Project name: C144S_5

Status: done

Started: 2026-05-18 05:13:30
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLSSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:41)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:42)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:30:58)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/af368b584baa685/tmp/folded.pdb                (00:30:58)
[INFO]       Main:     Simulation completed successfully.                                          (01:10:11)
Show buried residues

Minimal score value
-2.6618
Maximal score value
2.6912
Average score
-0.2746
Total score value
-637.3877

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 0.9677
2 G A -0.3202
3 P A -0.4319
4 G A -0.5046
5 A A -0.4560
6 R A -1.9255
7 G A -1.1948
8 R A -2.3215
9 R A -2.6618
10 R A -2.6038
11 R A -2.6191
12 R A -2.6446
13 R A -2.2480
14 P A -0.4077
15 M A 0.9652
16 S A -0.0611
17 P A -0.3533
18 P A -0.3652
19 P A -0.3559
20 P A -0.3609
21 P A -0.3602
22 P A -0.3493
23 P A 0.0664
24 V A 1.3870
25 R A -1.5072
26 A A 0.0032
27 L A 1.5099
28 P A 0.3305
29 L A 1.7884
30 L A 2.1230
31 L A 2.1203
32 L A 2.1203
33 L A 1.8453
34 A A 0.2603
35 G A -0.5020
36 P A -0.4262
37 G A -0.5027
38 A A -0.0171
39 A A 0.0801
40 A A 0.0465
41 P A -0.1234
42 P A -0.0495
43 C A 0.3595
44 L A 1.2372
45 D A -1.5903
46 G A -0.7961
47 S A -0.1864
48 P A -0.2494
49 C A -0.0400
50 A A -0.1344
51 N A -0.9889
52 G A -0.6410
53 G A -0.4422
54 R A -1.7185
55 C A 0.3842
56 T A -0.1074
57 Q A -1.1089
58 L A 0.2274
59 P A -0.2044
60 S A -0.5847
61 R A -2.2179
62 E A -2.1592
63 A A -0.5132
64 A A 0.0132
65 C A 0.0000
66 L A 1.2782
67 C A 0.4303
68 P A -0.0760
69 P A -0.2822
70 G A -0.0818
71 W A 0.1732
72 V A 0.3067
73 G A -0.3595
74 E A -1.9523
75 R A -0.9836
76 C A 0.0000
77 Q A -0.6262
78 L A -0.2248
79 E A -1.7737
80 D A -0.5805
81 P A -0.0658
82 C A -0.0736
83 H A -1.0086
84 S A -0.4761
85 G A -0.5154
86 P A -0.1321
87 C A -0.0054
88 A A -0.0469
89 G A -0.7916
90 R A -1.9403
91 G A -0.0545
92 V A 1.7825
93 C A 0.2853
94 Q A -0.9530
95 S A -0.1936
96 S A -0.0912
97 V A 0.9213
98 V A 1.8387
99 A A 0.2866
100 G A -0.4651
101 T A -0.1358
102 A A 0.0000
103 R A -1.6170
104 F A 0.2389
105 S A -0.0834
106 C A -0.2864
107 R A -1.7865
108 C A -0.1347
109 P A -0.3374
110 R A -1.8514
111 G A 0.0000
112 F A 0.7041
113 R A -0.3054
114 G A -0.2689
115 P A -0.3924
116 D A -0.6585
117 C A 0.0000
118 S A -0.0359
119 L A 0.7562
120 P A -0.0315
121 D A -0.2734
122 P A -0.0800
123 C A 0.2902
124 L A 1.2061
125 S A -0.0265
126 S A -0.2603
127 P A -0.0718
128 C A 0.0883
129 A A -0.1172
130 H A -0.8896
131 G A -0.6108
132 A A 0.0000
133 R A -1.8196
134 C A -0.2567
135 S A -0.0551
136 V A 0.7093
137 G A 0.0416
138 P A -0.5869
139 D A -1.8562
