Project name: T465C_5

Status: done

Started: 2026-05-22 01:20:59
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTCCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:42)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:43)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:51:18)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/554f2fd6f701695/tmp/folded.pdb                (00:51:18)
[INFO]       Main:     Simulation completed successfully.                                          (01:28:43)
Show buried residues

Minimal score value
-2.5287
Maximal score value
2.7133
Average score
-0.2789
Total score value
-647.4011

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 0.9671
2 G A -0.3176
3 P A -0.4259
4 G A -0.5026
5 A A -0.3666
6 R A -1.9187
7 G A -1.1417
8 R A -2.2667
9 R A -2.5203
10 R A -2.5256
11 R A -2.5287
12 R A -2.5273
13 R A -2.2322
14 P A -0.3988
15 M A 0.9661
16 S A -0.0632
17 P A -0.3407
18 P A -0.3484
19 P A -0.3486
20 P A -0.3488
21 P A -0.3485
22 P A -0.3485
23 P A 0.0307
24 V A 1.3798
25 R A -1.5011
26 A A 0.0032
27 L A 1.5111
28 P A 0.3357
29 L A 1.8005
30 L A 2.1495
31 L A 2.1513
32 L A 2.1464
33 L A 1.8535
34 A A 0.2629
35 G A -0.5018
36 P A -0.4261
37 G A -0.5025
38 A A -0.0202
39 A A 0.0600
40 A A -0.0173
41 P A -0.2792
42 P A -0.1599
43 C A 0.4729
44 L A 1.2642
45 D A -1.5946
46 G A -0.8152
47 S A -0.2263
48 P A -0.1034
49 C A -0.0001
50 A A -0.1289
51 N A -0.9927
52 G A -0.6320
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1378
57 Q A -0.5369
58 L A 0.5010
59 P A -0.1727
60 S A -0.5861
61 R A -2.2159
62 E A -2.1583
63 A A 0.0000
64 A A 0.0261
65 C A 0.3704
66 L A 1.6067
67 C A 0.5120
68 P A -0.0691
69 P A -0.2775
70 G A -0.0831
71 W A 0.0532
72 V A 0.2912
73 G A -0.3620
74 E A -1.9131
75 R A -0.7591
76 C A 0.0000
77 Q A -0.4209
78 L A -0.1678
79 E A -1.7860
80 D A -0.5884
81 P A -0.0719
82 C A -0.0787
83 H A -1.0090
84 S A -0.4769
85 G A -0.5153
86 P A -0.1298
87 C A -0.0186
88 A A -0.0046
89 G A -0.5784
90 R A -1.9005
91 G A -0.0543
92 V A 1.7382
93 C A 0.3737
94 Q A -0.4116
95 S A -0.0836
96 S A -0.0720
97 V A 1.0562
98 V A 1.8636
99 A A 0.2872
100 G A -0.4645
101 T A -0.1325
102 A A 0.0000
103 R A -1.7076
104 F A 0.3286
105 S A -0.0609
106 C A -0.2810
107 R A -1.7847
108 C A -0.1337
109 P A -0.3484
110 R A -1.8638
111 G A -0.2224
112 F A 0.8288
113 R A -0.2748
114 G A -0.2713
115 P A -0.4247
116 D A -0.8303
117 C A 0.0000
118 S A -0.0279
119 L A 0.7617
120 P A -0.0471
121 D A -0.4490
122 P A -0.0801
123 C A 0.2821
124 L A 0.9259
125 S A -0.0789
126 S A -0.2570
127 P A -0.0578
128 C A 0.0772
129 A A -0.1313
130 H A -0.9557
131 G A -0.6230
132 A A -0.4026
133 R A -1.8046
134 C A -0.1708
135 S A -0.0637
136 V A 0.5788
137 G A 0.0201
138 P A -0.5865
139 D A -1.8533
140 G A -0.6416
141 R A -1.1932
142 F A 0.2407
143 L A 0.8510
144 C A 0.2512
145 S A -0.0467
146 C A 0.1377
147 P A -0.0839
148 P A -0.2759
149 G A -0.0445
150 Y A -0.1844
151 Q A -1.2593
