| Chain sequence(s) |
A: VINTFDGVADYLQTYHKLPDNYITKSEAQALGWVASKGNLADVAPGKSIGGDIFSNREGKLPGKSGRTWREADINYTSGFRNSDRILYSSDWLIYKTTDHYQTFTKIR
C: VINTFDGVADYLQTYHKLPDNYITKSEAQALGWVASKGNLADVAPGKSIGGDIFSNREGKLPGKSGRTWREADINYTSGFRNSDRILYSSDWLIYKTTDHYQTFTKIR B: AQVINTFDGVADYLQTYHKLPDNYITKSEAQALGWVASKGNLADVAPGKSIGGDIFSNREGKLPGKSGRTWREADINYTSGFRNSDRILYSSDWLIYKTTDHYQTFTKIR E: KAVINGEQIRSISDLHQTLKKELALPEYYGENLDALWDALTGWVEYPLVLEWRQFEQSKQLTGAESVLQVFREAKAEGADITIILS D: KKAVINGEQIRSISDLHQTLKKELALPEYYGENLDALWDALTGWVEYPLVLEWRQFEQSKQLTGAESVLQVFREAKAEGADITIILS F: KKAVINGEQIRSISDLHQTLKKELALPEYYGENLDALWDALTGWVEYPLVLEWRQFEQSKQLTENGAESVLQVFREAKAEGADITIILS input PDB |
| Selected Chain(s) | A,C,B,E,D,F |
| Distance of aggregation | 10 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] (00:00:13)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:13)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:13)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:13)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:03)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/45cc442122fbb4f/tmp/folded.pdb (00:08:03)
[INFO] Main: Simulation completed successfully. (00:12:19)
|
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 |
|---|---|---|---|---|
| 3 | V | A | 1.5241 | |
| 4 | I | A | 0.7838 | |
| 5 | N | A | 0.0552 | |
| 6 | T | A | -0.7134 | |
| 7 | F | A | -0.7666 | |
| 8 | D | A | -1.4418 | |
| 9 | G | A | -0.5833 | |
| 10 | V | A | 0.0000 | |
| 11 | A | A | 0.0000 | |
| 12 | D | A | -1.4596 | |
| 13 | Y | A | -0.6974 | |
| 14 | L | A | 0.0000 | |
| 15 | Q | A | -1.0475 | |
| 16 | T | A | -0.4211 | |
| 17 | Y | A | 0.0909 | |
| 18 | H | A | -1.3925 | |
| 19 | K | A | -1.8779 | |
| 20 | L | A | -1.0780 | |
| 21 | P | A | 0.0000 | |
| 22 | D | A | -1.7361 | |
| 23 | N | A | -0.7003 | |
| 24 | Y | A | 0.0000 | |
| 25 | I | A | -0.8245 | |
| 26 | T | A | -0.7170 | |
| 27 | K | A | -0.9380 | |
| 28 | S | A | -1.2142 | |
| 29 | E | A | -1.5275 | |
| 30 | A | A | 0.0000 | |
| 31 | Q | A | -1.1177 | |
| 32 | A | A | -0.4592 | |
| 33 | L | A | 0.3879 | |
| 34 | G | A | -0.2279 | |
| 35 | W | A | 0.0000 | |
| 36 | V | A | -0.1062 | |
| 37 | A | A | -0.4093 | |
| 38 | S | A | -0.8586 | |
| 39 | K | A | -1.5431 | |
| 40 | G | A | -0.5915 | |
| 41 | N | A | -1.0359 | |
| 42 | L | A | 0.0000 | |
| 43 | A | A | -1.1208 | |
| 44 | D | A | -1.8162 | |
| 45 | V | A | -0.5015 | |
| 46 | A | A | 0.0000 | |
| 47 | P | A | -1.1172 | |
| 48 | G | A | -0.8157 | |
| 49 | K | A | -0.9914 | |
