Project name: M1103V_5

Status: done

Started: 2026-05-21 00:17:16
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQSCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:22)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:22)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:30:31)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/4dde269429702e0/tmp/folded.pdb                (00:30:31)
[INFO]       Main:     Simulation completed successfully.                                          (01:26:14)
Show buried residues

Minimal score value
-2.54
Maximal score value
2.6501
Average score
-0.2787
Total score value
-646.9221

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 0.9695
2 G A -0.3230
3 P A -0.4251
4 G A -0.5023
5 A A -0.3678
6 R A -1.9208
7 G A -1.1495
8 R A -2.2609
9 R A -2.5195
10 R A -2.5335
11 R A -2.5400
12 R A -2.5294
13 R A -2.2255
14 P A -0.3976
15 M A 0.9673
16 S A -0.0645
17 P A -0.3399
18 P A -0.3477
19 P A -0.3479
20 P A -0.3479
21 P A -0.3480
22 P A -0.3480
23 P A 0.0263
24 V A 1.3870
25 R A -1.5076
26 A A 0.0014
27 L A 1.5119
28 P A 0.3131
29 L A 1.7860
30 L A 2.1164
31 L A 2.1173
32 L A 2.1138
33 L A 1.8383
34 A A 0.2594
35 G A -0.5015
36 P A -0.4257
37 G A -0.5026
38 A A -0.0184
39 A A 0.0790
40 A A 0.0490
41 P A -0.0759
42 P A -0.0381
43 C A 0.3340
44 L A 1.1565
45 D A -1.6054
46 G A -0.8057
47 S A -0.2283
48 P A -0.2581
49 C A -0.0225
50 A A -0.1324
51 N A -1.0022
52 G A -0.6441
53 G A -0.4429
54 R A -1.7415
55 C A 0.2615
56 T A -0.1317
57 Q A -1.0852
58 L A 0.3610
59 P A -0.1666
60 S A -0.5102
61 R A -2.2046
62 E A -2.1606
63 A A 0.0000
64 A A 0.0268
65 C A 0.4366
66 L A 1.6042
67 C A 0.5012
68 P A -0.0721
69 P A -0.2794
70 G A -0.0921
71 W A 0.0358
72 V A 0.2840
73 G A -0.3380
74 E A -1.7726
75 R A -0.7611
76 C A 0.0000
77 Q A -0.4323
78 L A -0.1666
79 E A -1.7860
80 D A -0.5925
81 P A -0.0724
82 C A -0.0795
83 H A -1.0093
84 S A -0.4773
85 G A -0.5161
86 P A -0.1346
87 C A -0.0117
88 A A -0.0140
89 G A -0.6269
90 R A -1.9095
91 G A -0.0486
92 V A 1.7890
93 C A 0.3120
94 Q A -0.9422
95 S A -0.1563
96 S A -0.0760
97 V A 1.0356
98 V A 1.9213
99 A A 0.2986
100 G A -0.4650
101 T A -0.1352
102 A A 0.0000
103 R A -1.6860
104 F A 0.3020
105 S A -0.0680
106 C A -0.2788
107 R A -1.7853
108 C A -0.1400
109 P A -0.3758
110 R A -1.8669
111 G A -0.2168
112 F A 0.9565
113 R A -0.2260
114 G A -0.2613
115 P A -0.4123
116 D A -0.7706
117 C A 0.0000
118 S A -0.0366
119 L A 0.6644
120 P A -0.0279
121 D A -0.3415
122 P A -0.0818
123 C A 0.2918
124 L A 1.1282
125 S A -0.0412
126 S A -0.2600
127 P A -0.0743
128 C A 0.0652
129 A A -0.1174
130 H A -0.8537
131 G A -0.6044
132 A A -0.4032
133 R A -1.8116
134 C A -0.1992
135 S A -0.0235
136 V A 0.7094
137 G A 0.0413
138 P A -0.5865
139 D A -1.8458
140 G A -0.7118
141 R A -1.7859
142 F A 0.2481
143 L A 0.8206
144 C A 0.2330
145 S A -0.0523
146 C A 0.1327
147 P A -0.0844
148 P A -0.2764
149 G A -0.0436