152 G A -1.0302
153 R A -1.9306
154 S A 0.0000
155 C A 0.0000
156 R A -1.8836
157 S A -0.6951
158 D A -0.7054
159 V A 0.1442
160 D A -0.3854
161 E A -0.7368
162 C A -0.3265
163 R A -1.4971
164 V A 1.3790
165 G A -0.3174
166 E A -1.8850
167 P A -0.3749
168 C A 0.0000
169 R A -1.5893
170 H A -1.2232
171 G A -0.6237
172 G A 0.0000
173 T A -0.0516
174 C A 0.2341
175 L A 0.6571
176 N A -0.2505
177 T A 0.0000
178 P A -0.2662
179 G A -0.1428
180 S A -0.0834
181 F A -0.0368
182 R A -1.7541
183 C A -0.4661
184 Q A -1.1390
185 C A -0.0128
186 P A -0.0552
187 A A 0.0191
188 G A -0.0226
189 Y A 0.3375
190 T A 0.0170
191 G A -0.2346
192 P A -0.2182
193 L A 0.3501
194 C A 0.0000
195 E A -0.9119
196 N A -1.3633
197 P A -0.4119
198 A A 0.2690
199 V A 1.4294
200 P A 0.2629
201 C A 0.1419
202 A A -0.0044
203 P A -0.2666
204 S A -0.1776
205 P A -0.0776
206 C A -0.3010
207 R A -1.8830
208 N A -0.7041
209 G A -0.5258
210 G A -0.1131
211 T A -0.0604
212 C A -0.2470
213 R A -2.0504
214 Q A -1.5344
215 S A -0.4230
216 G A -0.5420
217 D A -1.5799
218 L A 1.0133
219 T A 0.2290
220 Y A -0.1982
221 D A -1.7259
222 C A 0.0000
223 A A 0.0724
224 C A 0.3923
225 L A 0.8307
226 P A -0.1135
227 G A -0.2559
228 F A -0.1503
229 E A -1.8370
230 G A -0.8988
231 Q A -1.2972
232 N A -0.4043
233 C A 0.0000
234 E A -1.4239
235 V A 0.7492
236 N A -0.0953
237 V A 0.2370
238 D A -1.7527
239 D A -0.7719
240 C A -0.0403
241 P A -0.3246
242 G A -0.6042
243 H A -0.9214
244 R A -1.9351
245 C A 0.0000
246 L A 0.9544
247 N A -0.6681
248 G A -0.6156
249 G A -0.1122
250 T A -0.0616
251 C A 0.2504
252 V A 0.7538
253 D A -0.5763
254 G A 0.1064
255 V A 1.5214
256 N A -0.9720
257 T A -0.2491
258 Y A -0.0807
259 N A -1.2077
260 C A -0.3632
261 Q A -1.1440
262 C A -0.0307
263 P A -0.0626
264 P A -0.3721
265 E A -0.6135
266 W A -0.0217
267 T A -0.2314
268 G A -0.4077
269 Q A -1.1770
270 F A 0.0865
271 C A 0.0000
272 T A -0.3727
273 E A -1.9178
274 D A -0.7516
275 V A 0.0084
276 D A -0.5238
277 E A -0.2086
278 C A -0.1537
279 Q A -0.8959
280 L A 1.0855
281 Q A -0.9441
282 P A -0.6976
283 N A -1.3178
284 A A -0.2232
285 C A 0.0000
286 H A -0.9042
287 N A -0.9762
288 G A -0.6132
289 G A -0.1449
290 T A -0.0452
291 C A 0.4847
292 F A 1.8281
293 N A -0.3210
294 T A 0.0861
295 L A 1.5096
296 G A 0.1103
297 G A -0.1589
298 H A -0.5014
299 S A -0.2529
300 C A 0.1785
301 V A 0.6160
302 C A 0.3071
303 V A 0.5706
304 N A -0.6795
305 G A 0.0000
306 W A 0.1372
307 T A -0.0355
308 G A -0.5648
309 E A -1.8693
310 S A -0.3732
311 C A 0.0000
312 S A -0.4134
313 Q A -1.2975
314 N A -0.3700
315 I A 0.6129
316 D A -1.3091
317 D A -0.7268
318 C A 0.0349
319 A A 0.0661
320 T A -0.0588
321 A A 0.3354
322 V A 1.7965
323 C A 0.6966
324 F A 0.9758
325 H A -0.8675
326 G A -0.6450
327 A A -0.0592
328 T A -0.0373
329 C A 0.0593
330 H A -0.5567
331 D A -1.2556
332 R A -1.7279
333 V A 1.2664
334 A A 0.2849
335 S A -0.2335
336 F A 0.5942
337 Y A 0.9797
338 C A 0.0000
339 A A 0.0782
340 C A 0.2681
