Project name: C484R_5

Status: done

Started: 2026-05-19 00:21:59
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVRKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:38)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:38)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:29:10)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/a42d4d54a8615ce/tmp/folded.pdb                (00:29:10)
[INFO]       Main:     Simulation completed successfully.                                          (01:05:38)
Show buried residues

Minimal score value
-2.674
Maximal score value
2.6952
Average score
-0.2805
Total score value
-651.1342

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 0.9674
2 G A -0.3194
3 P A -0.4308
4 G A -0.5044
5 A A -0.4588
6 R A -1.9234
7 G A -1.1780
8 R A -2.3175
9 R A -2.6740
10 R A -2.6171
11 R A -2.6244
12 R A -2.6268
13 R A -2.2327
14 P A -0.4690
15 M A 0.9661
16 S A -0.0638
17 P A -0.3484
18 P A -0.3558
19 P A -0.3493
20 P A -0.3595
21 P A -0.3596
22 P A -0.3544
23 P A 0.0265
24 V A 1.3933
25 R A -1.5147
26 A A 0.0056
27 L A 1.5122
28 P A 0.3120
29 L A 1.7871
30 L A 2.1210
31 L A 2.1229
32 L A 2.1236
33 L A 1.8461
34 A A 0.2611
35 G A -0.5020
36 P A -0.4271
37 G A -0.5031
38 A A -0.0174
39 A A 0.0800
40 A A 0.0389
41 P A -0.1892
42 P A -0.1808
43 C A 0.3913
44 L A 1.2462
45 D A -1.5910
46 G A -0.8305
47 S A -0.2926
48 P A 0.0000
49 C A -0.0874
50 A A -0.1222
51 N A -0.9593
52 G A -0.6248
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1466
57 Q A -0.5276
58 L A 0.7733
59 P A -0.1228
60 S A -0.5856
61 R A -2.2168
62 E A -2.1578
63 A A -0.4133
64 A A 0.0258
65 C A 0.3695
66 L A 1.6060
67 C A 0.5088
68 P A -0.0716
69 P A -0.2795
70 G A -0.0900
71 W A 0.0495
72 V A 0.2817
73 G A -0.3599
74 E A -2.0580
75 R A -1.5709
76 C A 0.0000
77 Q A -0.5703
78 L A -0.1831
79 E A -1.7814
80 D A -0.5894
81 P A -0.0715
82 C A -0.0795
83 H A -1.0095
84 S A -0.4766
85 G A -0.5157
86 P A -0.1322
87 C A -0.0040
88 A A 0.0007
89 G A -0.5503
90 R A -1.8962
91 G A -0.0476
92 V A 1.7888
93 C A 0.2852
94 Q A -1.0871
95 S A -0.1816
96 S A -0.1028
97 V A 0.9139
98 V A 1.8992
99 A A 0.2989
100 G A -0.4648
101 T A -0.1341
102 A A 0.0000
103 R A -1.5991
104 F A 0.2920
105 S A -0.0745
106 C A -0.2819
107 R A -1.7867
108 C A -0.1401
109 P A -0.3493
110 R A -1.8660
111 G A -0.2554
112 F A 0.8344
113 R A -0.3386
114 G A -0.2752
115 P A -0.4024
116 D A -0.7191
117 C A 0.0000
118 S A -0.0433
119 L A 0.6273
120 P A -0.0396
121 D A -0.2924
122 P A -0.0843
123 C A 0.2338
124 L A 0.9133
125 S A -0.0794
126 S A -0.2594
127 P A -0.0716
128 C A 0.0677
129 A A -0.1229
130 H A -0.8982
131 G A -0.6113
132 A A -0.3979
133 R A -1.8268
134 C A -0.2788
135 S A -0.0177
136 V A 0.6973
137 G A 0.0406
138 P A -0.5181
139 D A -1.4782
140 G A -0.7176
141 R A -1.8213
142 F A 0.1981
143 L A 1.1394