140 G A -0.7563
141 R A -1.7364
142 F A 0.2995
143 L A 1.3818
144 S A 0.1787
145 S A -0.1766
146 C A 0.1919
147 P A -0.0724
148 P A -0.2779
149 G A -0.0880
150 Y A -0.1523
151 Q A -1.2558
152 G A -1.0320
153 R A -1.9400
154 S A -0.3721
155 C A 0.0000
156 R A -1.8837
157 S A -0.6809
158 D A -0.6338
159 V A 0.1059
160 D A -0.3925
161 E A -0.8124
162 C A -0.3539
163 R A -1.5004
164 V A 1.3950
165 G A -0.2344
166 E A -1.8724
167 P A -0.3873
168 C A 0.0000
169 R A -1.9951
170 H A -1.2489
171 G A -0.6263
172 G A -0.1261
173 T A -0.0588
174 C A 0.2416
175 L A 0.5706
176 N A -0.3562
177 T A -0.1036
178 P A -0.2718
179 G A -0.1680
180 S A -0.0873
181 F A -0.0159
182 R A -1.7481
183 C A -0.4567
184 Q A -1.1400
185 C A -0.0248
186 P A -0.0518
187 A A 0.0254
188 G A 0.0098
189 Y A 0.3551
190 T A 0.0176
191 G A -0.2274
192 P A -0.2128
193 L A 0.3687
194 C A 0.0000
195 E A -0.6983
196 N A -1.2823
197 P A -0.4002
198 A A 0.2781
199 V A 1.4370
200 P A 0.2626
201 C A 0.1366
202 A A -0.0036
203 P A -0.2614
204 S A -0.1480
205 P A -0.0660
206 C A 0.0000
207 R A -2.0000
208 N A -1.2728
209 G A -0.6271
210 G A -0.1147
211 T A -0.0607
212 C A -0.2471
213 R A -2.0177
214 Q A -1.3379
215 S A -0.3780
216 G A -0.5579
217 D A -1.6277
218 L A 0.7597
219 T A 0.2011
220 Y A -0.0524
221 D A -1.6577
222 C A 0.0000
223 A A 0.0683
224 C A 0.3713
225 L A 0.8022
226 P A -0.1186
227 G A -0.2927
228 F A -0.1673
229 E A -1.8162
230 G A -0.7658
231 Q A -1.2940
232 N A -0.5351
233 C A 0.0000
234 E A -1.3636
235 V A 0.8658
236 N A -0.0109
237 V A 0.2895
238 D A -1.7854
239 D A -0.9958
240 C A -0.0764
241 P A -0.3239
242 G A -0.5998
243 H A -0.8987
244 R A -1.9311
245 C A 0.0000
246 L A 1.1975
247 N A -0.6484
248 G A -0.6204
249 G A -0.1217
250 T A -0.0618
251 C A 0.3198
252 V A 1.1260
253 D A -0.5065
254 G A 0.1179
255 V A 1.5242
256 N A -0.9709
257 T A -0.2376
258 Y A -0.1113
259 N A -1.2142
260 C A -0.3652
261 Q A -1.1527
262 C A -0.0748
263 P A -0.0719
264 P A -0.4011
265 E A -0.7868
266 W A -0.0335
267 T A -0.0553
268 G A -0.4959
269 Q A -1.1986
270 F A 0.0580
271 C A 0.0000
272 T A -0.4042
273 E A -1.9032
274 D A -0.6682
275 V A -0.0597
276 D A -0.9166
277 E A -0.3297
278 C A -0.1589
279 Q A -0.8944
280 L A 1.0837
281 Q A -0.9190
282 P A -0.6932
283 N A -1.3179
284 A A -0.2219
285 C A 0.0000
286 H A -1.0391
287 N A -1.0307
288 G A -0.6177
289 G A -0.1195
290 T A -0.0043
291 C A 0.3852
292 F A 1.2641
293 N A -0.4243
294 T A 0.0673
295 L A 1.5056
296 G A 0.0238
297 G A -0.1939
298 H A -0.5555
299 S A -0.2576
300 C A 0.2825
301 V A 1.1788
302 C A 0.4878
303 V A 0.3630
304 N A -1.1694
305 G A 0.0000
306 W A 0.1214
307 T A -0.0413
308 G A -0.5722
309 E A -1.8717
310 S A -0.3765
311 C A 0.0000
312 S A -0.4323
313 Q A -1.3057
314 N A -0.3908
