Project name: G1347R_5

Status: done

Started: 2026-06-12 06:59:35
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHRGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:25:02)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/97ba5eccafd7d40/tmp/folded.pdb                (00:25:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:44:49)
Show buried residues

Minimal score value
-2.6216
Maximal score value
2.5733
Average score
-0.2743
Total score value
-636.7498

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 0.9687
2 G A -0.3229
3 P A -0.4407
4 G A -0.5079
5 A A -0.3779
6 R A -1.9209
7 G A -1.1527
8 R A -2.2716
9 R A -2.5190
10 R A -2.6134
11 R A -2.6216
12 R A -2.5215
13 R A -2.2264
14 P A -0.3987
15 M A 0.9677
16 S A -0.0661
17 P A -0.3397
18 P A -0.3472
19 P A -0.3477
20 P A -0.3479
21 P A -0.3477
22 P A -0.3477
23 P A 0.0277
24 V A 1.3873
25 R A -1.5082
26 A A 0.0012
27 L A 1.5125
28 P A 0.3090
29 L A 1.7926
30 L A 2.1161
31 L A 2.1051
32 L A 2.1136
33 L A 1.8435
34 A A 0.2548
35 G A -0.5020
36 P A -0.4263
37 G A -0.5029
38 A A -0.0160
39 A A 0.0801
40 A A 0.0512
41 P A -0.0953
42 P A -0.0360
43 C A 0.3580
44 L A 1.2360
45 D A -1.5902
46 G A -0.8041
47 S A -0.2240
48 P A -0.2574
49 C A -0.0289
50 A A -0.1283
51 N A -0.9786
52 G A -0.6399
53 G A -0.4417
54 R A -1.7384
55 C A 0.2774
56 T A -0.1286
57 Q A -1.0881
58 L A 0.3444
59 P A -0.1700
60 S A -0.5133
61 R A -2.2053
62 E A -2.1607
63 A A 0.0000
64 A A 0.0266
65 C A 0.4390
66 L A 1.6050
67 C A 0.5054
68 P A -0.0714
69 P A -0.2797
70 G A -0.0926
71 W A 0.0448
72 V A 0.2889
73 G A -0.3637
74 E A -1.9284
75 R A -0.8441
76 C A 0.0000
77 Q A -0.5856
78 L A -0.1999
79 E A -1.7865
80 D A -0.5921
81 P A -0.0715
82 C A -0.0776
83 H A -1.0090
84 S A -0.4774
85 G A -0.5152
86 P A -0.1294
87 C A -0.0337
88 A A -0.0154
89 G A -0.6276
90 R A -1.9094
91 G A -0.0471
92 V A 1.7893
93 C A 0.3105
94 Q A -0.9521
95 S A -0.1668
96 S A -0.0417
97 V A 0.8928
98 V A 1.7237
99 A A 0.2664
100 G A -0.4647
101 T A -0.1338
102 A A 0.0000
103 R A -1.7126
104 F A 0.1612
105 S A -0.0943
106 C A -0.2783
107 R A -1.7847
108 C A -0.1380
109 P A -0.3758
110 R A -1.8673
111 G A -0.2188
112 F A 0.9556
113 R A -0.2289
114 G A -0.2547
115 P A -0.4479
116 D A -0.9744
117 C A 0.0000
118 S A -0.0492
119 L A 0.8057
120 P A -0.0012
121 D A -0.3360
122 P A -0.0844
123 C A 0.2876
124 L A 1.1930
125 S A -0.0286
126 S A -0.2598
127 P A -0.0735
128 C A 0.0645
129 A A -0.1153
130 H A -0.8416
131 G A -0.6020
132 A A -0.4002
133 R A -1.8430
134 C A 0.0000
135 S A -0.0339
136 V A 0.7922
137 G A 0.0560
138 P A -0.5873
139 D A -1.8459
140 G A -0.7114
141 R A -1.7865
142 F A 0.2572
143 L A 0.8356
144 C A 0.1967
145 S A -0.1624
146 C A 0.1233
147 P A -0.0826
148 P A -0.2767
149 G A -0.0445
150 Y A -0.1925
