Project name: C360R_5

Status: done

Started: 2026-06-02 01:55:17
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPRHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:21)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:21)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:25:03)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/3e15ab844d8d37c/tmp/folded.pdb                (00:25:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:54:30)
Show buried residues

Minimal score value
-2.5694
Maximal score value
2.3304
Average score
-0.2813
Total score value
-652.9346

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 0.9626
2 G A -0.3157
3 P A -0.4443
4 G A -0.5036
5 A A -0.3822
6 R A -1.9184
7 G A -1.1485
8 R A -2.2635
9 R A -2.5139
10 R A -2.5121
11 R A -2.5053
12 R A -2.5077
13 R A -2.2225
14 P A -0.3948
15 M A 0.9690
16 S A -0.0671
17 P A -0.3382
18 P A -0.3458
19 P A -0.3453
20 P A -0.3453
21 P A -0.3459
22 P A -0.3459
23 P A 0.0199
24 V A 1.3949
25 R A -1.5144
26 A A 0.0014
27 L A 1.5124
28 P A 0.3048
29 L A 1.7881
30 L A 2.1171
31 L A 2.1123
32 L A 2.1120
33 L A 1.8409
34 A A 0.2600
35 G A -0.5018
36 P A -0.4260
37 G A -0.5028
38 A A -0.0170
39 A A 0.0777
40 A A 0.0476
41 P A -0.0497
42 P A -0.0639
43 C A 0.0000
44 L A 1.1927
45 D A -1.5994
46 G A -0.8024
47 S A -0.2125
48 P A -0.2545
49 C A -0.0364
50 A A -0.1272
51 N A -0.9831
52 G A -0.6404
53 G A -0.4407
54 R A -1.8330
55 C A -0.2250
56 T A -0.2192
57 Q A -1.1071
58 L A 0.2429
59 P A -0.2020
60 S A -0.5864
61 R A -2.2118
62 E A -2.1312
63 A A 0.0000
64 A A 0.0110
65 C A 0.0000
66 L A 1.5919
67 C A 0.5044
68 P A -0.0715
69 P A -0.2815
70 G A -0.0829
71 W A 0.1600
72 V A 0.2881
73 G A -0.3716
74 E A -1.9516
75 R A -0.9680
76 C A 0.0000
77 Q A -0.6287
78 L A -0.2169
79 E A -1.7764
80 D A -0.5837
81 P A -0.0721
82 C A -0.0791
83 H A -1.0094
84 S A -0.4763
85 G A -0.5160
86 P A -0.1349
87 C A -0.0165
88 A A -0.0004
89 G A -0.5549
90 R A -1.8964
91 G A -0.0433
92 V A 1.7887
93 C A 0.3370
94 Q A -0.7947
95 S A -0.1055
96 S A -0.0191
97 V A 1.0218
98 V A 1.9078
99 A A 0.2971
100 G A -0.4650
101 T A -0.1348
102 A A 0.0000
103 R A -1.6979
104 F A 0.3962
105 S A -0.0514
106 C A -0.2757
107 R A -1.7832
108 C A -0.1249
109 P A -0.3576
110 R A -1.8643
111 G A -0.2496
112 F A 0.7905
113 R A -0.2354
114 G A -0.3435
115 P A -0.4370
116 D A -0.8185
117 C A 0.0000
118 S A -0.0594
119 L A 0.7574
120 P A -0.0304
121 D A -0.3317
122 P A -0.0626
123 C A 0.2850
124 L A 1.0376
125 S A -0.0589
126 S A -0.2556
127 P A -0.0506
128 C A 0.0742
129 A A -0.1308
130 H A -0.9465
131 G A -0.6207
132 A A -0.3936
133 R A -1.8020
134 C A -0.1496
135 S A -0.0710
136 V A 0.5288
137 G A 0.0080
138 P A -0.5857
139 D A -1.8493
140 G A -0.6751
141 R A -1.5036