315 I A 0.5893
316 D A -1.6847
317 D A -0.7777
318 C A 0.0481
319 A A 0.0678
320 T A -0.0586
321 A A 0.3375
322 V A 1.7949
323 C A 0.6587
324 F A 0.8307
325 H A -0.8937
326 G A -0.6441
327 A A -0.0600
328 T A -0.0388
329 C A 0.0832
330 H A -0.4134
331 D A -0.7326
332 R A -1.7608
333 V A 0.3157
334 A A 0.1146
335 S A -0.1760
336 F A 0.2845
337 Y A 1.0986
338 C A 0.0000
339 A A 0.0747
340 C A 0.2608
341 P A 0.1539
342 M A 1.0241
343 G A -0.0139
344 K A -0.8157
345 T A -0.1201
346 G A 0.1441
347 L A 1.3280
348 L A 0.5960
349 C A 0.0000
350 H A -0.4428
351 L A -0.1729
352 D A -1.8783
353 D A -0.7616
354 A A -0.0359
355 C A 0.4318
356 V A 1.7541
357 S A -0.1172
358 N A -1.3334
359 P A -0.3537
360 C A 0.0000
361 H A -0.5808
362 E A -2.1884
363 D A -2.1166
364 A A 0.0767
365 I A 2.0372
366 C A 0.2207
367 D A -1.7595
368 T A 0.0000
369 N A 0.0000
370 P A 0.0964
371 V A 1.2390
372 N A -0.6206
373 G A -0.5712
374 R A -1.8559
375 A A -0.2695
376 I A 0.3386
377 C A 0.1578
378 T A 0.1867
379 C A 0.1830
380 P A -0.0348
381 P A -0.2688
382 G A -0.0286
383 F A 0.2150
384 T A -0.0590
385 G A -0.4765
386 G A -0.5319
387 A A -0.0586
388 C A 0.0000
389 D A -2.0072
390 Q A -1.5825
391 D A -0.4510
392 V A 0.0300
393 D A -1.1690
394 E A -0.5039
395 C A 0.0835
396 S A 0.1836
397 I A 1.8882
398 G A -0.0848
399 A A -0.2515
400 N A -1.2226
401 P A -0.2526
402 C A 0.0000
403 E A -1.7546
404 H A -0.3711
405 L A 1.4848
406 G A 0.0000
407 R A -1.9681
408 C A 0.0000
409 V A 0.5529
410 N A -0.2105
411 T A -0.2585
412 Q A -1.2154
413 G A -0.3202
414 S A -0.0507
415 F A 0.7270
416 L A 1.2859
417 C A 0.0658
418 Q A -1.3320
419 C A -0.0435
420 G A -0.5910
421 R A -1.9073
422 G A -0.2608
423 Y A 0.0603
424 T A -0.0368
425 G A -0.2101
426 P A -0.5726
427 R A -1.6644
428 C A 0.0000
429 E A -1.3744
430 T A -0.4585
431 D A -0.7764
432 V A 0.2537
433 N A -0.8522
434 E A -0.9447
435 C A 0.2559
436 L A 1.5319
437 S A -0.0147
438 G A -0.5116
439 P A -0.1054
440 C A -0.1504
441 R A -1.9410
442 N A -1.1701
443 Q A -1.3076
444 A A -0.1998
445 T A -0.0406
446 C A 0.2151
447 L A 0.2577
448 D A -0.5698
449 R A -0.1873
450 I A 0.7460
451 G A 0.0000
452 Q A -1.1160
453 F A 0.0403
454 T A 0.0385
455 C A 0.4339
456 I A 1.9546
457 C A 0.6684
458 M A 0.5728
459 A A 0.1541
460 G A 0.0000
461 F A 0.0000
462 T A -0.0835
463 G A -0.2548
464 T A 0.0385
465 Y A 0.8384
466 C A 0.0000
467 E A -0.4217
468 V A 0.7186
469 D A -1.4029
470 I A 0.2980
471 D A -1.4971
472 E A -0.6700
473 C A -0.1943
474 Q A -1.2204
475 S A -0.4687
476 S A -0.2589
477 P A -0.0705
478 C A 0.1810
479 V A 0.5194
480 N A -0.8138
481 G A -0.6305
482 G A 0.2035
483 V A 1.7873
484 C A 0.2200
485 K A -1.7108
486 D A -2.2822
487 R A -1.8425
488 V A 1.2023
489 N A -0.9694
490 G A -0.1947
491 F A 0.5598
492 S A 0.1279