151 Q A -1.2611
152 G A -1.0298
153 R A -1.9398
154 S A -0.3763
155 C A 0.0000
156 R A -1.8836
157 S A -0.6954
158 D A -0.7006
159 V A 0.2058
160 D A -0.2531
161 E A -0.3182
162 C A -0.2566
163 R A -1.4979
164 V A 1.3831
165 G A -0.2934
166 E A -1.8799
167 P A -0.3703
168 C A 0.0000
169 R A -1.5386
170 H A -1.2179
171 G A -0.6350
172 G A -0.1238
173 T A -0.0592
174 C A 0.2346
175 L A 0.5428
176 N A -0.4573
177 T A -0.1162
178 P A -0.2675
179 G A -0.1422
180 S A -0.0570
181 F A 0.0383
182 R A -1.7333
183 C A -0.4622
184 Q A -1.1386
185 C A -0.0211
186 P A -0.0551
187 A A 0.0161
188 G A -0.0375
189 Y A 0.3406
190 T A 0.0219
191 G A -0.2266
192 P A -0.2299
193 L A 0.2775
194 C A 0.0000
195 E A -0.9172
196 N A -1.3650
197 P A -0.4105
198 A A 0.2643
199 V A 1.3921
200 P A 0.2538
201 C A 0.1308
202 A A 0.0081
203 P A -0.2671
204 S A -0.1884
205 P A -0.0865
206 C A -0.3190
207 R A -1.9895
208 N A -1.2870
209 G A -0.6306
210 G A -0.1130
211 T A -0.0611
212 C A -0.2511
213 R A -2.0506
214 Q A -1.5034
215 S A -0.4016
216 G A -0.5471
217 D A -1.5982
218 L A 0.9188
219 T A 0.2473
220 Y A 0.0188
221 D A -1.6860
222 C A 0.0000
223 A A 0.0719
224 C A 0.3966
225 L A 0.8788
226 P A -0.1049
227 G A -0.2666
228 F A -0.2567
229 E A -1.8162
230 G A -0.7838
231 Q A -1.3004
232 N A -0.5403
233 C A 0.0000
234 E A -0.6586
235 V A 0.6630
236 N A -0.9037
237 V A 0.2207
238 D A -1.7962
239 D A -1.1510
240 C A -0.1086
241 P A -0.3248
242 G A -0.6012
243 H A -0.9051
244 R A -1.9323
245 C A 0.0000
246 L A 1.3056
247 N A -0.2014
248 G A -0.5326
249 G A 0.0000
250 T A -0.0529
251 C A 0.2454
252 V A 0.7514
253 D A -0.3972
254 G A 0.1252
255 V A 1.5196
256 N A -0.9705
257 T A -0.2440
258 Y A -0.1055
259 N A -1.2170
260 C A -0.3624
261 Q A -1.1427
262 C A -0.0174
263 P A -0.0628
264 P A -0.3784
265 E A -0.6717
266 W A 0.0000
267 T A -0.2582
268 G A -0.4247
269 Q A -1.1799
270 F A 0.0879
271 C A 0.0000
272 T A -0.3884
273 E A -1.9181
274 D A -0.7497
275 V A 0.0545
276 D A -0.5170
277 E A -0.3560
278 C A -0.1889
279 Q A -0.8966
280 L A 1.0653
281 Q A -0.9630
282 P A -0.7015
283 N A -1.3178
284 A A -0.2228
285 C A 0.0000
286 H A -0.8939
287 N A -1.0055
288 G A -0.6199
289 G A -0.1300
290 T A -0.0195
291 C A 0.2665
292 F A 0.7470
293 N A -0.5592
294 T A 0.1077
295 L A 1.5198
296 G A 0.1395
297 G A -0.1509
298 H A -0.4514
299 S A -0.1436
300 C A 0.0000
301 V A 0.0000
302 C A 0.2799
303 V A 0.7261
304 N A -0.1045
305 G A 0.0000
306 W A 0.1207
307 T A -0.0334
308 G A -0.5098
309 E A -1.8657
310 S A -0.4103
311 C A 0.0000
312 S A -0.4317
313 Q A -1.3118
314 N A -0.4416
315 I A 0.4728
316 D A -1.7240
317 D A -0.8409
318 C A 0.0327
319 A A 0.0671
320 T A -0.0586
321 A A 0.2325
322 V A 1.2332
323 C A 0.5486
324 F A 0.8190
325 H A -0.8953
326 G A -0.6444
327 A A -0.0599
