Project name: R607C_5

Status: done

Started: 2026-05-22 01:14:33
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCCCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:52)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:52)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:35:56)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/80e8277d58f0b61/tmp/folded.pdb                (00:35:56)
[INFO]       Main:     Simulation completed successfully.                                          (01:25:13)
Show buried residues

Minimal score value
-2.6596
Maximal score value
2.5734
Average score
-0.2769
Total score value
-642.7588

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 0.9680
2 G A -0.3210
3 P A -0.4314
4 G A -0.5043
5 A A -0.4562
6 R A -1.9249
7 G A -1.1926
8 R A -2.3164
9 R A -2.6596
10 R A -2.6059
11 R A -2.6187
12 R A -2.6424
13 R A -2.2455
14 P A -0.4101
15 M A 0.9644
16 S A -0.0563
17 P A -0.3512
18 P A -0.3606
19 P A -0.3547
20 P A -0.3538
21 P A -0.3516
22 P A -0.3506
23 P A 0.0263
24 V A 1.3903
25 R A -1.5116
26 A A 0.0102
27 L A 1.5122
28 P A 0.3115
29 L A 1.7852
30 L A 2.1168
31 L A 2.1211
32 L A 2.1233
33 L A 1.8453
34 A A 0.2596
35 G A -0.5018
36 P A -0.4264
37 G A -0.5031
38 A A -0.0168
39 A A 0.0800
40 A A 0.0298
41 P A -0.2470
42 P A -0.2222
43 C A 0.4480
44 L A 1.2640
45 D A -1.5961
46 G A -0.8243
47 S A -0.2732
48 P A -0.0446
49 C A -0.1111
50 A A -0.1192
51 N A -0.8907
52 G A -0.6119
53 G A 0.0000
54 R A -1.8284
55 C A -0.2484
56 T A -0.1775
57 Q A -0.8194
58 L A 0.5134
59 P A -0.1613
60 S A -0.5848
61 R A -2.2152
62 E A -2.1563
63 A A -0.4442
64 A A 0.0272
65 C A 0.3835
66 L A 1.6074
67 C A 0.5121
68 P A -0.0713
69 P A -0.2804
70 G A -0.0939
71 W A 0.0621
72 V A 0.2905
73 G A -0.3705
74 E A -2.0904
75 R A -1.7441
76 C A 0.0000
77 Q A -1.1318
78 L A -0.1854
79 E A -1.7633
80 D A -0.5919
81 P A -0.0717
82 C A -0.0768
83 H A -1.0090
84 S A -0.4759
85 G A -0.5156
86 P A -0.1327
87 C A -0.0053
88 A A -0.0467
89 G A -0.7918
90 R A -1.9406
91 G A -0.0554
92 V A 1.7877
93 C A 0.3079
94 Q A -0.9769
95 S A -0.1700
96 S A -0.1061
97 V A 0.8977
98 V A 1.8961
99 A A 0.2978
100 G A -0.4646
101 T A -0.1326
102 A A 0.0000
103 R A -1.7127
104 F A 0.2111
105 S A -0.0860
106 C A -0.2814
107 R A -1.7859
108 C A -0.1303
109 P A -0.3341
110 R A -1.8635
111 G A -0.2960
112 F A 0.6253
113 R A -0.2847
114 G A -0.2624
115 P A -0.3934
116 D A -0.6647
117 C A 0.0000
118 S A -0.0274
119 L A 0.6968
120 P A -0.0581
121 D A -0.2971
122 P A -0.0639
123 C A 0.2231
124 L A 0.7875
125 S A -0.1030
126 S A -0.2589
127 P A -0.0683
128 C A 0.0745
129 A A -0.1253
130 H A -0.9237
131 G A -0.6161
132 A A -0.3986
133 R A -1.8292
134 C A -0.2893
135 S A -0.0151
136 V A 0.6984
137 G A 0.0000
138 P A -0.5779
139 D A -1.8484
140 G A -0.6979
141 R A -1.6498
142 F A 0.2365
143 L A 1.0891
144 C A 0.2571
145 S A -0.1614
146 C A 0.1283
147 P A -0.0825
148 P A -0.2775
149 G A -0.0898
150 Y A -0.1836
151 Q A -1.2598