142 F A 0.2408
143 L A 1.1627
144 C A 0.2877
145 S A -0.1463
146 C A 0.2121
147 P A -0.0718
148 P A -0.2784
149 G A -0.0853
150 Y A -0.1647
151 Q A -1.2546
152 G A -1.0300
153 R A -1.9349
154 S A -0.3456
155 C A 0.0000
156 R A -1.8833
157 S A -0.6970
158 D A -0.7395
159 V A 0.1285
160 D A -0.2976
161 E A -0.4121
162 C A -0.2773
163 R A -1.4970
164 V A 1.3848
165 G A -0.2746
166 E A -1.8795
167 P A -0.3915
168 C A 0.0000
169 R A -1.9191
170 H A -1.2811
171 G A -0.6334
172 G A -0.1229
173 T A -0.0581
174 C A 0.2355
175 L A 0.5336
176 N A -0.3879
177 T A 0.0000
178 P A -0.2674
179 G A -0.1500
180 S A -0.0613
181 F A 0.0538
182 R A -1.7345
183 C A -0.4558
184 Q A -1.1397
185 C A -0.0189
186 P A -0.0569
187 A A 0.0057
188 G A -0.0890
189 Y A 0.3503
190 T A 0.0361
191 G A -0.2188
192 P A -0.2073
193 L A 0.3955
194 C A 0.0000
195 E A -0.9487
196 N A -1.2931
197 P A -0.3891
198 A A 0.2203
199 V A 1.1365
200 P A 0.2047
201 C A 0.1336
202 A A -0.0184
203 P A -0.2704
204 S A -0.1802
205 P A -0.0733
206 C A -0.3142
207 R A -1.9705
208 N A -1.1795
209 G A -0.6103
210 G A -0.1125
211 T A -0.0612
212 C A -0.2512
213 R A -2.0290
214 Q A -1.3992
215 S A -0.3860
216 G A -0.5337
217 D A -1.5415
218 L A 1.2156
219 T A 0.2808
220 Y A -0.0853
221 D A -1.7082
222 C A 0.0000
223 A A 0.0718
224 C A 0.3727
225 L A 0.7943
226 P A -0.1196
227 G A -0.1126
228 F A -0.2787
229 E A -1.8206
230 G A -0.7694
231 Q A -1.2843
232 N A -0.4658
233 C A 0.0000
234 E A -0.9793
235 V A 1.0526
236 N A -0.6614
237 V A 0.1430
238 D A -1.8129
239 D A -1.1248
240 C A -0.1009
241 P A -0.3240
242 G A -0.6035
243 H A -0.9169
244 R A -1.9211
245 C A -0.0323
246 L A 0.8725
247 N A -0.6923
248 G A -0.6165
249 G A -0.1208
250 T A -0.0625
251 C A 0.2861
252 V A 1.0274
253 D A -0.2732
254 G A 0.1302
255 V A 1.4352
256 N A -0.9862
257 T A -0.2573
258 Y A -0.0948
259 N A -1.2174
260 C A -0.3701
261 Q A -1.1568
262 C A -0.0908
263 P A -0.0721
264 P A -0.3846
265 E A -0.6844
266 W A 0.0003
267 T A -0.2541
268 G A -0.5564
269 Q A -1.1921
270 F A 0.1662
271 C A 0.0000
272 T A -0.4044
273 E A -1.8810
274 D A -0.5598
275 V A 0.0000
276 D A -1.6455
277 E A -0.3341
278 C A -0.1040
279 Q A -0.8886
280 L A 1.0883
281 Q A -0.9630
282 P A -0.5928
283 N A -0.7156
284 A A -0.1151
285 C A 0.0000
286 H A -0.2712
287 N A -0.2762
288 G A -0.1600
289 G A -0.0643
290 T A -0.0433
291 C A 0.4959
292 F A 1.8685
293 N A -0.2272
294 T A 0.1007
295 L A 1.5088
296 G A 0.1113
297 G A -0.1547
298 H A -0.4855
299 S A -0.2618
300 C A 0.3993
301 V A 1.8250
302 C A 0.7170
303 V A 0.9518
304 N A -1.0628
305 G A 0.0000
306 W A 0.0930
307 T A -0.0456
308 G A -0.5752
309 E A -1.8743
310 S A -0.3887
311 C A 0.0000
312 S A -0.4323
313 Q A -1.2885
314 N A -0.3127
315 I A 0.5578
316 D A -1.5665