150 Y A -0.2043
151 Q A -1.2611
152 G A -1.0308
153 R A -1.9399
154 S A -0.3753
155 C A 0.0000
156 R A -1.8835
157 S A -0.7145
158 D A -0.8071
159 V A 0.1758
160 D A -0.2454
161 E A -0.3005
162 C A -0.2509
163 R A -1.4971
164 V A 1.3824
165 G A -0.2961
166 E A -1.8809
167 P A -0.3736
168 C A 0.0000
169 R A -1.7166
170 H A -1.2202
171 G A -0.6288
172 G A -0.1223
173 T A -0.0595
174 C A 0.2340
175 L A 0.5522
176 N A -0.4752
177 T A -0.1203
178 P A -0.2673
179 G A -0.1399
180 S A -0.0549
181 F A 0.0353
182 R A -1.7334
183 C A -0.4623
184 Q A -1.1386
185 C A -0.0209
186 P A -0.0552
187 A A 0.0144
188 G A -0.0442
189 Y A 0.3515
190 T A 0.0267
191 G A -0.2261
192 P A -0.2169
193 L A 0.3501
194 C A 0.0000
195 E A -0.9363
196 N A -1.3690
197 P A -0.4085
198 A A 0.2485
199 V A 1.2938
200 P A 0.2327
201 C A 0.1234
202 A A 0.0019
203 P A -0.2638
204 S A -0.1586
205 P A -0.0484
206 C A -0.3009
207 R A -1.9913
208 N A -1.2959
209 G A -0.6325
210 G A -0.1138
211 T A -0.0617
212 C A -0.2537
213 R A -2.0444
214 Q A -1.4676
215 S A -0.3934
216 G A -0.5412
217 D A -1.5448
218 L A 1.2173
219 T A 0.3012
220 Y A 0.0254
221 D A -1.6860
222 C A 0.0000
223 A A 0.0678
224 C A 0.3726
225 L A 0.7942
226 P A -0.1198
227 G A -0.2688
228 F A -0.2654
229 E A -1.8285
230 G A -0.8420
231 Q A -1.2945
232 N A -0.4467
233 C A 0.0000
234 E A -1.5633
235 V A 0.8438
236 N A -0.8346
237 V A 0.2465
238 D A -1.7809
239 D A -1.0914
240 C A -0.0971
241 P A -0.3246
242 G A -0.6001
243 H A -0.9003
244 R A -1.9315
245 C A 0.0000
246 L A 0.9355
247 N A -0.6786
248 G A -0.6086
249 G A 0.0000
250 T A -0.0534
251 C A 0.2481
252 V A 0.7750
253 D A -0.4348
254 G A 0.0886
255 V A 1.5150
256 N A -0.9710
257 T A -0.2637
258 Y A -0.1141
259 N A -1.2175
260 C A -0.3675
261 Q A -1.1437
262 C A -0.0191
263 P A -0.0627
264 P A -0.3749
265 E A -0.6261
266 W A -0.0084
267 T A -0.2336
268 G A -0.5037
269 Q A -1.1943
270 F A 0.0914
271 C A 0.0000
272 T A -0.3877
273 E A -1.8986
274 D A -0.6388
275 V A 0.0456
276 D A -0.5314
277 E A -0.2255
278 C A -0.1649
279 Q A -0.8977
280 L A 1.0875
281 Q A -0.9263
282 P A -0.6940
283 N A -1.3176
284 A A -0.2220
285 C A 0.0000
286 H A -1.0859
287 N A -1.0325
288 G A -0.6180
289 G A -0.1258
290 T A -0.0233
291 C A 0.1830
292 F A 0.2829
293 N A -0.5147
294 T A 0.1030
295 L A 1.5077
296 G A 0.0991
297 G A -0.1657
298 H A -0.4993
299 S A -0.2254
300 C A 0.3604
301 V A 1.6439
302 C A 0.4902
303 V A 0.1221
304 N A -0.4563
305 G A 0.0000
306 W A 0.1112
307 T A -0.0371
308 G A -0.5581
309 E A -1.8764
310 S A -0.4189
311 C A 0.0000
312 S A -0.4312
313 Q A -1.3139
314 N A -0.4526
315 I A 0.4919
316 D A -1.7272
317 D A -0.8695
318 C A 0.0360
319 A A 0.0688
320 T A -0.0586
321 A A 0.3357
322 V A 1.7952
323 C A 0.6758
324 F A 0.8842
325 H A -0.8845
326 G A -0.6446
327 A A -0.0608
328 T A -0.0364
329 C A 0.0788
330 H A -0.4689
331 D A -0.6743
332 R A -0.4017
333 V A 0.4839
334 A A 0.0586
335 S A 0.0000