| 50 | S | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | G | A | -0.3662 | |
| 54 | D | A | -0.1509 | |
| 55 | I | A | 0.4934 | |
| 56 | F | A | 0.0000 | |
| 57 | S | A | -0.4580 | |
| 58 | N | A | -1.1411 | |
| 59 | R | A | -1.1683 | |
| 60 | E | A | -1.6857 | |
| 61 | G | A | -1.6978 | |
| 62 | K | A | -1.8232 | |
| 63 | L | A | 0.0000 | |
| 64 | P | A | -1.0949 | |
| 65 | G | A | -1.7905 | |
| 66 | K | A | -2.3756 | |
| 67 | S | A | -1.4607 | |
| 68 | G | A | -1.3865 | |
| 69 | R | A | -1.4772 | |
| 70 | T | A | -0.8401 | |
| 71 | W | A | 0.0000 | |
| 72 | R | A | -0.5576 | |
| 73 | E | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | D | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | N | A | -1.2021 | |
| 78 | Y | A | 0.0000 | |
| 79 | T | A | -0.3627 | |
| 80 | S | A | -0.7046 | |
| 81 | G | A | -0.2981 | |
| 82 | F | A | 0.7228 | |
| 83 | R | A | 0.0000 | |
| 84 | N | A | -0.4955 | |
| 85 | S | A | -0.6961 | |
| 86 | D | A | -0.7176 | |
| 87 | R | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | Y | A | 0.0000 | |
| 91 | S | A | 0.0000 | |
| 92 | S | A | -0.8918 | |
| 93 | D | A | -1.2577 | |
| 94 | W | A | -0.5544 | |
| 95 | L | A | -0.0274 | |
| 96 | I | A | 0.0000 | |
| 97 | Y | A | 0.0000 | |
| 98 | K | A | -0.3907 | |
| 99 | T | A | 0.0000 | |
| 100 | T | A | -0.5450 | |
| 101 | D | A | -0.7461 | |
| 102 | H | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | Q | A | -1.2196 | |
| 105 | T | A | -0.6542 | |
| 106 | F | A | -0.3836 | |
| 107 | T | A | -0.3110 | |
| 108 | K | A | -0.5259 | |
| 109 | I | A | 0.0000 | |
| 110 | R | A | 0.0000 | |
| 1 | A | B | -0.2325 | |
| 2 | Q | B | -0.6171 | |
| 3 | V | B | 0.9850 | |
| 4 | I | B | 0.6677 | |
| 5 | N | B | -0.0443 | |
| 6 | T | B | -0.5272 | |
| 7 | F | B | -0.7359 | |
| 8 | D | B | -1.3662 | |
| 9 | G | B | -0.6060 | |
| 10 | V | B | 0.0000 | |
| 11 | A | B | 0.0000 | |
| 12 | D | B | -1.6869 | |
| 13 | Y | B | -0.8937 | |
| 14 | L | B | 0.0000 | |
| 15 | Q | B | -1.2344 | |
| 16 | T | B | -0.7033 | |
| 17 | Y | B | -0.3400 | |
| 18 | H | B | -1.7839 | |
| 19 | K | B | -2.0568 | |
| 20 | L | B | -1.1702 | |
| 21 | P | B | 0.0000 | |
| 22 | D | B | -1.8236 | |
| 23 | N | B | 0.0000 | |
| 24 | Y | B | 0.0000 | |
| 25 | I | B | -0.8878 | |
| 26 | T | B | -0.7738 | |
| 27 | K | B | -0.9738 | |
| 28 | S | B | -1.5479 | |
| 29 | E | B | -1.7125 | |
| 30 | A | B | 0.0000 | |
| 31 | Q | B | -1.2054 | |
| 32 | A | B | -0.4789 | |
| 33 | L | B | 0.3900 | |