317 D A -0.6451
318 C A 0.0762
319 A A 0.0693
320 T A -0.0592
321 A A 0.3385
322 V A 1.7912
323 C A 0.6308
324 F A 0.8262
325 H A -0.8924
326 G A -0.6440
327 A A -0.0566
328 T A -0.0388
329 C A 0.0618
330 H A -0.5702
331 D A -1.0961
332 R A -1.4455
333 V A 0.2989
334 A A 0.1197
335 S A -0.1441
336 F A 0.2770
337 Y A 0.9352
338 C A 0.2579
339 A A 0.0972
340 C A 0.2906
341 P A 0.1458
342 M A 1.0246
343 G A 0.0361
344 K A -0.6554
345 T A -0.0793
346 G A 0.0000
347 L A 0.8513
348 L A 0.3562
349 C A 0.0000
350 H A -0.1209
351 L A -0.1512
352 D A -1.8549
353 D A -0.6888
354 A A -0.0242
355 C A 0.2901
356 V A 0.9456
357 S A -0.2694
358 N A -1.3229
359 P A -0.6348
360 R A -1.8887
361 H A -0.8528
362 E A -2.1767
363 D A -2.1182
364 A A 0.0703
365 I A 2.0382
366 C A 0.1886
367 D A -1.7665
368 T A -0.3659
369 N A -0.2110
370 P A -0.2347
371 V A 0.1863
372 N A -0.1101
373 G A 0.0000
374 R A -0.6095
375 A A 0.0672
376 I A 0.9592
377 C A 0.2730
378 T A -0.0206
379 C A 0.1608
380 P A -0.0371
381 P A -0.2536
382 G A -0.0605
383 F A 0.1742
384 T A -0.0520
385 G A -0.4276
386 G A -0.5241
387 A A -0.0624
388 C A 0.0000
389 D A -2.0097
390 Q A -1.6006
391 D A -0.5354
392 V A 0.0268
393 D A -0.9300
394 E A -0.3560
395 C A 0.0696
396 S A 0.1796
397 I A 1.8871
398 G A -0.0812
399 A A -0.2160
400 N A -1.0226
401 P A -0.2135
402 C A 0.0000
403 E A -1.3837
404 H A -0.5746
405 L A 1.4353
406 G A 0.0000
407 R A -1.9662
408 C A 0.0000
409 V A 0.5519
410 N A -0.2361
411 T A -0.2955
412 Q A -1.2124
413 G A -0.2780
414 S A 0.0000
415 F A 0.4055
416 L A 1.4809
417 C A 0.1161
418 Q A -1.3278
419 C A -0.0385
420 G A -0.5972
421 R A -1.9097
422 G A 0.0000
423 Y A -0.0496
424 T A -0.0455
425 G A -0.1965
426 P A -0.2698
427 R A -0.7453
428 C A 0.0000
429 E A -1.2911
430 T A -0.6067
431 D A -1.6499
432 V A 0.2703
433 N A -0.3712
434 E A 0.0000
435 C A 0.3760
436 L A 1.5268
437 S A -0.0163
438 G A -0.5118
439 P A -0.1067
440 C A -0.1613
441 R A -1.9634
442 N A -1.2946
443 Q A -1.3305
444 A A -0.1968
445 T A -0.0440
446 C A 0.2367
447 L A 0.3126
448 D A -1.7945
449 R A -1.7666
450 I A 1.6579
451 G A -0.1482
452 Q A -1.1467
453 F A -0.0566
454 T A 0.0325
455 C A 0.3820
456 I A 1.6797
457 C A 0.6204
458 M A 0.5949
459 A A 0.1492
460 G A -0.2244
461 F A -0.0216
462 T A -0.0464
463 G A -0.2660
464 T A 0.0225
465 Y A 0.7547
466 C A 0.0000
467 E A -0.5810
468 V A 0.7041
469 D A -1.3978
470 I A 0.1501
471 D A -1.7592
472 E A -1.3189
473 C A -0.2971
474 Q A -1.2187
475 S A -0.4684
476 S A -0.2590
477 P A -0.0701
478 C A 0.2360
479 V A 0.8426
480 N A -0.7433
481 G A -0.6280
482 G A 0.2112
483 V A 1.7889
484 C A 0.2420
485 K A -1.6255
486 D A -2.2842
487 R A -1.8472
488 V A 1.2070
489 N A -0.9791
490 G A -0.2235
491 F A 0.3993
492 S A 0.0947
493 C A 0.1034