328 T A -0.0376
329 C A 0.0536
330 H A -0.5644
331 D A -0.8656
332 R A -0.4953
333 V A 1.0701
334 A A 0.2204
335 S A 0.0148
336 F A 0.6085
337 Y A 1.1858
338 C A 0.0000
339 A A 0.0746
340 C A 0.2634
341 P A 0.1551
342 M A 1.0205
343 G A -0.0391
344 K A -0.8730
345 T A -0.1303
346 G A -0.0094
347 L A 0.3590
348 L A 0.4229
349 C A 0.0000
350 H A -0.3837
351 L A -0.1536
352 D A -1.8742
353 D A -0.7181
354 A A -0.0294
355 C A 0.4082
356 V A 1.7232
357 S A -0.1224
358 N A -1.3312
359 P A -0.3274
360 C A 0.0023
361 H A -0.6086
362 E A -2.1984
363 D A -2.1192
364 A A 0.0753
365 I A 2.0418
366 C A 0.3527
367 D A -0.9654
368 T A 0.0000
369 N A -0.2088
370 P A 0.0000
371 V A 1.5418
372 N A -0.9700
373 G A -0.6669
374 R A -1.8616
375 A A -0.1952
376 I A 0.8006
377 C A 0.2433
378 T A 0.0258
379 C A 0.1822
380 P A -0.0361
381 P A -0.2686
382 G A -0.0373
383 F A 0.1763
384 T A -0.0656
385 G A -0.4810
386 G A -0.5339
387 A A -0.0529
388 C A 0.0000
389 D A -2.0079
390 Q A -1.5836
391 D A -0.4618
392 V A -0.0133
393 D A -1.1770
394 E A -0.4744
395 C A 0.0965
396 S A 0.1854
397 I A 1.8876
398 G A -0.0823
399 A A -0.2446
400 N A -1.1780
401 P A -0.2422
402 C A 0.0000
403 E A -1.5415
404 H A -0.6199
405 L A 1.4322
406 G A 0.0000
407 R A -1.9666
408 C A 0.0000
409 V A 0.4753
410 N A -0.2511
411 T A -0.2812
412 Q A -1.2165
413 G A -0.3094
414 S A -0.0408
415 F A 0.7382
416 L A 1.5636
417 C A 0.1195
418 Q A -1.3292
419 C A -0.0432
420 G A -0.5830
421 R A -1.9117
422 G A -0.1514
423 Y A 0.0090
424 T A -0.0334
425 G A -0.1990
426 P A -0.3345
427 R A -0.3433
428 C A 0.0000
429 E A -1.0386
430 T A -0.4726
431 D A -1.1980
432 V A 0.1289
433 N A -0.7784
434 E A -0.7120
435 C A 0.2926
436 L A 1.5310
437 S A -0.0162
438 G A -0.5120
439 P A -0.1068
440 C A -0.1515
441 R A -1.9333
442 N A -1.1253
443 Q A -1.2998
444 A A -0.1923
445 T A -0.0019
446 C A 0.2517
447 L A 0.4891
448 D A -0.6846
449 R A -0.9589
450 I A 1.6943
451 G A -0.1430
452 Q A -1.1374
453 F A 0.0671
454 T A 0.0556
455 C A 0.3081
456 I A 1.2541
457 C A 0.5147
458 M A 0.4844
459 A A 0.1391
460 G A 0.0000
461 F A -0.0322
462 T A -0.0482
463 G A -0.2599
464 T A 0.0379
465 Y A 0.8339
466 C A 0.0000
467 E A -0.4448
468 V A 0.6936
469 D A -1.4047
470 I A 0.1508
471 D A -1.6090
472 E A -1.1763
473 C A -0.2807
474 Q A -1.2195
475 S A -0.4692
476 S A -0.2585
477 P A -0.0666
478 C A 0.2417
479 V A 0.8480
480 N A -0.7381
481 G A -0.6277
482 G A 0.2040
483 V A 1.7884
484 C A 0.2272
485 K A -1.7006
486 D A -2.2996
487 R A -1.8431
488 V A 1.2037
489 N A -0.9683
490 G A -0.2149
491 F A 0.3936
492 S A 0.1002
493 C A 0.1050
494 T A 0.0028
495 C A 0.1555
496 P A -0.1119
497 S A -0.2459
498 G A -0.3374
499 F A 0.0236
500 S A -0.1068
501 G A -0.4022
502 S A -0.2780
503 T A -0.0422
504 C A 0.0000
505 Q A -0.9733
506 L A 0.6686