341 P A 0.1475
342 M A 1.0197
343 G A -0.0130
344 K A -0.7649
345 T A -0.1079
346 G A 0.2107
347 L A 1.6051
348 L A 0.6574
349 C A 0.0000
350 H A -0.3561
351 L A -0.1299
352 D A -1.8532
353 D A -0.6875
354 A A -0.0237
355 C A 0.3579
356 V A 1.5000
357 S A -0.1623
358 N A -1.3329
359 P A -0.3370
360 C A 0.0112
361 H A -0.5460
362 E A -2.1873
363 D A -2.1193
364 A A 0.0743
365 I A 2.0457
366 C A 0.2246
367 D A -1.7577
368 T A 0.0000
369 N A -0.2860
370 P A -0.0423
371 V A 0.5775
372 N A -1.1315
373 G A -0.6152
374 R A -1.8523
375 A A -0.2000
376 I A 0.7842
377 C A 0.2423
378 T A 0.0309
379 C A 0.1860
380 P A -0.0359
381 P A -0.2695
382 G A -0.0424
383 F A 0.1565
384 T A -0.0681
385 G A -0.4872
386 G A -0.5346
387 A A -0.0505
388 C A 0.0000
389 D A -2.0085
390 Q A -1.6028
391 D A -0.5590
392 V A 0.0243
393 D A -0.8935
394 E A -0.4159
395 C A 0.0157
396 S A 0.1706
397 I A 1.8876
398 G A -0.0825
399 A A -0.2392
400 N A -1.1471
401 P A -0.2341
402 C A 0.0000
403 E A -1.6768
404 H A -0.6194
405 L A 1.4369
406 G A 0.0000
407 R A -1.9666
408 C A 0.0000
409 V A 0.5744
410 N A -0.2213
411 T A -0.2647
412 Q A -1.2133
413 G A -0.3122
414 S A -0.0617
415 F A 0.6846
416 L A 1.3962
417 C A 0.0883
418 Q A -1.3294
419 C A -0.0385
420 G A -0.5498
421 R A -1.8906
422 G A 0.0000
423 Y A 0.0214
424 T A -0.0337
425 G A -0.2066
426 P A -0.5200
427 R A -1.3737
428 C A 0.0000
429 E A -1.1517
430 T A -0.4877
431 D A -1.1346
432 V A 0.3656
433 N A -0.5054
434 E A -0.4044
435 C A 0.3393
436 L A 1.5304
437 S A -0.0159
438 G A -0.5117
439 P A -0.1052
440 C A -0.2429
441 R A -1.9309
442 N A -1.1109
443 Q A -1.2971
444 A A -0.2006
445 T A -0.0424
446 C A 0.2295
447 L A 0.2614
448 D A -1.7533
449 R A -1.7556
450 I A 1.6719
451 G A 0.0000
452 Q A -1.1359
453 F A -0.0809
454 T A 0.0317
455 C A 0.4057
456 I A 1.7915
457 C A 0.6016
458 M A 0.4286
459 A A 0.1205
460 G A -0.2366
461 F A -0.0508
462 T A -0.0489
463 G A -0.2561
464 T A -0.0901
465 C A 0.1284
466 C A 0.0000
467 E A -0.6358
468 V A 0.6363
469 D A -1.4508
470 I A 0.0182
471 D A -1.1883
472 E A -1.0911
473 C A -0.2826
474 Q A -1.2196
475 S A -0.4693
476 S A -0.2588
477 P A -0.0672
478 C A 0.2474
479 V A 0.8638
480 N A -0.7916
481 G A -0.6381
482 G A 0.2023
483 V A 1.7880
484 C A 0.2249
485 K A -1.7004
486 D A -2.2999
487 R A -1.8437
488 V A 1.2047
489 N A -0.9766
490 G A -0.2179
491 F A 0.3833
492 S A 0.0976
493 C A 0.1013
494 T A 0.0011
495 C A 0.1478
496 P A -0.1117
497 S A -0.2324
498 G A 0.0000
499 F A 0.0501
500 S A 0.0292
501 G A -0.4010
502 S A -0.2779
503 T A -0.0416
504 C A 0.0000
505 Q A -0.9659
506 L A 0.6989
507 D A -1.3892
508 V A 0.0588
509 D A -1.5656
510 E A -0.6782
511 C A 0.0299
512 A A 0.0360
513 S A -0.2148
514 T A -0.1156
515 P A -0.0509
516 C A 0.0000
517 R A -2.0154
518 N A -1.4603
519 G A -0.6515
520 A A -0.3578
521 K A -1.6839
522 C A -0.1193
523 V A 0.2776
524 D A -1.6675
525 Q A -1.5074
526 P A -0.7871
527 D A -1.8559
528 G A -0.4368
529 Y A 0.1041
