Project name: C511Y_5

Status: done

Started: 2026-05-19 00:24:11
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDEYASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:33)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:33)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:32:57)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/871afe419ac28f8/tmp/folded.pdb                (00:32:57)
[INFO]       Main:     Simulation completed successfully.                                          (01:15:03)
Show buried residues

Minimal score value
-2.5233
Maximal score value
2.4989
Average score
-0.2762
Total score value
-640.9819

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 0.9692
2 G A -0.3238
3 P A -0.4305
4 G A -0.5039
5 A A -0.3609
6 R A -1.9174
7 G A -1.1334
8 R A -2.2556
9 R A -2.5016
10 R A -2.5089
11 R A -2.5131
12 R A -2.5147
13 R A -2.2262
14 P A -0.3978
15 M A 0.9673
16 S A -0.0649
17 P A -0.3395
18 P A -0.3471
19 P A -0.3472
20 P A -0.3473
21 P A -0.3472
22 P A -0.3472
23 P A 0.0242
24 V A 1.3901
25 R A -1.5104
26 A A 0.0005
27 L A 1.5121
28 P A 0.3114
29 L A 1.7855
30 L A 2.1136
31 L A 2.1086
32 L A 2.1129
33 L A 1.8441
34 A A 0.2643
35 G A -0.5017
36 P A -0.4250
37 G A -0.5024
38 A A -0.0168
39 A A 0.0781
40 A A 0.0309
41 P A -0.1890
42 P A -0.2532
43 C A 0.3887
44 L A 1.2450
45 D A -1.5870
46 G A -0.8124
47 S A -0.2256
48 P A -0.0997
49 C A 0.0000
50 A A -0.1424
51 N A -0.9973
52 G A -0.6328
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1288
57 Q A -0.4711
58 L A 0.5769
59 P A -0.1613
60 S A -0.5851
61 R A -2.1970
62 E A -2.0549
63 A A -0.3859
64 A A 0.0313
65 C A 0.3817
66 L A 1.6101
67 C A 0.5195
68 P A -0.0685
69 P A -0.2774
70 G A -0.0625
71 W A 0.1516
72 V A 0.3081
73 G A -0.3693
74 E A -2.1666
75 R A -2.1711
76 C A 0.0000
77 Q A -0.6409
78 L A -0.2263
79 E A -1.7763
80 D A -0.5677
81 P A -0.0723
82 C A -0.0175
83 H A -0.5098
84 S A -0.3850
85 G A -0.5155
86 P A -0.1311
87 C A -0.0109
88 A A -0.0113
89 G A -0.6095
90 R A -1.9064
91 G A -0.0433
92 V A 1.7831
93 C A 0.3772
94 Q A -0.4352
95 S A -0.0613
96 S A -0.0594
97 V A 1.0446
98 V A 1.9225
99 A A 0.2976
100 G A -0.4637
101 T A -0.1280
102 A A 0.0000
103 R A -1.6744
104 F A 0.5122
105 S A -0.0267
106 C A -0.2787
107 R A -1.7820
108 C A -0.1223
109 P A -0.3717
110 R A -1.8687
111 G A -0.2466
112 F A 0.8440
113 R A -0.2078
114 G A -0.3457
115 P A -0.4297
116 D A -0.7712
117 C A 0.0000
118 S A -0.0573
119 L A 0.7651
120 P A -0.0174
121 D A -0.2929
122 P A -0.0763
123 C A 0.2227
124 L A 0.7678
125 S A -0.1073
126 S A -0.2592
127 P A -0.0702
128 C A 0.0702
129 A A -0.1218
130 H A -0.9030
131 G A -0.6140
132 A A -0.3898
133 R A -1.8059
134 C A -0.1739
135 S A -0.0550
136 V A 0.5323
137 G A 0.0093
138 P A -0.5873
139 D A -1.8655
140 G A -0.8209
141 R A -1.8196
142 F A 0.2406
143 L A 1.2781
144 C A 0.3214
145 S A -0.0691
146 C A 0.2206