| 34 | G | B | -0.2703 | |
| 35 | W | B | 0.0000 | |
| 36 | V | B | -0.3198 | |
| 37 | A | B | -0.5447 | |
| 38 | S | B | -1.0165 | |
| 39 | K | B | -1.6313 | |
| 40 | G | B | -0.5369 | |
| 41 | N | B | -1.0702 | |
| 42 | L | B | 0.0000 | |
| 43 | A | B | -1.0504 | |
| 44 | D | B | -1.7938 | |
| 45 | V | B | -0.4895 | |
| 46 | A | B | 0.0000 | |
| 47 | P | B | -0.9673 | |
| 48 | G | B | -0.8118 | |
| 49 | K | B | -0.8877 | |
| 50 | S | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | G | B | 0.0000 | |
| 53 | G | B | -0.2777 | |
| 54 | D | B | -0.0058 | |
| 55 | I | B | 0.7621 | |
| 56 | F | B | 0.0000 | |
| 57 | S | B | -0.3944 | |
| 58 | N | B | -1.1358 | |
| 59 | R | B | -1.2163 | |
| 60 | E | B | -1.7909 | |
| 61 | G | B | -1.7492 | |
| 62 | K | B | -1.9895 | |
| 63 | L | B | 0.0000 | |
| 64 | P | B | -1.1121 | |
| 65 | G | B | -1.8283 | |
| 66 | K | B | -2.2870 | |
| 67 | S | B | -1.4925 | |
| 68 | G | B | -1.4798 | |
| 69 | R | B | -1.7105 | |
| 70 | T | B | -0.9475 | |
| 71 | W | B | 0.0000 | |
| 72 | R | B | -0.4390 | |
| 73 | E | B | 0.0000 | |
| 74 | A | B | 0.0000 | |
| 75 | D | B | 0.0000 | |
| 76 | I | B | 0.0000 | |
| 77 | N | B | -1.3352 | |
| 78 | Y | B | 0.0000 | |
| 79 | T | B | -0.3379 | |
| 80 | S | B | -0.6179 | |
| 81 | G | B | -0.1490 | |
| 82 | F | B | 0.9713 | |
| 83 | R | B | 0.0000 | |
| 84 | N | B | -0.4797 | |
| 85 | S | B | -0.6890 | |
| 86 | D | B | -0.7135 | |
| 87 | R | B | 0.0000 | |
| 88 | I | B | 0.0000 | |
| 89 | L | B | 0.0000 | |
| 90 | Y | B | 0.0000 | |
| 91 | S | B | 0.0000 | |
| 92 | S | B | -1.3111 | |
| 93 | D | B | -1.8749 | |
| 94 | W | B | -1.0360 | |
| 95 | L | B | -0.2764 | |
| 96 | I | B | 0.0000 | |
| 97 | Y | B | 0.0274 | |
| 98 | K | B | -0.2501 | |
| 99 | T | B | 0.0000 | |
| 100 | T | B | -0.5498 | |
| 101 | D | B | -0.7701 | |
| 102 | H | B | 0.0000 | |
| 103 | Y | B | 0.0000 | |
| 104 | Q | B | -1.7059 | |
| 105 | T | B | -0.8307 | |
| 106 | F | B | -0.4320 | |
| 107 | T | B | -0.2638 | |
| 108 | K | B | -0.4719 | |
| 109 | I | B | 0.0000 | |
| 110 | R | B | -0.5986 | |
| 3 | V | C | 1.4965 | |
| 4 | I | C | 0.8164 | |
| 5 | N | C | 0.2034 | |
| 6 | T | C | -0.2656 | |
| 7 | F | C | -0.0228 | |
| 8 | D | C | -0.1221 | |
| 9 | G | C | -0.4021 | |
| 10 | V | C | 0.0000 | |
| 11 | A | C | -0.8952 | |
| 12 | D | C | -1.8252 | |
| 13 | Y | C | -1.0780 | |
| 14 | L | C | 0.0000 | |
| 15 | Q | C | -1.9054 | |
| 16 | T | C | -0.9689 | |
| 17 | Y | C | -0.1194 | |
| 18 | H | C | -1.5608 | |