144 C A 0.2674
145 S A -0.1609
146 C A 0.1320
147 P A -0.0827
148 P A -0.2773
149 G A -0.0867
150 Y A -0.1829
151 Q A -1.2591
152 G A -1.0320
153 R A -1.9394
154 S A -0.3715
155 C A 0.0000
156 R A -1.8835
157 S A -0.6984
158 D A -0.7265
159 V A 0.1663
160 D A -0.3646
161 E A -0.7975
162 C A -0.3449
163 R A -1.4990
164 V A 1.3985
165 G A -0.2143
166 E A -1.8686
167 P A -0.3880
168 C A 0.0000
169 R A -1.9917
170 H A -1.2310
171 G A -0.6231
172 G A -0.1271
173 T A -0.0587
174 C A 0.2147
175 L A 0.4226
176 N A -0.3565
177 T A -0.1002
178 P A -0.2696
179 G A -0.1551
180 S A -0.0865
181 F A -0.0261
182 R A -1.7503
183 C A -0.4572
184 Q A -1.1396
185 C A -0.0225
186 P A -0.0525
187 A A 0.0222
188 G A -0.0062
189 Y A 0.3534
190 T A 0.0264
191 G A -0.2081
192 P A -0.1953
193 L A 0.4490
194 C A 0.0000
195 E A -0.9812
196 N A -1.2779
197 P A -0.3904
198 A A 0.2653
199 V A 1.3780
200 P A 0.2550
201 C A 0.1334
202 A A -0.0163
203 P A -0.2695
204 S A -0.1803
205 P A -0.0700
206 C A -0.3087
207 R A -1.9839
208 N A -1.2554
209 G A -0.6243
210 G A -0.1152
211 T A -0.0606
212 C A -0.2470
213 R A -2.0521
214 Q A -1.5147
215 S A -0.4034
216 G A -0.5300
217 D A -1.6058
218 L A 0.8549
219 T A 0.2271
220 Y A -0.0236
221 D A -1.4727
222 C A 0.0000
223 A A 0.0632
224 C A 0.3701
225 L A 0.8061
226 P A -0.1162
227 G A -0.2844
228 F A -0.2512
229 E A -1.8111
230 G A -0.7468
231 Q A -1.2792
232 N A -0.4618
233 C A 0.0000
234 E A -0.8709
235 V A 0.7345
236 N A -0.7459
237 V A 0.2548
238 D A -1.7837
239 D A -1.0909
240 C A -0.0940
241 P A -0.3242
242 G A -0.6007
243 H A -0.9037
244 R A -1.9320
245 C A 0.0000
246 L A 1.1852
247 N A -0.6427
248 G A -0.6188
249 G A -0.1140
250 T A -0.0620
251 C A 0.2421
252 V A 0.7557
253 D A -0.3432
254 G A 0.1197
255 V A 1.5162
256 N A -0.9700
257 T A -0.2455
258 Y A -0.1017
259 N A -1.2176
260 C A -0.3658
261 Q A -1.1438
262 C A -0.0224
263 P A -0.0609
264 P A -0.3661
265 E A -0.5964
266 W A -0.0156
267 T A -0.0444
268 G A -0.4189
269 Q A -1.1855
270 F A 0.0506
271 C A 0.0000
272 T A -0.3871
273 E A -1.9231
274 D A -0.7882
275 V A 0.0099
276 D A -0.5187
277 E A -0.1863
278 C A -0.1494
279 Q A -0.8959
280 L A 1.0840
281 Q A -0.9627
282 P A -0.6998
283 N A -1.3177
284 A A -0.2223
285 C A 0.0000
286 H A -0.9839
287 N A -1.0650
288 G A -0.6267
289 G A -0.1302
290 T A -0.0453
291 C A 0.4705
292 F A 1.7222
293 N A -0.3434
294 T A 0.0725
295 L A 1.5062
296 G A 0.0476
297 G A -0.1769
298 H A -0.4711
299 S A -0.2421
300 C A 0.3990
301 V A 1.8254
302 C A 0.7878
303 V A 1.3251
304 N A -0.9931
305 G A 0.0000
306 W A 0.1320
307 T A -0.0363
308 G A -0.5613
309 E A -1.8705
310 S A -0.3801
311 C A 0.0000
312 S A -0.4318
313 Q A -1.3044
314 N A -0.4004
315 I A 0.4961
316 D A -1.7109
317 D A -0.7773
318 C A 0.0476
319 A A 0.0676
320 T A -0.0585
321 A A 0.3201
322 V A 1.7057
323 C A 0.6379