147 P A -0.0652
148 P A -0.2781
149 G A -0.0983
150 Y A -0.1744
151 Q A -1.2577
152 G A -1.0268
153 R A -1.9301
154 S A 0.0000
155 C A 0.0000
156 R A -1.8834
157 S A -0.6859
158 D A -0.6767
159 V A 0.1130
160 D A -0.4558
161 E A -0.9194
162 C A -0.3651
163 R A -1.4989
164 V A 1.3976
165 G A -0.2238
166 E A -1.8709
167 P A -0.3929
168 C A 0.0000
169 R A -2.0073
170 H A -1.3163
171 G A -0.6386
172 G A -0.1334
173 T A -0.0533
174 C A 0.2719
175 L A 0.7302
176 N A -0.3895
177 T A 0.0000
178 P A -0.2735
179 G A -0.1855
180 S A -0.0766
181 F A 0.0670
182 R A -1.7314
183 C A -0.4547
184 Q A -1.1491
185 C A -0.0776
186 P A -0.0614
187 A A 0.0216
188 G A -0.0148
189 Y A 0.3311
190 T A 0.0187
191 G A -0.1965
192 P A -0.1927
193 L A 0.4516
194 C A 0.0000
195 E A -1.0735
196 N A -1.4528
197 P A -0.4212
198 A A 0.3016
199 V A 1.5782
200 P A 0.2828
201 C A 0.1382
202 A A 0.0129
203 P A -0.2645
204 S A -0.1717
205 P A -0.0495
206 C A -0.3017
207 R A -1.9903
208 N A -1.2914
209 G A -0.6320
210 G A -0.1175
211 T A -0.0608
212 C A -0.2456
213 R A -2.0495
214 Q A -1.5038
215 S A -0.4043
216 G A -0.5562
217 D A -1.5691
218 L A 1.0843
219 T A 0.2689
220 Y A -0.0005
221 D A -1.5845
222 C A 0.0000
223 A A 0.0705
224 C A 0.3844
225 L A 0.8170
226 P A -0.1164
227 G A -0.2786
228 F A -0.2499
229 E A -1.8173
230 G A -0.7932
231 Q A -1.2843
232 N A -0.4423
233 C A 0.0000
234 E A -1.5938
235 V A 0.6855
236 N A -0.8098
237 V A 0.2998
238 D A -1.7737
239 D A -1.0946
240 C A -0.0949
241 P A -0.3240
242 G A -0.6028
243 H A -0.9119
244 R A -1.9333
245 C A 0.0000
246 L A 1.2294
247 N A -0.6589
248 G A -0.6243
249 G A -0.1127
250 T A -0.0619
251 C A 0.2478
252 V A 0.7834
253 D A -0.3711
254 G A 0.1420
255 V A 1.5229
256 N A -0.9715
257 T A -0.2375
258 Y A -0.0843
259 N A -1.2132
260 C A -0.3641
261 Q A -1.1434
262 C A -0.0307
263 P A -0.0645
264 P A -0.3618
265 E A -0.5520
266 W A 0.0163
267 T A -0.2548
268 G A -0.5627
269 Q A -1.2091
270 F A 0.0665
271 C A 0.0000
272 T A -0.4062
273 E A -1.8825
274 D A -0.5682
275 V A 0.0000
276 D A -0.4943
277 E A -0.1604
278 C A -0.1463
279 Q A -0.8947
280 L A 1.0877
281 Q A -0.9428
282 P A -0.6993
283 N A -1.3181
284 A A -0.2225
285 C A 0.0000
286 H A -0.8110
287 N A -0.9981
288 G A -0.6204
289 G A -0.1320
290 T A -0.0470
291 C A 0.4624
292 F A 1.7179
293 N A -0.4060
294 T A 0.0632
295 L A 1.5052
296 G A 0.0949
297 G A -0.1741
298 H A -0.5071
299 S A -0.2226
300 C A 0.4024
301 V A 1.8232
302 C A 0.6777
303 V A 0.7537
304 N A -1.0986
305 G A 0.0000
306 W A 0.1053
307 T A -0.0531
308 G A -0.6130
309 E A -1.8769
310 S A -0.3672
311 C A 0.0000
312 S A -0.3038
313 Q A -0.7471
314 N A -0.4130
315 I A 0.5442
316 D A -1.4341
317 D A -0.7086
318 C A 0.0399
319 A A 0.0657
320 T A -0.0586
321 A A 0.3349
322 V A 1.7949
323 C A 0.5854
324 F A 0.3556
325 H A -0.9802
326 G A -0.6448
327 A A -0.0590
328 T A -0.0386
329 C A -0.0290
330 H A -0.9689