336 F A 0.4786
337 Y A 0.7933
338 C A 0.0000
339 A A 0.0783
340 C A 0.2623
341 P A 0.1449
342 M A 1.0196
343 G A -0.0248
344 K A -0.8158
345 T A -0.1168
346 G A 0.1194
347 L A 1.1546
348 L A 0.6412
349 C A 0.0000
350 H A -0.3433
351 L A -0.1450
352 D A -1.8698
353 D A -0.7234
354 A A -0.0299
355 C A 0.4066
356 V A 1.6795
357 S A -0.1307
358 N A -1.3324
359 P A -0.3341
360 C A 0.0033
361 H A -0.6073
362 E A -2.1979
363 D A -2.1189
364 A A 0.0749
365 I A 2.0431
366 C A 0.2119
367 D A -1.7603
368 T A 0.0000
369 N A -0.2949
370 P A 0.1220
371 V A 1.5736
372 N A -0.6541
373 G A -0.5837
374 R A -1.8553
375 A A -0.0983
376 I A 1.2846
377 C A 0.3280
378 T A -0.0180
379 C A 0.1842
380 P A 0.0000
381 P A -0.2642
382 G A -0.0353
383 F A 0.1884
384 T A -0.0639
385 G A -0.4831
386 G A -0.5344
387 A A -0.0527
388 C A 0.0000
389 D A -2.0078
390 Q A -1.5801
391 D A -0.4428
392 V A 0.0061
393 D A -1.1058
394 E A -0.4631
395 C A 0.0973
396 S A 0.1869
397 I A 1.8875
398 G A -0.0827
399 A A -0.2447
400 N A -1.1781
401 P A -0.2424
402 C A 0.0000
403 E A -1.5607
404 H A -0.3234
405 L A 1.4886
406 G A 0.0000
407 R A -1.9671
408 C A 0.0000
409 V A 0.4748
410 N A -0.2553
411 T A -0.2838
412 Q A -1.2163
413 G A -0.3080
414 S A -0.0447
415 F A 0.7305
416 L A 1.5844
417 C A 0.1254
418 Q A -1.3302
419 C A -0.0465
420 G A -0.5865
421 R A -1.9120
422 G A -0.1508
423 Y A 0.0227
424 T A -0.0366
425 G A -0.2037
426 P A -0.5730
427 R A -1.6729
428 C A 0.0000
429 E A -1.3183
430 T A -0.4896
431 D A -1.0096
432 V A 0.1093
433 N A -0.9331
434 E A -0.7198
435 C A 0.2910
436 L A 1.5302
437 S A -0.0165
438 G A -0.5120
439 P A -0.1064
440 C A -0.1530
441 R A -1.9551
442 N A -1.2438
443 Q A -1.3212
444 A A -0.1957
445 T A -0.0236
446 C A 0.1843
447 L A 0.1065
448 D A -0.8987
449 R A -0.8610
450 I A 1.7379
451 G A -0.1195
452 Q A -1.0352
453 F A 0.0400
454 T A 0.0519
455 C A 0.2292
456 I A 0.8218
457 C A 0.4630
458 M A 0.6000
459 A A 0.1484
460 G A -0.2357
461 F A -0.0287
462 T A -0.0457
463 G A -0.2634
464 T A 0.0372
465 Y A 0.8338
466 C A 0.0000
467 E A -0.4111
468 V A 0.7164
469 D A -1.4146
470 I A 0.0826
471 D A -1.5419
472 E A -1.1893
473 C A -0.2864
474 Q A -1.2198
475 S A -0.4698
476 S A -0.2585
477 P A -0.0658
478 C A 0.2402
479 V A 0.8333
480 N A -0.7361
481 G A -0.6267
482 G A 0.2043
483 V A 1.7886
484 C A 0.1705
485 K A -1.7528
486 D A -0.9997
487 R A -1.5971
488 V A 1.2024
489 N A -0.9773
490 G A -0.2229
491 F A 0.5440
492 S A 0.0896
493 C A 0.0988
494 T A -0.0176
495 C A 0.1442
496 P A -0.1127
497 S A -0.2458
498 G A -0.3462
499 F A 0.0211
500 S A -0.1289
501 G A -0.5220
502 S A -0.2990
503 T A -0.0378
504 C A 0.0000
505 Q A -0.9404
506 L A 0.8463
507 D A -1.3638
508 V A 0.0408
509 D A -1.8203
510 E A -1.3763
511 C A -0.0889
512 A A 0.0366
513 S A -0.2148
514 T A -0.1161
515 P A -0.0540
516 C A 0.0000
517 R A -1.9086
518 N A -0.7734
519 G A -0.5285
520 A A -0.3608
521 K A -1.6850
522 C A -0.1263
523 V A 0.2872