507 D A -1.3958
508 V A 0.0668
509 D A -1.7252
510 E A -1.3810
511 C A -0.0962
512 A A 0.0360
513 S A -0.2148
514 T A -0.1156
515 P A -0.0515
516 C A 0.0000
517 R A -1.8860
518 N A -1.5287
519 G A -0.6685
520 A A -0.3592
521 K A -1.6838
522 C A -0.1187
523 V A 0.2556
524 D A -1.7773
525 Q A -1.2788
526 P A -0.7448
527 D A -1.8676
528 G A -0.3391
529 Y A 0.0680
530 E A -1.1877
531 C A -0.4831
532 R A -1.7821
533 C A -0.0887
534 A A -0.2611
535 E A -1.8266
536 G A -0.3400
537 F A -0.2675
538 E A -1.8542
539 G A -0.7788
540 T A -0.0624
541 L A 0.4740
542 C A 0.0000
543 D A -0.8180
544 R A -2.1656
545 N A -1.4212
546 V A 0.3333
547 D A -1.7465
548 D A -0.9526
549 C A -0.2084
550 S A -0.2587
551 P A -0.6296
552 D A -1.8256
553 P A -0.3470
554 C A 0.0000
555 H A -1.0733
556 H A -0.6668
557 G A -0.5225
558 R A -1.8576
559 C A -0.0242
560 V A 1.0751
561 D A -0.7561
562 G A -0.0402
563 I A 1.9807
564 A A 0.3479
565 S A -0.0656
566 F A 0.4990
567 S A -0.0681
568 C A 0.0788
569 A A 0.1285
570 C A 0.2875
571 A A 0.0346
572 P A -0.2625
573 G A -0.0461
574 Y A 0.2062
575 T A -0.0158
576 G A -0.2798
577 T A -0.3069
578 R A -1.0686
579 C A 0.0000
580 E A -1.5503
581 S A -0.5933
582 Q A -1.0776
583 V A 0.1316
584 D A -0.8642
585 E A -0.5111
586 C A -0.3039
587 R A -1.8672
588 S A -0.7654
589 Q A -1.2428
590 P A -0.2422
591 C A -0.3089
592 R A -1.9015
593 H A -0.8048
594 G A -0.5454
595 G A -0.4164
596 K A -1.6971
597 C A -0.1572
598 L A 0.0827
599 D A -1.5271
600 L A 0.6128
601 V A 1.5917
602 D A -1.7752
603 K A -1.8696
604 Y A 0.1131
605 L A 1.2751
606 C A -0.0249
607 R A -1.7774
608 C A -0.0693
609 P A -0.0833
610 S A -0.2477
611 G A -0.3022
612 T A 0.0000
613 T A -0.0812
614 G A 0.0934
615 V A 1.6755
616 N A 0.0183
617 C A 0.0000
618 E A -0.4921
619 V A 0.8328
620 N A -0.4386
621 I A 1.2396
622 D A -1.6793
623 D A -1.4494
624 C A -0.1081
625 A A 0.0363
626 S A -0.4277
627 N A -1.3202
628 P A -0.2646
629 C A 0.1304
630 T A 0.2008
631 F A 1.4082
632 G A 0.5448
633 V A 1.7810
634 C A 0.1154
635 R A -1.9423
636 D A -0.9557
637 G A -0.2876
638 I A 0.7592
639 N A -1.4331
640 R A -2.0058
641 Y A -0.2770
642 D A -1.7022
643 C A 0.0000
644 V A 0.5039
645 C A 0.0483
646 Q A -1.0000
647 P A -0.5993
648 G A -0.2998
649 F A 0.0000
650 T A 0.0756
651 G A -0.1931
652 P A -0.1554
653 L A 0.6599
654 C A 0.0000
655 N A -1.0370
656 V A 0.7599
657 E A -1.4327
658 I A 0.2450
659 N A -1.2679
660 E A -1.0162
661 C A -0.0080
662 A A 0.0425
663 S A -0.2410
664 S A -0.2607
665 P A -0.0736
666 C A 0.0450
667 G A -0.4491
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1939 G A 0.0649
1940 K A -0.1916
1941 S A 0.0000
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1945 W A 0.2180
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1950 N A -0.3418