324 F A 0.8424
325 H A -0.8926
326 G A -0.6440
327 A A -0.0596
328 T A -0.0387
329 C A 0.0894
330 H A -0.4017
331 D A -0.7650
332 R A -1.6569
333 V A 1.1504
334 A A 0.2790
335 S A -0.2272
336 F A 0.4961
337 Y A 1.0797
338 C A 0.0000
339 A A 0.0766
340 C A 0.2726
341 P A 0.1493
342 M A 1.0163
343 G A -0.0586
344 K A -0.8706
345 T A -0.1318
346 G A 0.1730
347 L A 1.5858
348 L A 0.5817
349 C A 0.0000
350 H A -0.3869
351 L A -0.1906
352 D A -1.8894
353 D A -0.7598
354 A A -0.0366
355 C A 0.4185
356 V A 1.7518
357 S A -0.1175
358 N A -1.3332
359 P A -0.3389
360 C A 0.0123
361 H A -0.5810
362 E A -2.1915
363 D A -2.1170
364 A A 0.0745
365 I A 2.0408
366 C A 0.2010
367 D A -1.7628
368 T A 0.0000
369 N A 0.0000
370 P A 0.0547
371 V A 1.6080
372 N A -0.3529
373 G A -0.2672
374 R A -0.3150
375 A A 0.0797
376 I A 0.7164
377 C A 0.2200
378 T A -0.0193
379 C A 0.1774
380 P A 0.0000
381 P A -0.2635
382 G A -0.0289
383 F A 0.2038
384 T A -0.1360
385 G A -0.2013
386 G A -0.0827
387 A A 0.0224
388 C A 0.0000
389 D A -2.0004
390 Q A -1.5704
391 D A -0.5461
392 V A 0.0256
393 D A -0.8800
394 E A -0.4246
395 C A 0.0663
396 S A 0.1802
397 I A 1.8877
398 G A -0.0833
399 A A -0.2386
400 N A -1.1483
401 P A -0.2402
402 C A 0.0000
403 E A -1.5853
404 H A -0.3747
405 L A 1.4796
406 G A 0.0000
407 R A -1.9695
408 C A 0.0000
409 V A 0.4534
410 N A -0.2518
411 T A -0.2652
412 Q A -1.2156
413 G A -0.3191
414 S A -0.0612
415 F A 0.6978
416 L A 1.2986
417 C A 0.0692
418 Q A -1.3335
419 C A -0.0398
420 G A -0.6021
421 R A -1.9006
422 G A 0.0000
423 Y A -0.0416
424 T A -0.0376
425 G A -0.2157
426 P A -0.5541
427 R A -1.5583
428 C A 0.0000
429 E A -1.4320
430 T A -0.6330
431 D A -1.6277
432 V A 0.3377
433 N A -0.6193
434 E A -0.4156
435 C A 0.2057
436 L A 0.8792
437 S A -0.1325
438 G A -0.5107
439 P A -0.1009
440 C A -0.1654
441 R A -1.9523
442 N A -1.2285
443 Q A -1.3179
444 A A -0.2003
445 T A -0.0437
446 C A 0.2776
447 L A 0.4653
448 D A -1.9432
449 R A -1.8789
450 I A 1.6734
451 G A 0.0000
452 Q A -0.9071
453 F A -0.0683
454 T A 0.0450
455 C A 0.4202
456 I A 1.8758
457 C A 0.6509
458 M A 0.5879
459 A A 0.1495
460 G A -0.1916
461 F A -0.0234
462 T A -0.0493
463 G A -0.2503
464 T A 0.0202
465 Y A 0.7317
466 C A 0.0000
467 E A -0.5998
468 V A 0.6943
469 D A -1.1988
470 I A 0.2121
471 D A -0.9782
472 E A -1.5493
473 C A 0.0000
474 Q A -1.2371
475 S A -0.4691
476 S A -0.2589
477 P A -0.0703
478 C A 0.2361
479 V A 0.8188
480 N A -0.7342
481 G A -0.6250
482 G A 0.2070
483 V A 1.4200
484 R A -1.8168
485 K A -2.1421
486 D A -1.1716
487 R A -1.6291
488 V A 1.1986
489 N A -0.9764
490 G A -0.2036
491 F A 0.6846
492 S A 0.1234
493 C A -0.1525
494 T A -0.0225
495 C A 0.1285
496 P A -0.1069
497 S A -0.2413
498 G A -0.3058
499 F A -0.0089
500 S A 0.0266
501 G A -0.3946
502 S A -0.2767
503 T A -0.0426
504 C A 0.0000