| 19 | K | C | -1.7403 | |
| 20 | L | C | -1.1481 | |
| 21 | P | C | 0.0000 | |
| 22 | D | C | -1.7700 | |
| 23 | N | C | -0.7820 | |
| 24 | Y | C | -0.8682 | |
| 25 | I | C | 0.0000 | |
| 26 | T | C | -0.7944 | |
| 27 | K | C | -0.8997 | |
| 28 | S | C | -1.2478 | |
| 29 | E | C | -1.5634 | |
| 30 | A | C | 0.0000 | |
| 31 | Q | C | -1.1315 | |
| 32 | A | C | -0.3651 | |
| 33 | L | C | 0.7110 | |
| 34 | G | C | 0.0721 | |
| 35 | W | C | 0.0000 | |
| 36 | V | C | -0.2798 | |
| 37 | A | C | -0.6248 | |
| 38 | S | C | -1.0248 | |
| 39 | K | C | -1.6494 | |
| 40 | G | C | -0.7339 | |
| 41 | N | C | -0.8749 | |
| 42 | L | C | 0.0000 | |
| 43 | A | C | -1.1081 | |
| 44 | D | C | -1.8573 | |
| 45 | V | C | -0.3764 | |
| 46 | A | C | 0.0000 | |
| 47 | P | C | -1.1017 | |
| 48 | G | C | -0.7297 | |
| 49 | K | C | -1.0627 | |
| 50 | S | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | G | C | 0.0000 | |
| 53 | G | C | -0.2924 | |
| 54 | D | C | 0.0292 | |
| 55 | I | C | 0.9017 | |
| 56 | F | C | 0.0000 | |
| 57 | S | C | -0.4499 | |
| 58 | N | C | -1.2622 | |
| 59 | R | C | -1.4644 | |
| 60 | E | C | -2.2579 | |
| 61 | G | C | -1.8896 | |
| 62 | K | C | -1.7936 | |
| 63 | L | C | 0.0000 | |
| 64 | P | C | -1.0439 | |
| 65 | G | C | -1.7735 | |
| 66 | K | C | -2.2842 | |
| 67 | S | C | -1.4826 | |
| 68 | G | C | -1.4419 | |
| 69 | R | C | -1.6309 | |
| 70 | T | C | -0.9079 | |
| 71 | W | C | 0.0000 | |
| 72 | R | C | -0.5496 | |
| 73 | E | C | 0.0000 | |
| 74 | A | C | 0.0000 | |
| 75 | D | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
| 77 | N | C | -0.9801 | |
| 78 | Y | C | 0.0000 | |
| 79 | T | C | -0.3466 | |
| 80 | S | C | -0.7115 | |
| 81 | G | C | -0.3113 | |
| 82 | F | C | 0.6184 | |
| 83 | R | C | 0.0000 | |
| 84 | N | C | -0.5160 | |
| 85 | S | C | -0.7858 | |
| 86 | D | C | -0.7472 | |
| 87 | R | C | 0.0000 | |
| 88 | I | C | 0.0000 | |
| 89 | L | C | 0.0000 | |
| 90 | Y | C | 0.0000 | |
| 91 | S | C | 0.0000 | |
| 92 | S | C | -1.2216 | |
| 93 | D | C | -1.6784 | |
| 94 | W | C | -0.8219 | |
| 95 | L | C | -0.2475 | |
| 96 | I | C | 0.0000 | |
| 97 | Y | C | -0.0815 | |
| 98 | K | C | -0.4477 | |
| 99 | T | C | 0.0000 | |
| 100 | T | C | -0.6317 | |
| 101 | D | C | -0.8706 | |
| 102 | H | C | 0.0000 | |
| 103 | Y | C | 0.0000 | |
| 104 | Q | C | -1.5065 | |
| 105 | T | C | -0.7083 | |
| 106 | F | C | -0.5065 | |
| 107 | T | C | -0.4109 | |
| 108 | K | C | -0.8129 | |
| 109 | I | C | 0.7247 | |
| 1 | K | D | -2.4379 | |