152 G A -1.0322
153 R A -1.9309
154 S A 0.0000
155 C A 0.0000
156 R A -1.8836
157 S A -0.6973
158 D A -0.7149
159 V A 0.1629
160 D A -0.3976
161 E A -0.8391
162 C A -0.3517
163 R A -1.4994
164 V A 1.3953
165 G A -0.2342
166 E A -1.8728
167 P A -0.3901
168 C A 0.0000
169 R A -1.9963
170 H A -1.2539
171 G A -0.6269
172 G A -0.1270
173 T A -0.0584
174 C A 0.2325
175 L A 0.5008
176 N A -0.4015
177 T A 0.0000
178 P A -0.2691
179 G A -0.1616
180 S A -0.0925
181 F A -0.0410
182 R A -1.7514
183 C A -0.4591
184 Q A -1.1400
185 C A -0.0256
186 P A -0.0528
187 A A 0.0237
188 G A -0.0018
189 Y A 0.3376
190 T A 0.0247
191 G A -0.1994
192 P A -0.1923
193 L A 0.4568
194 C A 0.0000
195 E A -0.9980
196 N A -1.3034
197 P A -0.3972
198 A A 0.2510
199 V A 1.3009
200 P A 0.2384
201 C A 0.1307
202 A A -0.0090
203 P A -0.2679
204 S A -0.1805
205 P A -0.0576
206 C A -0.3038
207 R A -2.0051
208 N A -1.3714
209 G A -0.6453
210 G A -0.1145
211 T A -0.0609
212 C A -0.2485
213 R A -2.0510
214 Q A -1.5147
215 S A -0.4048
216 G A -0.5290
217 D A -1.6067
218 L A 0.8484
219 T A 0.2246
220 Y A -0.0595
221 D A -1.6541
222 C A 0.0000
223 A A 0.0647
224 C A 0.3851
225 L A 0.8724
226 P A -0.1046
227 G A -0.2762
228 F A -0.1811
229 E A -1.8320
230 G A -0.8408
231 Q A -1.2910
232 N A -0.4314
233 C A 0.0000
234 E A -0.6391
235 V A 0.8688
236 N A -0.0828
237 V A 0.1970
238 D A -1.7643
239 D A -0.7966
240 C A -0.0425
241 P A -0.3243
242 G A -0.6004
243 H A -0.9030
244 R A -1.9320
245 C A 0.0000
246 L A 1.2551
247 N A -0.6332
248 G A -0.6198
249 G A -0.1204
250 T A -0.0620
251 C A 0.3013
252 V A 1.0440
253 D A -0.4714
254 G A 0.0768
255 V A 1.5358
256 N A -0.8602
257 T A -0.2390
258 Y A -0.1281
259 N A -1.2170
260 C A -0.3674
261 Q A -1.1513
262 C A -0.0668
263 P A -0.0702
264 P A -0.3694
265 E A -0.6095
266 W A 0.0114
267 T A -0.0578
268 G A -0.5333
269 Q A -1.2059
270 F A 0.0568
271 C A 0.0000
272 T A -0.4053
273 E A -1.8997
274 D A -0.6478
275 V A -0.0794
276 D A -1.0198
277 E A -0.2683
278 C A -0.1526
279 Q A -0.8966
280 L A 1.0842
281 Q A -0.9623
282 P A -0.7002
283 N A -1.3176
284 A A -0.2217
285 C A 0.0000
286 H A -1.0561
287 N A -1.0497
288 G A -0.6207
289 G A -0.1272
290 T A -0.0464
291 C A 0.4764
292 F A 1.8264
293 N A -0.2294
294 T A 0.0832
295 L A 1.5051
296 G A 0.0429
297 G A -0.1838
298 H A -0.5159
299 S A -0.2614
300 C A 0.3971
301 V A 1.8245
302 C A 0.5867
303 V A 0.2303
304 N A -1.1942
305 G A 0.0000
306 W A 0.1210
307 T A -0.0347
308 G A -0.5419
309 E A -1.8699
310 S A -0.3972
311 C A 0.0000
312 S A -0.4313
313 Q A -1.3092
314 N A -0.3960
315 I A 0.6644
316 D A -1.6744
317 D A -0.7525
318 C A 0.0560
319 A A 0.0684
320 T A -0.0587
321 A A 0.3359
322 V A 1.7958
323 C A 0.6651
324 F A 0.8691
325 H A -0.8875
326 G A -0.6439
327 A A -0.0605
328 T A -0.0374
329 C A 0.0908
330 H A -0.4224
331 D A -0.8192
332 R A -1.6666
333 V A 1.0745
334 A A 0.2616
335 S A -0.0525
336 F A 0.4163
337 Y A 1.0312
338 C A 0.0000
339 A A 0.0756
340 C A 0.2634