524 D A -1.6379
525 Q A -1.5483
526 P A -0.7981
527 D A -1.8674
528 G A -0.4568
529 Y A 0.1174
530 E A -1.0702
531 C A -0.4652
532 R A -1.7833
533 C A -0.0951
534 A A -0.2597
535 E A -1.8255
536 G A -0.3344
537 F A -0.0735
538 E A -0.9890
539 G A -0.5322
540 T A -0.0053
541 L A 0.6956
542 C A 0.0000
543 D A -2.1188
544 R A -2.3615
545 N A -1.2498
546 V A 0.1933
547 D A -1.7844
548 D A -0.9880
549 C A -0.2168
550 S A -0.2585
551 P A -0.6306
552 D A -1.8250
553 P A -0.3466
554 C A 0.0000
555 H A -1.0779
556 H A -0.6924
557 G A -0.5313
558 R A -1.8531
559 C A 0.0419
560 V A 1.1452
561 D A -1.4929
562 G A -0.1950
563 I A 1.9777
564 A A 0.3558
565 S A -0.0676
566 F A 0.3219
567 S A -0.0838
568 C A 0.0826
569 A A 0.1241
570 C A 0.2868
571 A A 0.0350
572 P A -0.2646
573 G A -0.0805
574 Y A 0.0905
575 T A -0.0406
576 G A -0.2776
577 T A -0.3127
578 R A -1.1022
579 C A 0.0000
580 E A -1.7577
581 S A -0.6295
582 Q A -1.0004
583 V A 0.0859
584 D A -0.9773
585 E A -1.0335
586 C A 0.0000
587 R A -1.8834
588 S A -0.7662
589 Q A -1.2428
590 P A -0.2423
591 C A -0.3056
592 R A -1.9046
593 H A -0.8223
594 G A -0.5477
595 G A -0.4141
596 K A -1.6823
597 C A -0.0678
598 L A 0.1771
599 D A -1.5135
600 L A 0.6467
601 V A 1.5981
602 D A -1.7727
603 K A -1.8757
604 Y A -0.0197
605 L A 0.9091
606 C A -0.0740
607 R A -1.7781
608 C A -0.0793
609 P A -0.0832
610 S A -0.2457
611 G A -0.1992
612 T A 0.0000
613 T A -0.0867
614 G A 0.1080
615 V A 1.6848
616 N A 0.0598
617 C A 0.0000
618 E A -0.4117
619 V A 0.8694
620 N A -0.4195
621 I A 1.0452
622 D A -1.6611
623 D A -1.1368
624 C A -0.0534
625 A A 0.0364
626 S A -0.4275
627 N A -1.3199
628 P A -0.2611
629 C A 0.1524
630 T A 0.1492
631 F A 1.0794
632 G A 0.4487
633 V A 1.7742
634 C A 0.1160
635 R A -1.9464
636 D A -0.9606
637 G A -0.3048
638 I A 0.8119
639 N A -0.7229
640 R A -1.8432
641 Y A -0.1203
642 D A -1.6733
643 C A 0.0000
644 V A 0.5805
645 C A 0.1717
646 Q A -0.4459
647 P A -0.4964
648 G A -0.2370
649 F A 0.0692
650 T A 0.1739
651 G A -0.1968
652 P A -0.1274
653 L A 0.8174
654 C A 0.0000
655 N A -0.8116
656 V A 1.1330
657 E A -1.3061
658 I A 0.3094
659 N A -1.2619
660 E A -1.0486
661 C A -0.0364
662 A A 0.0386
663 S A -0.2407
664 S A -0.2618
665 P A -0.0824
666 C A 0.0523
667 G A -0.4060
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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 0.6251
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1918 V A 0.0000
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1927 A A 0.0183
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1930 A A 0.0000
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1932 V A -0.1713
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1934 A A 0.0000
1935 V A 0.4668
1936 D A 0.0000
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1938 L A 0.2195
1939 G A 0.0465
1940 K A -0.1789
1941 S A 0.0000
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1943 L A 0.0000