| 2 | K | D | -2.3533 | |
| 3 | A | D | 0.0000 | |
| 4 | V | D | -0.2699 | |
| 5 | I | D | 0.0000 | |
| 6 | N | D | -1.7241 | |
| 7 | G | D | 0.0000 | |
| 8 | E | D | -3.4807 | |
| 9 | Q | D | -2.7528 | |
| 10 | I | D | 0.0000 | |
| 11 | R | D | -2.4434 | |
| 12 | S | D | -0.9160 | |
| 13 | I | D | 0.1871 | |
| 14 | S | D | -0.4670 | |
| 15 | D | D | -1.0098 | |
| 16 | L | D | 0.0000 | |
| 17 | H | D | 0.0000 | |
| 18 | Q | D | -1.6193 | |
| 19 | T | D | -1.3027 | |
| 20 | L | D | 0.0000 | |
| 21 | K | D | -2.0127 | |
| 22 | K | D | -2.4076 | |
| 23 | E | D | -1.7156 | |
| 24 | L | D | 0.0000 | |
| 25 | A | D | -1.3251 | |
| 26 | L | D | 0.0000 | |
| 27 | P | D | 0.0000 | |
| 28 | E | D | -1.9518 | |
| 29 | Y | D | -0.8954 | |
| 30 | Y | D | 0.0000 | |
| 31 | G | D | 0.0000 | |
| 32 | E | D | -0.9804 | |
| 33 | N | D | 0.0000 | |
| 34 | L | D | -0.5924 | |
| 35 | D | D | 0.0000 | |
| 36 | A | D | 0.0000 | |
| 37 | L | D | 0.0000 | |
| 38 | W | D | 0.0000 | |
| 39 | D | D | 0.0000 | |
| 40 | A | D | 0.0000 | |
| 41 | L | D | 0.0000 | |
| 42 | T | D | -0.6093 | |
| 43 | G | D | 0.0000 | |
| 44 | W | D | -0.0728 | |
| 45 | V | D | 0.0000 | |
| 46 | E | D | -2.1904 | |
| 47 | Y | D | -1.3449 | |
| 48 | P | D | -1.5252 | |
| 49 | L | D | 0.0000 | |
| 50 | V | D | -0.6079 | |
| 51 | L | D | 0.0000 | |
| 52 | E | D | 0.0959 | |
| 53 | W | D | 0.0000 | |
| 54 | R | D | -1.6824 | |
| 55 | Q | D | -2.5664 | |
| 56 | F | D | 0.0000 | |
| 57 | E | D | -3.3145 | |
| 58 | Q | D | -3.2231 | |
| 59 | S | D | 0.0000 | |
| 60 | K | D | -3.0334 | |
| 61 | Q | D | -2.4588 | |
| 62 | L | D | -1.5144 | |
| 63 | T | D | -1.1267 | |
| 66 | G | D | -1.2256 | |
| 67 | A | D | 0.0000 | |
| 68 | E | D | -2.6196 | |
| 69 | S | D | -1.7544 | |
| 70 | V | D | 0.0000 | |
| 71 | L | D | -1.5062 | |
| 72 | Q | D | -2.5813 | |
| 73 | V | D | 0.0000 | |
| 74 | F | D | 0.0000 | |
| 75 | R | D | -3.2411 | |
| 76 | E | D | -2.7738 | |
| 77 | A | D | 0.0000 | |
| 78 | K | D | -3.4499 | |
| 79 | A | D | -2.5729 | |
| 80 | E | D | -3.1065 | |
| 81 | G | D | -2.5103 | |
| 82 | A | D | -2.4895 | |
| 83 | D | D | -2.5127 | |
| 84 | I | D | 0.0000 | |
| 85 | T | D | -0.4803 | |
| 86 | I | D | 0.4666 | |
| 87 | I | D | 1.3982 | |
| 88 | L | D | 0.9770 | |
| 89 | S | D | -0.1996 | |
| 2 | K | E | -1.4680 | |
| 3 | A | E | 0.0000 | |
| 4 | V | E | -0.6049 | |
| 5 | I | E | 0.0000 | |
| 6 | N | E | -2.1452 | |
| 7 | G | E | 0.0000 | |
| 8 | E | E | -3.8030 | |
| 9 | Q | E | -2.9920 | |
| 10 | I | E | 0.0000 | |