493 C A 0.1064
494 T A 0.0059
495 C A 0.1441
496 P A -0.1064
497 S A -0.2408
498 G A -0.2903
499 F A -0.0227
500 S A 0.0224
501 G A -0.5212
502 S A -0.2994
503 T A -0.0426
504 C A 0.0000
505 Q A -0.9186
506 L A 0.9908
507 D A -1.3527
508 V A 0.0099
509 D A -1.8358
510 E A -1.2368
511 C A -0.0570
512 A A 0.0384
513 S A -0.2150
514 T A -0.1149
515 P A -0.0467
516 C A 0.0000
517 R A -1.3812
518 N A -1.3453
519 G A -0.6520
520 A A -0.3545
521 K A -1.6848
522 C A -0.1372
523 V A 0.1737
524 D A -1.7935
525 Q A -1.1885
526 P A -0.7332
527 D A -1.8632
528 G A -0.3428
529 Y A -0.0900
530 E A -1.2064
531 C A -0.4961
532 R A -1.7825
533 C A -0.0838
534 A A -0.2595
535 E A -1.8258
536 G A -0.1286
537 F A -0.0988
538 E A -1.5597
539 G A -0.5525
540 T A -0.0446
541 L A 0.3887
542 C A 0.0000
543 D A -2.1218
544 R A -2.2867
545 N A -0.8424
546 V A 0.1854
547 D A -1.5854
548 D A -0.7764
549 C A -0.2628
550 S A -0.4512
551 P A -0.6316
552 D A -1.8568
553 P A -0.3767
554 C A 0.0000
555 H A -1.0733
556 H A -0.6615
557 G A -0.4910
558 R A -1.8597
559 C A 0.0000
560 V A 1.6096
561 D A -0.5199
562 G A 0.0315
563 I A 1.9853
564 A A 0.3423
565 S A -0.0914
566 F A 0.4774
567 S A -0.0724
568 C A 0.0704
569 A A -0.0647
570 C A 0.2572
571 A A 0.0149
572 P A -0.2606
573 G A -0.3307
574 Y A 0.0252
575 T A -0.0680
576 G A -0.3386
577 T A -0.2909
578 R A -0.9206
579 C A 0.0000
580 E A -1.4288
581 S A -0.6174
582 Q A -1.1324
583 V A -0.0153
584 D A -0.9378
585 E A -1.0218
586 C A 0.0000
587 R A -1.8829
588 S A -0.7628
589 Q A -1.2446
590 P A -0.2485
591 C A -0.3077
592 R A -1.9163
593 H A -0.8893
594 G A -0.5594
595 G A -0.4095
596 K A -1.7108
597 C A 0.0000
598 L A 0.0188
599 D A -1.5125
600 L A 0.7730
601 V A 1.4204
602 D A -1.8209
603 K A -1.8612
604 Y A -0.0096
605 L A 1.1723
606 C A -0.0578
607 R A -1.7847
608 C A -0.0949
609 P A -0.0878
610 S A -0.2438
611 G A -0.2872
612 T A 0.0000
613 T A -0.0903
614 G A 0.0790
615 V A 1.6832
616 N A 0.0730
617 C A 0.0000
618 E A -0.3562
619 V A 0.9741
620 N A -0.4704
621 I A 0.6035
622 D A -1.7258
623 D A -1.0732
624 C A 0.0000
625 A A 0.0210
626 S A -0.4295
627 N A -1.3205
628 P A -0.2673
629 C A 0.1431
630 T A 0.2049
631 F A 1.3431
632 G A 0.4004
633 V A 1.7800
634 C A 0.1310
635 R A -1.9294
636 D A -0.8946
637 G A -0.2193
638 I A 1.0254
639 N A -1.3826
640 R A -2.0144
641 Y A -0.3245
642 D A -1.6912
643 C A -0.0776
644 V A 0.7653
645 C A 0.0802
646 Q A -1.1162
647 P A -0.4585
648 G A 0.0000
649 F A -0.0466
650 T A -0.0240
651 G A -0.2037
652 P A -0.1393
653 L A 0.7484
654 C A 0.0000
655 N A -0.9558
656 V A 1.2103
657 E A -1.2799
658 I A 0.4232
659 N A -1.1377
660 E A -0.4834
661 C A 0.1224
662 A A 0.0488
663 S A -0.2414
664 S A -0.2602
665 P A -0.0685
666 C A 0.0450
667 G A -0.4724