1944 H A 0.0000
1945 W A 0.2204
1946 A A 0.0000
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1949 V A 0.8130
1950 N A -0.3097
1951 N A 0.0000
1952 V A 0.1341
1953 E A -1.7344
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6361
1957 A A 0.1213
1958 L A 0.0000
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1960 K A -1.8874
1961 N A -1.5725
1962 G A -0.6821
1963 A A 0.0000
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1965 K A -0.7919
1966 D A -0.4543
1967 M A -0.0622
1968 Q A -0.7186
1969 D A 0.0000
1970 S A -0.3238
1971 K A -0.7437
1972 E A -0.6770
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 -0.7520
1982 E A -1.4672
1983 G A -0.4066
1984 S A 0.0000
1985 Y A 0.0997
1986 E A -1.4031
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.1158
1990 L A -0.1706
1991 L A 0.0000
1992 L A -0.0515
1993 D A -1.7771
1994 H A -0.3537
1995 F A 0.9965
1996 A A 0.0000
1997 N A -0.3229
1998 R A -0.6846
1999 E A -1.5845
2000 I A -0.0065
2001 T A -0.1130
2002 D A 0.0000
2003 H A 0.0104
2004 L A 0.4120
2005 D A -1.7307
2006 R A -0.6584
2007 L A 0.3145
2008 P A 0.0000
2009 R A -0.8234
2010 D A -1.2268
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.2900
2014 E A -2.3271
2015 R A -1.7384
2016 L A 1.0887
2017 H A -0.1506
2018 Q A -1.4104
2019 D A -1.1716
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2021 V A 0.0000
2022 R A -2.0174
2023 L A 0.0000
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2100 S A 0.0268
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2266 W A 0.7946
2267 S A -0.3178
2268 E A -1.9076
2269 S A -0.6328
2270 T A -0.1633
2271 P A -0.3098
2272 S A -0.3205
2273 P A -0.2930
2274 A A -0.0037
2275 T A -0.0446
2276 A A 0.0268
2277 T A -0.1864
2278 G A -0.4742
2279 A A 0.1870
2280 M A 1.0807
2281 A A 0.3171
2282 T A -0.0728
2283 T A -0.1028
2284 T A -0.1823
2285 G A -0.4669
2286 A A 0.2622
2287 L A 1.5050
2288 P A 0.0870
2289 A A -0.2762
2290 Q A -1.2338
2291 P A -0.1869
2292 L A 1.4500
2293 P A 0.3907
2294 L A 1.4469
2295 S A 0.4684
2296 V A 1.6784
2297 P A 0.0418
2298 S A -0.3121
2299 S A 0.1234
2300 L A 1.5071
2301 A A 0.0612
2302 Q A -1.1731
2303 A A -0.4409
2304 Q A -1.1980
2305 T A -0.5560
2306 Q A -0.8599
2307 L A 1.1812
2308 G A -0.2155
2309 P A -0.6037
2310 Q A -1.3050
2311 P A -0.8451
2312 E A -1.5218
2313 V A 1.4031
2314 T A 0.2922
2315 P A -0.4796
2316 K A -2.0739
2317 R A -2.3912
2318 Q A -1.2022
2319 V A 1.8331
2320 L A 1.8967
2321 A A 0.4279
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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 -0.0026 4.6695 View CSV PDB
4.5 -0.0348 4.6695 View CSV PDB
5.0 -0.0738 4.6695 View CSV PDB
5.5 -0.1142 4.6695 View CSV PDB
6.0 -0.1507 4.6695 View CSV PDB
6.5 -0.1801 4.6695 View CSV PDB
7.0 -0.2024 4.6695 View CSV PDB
7.5 -0.2198 4.6695 View CSV PDB
8.0 -0.234 4.6695 View CSV PDB
8.5 -0.2446 4.6695 View CSV PDB
9.0 -0.2504 4.6695 View CSV PDB