505 Q A -0.9552
506 L A 0.7778
507 D A -1.4023
508 V A -0.0860
509 D A -1.8378
510 E A -1.1577
511 C A -0.0489
512 A A 0.0371
513 S A -0.2150
514 T A -0.1153
515 P A -0.0479
516 C A 0.0000
517 R A -1.3584
518 N A -1.3115
519 G A -0.6463
520 A A -0.3549
521 K A -1.6988
522 C A 0.0000
523 V A 0.2844
524 D A -1.8290
525 Q A -1.5801
526 P A -0.7925
527 D A -1.8667
528 G A -0.4753
529 Y A -0.0686
530 E A -1.6648
531 C A -0.5907
532 R A -1.7818
533 C A -0.0844
534 A A -0.2614
535 E A -1.8272
536 G A -0.3424
537 F A -0.0729
538 E A -1.3071
539 G A -0.5890
540 T A -0.0627
541 L A 0.3764
542 C A 0.0000
543 D A -2.1236
544 R A -2.2734
545 N A -0.7371
546 V A 0.3121
547 D A -1.7881
548 D A -1.0485
549 C A -0.2805
550 S A -0.2663
551 P A -0.6330
552 D A -1.8283
553 P A -0.3506
554 C A 0.0000
555 H A -1.0735
556 H A -0.6631
557 G A -0.4987
558 R A -1.8477
559 C A -0.0802
560 V A 0.7731
561 D A -0.6985
562 G A 0.0325
563 I A 1.9927
564 A A 0.3588
565 S A -0.0773
566 F A 0.3454
567 S A -0.0974
568 C A 0.0724
569 A A -0.0850
570 C A 0.2410
571 A A 0.0132
572 P A -0.2500
573 G A 0.0000
574 Y A 0.0077
575 T A -0.0533
576 G A -0.2881
577 T A -0.3061
578 R A -1.0523
579 C A 0.0000
580 E A -1.7791
581 S A -0.6730
582 Q A -1.1140
583 V A 0.0331
584 D A -1.0989
585 E A -0.5272
586 C A 0.0000
587 R A -1.8829
588 S A -0.7657
589 Q A -1.2420
590 P A -0.2321
591 C A -0.2867
592 R A -1.8272
593 H A -0.8443
594 G A -0.5545
595 G A -0.4107
596 K A -1.7108
597 C A 0.0000
598 L A 0.0323
599 D A -1.4883
600 L A 0.8874
601 V A 1.6428
602 D A -1.7787
603 K A -1.8435
604 Y A 0.0260
605 L A 1.0202
606 C A -0.0965
607 R A -1.7818
608 C A -0.0860
609 P A -0.0835
610 S A -0.2473
611 G A -0.3111
612 T A 0.0000
613 T A -0.0892
614 G A 0.0752
615 V A 1.6942
616 N A 0.1311
617 C A 0.0000
618 E A -0.5185
619 V A 0.9569
620 N A -0.2239
621 I A 0.6890
622 D A -1.7568
623 D A -1.2996
624 C A -0.0924
625 A A 0.0332
626 S A -0.4271
627 N A -1.3208
628 P A -0.2743
629 C A 0.1473
630 T A 0.1126
631 F A 0.8904
632 G A 0.2628
633 V A 1.3830
634 C A 0.0194
635 R A -1.9239
636 D A -0.8262
637 G A -0.1665
638 I A 1.1137
639 N A -1.3665
640 R A -2.0097
641 Y A -0.3016
642 D A -1.7086
643 C A 0.0000
644 V A 0.6219
645 C A 0.0697
646 Q A -0.9910
647 P A -0.4332
648 G A 0.0000
649 F A -0.0860
650 T A -0.0368
651 G A -0.2168
652 P A -0.1375
653 L A 0.7781
654 C A 0.0000
655 N A -0.9843
656 V A 1.0578
657 E A -1.2963
658 I A 0.5673
659 N A -1.1272
660 E A -0.5605
661 C A 0.0811
662 A A 0.0446
663 S A -0.2408
664 S A -0.2611
665 P A -0.0776
666 C A 0.0421
667 G A -0.4881
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1936 D A 0.0000
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1938 L A 0.4417
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1940 K A -0.2034
1941 S A 0.0000
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1945 W A 0.1975