| 11 | R | E | -2.3860 | |
| 12 | S | E | -1.0514 | |
| 13 | I | E | -0.1147 | |
| 14 | S | E | -0.9057 | |
| 15 | D | E | -1.6468 | |
| 16 | L | E | 0.0000 | |
| 17 | H | E | 0.0000 | |
| 18 | Q | E | -2.0121 | |
| 19 | T | E | -1.6857 | |
| 20 | L | E | 0.0000 | |
| 21 | K | E | -2.3323 | |
| 22 | K | E | -2.8190 | |
| 23 | E | E | -2.2933 | |
| 24 | L | E | 0.0000 | |
| 25 | A | E | -1.4233 | |
| 26 | L | E | 0.0000 | |
| 27 | P | E | 0.0000 | |
| 28 | E | E | -1.9415 | |
| 29 | Y | E | -0.9229 | |
| 30 | Y | E | 0.0000 | |
| 31 | G | E | 0.0000 | |
| 32 | E | E | -1.5457 | |
| 33 | N | E | 0.0000 | |
| 34 | L | E | -0.6842 | |
| 35 | D | E | 0.0000 | |
| 36 | A | E | 0.0000 | |
| 37 | L | E | 0.0000 | |
| 38 | W | E | 0.0605 | |
| 39 | D | E | 0.0000 | |
| 40 | A | E | 0.0000 | |
| 41 | L | E | 0.0000 | |
| 42 | T | E | -0.5950 | |
| 43 | G | E | 0.0000 | |
| 44 | W | E | -0.0906 | |
| 45 | V | E | 0.0000 | |
| 46 | E | E | -2.0211 | |
| 47 | Y | E | -0.9658 | |
| 48 | P | E | -1.1134 | |
| 49 | L | E | -0.7892 | |
| 50 | V | E | -0.0821 | |
| 51 | L | E | 0.0000 | |
| 52 | E | E | -0.1424 | |
| 53 | W | E | 0.0000 | |
| 54 | R | E | -2.2520 | |
| 55 | Q | E | -2.7988 | |
| 56 | F | E | 0.0000 | |
| 57 | E | E | -3.2806 | |
| 58 | Q | E | -3.2251 | |
| 59 | S | E | 0.0000 | |
| 60 | K | E | -2.6429 | |
| 61 | Q | E | -2.3456 | |
| 62 | L | E | -0.9364 | |
| 63 | T | E | -0.9906 | |
| 66 | G | E | -1.1453 | |
| 67 | A | E | 0.0000 | |
| 68 | E | E | -2.8802 | |
| 69 | S | E | -1.8346 | |
| 70 | V | E | 0.0000 | |
| 71 | L | E | 0.0000 | |
| 72 | Q | E | -2.5186 | |
| 73 | V | E | 0.0000 | |
| 74 | F | E | 0.0000 | |
| 75 | R | E | -2.9750 | |
| 76 | E | E | -2.4656 | |
| 77 | A | E | 0.0000 | |
| 78 | K | E | -3.2112 | |
| 79 | A | E | -2.4015 | |
| 80 | E | E | -3.0065 | |
| 81 | G | E | -2.4334 | |
| 82 | A | E | -2.4420 | |
| 83 | D | E | -2.5057 | |
| 84 | I | E | 0.0000 | |
| 85 | T | E | -0.3931 | |
| 86 | I | E | 0.4888 | |
| 87 | I | E | 1.0177 | |
| 88 | L | E | 0.7688 | |
| 89 | S | E | -0.3518 | |
| 1 | K | F | -2.6856 | |
| 2 | K | F | -2.3866 | |
| 3 | A | F | 0.0000 | |
| 4 | V | F | -0.3652 | |
| 5 | I | F | 0.0000 | |
| 6 | N | F | -1.5935 | |
| 7 | G | F | 0.0000 | |
| 8 | E | F | -3.0578 | |
| 9 | Q | F | -2.3924 | |
| 10 | I | F | 0.0000 | |
| 11 | R | F | -2.3827 | |
| 12 | S | F | -1.3103 | |
| 13 | I | F | -0.5492 | |
| 14 | S | F | -0.9500 | |
| 15 | D | F | -1.5346 | |
| 16 | L | F | 0.0000 | |
