Project name: R640C_5

Status: done

Started: 2026-05-22 01:15:11
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINCYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:51)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:52)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:35:43)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/4af2bfcfe30ea2e/tmp/folded.pdb                (00:35:43)
[INFO]       Main:     Simulation completed successfully.                                          (01:24:52)
Show buried residues

Minimal score value
-2.5269
Maximal score value
2.2335
Average score
-0.281
Total score value
-652.1265

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 0.9673
2 G A -0.3186
3 P A -0.4272
4 G A -0.5030
5 A A -0.3629
6 R A -1.9194
7 G A -1.1446
8 R A -2.2661
9 R A -2.5196
10 R A -2.5229
11 R A -2.5222
12 R A -2.5228
13 R A -2.2312
14 P A -0.3990
15 M A 0.9763
16 S A -0.0110
17 P A -0.3310
18 P A -0.3485
19 P A -0.3486
20 P A -0.3483
21 P A -0.3487
22 P A -0.3487
23 P A 0.0272
24 V A 1.3811
25 R A -1.5019
26 A A 0.0001
27 L A 1.5114
28 P A 0.3230
29 L A 1.7906
30 L A 2.1276
31 L A 2.1227
32 L A 2.1175
33 L A 1.8427
34 A A 0.2648
35 G A -0.5012
36 P A -0.4269
37 G A -0.5034
38 A A -0.0174
39 A A 0.0803
40 A A 0.0581
41 P A -0.0984
42 P A -0.3362
43 C A 0.0000
44 L A -0.0464
45 D A -1.8219
46 G A -0.8397
47 S A -0.2190
48 P A -0.2543
49 C A -0.0240
50 A A -0.1248
51 N A -0.9780
52 G A -0.6388
53 G A -0.4436
54 R A -1.8376
55 C A -0.2533
56 T A -0.2236
57 Q A -1.0885
58 L A 0.3370
59 P A -0.1547
60 S A -0.4230
61 R A -2.1904
62 E A -2.1617
63 A A 0.0000
64 A A 0.0089
65 C A 0.0000
66 L A 1.4377
67 C A 0.4711
68 P A -0.0711
69 P A -0.2775
70 G A -0.0791
71 W A 0.0554
72 V A 0.2760
73 G A -0.3627
74 E A -1.9359
75 R A -0.8892
76 C A 0.0000
77 Q A -0.5483
78 L A -0.1799
79 E A -1.7819
80 D A -0.5892
81 P A -0.0714
82 C A -0.0784
83 H A -1.0094
84 S A -0.4769
85 G A -0.5151
86 P A -0.1287
87 C A -0.0390
88 A A -0.0210
89 G A -0.6550
90 R A -1.9144
91 G A -0.0446
92 V A 1.7894
93 C A 0.2998
94 Q A -1.0143
95 S A -0.1789
96 S A -0.0537
97 V A 0.8452
98 V A 1.7310
99 A A 0.2693
100 G A -0.4644
101 T A -0.1316
102 A A 0.0000
103 R A -1.6031
104 F A 0.1793
105 S A -0.0958
106 C A -0.2790
107 R A -1.7842
108 C A -0.1298
109 P A -0.3650
110 R A -1.8720
111 G A -0.2738
112 F A 0.9219
113 R A -0.2089
114 G A -0.2589
115 P A -0.4651
116 D A -1.0566
117 C A 0.0000
118 S A -0.0418
119 L A 0.8536
120 P A -0.0215
121 D A -0.4716
122 P A -0.0934
123 C A 0.2146
124 L A 0.5662
125 S A -0.1438
126 S A -0.2595
127 P A -0.0718
128 C A 0.0684
129 A A -0.1169
130 H A -0.8692
131 G A -0.6066
132 A A -0.3889
133 R A -1.8125
134 C A -0.2093
135 S A -0.0418
136 V A 0.7645
137 G A 0.0000
138 P A -0.5780
139 D A -1.8469
140 G A -0.7185
141 R A -1.7854
142 F A 0.2784
143 L A 0.8947
144 C A 0.2259
145 S A -0.1459
146 C A 0.2151
147 P A -0.0693
148 P A -0.2882
149 G A -0.1480
150 Y A -0.1723
151 Q A -1.2566
152 G A -1.0300
153 R A -1.9403
154 S A -0.3790
155 C A 0.0000
156 R A -1.8831
157 S A -0.6832
158 D A -0.6509
159 V A 0.2483
160 D A -0.4167
161 E A -1.1633
162 C A -0.4107
163 R A -1.4995
164 V A 1.4005
165 G A -0.2109
166 E A -1.8669
167 P A -0.3853
168 C A 0.0000
169 R A -2.0035
170 H A -1.2997
171 G A -0.6358
172 G A -0.1275
173 T A -0.0578
174 C A 0.2061
175 L A 0.3486
176 N A -0.3878
177 T A -0.0984
178 P A -0.2761
179 G A -0.2036
180 S A -0.1046
181 F A 0.0620
182 R A -1.7351
183 C A -0.4552
184 Q A -1.1398
185 C A -0.0203
186 P A -0.0580
187 A A 0.0176
188 G A -0.0292
189 Y A 0.3366
190 T A 0.0116
191 G A -0.2001
192 P A -0.2103
193 L A 0.3562
194 C A 0.0000
195 E A -0.7401
196 N A -1.2661
197 P A -0.3952
198 A A 0.2676
199 V A 1.4370
200 P A 0.2594
201 C A 0.1386
202 A A -0.0014
203 P A -0.2639
204 S A -0.1652
205 P A -0.0655
206 C A 0.0000
207 R A -2.0062
208 N A -1.3084
209 G A -0.6340
210 G A -0.1131
211 T A -0.0599
212 C A -0.2328
213 R A -2.0224
214 Q A -1.3647
215 S A -0.3792
216 G A -0.5433
217 D A -1.5527
218 L A 1.1584
219 T A 0.2694
220 Y A -0.0464
221 D A -1.6882
222 C A -0.2306
223 A A 0.0857
224 C A 0.4086
225 L A 0.8857
226 P A -0.1055
227 G A -0.2600
228 F A -0.2569
229 E A -1.8192
230 G A -0.7840
231 Q A -1.2940
232 N A -0.5138
233 C A 0.0000
234 E A -1.0618
235 V A 0.4927
236 N A -0.7519
237 V A 0.4927
238 D A -1.7686
239 D A -1.2466
240 C A -0.1242
241 P A -0.3244
242 G A -0.5990
243 H A -0.8939
244 R A -1.9302
245 C A 0.0000
246 L A 0.8941
247 N A -0.7376
248 G A -0.6268
249 G A -0.1188
250 T A -0.0624
251 C A 0.2744
252 V A 0.9445
253 D A -0.2909
254 G A 0.1591
255 V A 1.5234
256 N A -0.9713
257 T A -0.2328
258 Y A -0.0562
259 N A -1.2091
260 C A -0.3593
261 Q A -1.1500
262 C A -0.0651
263 P A -0.0681
264 P A -0.3876
265 E A -0.7032
266 W A -0.0266
267 T A -0.0580
268 G A -0.5007
269 Q A -1.2012
270 F A 0.0482
271 C A 0.0000
272 T A -0.4046
273 E A -1.9045
274 D A -0.6746
275 V A -0.0792
276 D A -1.0569
277 E A -0.3633
278 C A -0.1700
279 Q A -0.8949
280 L A 1.0833
281 Q A -0.9157
282 P A -0.6911
283 N A -1.3175
284 A A -0.2214
285 C A 0.0000
286 H A -1.0064
287 N A -1.0698
288 G A -0.6272
289 G A -0.1305
290 T A -0.0445
291 C A 0.4800
292 F A 1.8585
293 N A -0.2604
294 T A 0.0931
295 L A 1.5093
296 G A 0.1068
297 G A -0.1780
298 H A -0.5331
299 S A -0.2567
300 C A 0.3994
301 V A 1.8242
302 C A 0.6789
303 V A 0.7586
304 N A -1.0973
305 G A 0.0000
306 W A 0.1300
307 T A -0.0315
308 G A -0.5270
309 E A -1.8680
310 S A -0.4028
311 C A 0.0000
312 S A -0.4139
313 Q A -1.2986
314 N A -0.3883
315 I A 0.4987
316 D A -1.7339
317 D A -0.8973
318 C A 0.0596
319 A A 0.0741
320 T A -0.0586
321 A A 0.3389
322 V A 1.7945
323 C A 0.6508
324 F A 0.8152
325 H A -0.8969
326 G A -0.6444
327 A A -0.0585
328 T A -0.0370
329 C A 0.0563
330 H A -0.5373
331 D A -0.8443
332 R A -1.7437
333 V A 0.7417
334 A A 0.2097
335 S A -0.2164
336 F A 0.5770
337 Y A 1.2845
338 C A 0.0000
339 A A 0.0815
340 C A 0.2773
341 P A 0.1493
342 M A 1.0242
343 G A 0.0193
344 K A -0.6744
345 T A -0.0971
346 G A 0.1802
347 L A 1.5965
348 L A 0.6286
349 C A 0.0000
350 H A -0.4138
351 L A -0.1726
352 D A -1.8608
353 D A -0.7461
354 A A -0.0389
355 C A 0.3774
356 V A 1.5115
357 S A -0.1624
358 N A -1.3305
359 P A -0.3225
360 C A 0.0333
361 H A -0.4808
362 E A -2.1730
363 D A -2.1168
364 A A 0.0751
365 I A 2.0436
366 C A 0.2145
367 D A -1.7601
368 T A 0.0000
369 N A -0.3084
370 P A 0.0085
371 V A 1.5399
372 N A -0.7157
373 G A -0.5724
374 R A -1.8510
375 A A -0.1058
376 I A 1.2329
377 C A 0.3164
378 T A -0.0185
379 C A 0.1798
380 P A -0.0361
381 P A -0.2770
382 G A -0.0758
383 F A 0.2088
384 T A -0.0552
385 G A -0.4666
386 G A -0.5306
387 A A -0.0503
388 C A 0.0000
389 D A -2.0079
390 Q A -1.5862
391 D A -0.4652
392 V A -0.0011
393 D A -1.3732
394 E A -1.0798
395 C A -0.0121
396 S A 0.1851
397 I A 1.8875
398 G A -0.0819
399 A A -0.2344
400 N A -1.1296
401 P A -0.2319
402 C A 0.0000
403 E A -1.6708
404 H A -0.3694
405 L A 1.4834
406 G A 0.0000
407 R A -1.9677
408 C A 0.0000
409 V A 0.5539
410 N A -0.2099
411 T A -0.2707
412 Q A -1.2181
413 G A -0.3488
414 S A -0.1213
415 F A 0.5829
416 L A 1.3076
417 C A 0.0739
418 Q A -1.3308
419 C A -0.0338
420 G A -0.5577
421 R A -1.9020
422 G A -0.1498
423 Y A -0.0686
424 T A -0.0438
425 G A -0.2161
426 P A -0.5642
427 R A -1.6145
428 C A 0.0000
429 E A -1.4627
430 T A -0.6394
431 D A -1.6562
432 V A 0.2159
433 N A -0.6910
434 E A -0.8982
435 C A 0.2379
436 L A 1.5278
437 S A -0.0171
438 G A -0.5110
439 P A -0.1021
440 C A -0.1556
441 R A -1.9566
442 N A -1.2613
443 Q A -1.3245
444 A A -0.1997
445 T A -0.0406
446 C A 0.2929
447 L A 0.6724
448 D A -0.7060
449 R A -1.0436
450 I A 1.7169
451 G A 0.0000
452 Q A -0.7649
453 F A 0.1259
454 T A 0.0580
455 C A 0.4195
456 I A 1.8566
457 C A 0.6551
458 M A 0.6437
459 A A 0.1590
460 G A -0.2173
461 F A -0.0543
462 T A -0.0523
463 G A -0.2776
464 T A 0.0177
465 Y A 0.7438
466 C A 0.0000
467 E A -0.5271
468 V A 0.7626
469 D A -1.3875
470 I A 0.1666
471 D A -1.8341
472 E A -1.3796
473 C A -0.3077
474 Q A -1.2189
475 S A -0.4675
476 S A -0.2596
477 P A -0.0741
478 C A 0.2496
479 V A 0.8795
480 N A -0.7936
481 G A -0.6386
482 G A 0.2013
483 V A 1.7881
484 C A 0.2593
485 K A -1.5216
486 D A -2.2626
487 R A -1.8450
488 V A 1.2070
489 N A -0.9782
490 G A -0.2173
491 F A 0.4176
492 S A 0.0905
493 C A 0.1023
494 T A 0.0009
495 C A 0.1545
496 P A -0.1117
497 S A -0.2425
498 G A -0.3219
499 F A 0.0345
500 S A -0.1095
501 G A -0.4113
502 S A -0.2794
503 T A -0.0426
504 C A 0.0000
505 Q A -0.9664
506 L A 0.7272
507 D A -1.3721
508 V A 0.1531
509 D A -1.7205
510 E A -0.7434
511 C A 0.0304
512 A A 0.0376
513 S A -0.2149
514 T A -0.1141
515 P A -0.0429
516 C A 0.0000
517 R A -1.6599
518 N A -1.3257
519 G A -0.6376
520 A A -0.3539
521 K A -1.6852
522 C A -0.1416
523 V A 0.1785
524 D A -1.7313
525 Q A -1.2644
526 P A -0.7509
527 D A -1.8633
528 G A -0.4178
529 Y A -0.0287
530 E A -1.5911
531 C A -0.5568
532 R A -1.7807
533 C A -0.0751
534 A A -0.2579
535 E A -1.8274
536 G A -0.3495
537 F A -0.1484
538 E A -1.6356
539 G A -0.6099
540 T A -0.0442
541 L A 0.4422
542 C A 0.0000
543 D A -2.1209
544 R A -2.2748
545 N A -0.7605
546 V A 0.3437
547 D A -1.7767
548 D A -1.0136
549 C A -0.2535
550 S A -0.2641
551 P A -0.6273
552 D A -1.8308
553 P A -0.3485
554 C A -0.2466
555 H A -1.0599
556 H A -0.6605
557 G A -0.5079
558 R A -1.8515
559 C A -0.0378
560 V A 0.9428
561 D A -0.6735
562 G A 0.0256
563 I A 1.9898
564 A A 0.3495
565 S A -0.0632
566 F A 0.4910
567 S A -0.0719
568 C A 0.0707
569 A A 0.1072
570 C A 0.2535
571 A A 0.0287
572 P A -0.2614
573 G A -0.2636
574 Y A 0.2428
575 T A -0.0299
576 G A -0.2790
577 T A -0.3200
578 R A -1.1340
579 C A 0.0000
580 E A -1.8439
581 S A -0.5899
582 Q A -0.5713
583 V A 0.3222
584 D A -1.1321
585 E A -0.8111
586 C A 0.0000
587 R A -1.8837
588 S A -0.7706
589 Q A -1.2434
590 P A -0.2579
591 C A 0.0000
592 R A -1.9118
593 H A -0.7897
594 G A -0.5423
595 G A -0.4208
596 K A -1.7104
597 C A 0.0000
598 L A 0.1031
599 D A -1.5800
600 L A 0.3426
601 V A 1.5400
602 D A -1.7787
603 K A -1.9115
604 Y A 0.0328
605 L A 1.4114
606 C A 0.0108
607 R A -1.7748
608 C A -0.0782
609 P A -0.0795
610 S A -0.2499
611 G A -0.1531
612 T A -0.1030
613 T A -0.0863
614 G A 0.0782
615 V A 1.6850
616 N A 0.0687
617 C A 0.0000
618 E A -0.3062
619 V A 0.9346
620 N A 0.0320
621 I A 1.5882
622 D A -1.5980
623 D A -1.2948
624 C A 0.0000
625 A A 0.0208
626 S A -0.4202
627 N A -1.3250
628 P A -0.2985
629 C A 0.1535
630 T A 0.2179
631 F A 1.5661
632 G A 0.5882
633 V A 1.7798
634 C A 0.1098
635 R A -1.9167
636 D A -0.7545
637 G A 0.1638
638 I A 0.6447
639 N A -0.9732
640 C A 0.6237
641 Y A 0.5220
642 D A -1.6471
643 C A 0.0000
644 V A 0.6287
645 C A 0.0663
646 Q A -1.0203
647 P A -0.6103
648 G A -0.0736
649 F A -0.0665
650 T A -0.0235
651 G A -0.2066
652 P A -0.1140
653 L A 0.8912
654 C A 0.0000
655 N A -0.9664
656 V A 1.2340
657 E A -1.2625
658 I A 0.6801
659 N A -1.1127
660 E A -0.5524
661 C A 0.0560
662 A A 0.0402
663 S A -0.2400
664 S A -0.2677
665 P A -0.1211
666 C A 0.0283
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1941 S A 0.0000
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1945 W A 0.1771
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1950 N A -0.3123
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1952 V A 0.1131
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1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5574
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1967 M A -0.0890
1968 Q A -1.0281
1969 D A 0.0000
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1971 K A -1.0723
1972 E A -1.8689
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
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1979 A A 0.0000
1980 A A 0.0000
1981 R A -0.7740
1982 E A -1.7386
1983 G A -0.4511
1984 S A 0.0000
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1986 E A -1.5528
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.1142
1990 L A -0.0132
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8504
1994 H A -0.3979
1995 F A 1.4199
1996 A A 0.0000
1997 N A -0.4961
1998 R A -0.8539
1999 E A -1.8454
2000 I A -0.0212
2001 T A 0.0396
2002 D A 0.0000
2003 H A -0.6281
2004 L A 0.9551
2005 D A -0.2416
2006 R A -0.3805
2007 L A 0.2566
2008 P A 0.0000
2009 R A -1.0278
2010 D A -0.7226
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.9089
2014 E A -2.2834
2015 R A -1.8928
2016 L A 1.1042
2017 H A -0.1478
2018 Q A -1.3870
2019 D A -1.0499
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2021 V A 0.0000
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2265 D A -1.6229
2266 W A 0.8130
2267 S A -0.3354
2268 E A -1.9046
2269 S A -0.5683
2270 T A -0.1676
2271 P A -0.3162
2272 S A -0.3237
2273 P A -0.2875
2274 A A -0.0065
2275 T A -0.0456
2276 A A 0.0282
2277 T A -0.1801
2278 G A -0.4738
2279 A A 0.2335
2280 M A 1.0794
2281 A A 0.2525
2282 T A -0.0759
2283 T A -0.1002
2284 T A -0.2037
2285 G A -0.4737
2286 A A 0.2619
2287 L A 1.5022
2288 P A 0.0993
2289 A A -0.2155
2290 Q A -1.2429
2291 P A -0.2010
2292 L A 1.4488
2293 P A 0.3140
2294 L A 1.4545
2295 S A 0.4743
2296 V A 1.6797
2297 P A 0.0493
2298 S A -0.3141
2299 S A 0.1217
2300 L A 1.5074
2301 A A 0.0527
2302 Q A -1.1716
2303 A A -0.4238
2304 Q A -1.2034
2305 T A -0.5804
2306 Q A -0.8448
2307 L A 1.1710
2308 G A -0.2088
2309 P A -0.6103
2310 Q A -1.3047
2311 P A -0.9337
2312 E A -1.5253
2313 V A 1.3917
2314 T A 0.2511
2315 P A -0.5888
2316 K A -2.1325
2317 R A -2.4897
2318 Q A -1.3056
2319 V A 1.8278
2320 L A 1.8852
2321 A A 0.3425
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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 0.0063 4.6616 View CSV PDB
4.5 -0.0265 4.6616 View CSV PDB
5.0 -0.0665 4.6616 View CSV PDB
5.5 -0.1078 4.6616 View CSV PDB
6.0 -0.145 4.6616 View CSV PDB
6.5 -0.175 4.6616 View CSV PDB
7.0 -0.1977 4.6616 View CSV PDB
7.5 -0.2157 4.6616 View CSV PDB
8.0 -0.2306 4.6616 View CSV PDB
8.5 -0.242 4.6616 View CSV PDB
9.0 -0.2486 4.6616 View CSV PDB