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1946 A A 0.0000
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1950 N A -0.3120
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1952 V A 0.1057
1953 E A -1.7361
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5557
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1962 G A -0.6980
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1967 M A 0.0000
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1969 D A 0.0000
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1971 K A -1.0374
1972 E A -1.5571
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 -0.8568
1982 E A -1.9422
1983 G A -0.4751
1984 S A 0.0000
1985 Y A 0.1645
1986 E A -1.1928
1987 A A 0.0000
1988 A A 0.0000
1989 K A -1.0722
1990 L A 0.0021
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8306
1994 H A -0.3938
1995 F A 0.8383
1996 A A 0.0000
1997 N A -0.2212
1998 R A -0.3695
1999 E A -0.3192
2000 I A 0.1566
2001 T A -0.1665
2002 D A 0.0000
2003 H A -0.6157
2004 L A 1.0686
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2006 R A -0.6412
2007 L A 0.2790
2008 P A 0.0000
2009 R A -1.1160
2010 D A -1.0542
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.1020
2014 E A -2.2920
2015 R A -1.7373
2016 L A 1.1089
2017 H A -0.1493
2018 Q A -1.3641
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2264 S A -0.3436
2265 D A -1.6156
2266 W A 0.7740
2267 S A -0.3410
2268 E A -1.8987
2269 S A -0.5628
2270 T A -0.1556
2271 P A -0.3067
2272 S A -0.3054
2273 P A -0.2825
2274 A A -0.0013
2275 T A -0.0496
2276 A A 0.0326
2277 T A -0.1502
2278 G A -0.4684
2279 A A 0.1722
2280 M A 1.0761
2281 A A 0.2485
2282 T A -0.0738
2283 T A -0.0987
2284 T A -0.1714
2285 G A -0.4687
2286 A A 0.2744
2287 L A 1.5132
2288 P A 0.0348
2289 A A -0.2120
2290 Q A -1.2336
2291 P A -0.1874
2292 L A 1.4547
2293 P A 0.3105
2294 L A 1.4605
2295 S A 0.4124
2296 V A 1.6860
2297 P A 0.0290
2298 S A -0.3048
2299 S A 0.0371
2300 L A 1.5187
2301 A A 0.1115
2302 Q A -1.1749
2303 A A -0.4617
2304 Q A -1.1979
2305 T A -0.5203
2306 Q A -0.9197
2307 L A 1.2352
2308 G A -0.2290
2309 P A -0.5723
2310 Q A -1.2943
2311 P A -0.8380
2312 E A -1.5130
2313 V A 1.3936
2314 T A 0.2037
2315 P A -0.5774
2316 K A -2.1569
2317 R A -2.4467
2318 Q A -1.1385
2319 V A 1.8084
2320 L A 1.9131
2321 A A 0.3578
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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 0.0046 4.6692 View CSV PDB
4.5 -0.0277 4.6692 View CSV PDB
5.0 -0.0666 4.6692 View CSV PDB
5.5 -0.1066 4.6692 View CSV PDB
6.0 -0.1424 4.6692 View CSV PDB
6.5 -0.1709 4.6692 View CSV PDB
7.0 -0.1923 4.6692 View CSV PDB
7.5 -0.2091 4.6692 View CSV PDB
8.0 -0.2229 4.6692 View CSV PDB
8.5 -0.2332 4.6692 View CSV PDB
9.0 -0.2386 4.6692 View CSV PDB