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1952 V A 0.2120
1953 E A -1.4582
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.2937
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1960 K A -1.8710
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1962 G A -0.6655
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1966 D A -0.5585
1967 M A -0.0400
1968 Q A -0.5886
1969 D A 0.0000
1970 S A -0.3480
1971 K A -0.9916
1972 E A -1.2956
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 -0.7919
1982 E A -1.6042
1983 G A -0.4412
1984 S A 0.0000
1985 Y A -0.0187
1986 E A -1.4620
1987 A A 0.0000
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1989 K A -1.2545
1990 L A -0.1864
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8043
1994 H A -0.3758
1995 F A 0.8417
1996 A A 0.0000
1997 N A -0.7568
1998 R A -0.7543
1999 E A -1.8176
2000 I A -0.0322
2001 T A -0.0499
2002 D A 0.0000
2003 H A -0.8157
2004 L A -0.0094
2005 D A -0.8489
2006 R A -0.3952
2007 L A 0.2819
2008 P A 0.0000
2009 R A -0.7863
2010 D A -1.0739
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.3630
2014 E A -2.3463
2015 R A -1.7624
2016 L A 1.0769
2017 H A -0.1237
2018 Q A -1.3496
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2021 V A 0.0000
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2100 S A 0.0340
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2265 D A -1.5906
2266 W A 0.7879
2267 S A -0.3372
2268 E A -1.9007
2269 S A -0.5673
2270 T A -0.1567
2271 P A -0.3068
2272 S A -0.3061
2273 P A -0.2829
2274 A A -0.0015
2275 T A -0.0495
2276 A A 0.0325
2277 T A -0.1461
2278 G A -0.4686
2279 A A 0.1634
2280 M A 1.0755
2281 A A 0.2534
2282 T A -0.0766
2283 T A -0.1007
2284 T A -0.1747
2285 G A -0.4682
2286 A A 0.2681
2287 L A 1.5054
2288 P A 0.0823
2289 A A -0.2692
2290 Q A -1.2331
2291 P A -0.1853
2292 L A 1.4519
2293 P A 0.3765
2294 L A 1.4492
2295 S A 0.4440
2296 V A 1.6823
2297 P A 0.0276
2298 S A -0.3101
2299 S A 0.1151
2300 L A 1.5080
2301 A A 0.0572
2302 Q A -1.1736
2303 A A -0.4427
2304 Q A -1.1975
2305 T A -0.5853
2306 Q A -0.9113
2307 L A 1.2189
2308 G A -0.2219
2309 P A -0.6100
2310 Q A -1.3026
2311 P A -0.8422
2312 E A -1.5201
2313 V A 1.4016
2314 T A 0.2749
2315 P A -0.5294
2316 K A -2.0813
2317 R A -2.3888
2318 Q A -1.2005
2319 V A 1.8317
2320 L A 1.8954
2321 A A 0.4301
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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 0.0054 4.9285 View CSV PDB
4.5 -0.0262 4.9285 View CSV PDB
5.0 -0.0648 4.9285 View CSV PDB
5.5 -0.105 4.9285 View CSV PDB
6.0 -0.1415 4.9285 View CSV PDB
6.5 -0.171 4.9285 View CSV PDB
7.0 -0.1933 4.9285 View CSV PDB
7.5 -0.2107 4.9285 View CSV PDB
8.0 -0.2249 4.9285 View CSV PDB
8.5 -0.2356 4.9285 View CSV PDB
9.0 -0.2416 4.9285 View CSV PDB