341 P A 0.1526
342 M A 1.0218
343 G A -0.0363
344 K A -0.8422
345 T A -0.1259
346 G A 0.1943
347 L A 1.5886
348 L A 0.6055
349 C A 0.0000
350 H A -0.3978
351 L A -0.1806
352 D A -1.8980
353 D A -0.8411
354 A A -0.0529
355 C A 0.4043
356 V A 1.7052
357 S A -0.1264
358 N A -1.3325
359 P A -0.3350
360 C A 0.0050
361 H A -0.6275
362 E A -2.1995
363 D A -2.1167
364 A A 0.0725
365 I A 2.0399
366 C A 0.1965
367 D A -1.7637
368 T A 0.0000
369 N A -0.2011
370 P A 0.0351
371 V A 1.4961
372 N A -0.9746
373 G A -0.6883
374 R A -1.8671
375 A A 0.0000
376 I A 0.8499
377 C A 0.2420
378 T A -0.0253
379 C A 0.1453
380 P A -0.0415
381 P A -0.2681
382 G A -0.0210
383 F A 0.2264
384 T A -0.1462
385 G A -0.4273
386 G A -0.5236
387 A A -0.0470
388 C A 0.0000
389 D A -2.0058
390 Q A -1.5788
391 D A -0.4232
392 V A 0.0795
393 D A -1.2023
394 E A -0.5152
395 C A 0.0650
396 S A -0.0182
397 I A 0.7873
398 G A -0.2879
399 A A -0.2013
400 N A -0.9456
401 P A -0.2009
402 C A 0.0000
403 E A -1.6253
404 H A -0.7210
405 L A 1.4168
406 G A 0.0000
407 R A -1.9707
408 C A 0.0000
409 V A 0.4982
410 N A -0.2315
411 T A -0.2629
412 Q A -1.2182
413 G A -0.3343
414 S A -0.0596
415 F A 0.7310
416 L A 1.4229
417 C A 0.0000
418 Q A -1.3497
419 C A -0.0430
420 G A -0.5847
421 R A -1.8972
422 G A 0.0000
423 Y A 0.0298
424 T A -0.0317
425 G A -0.1929
426 P A -0.5218
427 R A -1.4015
428 C A 0.0000
429 E A -0.5975
430 T A -0.3782
431 D A -1.1189
432 V A 0.2974
433 N A -0.6173
434 E A -0.4067
435 C A 0.3478
436 L A 1.5316
437 S A -0.0147
438 G A -0.5106
439 P A -0.0997
440 C A -0.1647
441 R A -1.9476
442 N A -1.2047
443 Q A -1.3138
444 A A -0.1954
445 T A -0.0204
446 C A 0.2563
447 L A 0.4653
448 D A -0.9261
449 R A -1.3782
450 I A 1.5658
451 G A 0.0000
452 Q A -1.2590
453 F A 0.1316
454 T A 0.0693
455 C A 0.1602
456 I A 0.4600
457 C A 0.3939
458 M A 0.5960
459 A A 0.1231
460 G A 0.0000
461 F A 0.0000
462 T A -0.0842
463 G A -0.2561
464 T A 0.0178
465 Y A 0.7243
466 C A 0.0000
467 E A -0.5069
468 V A 0.7791
469 D A -1.1755
470 I A 0.3376
471 D A -1.5461
472 E A -0.6829
473 C A -0.1959
474 Q A -1.2203
475 S A -0.4685
476 S A -0.2587
477 P A -0.0687
478 C A 0.2486
479 V A 0.8696
480 N A -0.8126
481 G A -0.6423
482 G A 0.2012
483 V A 1.7864
484 C A 0.2163
485 K A -1.7129
486 D A -2.2863
487 R A -1.8571
488 V A 1.1202
489 N A -0.9842
490 G A -0.1993
491 F A 0.5335
492 S A 0.1241
493 C A 0.1009
494 T A 0.0050
495 C A 0.1354
496 P A -0.1056
497 S A -0.2402
498 G A -0.3002
499 F A 0.0017
500 S A 0.0245
501 G A -0.4013
502 S A -0.2781
503 T A -0.0429
504 C A 0.0000
505 Q A -0.9631
506 L A 0.7378
507 D A -1.4020
508 V A -0.0434
509 D A -1.8398
510 E A -1.2159
511 C A -0.0565
512 A A 0.0376
513 S A -0.2150
514 T A -0.1090
515 P A 0.0000
516 C A 0.0000
517 R A -1.7427
518 N A -1.3139
519 G A -0.6332
520 A A -0.3556
521 K A -1.6854
522 C A -0.1657
523 V A 0.0499
524 D A -1.7125
525 Q A -0.9863
526 P A -0.6912
527 D A -1.8630
528 G A -0.3440
529 Y A -0.1030