494 T A -0.0034
495 C A 0.1574
496 P A -0.1136
497 S A -0.2464
498 G A -0.3491
499 F A 0.0309
500 S A -0.1117
501 G A -0.4246
502 S A -0.2817
503 T A -0.0409
504 C A 0.0000
505 Q A -0.9696
506 L A 0.6985
507 D A -1.3903
508 V A 0.0722
509 D A -1.8581
510 E A -1.4150
511 C A -0.0969
512 A A 0.0361
513 S A -0.2148
514 T A -0.1135
515 P A -0.0405
516 C A 0.0000
517 R A -1.5768
518 N A -1.1915
519 G A -0.6156
520 A A -0.3499
521 K A -1.6845
522 C A -0.1270
523 V A 0.2197
524 D A -1.7766
525 Q A -1.3224
526 P A -0.7518
527 D A -1.8676
528 G A -0.3107
529 Y A 0.1338
530 E A -1.5872
531 C A -0.5577
532 R A -1.7746
533 C A -0.0399
534 A A -0.2556
535 E A -1.8267
536 G A -0.1288
537 F A -0.0976
538 E A -1.8129
539 G A -0.8070
540 T A -0.0656
541 L A 0.4921
542 C A 0.0000
543 D A -2.0813
544 R A -2.0464
545 N A -0.6191
546 V A 0.5204
547 D A -0.9623
548 D A -0.9550
549 C A -0.2583
550 S A -0.2614
551 P A -0.6291
552 D A -1.8287
553 P A -0.3661
554 C A 0.0000
555 H A -1.0732
556 H A -0.6626
557 G A -0.5122
558 R A -1.8551
559 C A -0.0871
560 V A 0.5590
561 D A -1.5929
562 G A -0.1818
563 I A 1.9762
564 A A 0.3610
565 S A -0.0660
566 F A 0.3187
567 S A -0.0834
568 C A 0.0739
569 A A 0.1238
570 C A 0.2737
571 A A 0.0331
572 P A -0.2605
573 G A -0.2547
574 Y A 0.1575
575 T A -0.0339
576 G A -0.2939
577 T A -0.2901
578 R A -0.9495
579 C A 0.0000
580 E A -1.8332
581 S A -0.6273
582 Q A -1.0335
583 V A 0.3151
584 D A -0.9565
585 E A -0.5151
586 C A -0.3068
587 R A -1.8686
588 S A -0.7721
589 Q A -1.2434
590 P A -0.2587
591 C A 0.0000
592 R A -1.6403
593 H A -0.5850
594 G A -0.5132
595 G A -0.4146
596 K A -1.7104
597 C A 0.0000
598 L A 0.0433
599 D A -1.5066
600 L A 0.7606
601 V A 1.6190
602 D A -1.7817
603 K A -1.8647
604 Y A 0.0029
605 L A 1.0909
606 C A -0.0659
607 R A -1.7792
608 C A -0.0953
609 P A -0.0932
610 S A -0.2475
611 G A -0.2135
612 T A 0.0000
613 T A -0.0868
614 G A 0.0822
615 V A 1.6759
616 N A 0.0184
617 C A 0.0000
618 E A -0.4856
619 V A 0.8264
620 N A -0.3595
621 I A 0.9231
622 D A -1.6675
623 D A -1.0518
624 C A 0.0000
625 A A 0.0208
626 S A -0.4232
627 N A -1.3218
628 P A -0.2765
629 C A 0.0660
630 T A 0.1513
631 F A 1.0459
632 G A 0.4717
633 V A 1.7725
634 C A 0.0852
635 R A -1.9633
636 D A -1.0198
637 G A -0.2071
638 I A 1.2420
639 N A -0.8466
640 R A -1.8917
641 Y A -0.1750
642 D A -1.6885
643 C A 0.0000
644 V A 0.8550
645 C A 0.1574
646 Q A -0.9240
647 P A -0.4249
648 G A -0.1860
649 F A 0.0534
650 T A 0.1789
651 G A -0.1929
652 P A -0.1640
653 L A 0.5917
654 C A 0.0000
655 N A -0.7899
656 V A 1.1592
657 E A -1.2616
658 I A 0.6388
659 N A -1.1186
660 E A -0.5508
661 C A 0.0538
662 A A 0.0392
663 S A -0.2403
664 S A -0.2632
665 P A -0.0926
666 C A 0.0321