1946 A A 0.0000
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1949 V A 0.7927
1950 N A -0.3237
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1952 V A 0.1178
1953 E A -1.7331
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5319
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1960 K A -1.9032
1961 N A -1.6670
1962 G A -0.6971
1963 A A 0.0000
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1965 K A -0.7944
1966 D A -0.6776
1967 M A -0.0717
1968 Q A -0.6826
1969 D A 0.0000
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1971 K A -0.9759
1972 E A -1.5305
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 -0.8653
1982 E A -1.9470
1983 G A -0.4920
1984 S A 0.0000
1985 Y A 0.1389
1986 E A -1.5363
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.1638
1990 L A 0.0074
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8537
1994 H A -0.3339
1995 F A 1.8776
1996 A A 0.0000
1997 N A -0.8157
1998 R A -0.8412
1999 E A -1.8286
2000 I A -0.0021
2001 T A -0.1017
2002 D A 0.0000
2003 H A -0.4331
2004 L A -0.1170
2005 D A -1.7861
2006 R A -0.4963
2007 L A 0.4228
2008 P A 0.0000
2009 R A -1.2674
2010 D A -0.9000
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.7409
2014 E A -1.5277
2015 R A -1.7595
2016 L A 1.1062
2017 H A -0.1032
2018 Q A -1.0977
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2100 S A 0.0324
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2266 W A 0.7727
2267 S A -0.2955
2268 E A -1.9030
2269 S A -0.5835
2270 T A -0.1621
2271 P A -0.3137
2272 S A -0.3211
2273 P A -0.2885
2274 A A -0.0057
2275 T A -0.0451
2276 A A 0.0265
2277 T A -0.1536
2278 G A -0.4686
2279 A A 0.1594
2280 M A 1.0789
2281 A A 0.3068
2282 T A -0.0737
2283 T A -0.0989
2284 T A -0.1772
2285 G A -0.4690
2286 A A 0.2579
2287 L A 1.5104
2288 P A 0.0490
2289 A A -0.2173
2290 Q A -1.2366
2291 P A -0.1959
2292 L A 1.4491
2293 P A 0.3417
2294 L A 1.4603
2295 S A 0.4073
2296 V A 1.6840
2297 P A 0.0442
2298 S A -0.3038
2299 S A 0.0284
2300 L A 1.5195
2301 A A 0.1239
2302 Q A -1.1770
2303 A A -0.3788
2304 Q A -1.2006
2305 T A -0.5103
2306 Q A -0.9265
2307 L A 1.2412
2308 G A -0.2277
2309 P A -0.5610
2310 Q A -1.2917
2311 P A -0.8088
2312 E A -1.5402
2313 V A 1.4243
2314 T A 0.2108
2315 P A -0.5800
2316 K A -2.0898
2317 R A -2.3864
2318 Q A -1.3490
2319 V A 1.1144
2320 L A 1.7569
2321 A A 0.3514
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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 -0.0021 5.0063 View CSV PDB
4.5 -0.035 5.0063 View CSV PDB
5.0 -0.075 5.0063 View CSV PDB
5.5 -0.1161 5.0063 View CSV PDB
6.0 -0.1535 5.0063 View CSV PDB
6.5 -0.1838 5.0063 View CSV PDB
7.0 -0.207 5.0063 View CSV PDB
7.5 -0.2252 5.0063 View CSV PDB
8.0 -0.2402 5.0063 View CSV PDB
8.5 -0.2516 5.0063 View CSV PDB
9.0 -0.2579 5.0063 View CSV PDB