530 E A -1.5248
531 C A -0.5507
532 R A -1.7837
533 C A -0.0952
534 A A -0.2616
535 E A -1.8256
536 G A -0.1360
537 F A -0.0900
538 E A -1.1179
539 G A -0.5058
540 T A -0.0457
541 L A 0.4213
542 C A 0.0000
543 D A -2.0654
544 R A -2.3241
545 N A -1.0968
546 V A 0.2002
547 D A -1.7719
548 D A -0.9003
549 C A -0.2068
550 S A -0.2598
551 P A -0.6303
552 D A -1.8257
553 P A -0.3475
554 C A 0.0000
555 H A -1.0653
556 H A -0.6195
557 G A -0.5023
558 R A -1.8550
559 C A -0.0824
560 V A 0.5820
561 D A -1.5730
562 G A -0.1613
563 I A 1.9794
564 A A 0.3561
565 S A -0.0487
566 F A 0.4420
567 S A -0.0610
568 C A 0.0775
569 A A 0.1238
570 C A 0.2803
571 A A 0.0325
572 P A -0.2609
573 G A -0.2608
574 Y A 0.0717
575 T A -0.0367
576 G A -0.2689
577 T A -0.3168
578 R A -1.1367
579 C A 0.0000
580 E A -1.7676
581 S A -0.6553
582 Q A -1.0912
583 V A 0.1080
584 D A -1.1583
585 E A -0.5587
586 C A -0.2983
587 R A -1.8670
588 S A -0.7679
589 Q A -1.2430
590 P A -0.2417
591 C A -0.3029
592 R A -1.9044
593 H A -0.8200
594 G A -0.5477
595 G A -0.4167
596 K A -1.6975
597 C A -0.1579
598 L A 0.0778
599 D A -1.5449
600 L A 0.6640
601 V A 1.5675
602 D A -1.7822
603 K A -1.9442
604 Y A 0.1750
605 L A 1.3677
606 C A -0.0112
607 R A -1.7794
608 C A -0.0848
609 P A -0.0854
610 S A -0.2476
611 G A -0.2984
612 T A 0.0000
613 T A -0.0875
614 G A 0.0851
615 V A 1.6871
616 N A 0.0863
617 C A 0.0000
618 E A -0.3693
619 V A 0.8364
620 N A -0.4530
621 I A 0.9679
622 D A -1.7175
623 D A -1.4031
624 C A 0.0000
625 A A 0.0215
626 S A -0.4292
627 N A -1.3218
628 P A -0.2742
629 C A 0.1175
630 T A 0.1194
631 F A 0.9434
632 G A 0.3365
633 V A 1.7791
634 C A 0.1072
635 R A -1.9391
636 D A -0.9248
637 G A -0.2659
638 I A 0.8304
639 N A -1.4187
640 R A -1.9920
641 Y A -0.2060
642 D A -1.6889
643 C A 0.0000
644 V A 0.6559
645 C A 0.0396
646 Q A -1.2231
647 P A -0.6390
648 G A -0.2340
649 F A 0.1057
650 T A 0.1577
651 G A -0.1957
652 P A -0.1733
653 L A 0.5621
654 C A 0.0000
655 N A -0.9840
656 V A 1.0369
657 E A -1.2884
658 I A 0.5101
659 N A -1.1294
660 E A -0.5202
661 C A 0.0641
662 A A 0.0395
663 S A -0.2414
664 S A -0.2618
665 P A -0.0774
666 C A 0.0550
667 G A -0.4077
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1907 S A 0.0000
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1911 I A 0.0000
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1914 A A 0.0000
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1916 L A 0.8098
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1918 V A 0.0000
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1928 S A -0.2237
1929 H A -1.0002
1930 A A 0.0000
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1932 V A -0.1510
1933 N A -0.4335
1934 A A 0.0000
1935 V A 0.3913
1936 D A 0.0000
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1938 L A 0.4948
1939 G A 0.0719
1940 K A -0.2284
1941 S A 0.0000
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1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.1563
1946 A A 0.0000
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1948 A A 0.1733
1949 V A 0.7646
1950 N A -0.3283
1951 N A -0.1253
1952 V A 0.0828
1953 E A -1.7404
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6701
1957 A A 0.1276
1958 L A 0.0000
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1960 K A -1.8969
1961 N A -1.6230
1962 G A -0.6908
1963 A A 0.0000
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1965 K A -0.8364
1966 D A -0.7190
1967 M A -0.0710
1968 Q A -0.7325
1969 D A 0.0000
1970 S A -0.4047
1971 K A -1.2673
1972 E A -1.1563
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 -0.9232
1982 E A -1.9585
1983 G A -0.5000
1984 S A 0.0000
1985 Y A 0.1468
1986 E A -0.6952
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.2733
1990 L A -0.0398
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8288
1994 H A -0.3756
1995 F A 0.8823
1996 A A 0.0000
1997 N A -0.4458
1998 R A -0.7500
1999 E A -1.8252
2000 I A -0.0145
2001 T A -0.1404
2002 D A 0.0000
2003 H A -0.5969
2004 L A 1.0687
2005 D A -1.5743
2006 R A -0.6009
2007 L A 0.3012
2008 P A 0.0000
2009 R A -0.7887
2010 D A -1.0843
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.0078
2014 E A -1.3205
2015 R A -1.3142
2016 L A 1.1471
2017 H A -0.1216
2018 Q A -1.4000
2019 D A -1.1423
2020 I A 0.0000
2021 V A 0.0000
2022 R A -1.9586
2023 L A -0.1819
2024 L A 0.0000
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2100 S A 0.0386
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2110 P A -0.2824
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2266 W A 0.8035
2267 S A -0.3304
2268 E A -1.9014
2269 S A -0.5820
2270 T A -0.1634
2271 P A -0.3086
2272 S A -0.3100
2273 P A -0.2857
2274 A A -0.0035
2275 T A -0.0461
2276 A A 0.0286
2277 T A -0.1493
2278 G A -0.4690
2279 A A 0.1679
2280 M A 1.0762
2281 A A 0.2579
2282 T A -0.0729
2283 T A -0.0997
2284 T A -0.1849
2285 G A -0.4705
2286 A A 0.3484
2287 L A 1.5097
2288 P A 0.0737
2289 A A -0.2903
2290 Q A -1.2332
2291 P A -0.1778
2292 L A 1.4500
2293 P A 0.3786
2294 L A 1.4511
2295 S A 0.4593
2296 V A 1.6794
2297 P A 0.0205
2298 S A -0.3110
2299 S A 0.1145
2300 L A 1.5082
2301 A A 0.0559
2302 Q A -1.1733
2303 A A -0.4499
2304 Q A -1.1973
2305 T A -0.5855
2306 Q A -0.9133
2307 L A 1.2239
2308 G A -0.2364
2309 P A -0.6133
2310 Q A -1.3017
2311 P A -0.8491
2312 E A -1.5116
2313 V A 1.3910
2314 T A 0.2858
2315 P A -0.5503
2316 K A -2.0888
2317 R A -2.3868
2318 Q A -1.1420
2319 V A 1.7904
2320 L A 1.8879
2321 A A 0.4313
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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 4.6678 View CSV PDB
4.5 -0.0346 4.6678 View CSV PDB
5.0 -0.0739 4.6678 View CSV PDB
5.5 -0.1143 4.6678 View CSV PDB
6.0 -0.1507 4.6678 View CSV PDB
6.5 -0.18 4.6678 View CSV PDB
7.0 -0.2022 4.6678 View CSV PDB
7.5 -0.2197 4.6678 View CSV PDB
8.0 -0.2342 4.6678 View CSV PDB
8.5 -0.2452 4.6678 View CSV PDB
9.0 -0.2512 4.6678 View CSV PDB