331 D A -0.7011
332 R A -1.5056
333 V A 0.6914
334 A A 0.1976
335 S A -0.1258
336 F A 0.3891
337 Y A 0.4752
338 C A 0.1733
339 A A 0.0956
340 C A 0.2597
341 P A 0.1491
342 M A 1.0243
343 G A 0.0162
344 K A -0.6690
345 T A -0.0878
346 G A 0.0853
347 L A 1.0265
348 L A 0.6441
349 C A 0.0000
350 H A -0.9233
351 L A -0.1411
352 D A -1.8416
353 D A -0.7711
354 A A -0.0418
355 C A 0.3320
356 V A 1.2820
357 S A -0.2030
358 N A -1.3315
359 P A -0.3289
360 C A 0.0049
361 H A -0.6066
362 E A -2.1975
363 D A -2.1186
364 A A 0.0551
365 I A 2.0427
366 C A 0.2082
367 D A -1.7606
368 T A 0.0000
369 N A -0.2032
370 P A 0.1019
371 V A 1.5097
372 N A -0.9673
373 G A -0.6097
374 R A -1.6254
375 A A -0.2436
376 I A 0.2880
377 C A 0.1358
378 T A -0.0133
379 C A 0.0000
380 P A 0.0000
381 P A -0.2717
382 G A -0.0733
383 F A 0.1373
384 T A -0.0086
385 G A -0.2659
386 G A -0.4946
387 A A -0.0499
388 C A 0.0000
389 D A -2.0075
390 Q A -1.5970
391 D A -0.5237
392 V A 0.1176
393 D A -0.9358
394 E A -0.7792
395 C A -0.0045
396 S A 0.1759
397 I A 1.8887
398 G A -0.0856
399 A A -0.2258
400 N A -1.0605
401 P A -0.2187
402 C A 0.0000
403 E A -1.6625
404 H A -0.4560
405 L A 1.4674
406 G A 0.0000
407 R A -1.9667
408 C A 0.0000
409 V A 0.5015
410 N A -0.2169
411 T A -0.2861
412 Q A -1.2172
413 G A -0.3237
414 S A -0.0932
415 F A 0.6552
416 L A 1.6375
417 C A 0.1336
418 Q A -1.3288
419 C A -0.0347
420 G A -0.5807
421 R A -1.8967
422 G A 0.0000
423 Y A -0.0364
424 T A -0.0417
425 G A -0.2166
426 P A -0.5551
427 R A -1.5662
428 C A 0.0000
429 E A -1.3258
430 T A -0.5810
431 D A -1.4265
432 V A 0.4030
433 N A -0.5289
434 E A -0.3969
435 C A 0.3215
436 L A 1.5264
437 S A -0.0141
438 G A -0.5109
439 P A -0.1022
440 C A -0.1647
441 R A -1.9503
442 N A -1.2206
443 Q A -1.3174
444 A A -0.2013
445 T A -0.0445
446 C A 0.2164
447 L A 0.1989
448 D A -1.7667
449 R A -1.7578
450 I A 1.6705
451 G A 0.0000
452 Q A -1.1139
453 F A 0.0352
454 T A 0.0287
455 C A 0.4189
456 I A 1.9034
457 C A 0.6591
458 M A 0.6421
459 A A 0.1570
460 G A -0.2461
461 F A -0.0430
462 T A -0.0474
463 G A -0.2561
464 T A 0.0200
465 Y A 0.7354
466 C A 0.0000
467 E A -0.5213
468 V A 0.6665
469 D A -1.4154
470 I A 0.0999
471 D A -1.7539
472 E A -1.2130
473 C A -0.2799
474 Q A -1.2193
475 S A -0.4694
476 S A -0.2589
477 P A -0.0684
478 C A 0.2765
479 V A 0.9962
480 N A -0.9010
481 G A -0.6620
482 G A 0.2037
483 V A 1.7882
484 C A 0.1683
485 K A -1.7469
486 D A -0.9671
487 R A -1.5887
488 V A 1.2017
489 N A -0.9803
490 G A -0.2334
491 F A 0.5260
492 S A 0.0863
493 C A 0.0941
494 T A -0.0204
495 C A 0.1327
496 P A -0.1153
497 S A -0.2928
498 G A -0.2769
499 F A 0.2057
500 S A 0.0648
501 G A -0.3900
502 S A -0.2758
503 T A -0.0424
504 C A 0.0000
505 Q A -0.9616
506 L A 0.7327
507 D A -1.3358
508 V A 0.1461
509 D A -1.9711
510 E A -1.9095
511 Y A 0.9956
512 A A 0.2571
513 S A -0.2151
514 T A -0.1184
515 P A -0.0582