530 E A -1.7157
531 C A -0.5763
532 R A -1.7799
533 C A -0.0850
534 A A -0.2611
535 E A -1.8261
536 G A -0.3327
537 F A -0.0850
538 E A -1.8254
539 G A -0.8037
540 T A -0.0600
541 L A 0.5164
542 C A 0.0000
543 D A -2.1234
544 R A -2.2056
545 N A -0.3982
546 V A 0.4011
547 D A -0.9198
548 D A -0.7646
549 C A -0.2481
550 S A -0.2645
551 P A -0.6329
552 D A -1.8274
553 P A -0.3485
554 C A 0.0000
555 H A -1.0759
556 H A -0.6746
557 G A -0.4959
558 R A -1.8604
559 C A 0.0000
560 V A 1.3721
561 D A -1.4117
562 G A -0.1264
563 I A 1.9915
564 A A 0.3520
565 S A -0.0427
566 F A 0.4613
567 S A -0.0551
568 C A 0.0615
569 A A -0.0828
570 C A 0.2378
571 A A 0.0082
572 P A -0.2507
573 G A 0.0000
574 Y A 0.0339
575 T A -0.0591
576 G A -0.2886
577 T A -0.3075
578 R A -1.0632
579 C A 0.0000
580 E A -1.6645
581 S A -0.6475
582 Q A -1.0294
583 V A 0.2904
584 D A -1.1681
585 E A -0.5139
586 C A -0.2827
587 R A -1.8644
588 S A -0.7641
589 Q A -1.2417
590 P A -0.2315
591 C A -0.2940
592 R A -1.8868
593 H A -0.9720
594 G A -0.5754
595 G A -0.4124
596 K A -1.6969
597 C A -0.0790
598 L A 0.4974
599 D A -1.4060
600 L A 0.8713
601 V A 1.6409
602 D A -1.7826
603 K A -1.8404
604 Y A 0.0995
605 L A 1.2388
606 C A 0.3993
607 C A 0.6542
608 C A 0.3417
609 P A -0.0908
610 S A -0.2426
611 G A -0.2774
612 T A 0.0000
613 T A 0.0323
614 G A 0.0831
615 V A 1.6961
616 N A 0.1327
617 C A 0.0000
618 E A -0.4890
619 V A 0.9226
620 N A -0.1250
621 I A 1.0583
622 D A -1.6751
623 D A -1.2341
624 C A 0.0000
625 A A 0.0201
626 S A -0.4283
627 N A -1.3205
628 P A -0.2727
629 C A 0.1128
630 T A 0.1012
631 F A 0.8612
632 G A 0.3331
633 V A 1.7808
634 C A 0.1345
635 R A -1.9157
636 D A -0.7847
637 G A -0.2790
638 I A 0.6228
639 N A -1.4540
640 R A -1.9731
641 Y A -0.0919
642 D A -1.6563
643 C A -0.1237
644 V A 0.6736
645 C A 0.0925
646 Q A -0.9976
647 P A -0.4347
648 G A 0.0000
649 F A -0.0911
650 T A 0.0853
651 G A -0.2000
652 P A -0.1886
653 L A 0.4785
654 C A 0.0000
655 N A -1.0602
656 V A 0.6177
657 E A -1.3814
658 I A 0.5272
659 N A -1.1307
660 E A -0.5436
661 C A 0.0853
662 A A 0.0450
663 S A -0.2407
664 S A -0.2614
665 P A -0.0791
666 C A 0.0472
667 G A -0.4926
668 E A -1.9377
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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 0.7272
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1918 V A -0.1395
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1920 G A -0.7809
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1927 A A 0.0183
1928 S A -0.2363
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1930 A A 0.0000
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1932 V A -0.0805
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1934 A A 0.0000
1935 V A 0.6221
1936 D A 0.0000
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1938 L A 0.3866
1939 G A 0.0569
1940 K A 0.0000
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1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.2204
