
622 D A -1.7276
623 D A -1.1340
624 C A 0.0000
625 A A 0.0212
626 S A -0.4302
627 N A -1.3187
628 P A -0.2583
629 C A 0.1401
630 T A 0.1271
631 F A 0.9271
632 G A 0.3669
633 V A 1.7828
634 C A 0.1337
635 R A -1.9392
636 D A -0.9120
637 G A -0.3402
638 I A 0.1388
639 N A -1.5502
640 R A -1.9680
641 Y A -0.1029
642 D A -1.6574
643 C A -0.1488
644 V A 0.5350
645 C A 0.0733
646 Q A -0.9600
647 P A -0.5925
648 G A -0.3251
649 F A -0.0158
650 T A -0.0198
651 G A -0.2079
652 P A -0.1463
653 L A 0.7284
654 C A 0.0000
655 N A -0.9175
656 V A 1.2181
657 E A -1.3253
658 I A 0.1902
659 N A -1.2687
660 E A -0.9553
661 C A -0.0146
662 A A 0.0393
663 S A -0.2408
664 S A -0.2618
665 P A -0.0825
666 C A 0.0449
667 G A -0.4270
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1906 G A 0.0000
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1911 I A 0.0000
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1914 A A 0.0000
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1916 L A 0.4585
1917 A A 0.1181
1918 V A 0.0000
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1920 G A -0.6488
1921 M A 0.0000
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1928 S A -0.2314
1929 H A -1.0004
1930 A A 0.0000
1931 D A -1.1540
1932 V A -0.0440
1933 N A -0.3176
1934 A A 0.0403
1935 V A 0.5368
1936 D A 0.0000
1937 E A -1.7151
1938 L A 0.2392
1939 G A 0.0835
1940 K A 0.0000
1941 S A 0.0000
1942 A A 0.0000
1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.1926
1946 A A 0.0000
1947 A A 0.0000
1948 A A 0.1817
1949 V A 0.7735
1950 N A -0.3309
1951 N A -0.1282
1952 V A 0.1184
1953 E A -1.7333
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.4971
1957 A A 0.0000
1958 L A 0.0000
1959 L A 0.0000
1960 K A -1.3334
1961 N A -0.5594
1962 G A -0.5100
1963 A A 0.0000
1964 N A -1.3817
1965 K A -0.9614
1966 D A -0.8124
1967 M A -0.0759
1968 Q A -0.7194
1969 D A 0.0000
1970 S A -0.3424
1971 K A -1.0000
1972 E A -1.5209
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 -0.4355
1982 E A -0.6169
1983 G A -0.2514
1984 S A 0.0000
1985 Y A 0.0962
1986 E A -1.2240
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.2226
1990 L A -0.1910
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8152
1994 H A -0.2705
1995 F A 1.7376
1996 A A 0.0000
1997 N A -0.7761
1998 R A -0.8020
1999 E A -1.8252
2000 I A -0.0165
2001 T A -0.1056
2002 D A 0.0000
2003 H A -0.6402
2004 L A 1.0638
2005 D A -1.5989
2006 R A -0.7220
2007 L A 0.3006
2008 P A 0.0000
2009 R A -0.8736
2010 D A -1.1809
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.3618
2014 E A -2.0751
2015 R A -0.2651
2016 L A 1.3464
2017 H A -0.1351
2018 Q A -1.4274
2019 D A -1.2770
2020 I A 0.0000
2021 V A 0.0000
2022 R A -1.9623
2023 L A 0.0000
2024 L A 0.0000
2025 D A -1.5363
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2028 S A -0.2367
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2100 S A -0.1693
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2102 V A 1.3892
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2110 P A -0.2293
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2268 E A -1.9026
2269 S A -0.5960
2270 T A -0.1581
2271 P A -0.3066
2272 S A -0.3067
2273 P A -0.2840
2274 A A -0.0014
2275 T A -0.0494
2276 A A 0.0325
2277 T A -0.1500
2278 G A -0.4682
2279 A A 0.1717
2280 M A 1.0767
2281 A A 0.2569
2282 T A -0.0738
2283 T A -0.0986
2284 T A -0.1791
2285 G A -0.4694
2286 A A 0.2642
2287 L A 1.5101
2288 P A 0.0522
2289 A A -0.2154
2290 Q A -1.2400
2291 P A -0.2118
2292 L A 1.4493
2293 P A 0.3381
2294 L A 1.4615
2295 S A 0.4735
2296 V A 1.6746
2297 P A 0.0525
2298 S A -0.3111
2299 S A 0.0159
2300 L A 1.5215
2301 A A 0.1042
2302 Q A -1.1733
2303 A A -0.4015
2304 Q A -1.2032
2305 T A -0.5891
2306 Q A -0.9189
2307 L A 1.2324
2308 G A -0.2231
2309 P A -0.5705
2310 Q A -1.3012
2311 P A -0.8628
2312 E A -1.5442
2313 V A 1.4253
2314 T A 0.2183
2315 P A -0.5811
2316 K A -2.1858
2317 R A -2.4849
2318 Q A -1.2201
2319 V A 1.8920
2320 L A 1.9595
2321 A A 0.3441
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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 0.0021 5.0014 View CSV PDB
4.5 -0.0301 5.0014 View CSV PDB
5.0 -0.0688 5.0014 View CSV PDB
5.5 -0.1084 5.0014 View CSV PDB
6.0 -0.1441 5.0014 View CSV PDB
6.5 -0.1729 5.0014 View CSV PDB
7.0 -0.195 5.0014 View CSV PDB
7.5 -0.2123 5.0014 View CSV PDB
8.0 -0.2264 5.0014 View CSV PDB
8.5 -0.2368 5.0014 View CSV PDB
9.0 -0.2423 5.0014 View CSV PDB