516 C A 0.0000
517 R A -1.4270
518 N A -1.2580
519 G A -0.6333
520 A A -0.3590
521 K A -1.6785
522 C A -0.1224
523 V A 0.1435
524 D A -1.7485
525 Q A -1.1930
526 P A -0.7403
527 D A -1.8928
528 G A -0.4700
529 Y A 0.2679
530 E A -1.4257
531 C A 0.0000
532 R A -1.7962
533 C A -0.0721
534 A A -0.2545
535 E A -1.8148
536 G A 0.0000
537 F A -0.0371
538 E A -1.1650
539 G A -0.4390
540 T A -0.0382
541 L A 0.3867
542 C A 0.0000
543 D A -2.1269
544 R A -2.2488
545 N A -0.5409
546 V A 0.6070
547 D A -1.7655
548 D A -1.2199
549 C A -0.3383
550 S A -0.4541
551 P A -0.6353
552 D A -1.8523
553 P A -0.3518
554 C A 0.0000
555 H A -1.1318
556 H A -0.9842
557 G A -0.5501
558 R A -1.8629
559 C A 0.0000
560 V A 1.4278
561 D A -0.3567
562 G A 0.0751
563 I A 1.9952
564 A A 0.3856
565 S A -0.0366
566 F A 0.6229
567 S A -0.0502
568 C A 0.0659
569 A A 0.1064
570 C A 0.2487
571 A A 0.0101
572 P A -0.2612
573 G A -0.2940
574 Y A 0.0591
575 T A -0.0710
576 G A -0.2687
577 T A -0.3109
578 R A -1.0966
579 C A 0.0000
580 E A -1.7005
581 S A -0.5060
582 Q A -0.4989
583 V A 0.0733
584 D A -0.9761
585 E A -0.8631
586 C A 0.0000
587 R A -1.8828
588 S A -0.7631
589 Q A -1.2433
590 P A -0.2395
591 C A -0.3082
592 R A -1.9475
593 H A -1.0669
594 G A -0.5938
595 G A -0.4282
596 K A -1.7111
597 C A 0.0000
598 L A 0.1371
599 D A -0.5465
600 L A 0.5286
601 V A 0.9139
602 D A -1.9032
603 K A -1.9618
604 Y A 0.1202
605 L A 1.0500
606 C A -0.0898
607 R A -1.7877
608 C A -0.1396
609 P A -0.0912
610 S A -0.2387
611 G A -0.3189
612 T A 0.0000
613 T A -0.0842
614 G A 0.1073
615 V A 1.6699
616 N A -0.0241
617 C A 0.0000
618 E A -0.5205
619 V A 0.9855
620 N A 0.0534
621 I A 0.7825
622 D A -1.6425
623 D A -0.8135
624 C A -0.0073
625 A A 0.0329
626 S A -0.4295
627 N A -1.3191
628 P A -0.2753
629 C A 0.0000
630 T A 0.0873
631 F A 0.7809
632 G A 0.4230
633 V A 1.7824
634 C A 0.1499
635 R A -1.9943
636 D A -1.2508
637 G A -0.0619
638 I A 1.1686
639 N A -1.3603
640 R A -1.9860
641 Y A -0.3158
642 D A -1.6857
643 C A -0.0247
644 V A 1.1630
645 C A 0.2235
646 Q A -0.9509
647 P A -0.4382
648 G A -0.2449
649 F A -0.0786
650 T A -0.0394
651 G A -0.2449
652 P A -0.2062
653 L A 0.4213
654 C A 0.0000
655 N A -0.9483
656 V A 1.1978
657 E A -1.2971
658 I A 0.3236
659 N A -1.2649
660 E A -1.2583
661 C A -0.0781
662 A A 0.0378
663 S A -0.2404
664 S A -0.2594
665 P A -0.0847
666 C A 0.0000
667 G A -0.3913
668 E A -1.9204
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1918 V A 0.0000
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1930 A A 0.0000
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1932 V A -0.1360
1933 N A -0.3712
1934 A A 0.0577
1935 V A 0.6771
1936 D A 0.0000
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1938 L A -0.0169
1939 G A 0.0150
1940 K A -0.2074
1941 S A 0.0000
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1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.0000