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1950 N A -0.2920
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1953 E A -1.7362
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5604
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1960 K A -1.8849
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1967 M A -0.0570
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1969 D A 0.0000
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1971 K A -1.4402
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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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1980 A A 0.0000
1981 R A -0.7821
1982 E A -1.6314
1983 G A -0.4394
1984 S A 0.0000
1985 Y A 0.0629
1986 E A -1.5339
1987 A A 0.0000
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1989 K A -1.4058
1990 L A -0.2207
1991 L A 0.0000
1992 L A -0.0679
1993 D A -1.7949
1994 H A -0.5495
1995 F A 0.5832
1996 A A 0.0000
1997 N A -0.3196
1998 R A -0.8691
1999 E A -1.9100
2000 I A 0.0000
2001 T A -0.2025
2002 D A 0.0000
2003 H A -0.6540
2004 L A 1.0604
2005 D A -1.5928
2006 R A -0.6869
2007 L A 0.3322
2008 P A 0.0000
2009 R A -1.1482
2010 D A -1.2576
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.9218
2014 E A -2.2035
2015 R A -1.4199
2016 L A 1.1930
2017 H A -0.0358
2018 Q A -1.0438
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2265 D A -1.6035
2266 W A 0.7875
2267 S A -0.4267
2268 E A -1.9131
2269 S A -0.5869
2270 T A -0.1629
2271 P A -0.3176
2272 S A -0.3231
2273 P A -0.2873
2274 A A -0.0048
2275 T A -0.0469
2276 A A 0.0277
2277 T A -0.1409
2278 G A -0.4646
2279 A A 0.1975
2280 M A 1.0787
2281 A A 0.2451
2282 T A -0.0768
2283 T A -0.1019
2284 T A -0.1716
2285 G A -0.4687
2286 A A 0.3229
2287 L A 1.5140
2288 P A 0.0406
2289 A A -0.2476
2290 Q A -1.2314
2291 P A -0.1885
2292 L A 1.4521
2293 P A 0.3232
2294 L A 1.4528
2295 S A 0.4704
2296 V A 1.6880
2297 P A 0.0222
2298 S A -0.3087
2299 S A 0.0307
2300 L A 1.5185
2301 A A 0.1329
2302 Q A -1.1762
2303 A A -0.4461
2304 Q A -1.1982
2305 T A -0.5172
2306 Q A -0.8586
2307 L A 1.1886
2308 G A -0.2363
2309 P A -0.5921
2310 Q A -1.2951
2311 P A -0.8019
2312 E A -1.4569
2313 V A 1.3390
2314 T A 0.2194
2315 P A -0.5868
2316 K A -2.0979
2317 R A -2.4505
2318 Q A -1.3107
2319 V A 1.8629
2320 L A 1.9124
2321 A A 0.3436
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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 -0.009 4.6631 View CSV PDB
4.5 -0.0413 4.6631 View CSV PDB
5.0 -0.0807 4.6631 View CSV PDB
5.5 -0.1213 4.6631 View CSV PDB
6.0 -0.1579 4.6631 View CSV PDB
6.5 -0.1876 4.6631 View CSV PDB
7.0 -0.2104 4.6631 View CSV PDB
7.5 -0.2285 4.6631 View CSV PDB
8.0 -0.2433 4.6631 View CSV PDB
8.5 -0.2544 4.6631 View CSV PDB
9.0 -0.2607 4.6631 View CSV PDB