1946 A A 0.0000
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1948 A A 0.1801
1949 V A 0.7690
1950 N A -0.2387
1951 N A -0.1162
1952 V A 0.0830
1953 E A -1.7399
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6155
1957 A A 0.0000
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1960 K A -1.8585
1961 N A -1.4172
1962 G A -0.6531
1963 A A 0.0000
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1965 K A -0.8244
1966 D A -0.7221
1967 M A -0.0813
1968 Q A -0.7068
1969 D A 0.0000
1970 S A -0.3294
1971 K A -0.9302
1972 E A -1.5121
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 -0.6509
1982 E A -1.0377
1983 G A -0.3320
1984 S A 0.0000
1985 Y A 0.1576
1986 E A -1.6779
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.0834
1990 L A -0.1507
1991 L A 0.0000
1992 L A -0.0032
1993 D A -1.7801
1994 H A -0.2553
1995 F A 1.5295
1996 A A 0.0000
1997 N A -0.4939
1998 R A -0.8370
1999 E A -1.8389
2000 I A -0.0035
2001 T A -0.1444
2002 D A 0.0000
2003 H A -0.7133
2004 L A 1.0488
2005 D A -1.5983
2006 R A -0.7162
2007 L A 0.3460
2008 P A 0.0000
2009 R A -1.0619
2010 D A -0.9103
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.0043
2014 E A -2.2342
2015 R A -1.5092
2016 L A 1.1648
2017 H A -0.1226
2018 Q A -1.3816
2019 D A -1.0454
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2021 V A 0.0000
2022 R A -2.0210
2023 L A 0.0000
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2100 S A 0.0277
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2110 P A 0.0873
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2265 D A -1.6106
2266 W A 0.8204
2267 S A -0.3290
2268 E A -1.8977
2269 S A -0.5594
2270 T A -0.1556
2271 P A -0.3067
2272 S A -0.3051
2273 P A -0.2823
2274 A A -0.0011
2275 T A -0.0493
2276 A A 0.0319
2277 T A -0.1448
2278 G A -0.4686
2279 A A 0.1670
2280 M A 1.0763
2281 A A 0.2653
2282 T A -0.0745
2283 T A -0.0988
2284 T A -0.1991
2285 G A -0.4725
2286 A A 0.2748
2287 L A 1.5094
2288 P A 0.0588
2289 A A -0.2114
2290 Q A -1.2349
2291 P A -0.1845
2292 L A 1.4537
2293 P A 0.3088
2294 L A 1.4604
2295 S A 0.4177
2296 V A 1.6855
2297 P A 0.0230
2298 S A -0.3107
2299 S A 0.0354
2300 L A 1.5218
2301 A A 0.1980
2302 Q A -1.1754
2303 A A -0.4700
2304 Q A -1.1977
2305 T A -0.5255
2306 Q A -0.9100
2307 L A 1.2264
2308 G A -0.2287
2309 P A -0.5808
2310 Q A -1.2961
2311 P A -0.8437
2312 E A -1.5133
2313 V A 1.3937
2314 T A 0.2050
2315 P A -0.5809
2316 K A -2.1804
2317 R A -2.4716
2318 Q A -1.1572
2319 V A 1.8235
2320 L A 1.9205
2321 A A 0.3612
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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 0.0037 4.6642 View CSV PDB
4.5 -0.0285 4.6642 View CSV PDB
5.0 -0.0678 4.6642 View CSV PDB
5.5 -0.1084 4.6642 View CSV PDB
6.0 -0.1453 4.6642 View CSV PDB
6.5 -0.1754 4.6642 View CSV PDB
7.0 -0.1984 4.6642 View CSV PDB
7.5 -0.2166 4.6642 View CSV PDB
8.0 -0.2316 4.6642 View CSV PDB
8.5 -0.243 4.6642 View CSV PDB
9.0 -0.2494 4.6642 View CSV PDB