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1949 V A 0.2226
1950 N A -0.3769
1951 N A 0.0000
1952 V A 0.1303
1953 E A -1.7356
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5558
1957 A A 0.1070
1958 L A 0.0000
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1960 K A -1.8980
1961 N A -1.6342
1962 G A -0.6923
1963 A A 0.0000
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1965 K A -0.8655
1966 D A -0.7246
1967 M A -0.0960
1968 Q A -0.7492
1969 D A 0.0000
1970 S A -0.3839
1971 K A -1.2379
1972 E A -1.5976
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 -0.3084
1982 E A -0.3408
1983 G A -0.2063
1984 S A 0.0000
1985 Y A 0.2172
1986 E A -1.0741
1987 A A 0.0000
1988 A A 0.0000
1989 K A -0.8062
1990 L A -0.1399
1991 L A 0.0000
1992 L A 0.0226
1993 D A -1.7786
1994 H A -0.2609
1995 F A 1.5545
1996 A A 0.0000
1997 N A -0.5049
1998 R A -0.8276
1999 E A -1.8369
2000 I A -0.0060
2001 T A -0.0989
2002 D A 0.0000
2003 H A -0.7144
2004 L A 1.0514
2005 D A -1.5921
2006 R A -0.6738
2007 L A 0.3382
2008 P A 0.0000
2009 R A -0.9759
2010 D A -1.3004
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.1834
2014 E A -2.2270
2015 R A -1.2897
2016 L A 1.1868
2017 H A -0.1072
2018 Q A -1.4804
2019 D A -1.6043
2020 I A 0.0000
2021 V A 0.0000
2022 R A -1.9877
2023 L A 0.0000
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2100 S A 0.0306
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2110 P A -0.0987
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2266 W A 0.1403
2267 S A -0.4478
2268 E A -1.8981
2269 S A -0.5635
2270 T A -0.1202
2271 P A -0.1085
2272 S A -0.2686
2273 P A -0.2822
2274 A A -0.0008
2275 T A -0.0497
2276 A A 0.0329
2277 T A -0.1450
2278 G A -0.4686
2279 A A 0.1631
2280 M A 1.0746
2281 A A 0.2387
2282 T A -0.0735
2283 T A -0.0972
2284 T A -0.1691
2285 G A -0.4686
2286 A A 0.2577
2287 L A 1.5078
2288 P A 0.0631
2289 A A -0.2099
2290 Q A -1.2421
2291 P A -0.2145
2292 L A 1.4472
2293 P A 0.3394
2294 L A 1.4505
2295 S A 0.4919
2296 V A 1.6812
2297 P A 0.0608
2298 S A -0.3018
2299 S A 0.1119
2300 L A 1.5089
2301 A A 0.1183
2302 Q A -1.1750
2303 A A -0.4057
2304 Q A -1.2020
2305 T A -0.5472
2306 Q A -0.9127
2307 L A 1.2274
2308 G A -0.2200
2309 P A -0.6270
2310 Q A -1.3094
2311 P A -0.8259
2312 E A -1.5388
2313 V A 1.4231
2314 T A 0.2114
2315 P A -0.5891
2316 K A -2.0903
2317 R A -2.3880
2318 Q A -1.2146
2319 V A 1.8448
2320 L A 1.9008
2321 A A 0.3492
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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 5.1689 View CSV PDB
4.5 -0.0312 5.1689 View CSV PDB
5.0 -0.0703 5.1689 View CSV PDB
5.5 -0.1108 5.1689 View CSV PDB
6.0 -0.1472 5.1689 View CSV PDB
6.5 -0.1764 5.1689 View CSV PDB
7.0 -0.1985 5.1689 View CSV PDB
7.5 -0.2157 5.1689 View CSV PDB
8.0 -0.2298 5.1689 View CSV PDB
8.5 -0.2404 5.1689 View CSV PDB
9.0 -0.2464 5.1689 View CSV PDB