| 17 | H | F | 0.0000 | |
| 18 | Q | F | -2.1532 | |
| 19 | T | F | -1.5224 | |
| 20 | L | F | 0.0000 | |
| 21 | K | F | -2.1832 | |
| 22 | K | F | -2.4629 | |
| 23 | E | F | -1.7351 | |
| 24 | L | F | 0.0000 | |
| 25 | A | F | -1.1373 | |
| 26 | L | F | 0.0000 | |
| 27 | P | F | 0.0000 | |
| 28 | E | F | -1.9255 | |
| 29 | Y | F | -0.9280 | |
| 30 | Y | F | 0.0000 | |
| 31 | G | F | 0.0000 | |
| 32 | E | F | -1.5608 | |
| 33 | N | F | 0.0000 | |
| 34 | L | F | -0.8776 | |
| 35 | D | F | 0.0000 | |
| 36 | A | F | 0.0000 | |
| 37 | L | F | 0.0000 | |
| 38 | W | F | 0.0364 | |
| 39 | D | F | 0.0000 | |
| 40 | A | F | 0.0000 | |
| 41 | L | F | 0.0000 | |
| 42 | T | F | -0.5298 | |
| 43 | G | F | 0.0000 | |
| 44 | W | F | -0.1521 | |
| 45 | V | F | 0.0000 | |
| 46 | E | F | -2.0873 | |
| 47 | Y | F | -1.4547 | |
| 48 | P | F | -1.6300 | |
| 49 | L | F | 0.0000 | |
| 50 | V | F | -0.7471 | |
| 51 | L | F | 0.0000 | |
| 52 | E | F | 0.1649 | |
| 53 | W | F | 0.0000 | |
| 54 | R | F | -1.5327 | |
| 55 | Q | F | -2.4392 | |
| 56 | F | F | -1.9767 | |
| 57 | E | F | -3.1292 | |
| 58 | Q | F | -3.0120 | |
| 59 | S | F | 0.0000 | |
| 60 | K | F | -3.3561 | |
| 61 | Q | F | -2.9785 | |
| 62 | L | F | -2.0348 | |
| 63 | T | F | 0.0000 | |
| 64 | E | F | -2.8244 | |
| 65 | N | F | -3.0308 | |
| 66 | G | F | -1.7619 | |
| 67 | A | F | 0.0000 | |
| 68 | E | F | -2.6652 | |
| 69 | S | F | -1.8504 | |
| 70 | V | F | 0.0000 | |
| 71 | L | F | -1.3667 | |
| 72 | Q | F | -2.3922 | |
| 73 | V | F | 0.0000 | |
| 74 | F | F | 0.0000 | |
| 75 | R | F | -3.0253 | |
| 76 | E | F | -2.5041 | |
| 77 | A | F | 0.0000 | |
| 78 | K | F | -2.9561 | |
| 79 | A | F | -2.2895 | |
| 80 | E | F | -2.9103 | |
| 81 | G | F | -2.3674 | |
| 82 | A | F | -2.3368 | |
| 83 | D | F | -2.4265 | |
| 84 | I | F | 0.0000 | |
| 85 | T | F | -0.2713 | |
| 86 | I | F | 0.7849 | |
| 87 | I | F | 1.8941 | |
| 88 | L | F | 1.5696 |
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 | -0.6331 | 2.4845 | View | CSV | PDB |
| 4.5 | -0.6983 | 2.464 | View | CSV | PDB |
| 5.0 | -0.7802 | 2.4398 | View | CSV | PDB |
| 5.5 | -0.8645 | 2.4622 | View | CSV | PDB |
| 6.0 | -0.934 | 2.5068 | View | CSV | PDB |
| 6.5 | -0.9734 | 2.5727 | View | CSV | PDB |
| 7.0 | -0.9804 | 2.6507 | View | CSV | PDB |
| 7.5 | -0.9653 | 2.7335 | View | CSV | PDB |
| 8.0 | -0.9383 | 2.8179 | View | CSV | PDB |
| 8.5 | -0.9037 | 2.9023 | View | CSV | PDB |
| 9.0 | -0.8622 | 2.9854 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine