| Chain sequence(s) |
A: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
C: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR B: VHFTEEDKATITSLWGKVNVEDAGGETLGRLLVVYPWTQRFFDSFGNLSSASAIMGNPKVKAHGKKVLTSLGDAIKHLDDLKGTFAQLSELHCDKLHVDPENFKLLGNVLVTVLAIHFGKEFTPEVQASWQKMVTGVASALSSRYH E: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR D: HFTEEDKATITSLWGKVNVEDAGGETLGRLLVVYPWTQRFFDSFGNLSSASAIMGNPKVKAHGKKVLTSLGDAIKHLDDLKGTFAQLSELHCDKLHVDPENFKLLGNVLVTVLAIHFGKEFTPEVQASWQKMVTGVASALSSRYH G: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR F: VHFTEEDKATITSLWGKVNVEDAGGETLGRLLVVYPWTQRFFDSFGNLSSASAIMGNPKVKAHGKKVLTSLGDAIKHLDDLKGTFAQLSELHCDKLHVDPENFKLLGNVLVTVLAIHFGKEFTPEVQASWQKMVTGVASALSSRYH H: VHFTEEDKATITSLWGKVNVEDAGGETLGRLLVVYPWTQRFFDSFGNLSSASAIMGNPKVKAHGKKVLTSLGDAIKHLDDLKGTFAQLSELHCDKLHVDPENFKLLGNVLVTVLAIHFGKEFTPEVQASWQKMVTGVASALSSRYH input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,H |
| 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] (00:00:01)
[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 all 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:56)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/50f799d3c17073d/tmp/folded.pdb (00:21:56)
[INFO] Main: Simulation completed successfully. (00:27:56)
|
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 | V | A | 0.3205 | |
| 2 | L | A | 0.1068 | |
| 3 | S | A | -0.0461 | |
| 4 | P | A | -0.3150 | |
| 5 | A | A | -0.4722 | |
| 6 | D | A | -0.6094 | |
| 7 | K | A | -0.9358 | |
| 8 | T | A | -0.8241 | |
| 9 | N | A | -0.9294 | |
| 10 | V | A | 0.0000 | |
| 11 | K | A | -1.7184 | |
| 12 | A | A | -1.2268 | |
| 13 | A | A | 0.0000 | |
| 14 | W | A | 0.0000 | |
| 15 | G | A | -1.4449 | |
| 16 | K | A | -1.6726 | |
| 17 | V | A | 0.0000 | |
| 18 | G | A | -1.3102 | |
| 19 | A | A | -0.9902 | |
| 20 | H | A | -1.8221 | |
| 21 | A | A | 0.0000 | |
| 22 | G | A | -2.6871 | |
| 23 | E | A | -2.8988 | |
| 24 | Y | A | 0.0000 | |
| 25 | G | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | E | A | -1.2849 | |
| 28 | A | A | 0.0000 | |
| 29 | L | A | 0.0000 | |
| 30 | E | A | -0.7234 | |
| 31 | R | A | 0.0000 | |
| 32 | M | A | 0.0000 | |
| 33 | F | A | 0.0000 | |
| 34 | L | A | 0.3429 | |
| 35 | S | A | 0.1770 | |
| 36 | F | A | 0.2989 | |
| 37 | P | A | 0.0057 | |
| 38 | T | A | 0.0000 | |
| 39 | T | A | 0.0000 | |
| 40 | K | A | -0.5688 | |
| 41 | T | A | -0.3320 | |
| 42 | Y | A | -0.0082 | |
| 43 | F | A | -0.2091 | |
| 44 | P | A | -0.7215 | |
| 45 | H | A | -1.1302 | |
| 46 | F | A | -0.8377 | |
| 47 | D | A | -1.5742 | |
| 48 | L | A | -1.0298 | |
| 49 | S | A | -1.0195 | |
| 50 | H | A | -1.4524 | |
| 51 | G | A | -1.3365 | |
| 52 | S | A | 0.0000 | |
| 53 | A | A | -1.3249 | |
| 54 | Q | A | -1.5567 | |
| 55 | V | A | 0.0000 | |
| 56 | K | A | -3.1784 | |
| 57 | G | A | -2.3341 | |
| 58 | H | A | -2.1963 | |
| 59 | G | A | 0.0000 | |
| 60 | K | A | -3.1939 | |
| 61 | K | A | -2.7483 | |
| 62 | V | A | -1.2337 | |
| 63 | A | A | 0.0000 | |
| 64 | D | A | -1.9543 | |
| 65 | A | A | -1.2654 | |
| 66 | L | A | 0.0000 | |
| 67 | T | A | -1.4136 | |
| 68 | N | A | -1.6314 | |
| 69 | A | A | 0.0000 | |
| 70 | V | A | 0.0000 | |
| 71 | A | A | -1.3660 | |
| 72 | H | A | -2.1476 | |
| 73 | V | A | 0.0000 | |
| 74 | D | A | -2.5523 | |
| 75 | D | A | -2.7492 | |
| 76 | M | A | 0.0000 | |
| 77 | P | A | -1.7075 | |
| 78 | N | A | -2.0642 | |
| 79 | A | A | -1.5459 | |
| 80 | L | A | 0.0000 | |
| 81 | S | A | -0.6896 | |
| 82 | A | A | -0.2102 | |
| 83 | L | A | 0.1518 | |
| 84 | S | A | 0.0000 | |
| 85 | D | A | -1.5134 | |
| 86 | L | A | -0.7851 | |
| 87 | H | A | -0.8268 | |
| 88 | A | A | 0.0000 | |
| 89 | H | A | -2.1274 | |
| 90 | K | A | -2.2008 | |
| 91 | L | A | -0.8615 | |
| 92 | R | A | -1.1775 | |
| 93 | V | A | -0.2374 | |
| 94 | D | A | 0.0000 | |
| 95 | P | A | -0.1526 | |
| 96 | V | A | -0.1230 | |
| 97 | N | A | 0.0000 | |
| 98 | F | A | -0.1627 | |
| 99 | K | A | -0.9658 | |
| 100 | L | A | -0.1704 | |
| 101 | L | A | 0.0521 | |
| 102 | S | A | -0.3243 | |
| 103 | H | A | 0.0000 | |
| 104 | C | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | T | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | H | A | -0.9519 | |
| 113 | L | A | -0.4137 | |
| 114 | P | A | -0.3340 | |
| 115 | A | A | -0.3682 | |
| 116 | E | A | -0.9252 | |
| 117 | F | A | 0.0000 | |
| 118 | T | A | -0.2028 | |
| 119 | P | A | -0.0658 | |
| 120 | A | A | -0.0763 | |
| 121 | V | A | -0.1827 | |
| 122 | H | A | 0.0000 | |
| 123 | A | A | -0.1087 | |
| 124 | S | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | D | A | -0.5190 | |
| 127 | K | A | -0.3063 | |
| 128 | F | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | A | A | -0.2742 | |
| 131 | S | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | S | A | -0.1641 | |
| 134 | T | A | -0.4545 | |
| 135 | V | A | 0.0000 | |
| 136 | L | A | -0.0580 | |
| 137 | T | A | -0.3767 | |
| 138 | S | A | -0.7271 | |
| 139 | K | A | -1.0139 | |
| 140 | Y | A | 0.0000 | |
| 141 | R | A | -0.3218 | |
| 1 | V | B | 0.5235 | |
| 2 | H | B | -0.2998 | |
| 3 | F | B | 0.0000 | |
| 4 | T | B | -1.6926 | |
| 5 | E | B | -2.9662 | |
| 6 | E | B | -2.9040 | |
| 7 | D | B | -2.1792 | |
| 8 | K | B | -2.2854 | |
| 9 | A | B | -1.4515 | |
| 10 | T | B | -1.1622 | |
| 11 | I | B | 0.0000 | |
| 12 | T | B | -1.0653 | |
| 13 | S | B | -0.7743 | |
| 14 | L | B | 0.0000 | |
| 15 | W | B | -0.7224 | |
| 16 | G | B | -1.3173 | |
| 17 | K | B | -1.9679 | |
| 18 | V | B | -1.5908 | |
| 19 | N | B | -2.2919 | |
| 20 | V | B | -1.9549 | |
| 21 | E | B | -3.4351 | |
| 22 | D | B | -3.2245 | |
| 23 | A | B | 0.0000 | |
| 24 | G | B | 0.0000 | |
| 25 | G | B | 0.0000 | |
| 26 | E | B | -1.3304 | |
| 27 | T | B | 0.0000 | |
| 28 | L | B | 0.0000 | |
| 29 | G | B | 0.0000 | |
| 30 | R | B | 0.0000 | |
| 31 | L | B | 0.0000 | |
| 32 | L | B | 0.0000 | |
| 33 | V | B | 0.2370 | |
| 34 | V | B | 0.0000 | |
| 35 | Y | B | 0.1391 | |
| 36 | P | B | -0.0577 | |
| 37 | W | B | 0.1550 | |
| 38 | T | B | 0.0000 | |
| 39 | Q | B | 0.0000 | |
| 40 | R | B | -0.4181 | |
| 41 | F | B | 0.0885 | |
| 42 | F | B | -0.8169 | |
| 43 | D | B | -1.9165 | |
| 44 | S | B | -1.3516 | |
| 45 | F | B | -1.2942 | |
| 46 | G | B | -1.6911 | |
| 47 | N | B | -1.9701 | |
| 48 | L | B | -0.9559 | |
| 49 | S | B | -0.6376 | |
| 50 | S | B | -0.4192 | |
| 51 | A | B | -0.1170 | |
| 52 | S | B | -0.4239 | |
| 53 | A | B | -0.6434 | |
| 54 | I | B | 0.0000 | |
| 55 | M | B | -0.5391 | |
| 56 | G | B | -1.0672 | |
| 57 | N | B | 0.0000 | |
| 58 | P | B | -1.6675 | |
| 59 | K | B | -2.3331 | |
| 60 | V | B | 0.0000 | |
| 61 | K | B | -2.9597 | |
| 62 | A | B | -2.3598 | |
| 63 | H | B | -1.9629 | |
| 64 | G | B | 0.0000 | |
| 65 | K | B | -2.9563 | |
| 66 | K | B | -2.2123 | |
| 67 | V | B | -0.8401 | |
| 68 | L | B | 0.0000 | |
| 69 | T | B | -1.4026 | |
| 70 | S | B | -1.0678 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | D | B | -2.5230 | |
| 74 | A | B | 0.0000 | |
| 75 | I | B | 0.0000 | |
| 76 | K | B | -3.1769 | |
| 77 | H | B | -3.1819 | |
| 78 | L | B | 0.0000 | |
| 79 | D | B | -2.3536 | |
| 80 | D | B | -3.0541 | |
| 81 | L | B | 0.0000 | |
| 82 | K | B | -2.0424 | |
| 83 | G | B | -1.8851 | |
| 84 | T | B | -1.9401 | |
| 85 | F | B | 0.0000 | |
| 86 | A | B | -1.1911 | |
| 87 | Q | B | -1.4897 | |
| 88 | L | B | -0.9113 | |
| 89 | S | B | 0.0000 | |
| 90 | E | B | -2.0148 | |
| 91 | L | B | -1.1943 | |
| 92 | H | B | -1.0880 | |
| 93 | C | B | 0.0000 | |
| 94 | D | B | -2.6879 | |
| 95 | K | B | -2.2530 | |
| 96 | L | B | -0.6127 | |
| 97 | H | B | -0.8786 | |
| 98 | V | B | -0.2730 | |
| 99 | D | B | 0.0000 | |
| 100 | P | B | -0.6372 | |
| 101 | E | B | -0.7871 | |
| 102 | N | B | 0.0000 | |
| 103 | F | B | 0.0000 | |
| 104 | K | B | -0.7971 | |
| 105 | L | B | -0.2609 | |
| 106 | L | B | -0.0413 | |
| 107 | G | B | -0.2297 | |
| 108 | N | B | -0.2751 | |
| 109 | V | B | 0.0000 | |
| 110 | L | B | 0.0000 | |
| 111 | V | B | 0.0000 | |
| 112 | T | B | 0.0000 | |
| 113 | V | B | 0.0000 | |
| 114 | L | B | 0.0000 | |
| 115 | A | B | 0.0000 | |
| 116 | I | B | -0.2723 | |
| 117 | H | B | -0.9643 | |
| 118 | F | B | -1.2740 | |
| 119 | G | B | -1.5252 | |
| 120 | K | B | -2.6761 | |
| 121 | E | B | -2.6022 | |
| 122 | F | B | 0.0000 | |
| 123 | T | B | -1.5951 | |
| 124 | P | B | -1.2442 | |
| 125 | E | B | -1.5454 | |
| 126 | V | B | -1.0623 | |
| 127 | Q | B | 0.0000 | |
| 128 | A | B | -0.3592 | |
| 129 | S | B | 0.0000 | |
| 130 | W | B | 0.0000 | |
| 131 | Q | B | 0.0000 | |
| 132 | K | B | -0.4945 | |
| 133 | M | B | 0.0000 | |
| 134 | V | B | 0.0000 | |
| 135 | T | B | -0.3743 | |
| 136 | G | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | A | B | 0.0000 | |
| 139 | S | B | -0.5860 | |
| 140 | A | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | S | B | -0.6733 | |
| 143 | S | B | -0.8229 | |
| 144 | R | B | -1.5771 | |
| 145 | Y | B | -0.8365 | |
| 146 | H | B | -0.3979 | |
| 1 | V | G | 0.8567 | |
| 2 | L | G | 0.0000 | |
| 3 | S | G | -0.0368 | |
| 4 | P | G | -0.3683 | |
| 5 | A | G | -0.5341 | |
| 6 | D | G | -0.6040 | |
| 7 | K | G | -1.2719 | |
| 8 | T | G | -0.8350 | |
| 9 | N | G | -0.8528 | |
| 10 | V | G | 0.0000 | |
| 11 | K | G | -1.5811 | |
| 12 | A | G | -1.2401 | |
| 13 | A | G | 0.0000 | |
| 14 | W | G | -1.1162 | |
| 15 | G | G | -1.6191 | |
| 16 | K | G | -2.2203 | |
| 17 | V | G | 0.0000 | |
| 18 | G | G | -1.2670 | |
| 19 | A | G | -0.9785 | |
| 20 | H | G | -1.7241 | |
| 21 | A | G | -1.9090 | |
| 22 | G | G | -2.7963 | |
| 23 | E | G | -2.8179 | |
| 24 | Y | G | 0.0000 | |
| 25 | G | G | 0.0000 | |
| 26 | A | G | 0.0000 | |
| 27 | E | G | -1.3558 | |
| 28 | A | G | 0.0000 | |
| 29 | L | G | 0.0000 | |
| 30 | E | G | -1.1258 | |
| 31 | R | G | 0.0000 | |
| 32 | M | G | 0.0000 | |
| 33 | F | G | 0.0000 | |
| 34 | L | G | -0.1211 | |
| 35 | S | G | -0.0295 | |
| 36 | F | G | 0.3067 | |
| 37 | P | G | -0.1313 | |
| 38 | T | G | 0.0000 | |
| 39 | T | G | 0.0000 | |
| 40 | K | G | -0.5277 | |
| 41 | T | G | -0.1750 | |
| 42 | Y | G | 0.0898 | |
| 43 | F | G | -0.2432 | |
| 44 | P | G | -0.8209 | |
| 45 | H | G | -1.2416 | |
| 46 | F | G | -1.1445 | |
| 47 | D | G | -2.0052 | |
| 48 | L | G | -1.3420 | |
| 49 | S | G | -1.2245 | |
| 50 | H | G | -1.6529 | |
| 51 | G | G | -1.5539 | |
| 52 | S | G | 0.0000 | |
| 53 | A | G | -1.4043 | |
| 54 | Q | G | -1.9018 | |
| 55 | V | G | 0.0000 | |
| 56 | K | G | -3.2628 | |
| 57 | G | G | -2.3774 | |
| 58 | H | G | -2.3500 | |
| 59 | G | G | 0.0000 | |
| 60 | K | G | -3.5955 | |
| 61 | K | G | -3.0689 | |
| 62 | V | G | -1.5889 | |
| 63 | A | G | 0.0000 | |
| 64 | D | G | -2.4211 | |
| 65 | A | G | -1.3737 | |
| 66 | L | G | 0.0000 | |
| 67 | T | G | -1.2354 | |
| 68 | N | G | -1.1694 | |
| 69 | A | G | 0.0000 | |
| 70 | V | G | 0.0000 | |
| 71 | A | G | -1.2086 | |
| 72 | H | G | -2.0601 | |
| 73 | V | G | 0.0000 | |
| 74 | D | G | -2.7634 | |
| 75 | D | G | -3.2362 | |
| 76 | M | G | 0.0000 | |
| 77 | P | G | -2.1440 | |
| 78 | N | G | -2.2081 | |
| 79 | A | G | -1.4541 | |
| 80 | L | G | 0.0000 | |
| 81 | S | G | -1.0148 | |
| 82 | A | G | -0.4670 | |
| 83 | L | G | -0.5803 | |
| 84 | S | G | 0.0000 | |
| 85 | D | G | -2.1909 | |
| 86 | L | G | -1.0707 | |
| 87 | H | G | -0.9378 | |
| 88 | A | G | -1.3659 | |
| 89 | H | G | -2.2176 | |
| 90 | K | G | -2.1646 | |
| 91 | L | G | -0.6506 | |
| 92 | R | G | -1.1860 | |
| 93 | V | G | -0.0976 | |
| 94 | D | G | 0.0000 | |
| 95 | P | G | -0.1470 | |
| 96 | V | G | -0.0541 | |
| 97 | N | G | 0.0000 | |
| 98 | F | G | -0.3081 | |
| 99 | K | G | -1.3353 | |
| 100 | L | G | -0.2760 | |
| 101 | L | G | -0.0285 | |
| 102 | S | G | -0.4077 | |
| 103 | H | G | 0.0000 | |
| 104 | C | G | 0.0000 | |
| 105 | L | G | 0.0000 | |
| 106 | L | G | 0.0000 | |
| 107 | V | G | 0.0000 | |
| 108 | T | G | 0.0000 | |
| 109 | L | G | 0.0000 | |
| 110 | A | G | 0.0000 | |
| 111 | A | G | 0.0000 | |
| 112 | H | G | -0.7361 | |
| 113 | L | G | -0.3855 | |
| 114 | P | G | -0.2919 | |
| 115 | A | G | -0.2692 | |
| 116 | E | G | -0.6844 | |
| 117 | F | G | 0.0000 | |
| 118 | T | G | -0.1449 | |
| 119 | P | G | -0.0690 | |
| 120 | A | G | -0.0373 | |
| 121 | V | G | -0.1182 | |
| 122 | H | G | 0.0000 | |
| 123 | A | G | -0.0718 | |
| 124 | S | G | 0.0000 | |
| 125 | L | G | 0.0000 | |
| 126 | D | G | -0.5094 | |
| 127 | K | G | -0.1818 | |
| 128 | F | G | 0.0000 | |
| 129 | L | G | 0.0000 | |
| 130 | A | G | -0.7151 | |
| 131 | S | G | 0.0000 | |
| 132 | V | G | 0.0000 | |
| 133 | S | G | -0.6433 | |
| 134 | T | G | -0.8065 | |
| 135 | V | G | 0.0000 | |
| 136 | L | G | -0.6647 | |
| 137 | T | G | -0.5058 | |
| 138 | S | G | -0.9464 | |
| 139 | K | G | -1.9013 | |
| 140 | Y | G | 0.0000 | |
| 141 | R | G | -2.1666 | |
| 1 | V | H | -0.7552 | |
| 2 | H | H | -1.1328 | |
| 3 | F | H | -1.4382 | |
| 4 | T | H | -1.8006 | |
| 5 | E | H | -2.9975 | |
| 6 | E | H | -2.9142 | |
| 7 | D | H | -2.1820 | |
| 8 | K | H | -2.3239 | |
| 9 | A | H | -1.4101 | |
| 10 | T | H | -1.1869 | |
| 11 | I | H | 0.0000 | |
| 12 | T | H | -1.1804 | |
| 13 | S | H | -0.7166 | |
| 14 | L | H | 0.0000 | |
| 15 | W | H | -0.7385 | |
| 16 | G | H | -1.3374 | |
| 17 | K | H | -2.0686 | |
| 18 | V | H | -1.7058 | |
| 19 | N | H | -2.3320 | |
| 20 | V | H | -2.1096 | |
| 21 | E | H | -3.3069 | |
| 22 | D | H | -3.2443 | |
| 23 | A | H | 0.0000 | |
| 24 | G | H | 0.0000 | |
| 25 | G | H | 0.0000 | |
| 26 | E | H | -1.2937 | |
| 27 | T | H | 0.0000 | |
| 28 | L | H | 0.0000 | |
| 29 | G | H | 0.0000 | |
| 30 | R | H | 0.0000 | |
| 31 | L | H | 0.0000 | |
| 32 | L | H | 0.0000 | |
| 33 | V | H | 0.1837 | |
| 34 | V | H | 0.0000 | |
| 35 | Y | H | 0.1252 | |
| 36 | P | H | -0.2669 | |
| 37 | W | H | 0.0000 | |
| 38 | T | H | 0.0000 | |
| 39 | Q | H | -0.5456 | |
| 40 | R | H | -0.8661 | |
| 41 | F | H | -0.0974 | |
| 42 | F | H | -0.9286 | |
| 43 | D | H | -1.9850 | |
| 44 | S | H | -1.4064 | |
| 45 | F | H | -1.3970 | |
| 46 | G | H | -1.7463 | |
| 47 | N | H | -1.8399 | |
| 48 | L | H | 0.0000 | |
| 49 | S | H | -0.7241 | |
| 50 | S | H | -0.4050 | |
| 51 | A | H | -0.1255 | |
| 52 | S | H | -0.4488 | |
| 53 | A | H | -0.6848 | |
| 54 | I | H | 0.0000 | |
| 55 | M | H | -0.5996 | |
| 56 | G | H | -1.0347 | |
| 57 | N | H | 0.0000 | |
| 58 | P | H | -1.5883 | |
| 59 | K | H | -2.3541 | |
| 60 | V | H | 0.0000 | |
| 61 | K | H | -2.7659 | |
| 62 | A | H | -2.1011 | |
| 63 | H | H | -1.8992 | |
| 64 | G | H | 0.0000 | |
| 65 | K | H | -2.5732 | |
| 66 | K | H | -2.2455 | |
| 67 | V | H | -0.6990 | |
| 68 | L | H | 0.0000 | |
| 69 | T | H | -1.3790 | |
| 70 | S | H | -1.0387 | |
| 71 | L | H | -0.8944 | |
| 72 | G | H | -1.5076 | |
| 73 | D | H | -2.5498 | |
| 74 | A | H | 0.0000 | |
| 75 | I | H | 0.0000 | |
| 76 | K | H | -3.2773 | |
| 77 | H | H | -3.3905 | |
| 78 | L | H | 0.0000 | |
| 79 | D | H | -3.4672 | |
| 80 | D | H | -3.7030 | |
| 81 | L | H | 0.0000 | |
| 82 | K | H | -2.6446 | |
| 83 | G | H | -2.2283 | |
| 84 | T | H | -2.1215 | |
| 85 | F | H | 0.0000 | |
| 86 | A | H | -1.4873 | |
| 87 | Q | H | -1.7417 | |
| 88 | L | H | -0.9892 | |
| 89 | S | H | 0.0000 | |
| 90 | E | H | -2.5172 | |
| 91 | L | H | -1.2704 | |
| 92 | H | H | -1.2075 | |
| 93 | C | H | 0.0000 | |
| 94 | D | H | -2.6381 | |
| 95 | K | H | -2.3075 | |
| 96 | L | H | -0.7738 | |
| 97 | H | H | -1.0454 | |
| 98 | V | H | 0.0000 | |
| 99 | D | H | -0.4484 | |
| 100 | P | H | -0.6181 | |
| 101 | E | H | -0.8744 | |
| 102 | N | H | 0.0000 | |
| 103 | F | H | 0.0000 | |
| 104 | K | H | -0.8418 | |
| 105 | L | H | -0.2599 | |
| 106 | L | H | 0.0124 | |
| 107 | G | H | -0.2313 | |
| 108 | N | H | -0.2933 | |
| 109 | V | H | 0.0000 | |
| 110 | L | H | 0.0000 | |
| 111 | V | H | 0.0000 | |
| 112 | T | H | 0.0000 | |
| 113 | V | H | 0.0000 | |
| 114 | L | H | 0.0000 | |
| 115 | A | H | 0.0000 | |
| 116 | I | H | -0.4094 | |
| 117 | H | H | -1.5578 | |
| 118 | F | H | -1.4095 | |
| 119 | G | H | -1.5891 | |
| 120 | K | H | -2.6749 | |
| 121 | E | H | -2.8555 | |
| 122 | F | H | 0.0000 | |
| 123 | T | H | -1.6560 | |
| 124 | P | H | -1.3216 | |
| 125 | E | H | -1.8848 | |
| 126 | V | H | -1.1414 | |
| 127 | Q | H | 0.0000 | |
| 128 | A | H | -0.4991 | |
| 129 | S | H | 0.0000 | |
| 130 | W | H | 0.0000 | |
| 131 | Q | H | 0.0000 | |
| 132 | K | H | -0.2667 | |
| 133 | M | H | 0.0000 | |
| 134 | V | H | 0.0000 | |
| 135 | T | H | -0.1954 | |
| 136 | G | H | 0.0000 | |
| 137 | V | H | -0.1909 | |
| 138 | A | H | 0.0000 | |
| 139 | S | H | -0.5074 | |
| 140 | A | H | 0.0000 | |
| 141 | L | H | -0.7631 | |
| 142 | S | H | -0.8318 | |
| 143 | S | H | -1.2708 | |
| 144 | R | H | -1.8802 | |
| 145 | Y | H | -1.1370 | |
| 146 | H | H | -0.4240 | |
| 1 | V | C | 0.3670 | |
| 2 | L | C | -0.2015 | |
| 3 | S | C | -0.6804 | |
| 4 | P | C | -0.4339 | |
| 5 | A | C | -0.5822 | |
| 6 | D | C | 0.0000 | |
| 7 | K | C | -1.1085 | |
| 8 | T | C | -0.8031 | |
| 9 | N | C | -0.8076 | |
| 10 | V | C | 0.0000 | |
| 11 | K | C | -1.7144 | |
| 12 | A | C | -1.3584 | |
| 13 | A | C | 0.0000 | |
| 14 | W | C | 0.0000 | |
| 15 | G | C | -1.8469 | |
| 16 | K | C | -2.3789 | |
| 17 | V | C | 0.0000 | |
| 18 | G | C | -1.3573 | |
| 19 | A | C | -1.0871 | |
| 20 | H | C | -1.9866 | |
| 21 | A | C | -1.8981 | |
| 22 | G | C | -2.5681 | |
| 23 | E | C | -2.6216 | |
| 24 | Y | C | 0.0000 | |
| 25 | G | C | 0.0000 | |
| 26 | A | C | 0.0000 | |
| 27 | E | C | -1.1783 | |
| 28 | A | C | 0.0000 | |
| 29 | L | C | 0.0000 | |
| 30 | E | C | -0.8016 | |
| 31 | R | C | 0.0000 | |
| 32 | M | C | 0.0000 | |
| 33 | F | C | 0.0000 | |
| 34 | L | C | -0.0169 | |
| 35 | S | C | 0.0000 | |
| 36 | F | C | 0.2003 | |
| 37 | P | C | -0.3232 | |
| 38 | T | C | 0.0000 | |
| 39 | T | C | 0.0000 | |
| 40 | K | C | -0.4600 | |
| 41 | T | C | -0.2680 | |
| 42 | Y | C | 0.0029 | |
| 43 | F | C | -0.2238 | |
| 44 | P | C | -0.7012 | |
| 45 | H | C | -1.2035 | |
| 46 | F | C | -0.8819 | |
| 47 | D | C | -1.7553 | |
| 48 | L | C | -1.1592 | |
| 49 | S | C | -1.1192 | |
| 50 | H | C | -1.6765 | |
| 51 | G | C | -1.7252 | |
| 52 | S | C | 0.0000 | |
| 53 | A | C | -1.2318 | |
| 54 | Q | C | -1.6975 | |
| 55 | V | C | 0.0000 | |
| 56 | K | C | -2.7471 | |
| 57 | G | C | -2.1210 | |
| 58 | H | C | -2.0944 | |
| 59 | G | C | 0.0000 | |
| 60 | K | C | -3.2938 | |
| 61 | K | C | -2.8139 | |
| 62 | V | C | -1.5998 | |
| 63 | A | C | 0.0000 | |
| 64 | D | C | -2.0913 | |
| 65 | A | C | -1.3385 | |
| 66 | L | C | 0.0000 | |
| 67 | T | C | -1.3912 | |
| 68 | N | C | -1.5982 | |
| 69 | A | C | 0.0000 | |
| 70 | V | C | 0.0000 | |
| 71 | A | C | -1.3599 | |
| 72 | H | C | -2.1518 | |
| 73 | V | C | -1.6608 | |
| 74 | D | C | -2.5522 | |
| 75 | D | C | -2.7875 | |
| 76 | M | C | 0.0000 | |
| 77 | P | C | -1.5638 | |
| 78 | N | C | -2.0872 | |
| 79 | A | C | -1.5728 | |
| 80 | L | C | 0.0000 | |
| 81 | S | C | -0.8123 | |
| 82 | A | C | -0.3926 | |
| 83 | L | C | -0.3531 | |
| 84 | S | C | 0.0000 | |
| 85 | D | C | -1.9649 | |
| 86 | L | C | -1.1064 | |
| 87 | H | C | -1.0919 | |
| 88 | A | C | 0.0000 | |
| 89 | H | C | -2.3699 | |
| 90 | K | C | -2.3027 | |
| 91 | L | C | -1.0642 | |
| 92 | R | C | -1.5902 | |
| 93 | V | C | -0.4401 | |
| 94 | D | C | 0.0000 | |
| 95 | P | C | -0.2463 | |
| 96 | V | C | -0.1564 | |
| 97 | N | C | 0.0000 | |
| 98 | F | C | -0.1561 | |
| 99 | K | C | -0.8755 | |
| 100 | L | C | -0.0932 | |
| 101 | L | C | 0.0830 | |
| 102 | S | C | -0.2722 | |
| 103 | H | C | 0.0000 | |
| 104 | C | C | 0.0000 | |
| 105 | L | C | 0.0000 | |
| 106 | L | C | 0.0000 | |
| 107 | V | C | 0.0000 | |
| 108 | T | C | 0.0000 | |
| 109 | L | C | 0.0000 | |
| 110 | A | C | 0.0000 | |
| 111 | A | C | 0.0000 | |
| 112 | H | C | -0.9944 | |
| 113 | L | C | -0.4571 | |
| 114 | P | C | -0.3256 | |
| 115 | A | C | -0.1511 | |
| 116 | E | C | -0.6011 | |
| 117 | F | C | 0.0000 | |
| 118 | T | C | -0.0591 | |
| 119 | P | C | -0.0361 | |
| 120 | A | C | 0.0468 | |
| 121 | V | C | -0.1634 | |
| 122 | H | C | 0.0000 | |
| 123 | A | C | 0.0000 | |
| 124 | S | C | 0.0000 | |
| 125 | L | C | 0.0000 | |
| 126 | D | C | -0.4381 | |
| 127 | K | C | -0.2352 | |
| 128 | F | C | 0.0000 | |
| 129 | L | C | 0.0000 | |
| 130 | A | C | -0.1573 | |
| 131 | S | C | 0.2686 | |
| 132 | V | C | 0.0000 | |
| 133 | S | C | -0.1546 | |
| 134 | T | C | -0.2071 | |
| 135 | V | C | -0.3292 | |
| 136 | L | C | 0.0000 | |
| 137 | T | C | 0.0000 | |
| 138 | S | C | -0.3466 | |
| 139 | K | C | -0.8049 | |
| 140 | Y | C | 0.0000 | |
| 141 | R | C | -0.0714 | |
| 2 | H | D | -2.2488 | |
| 3 | F | D | 0.0000 | |
| 4 | T | D | -1.9697 | |
| 5 | E | D | -3.0482 | |
| 6 | E | D | -3.0639 | |
| 7 | D | D | 0.0000 | |
| 8 | K | D | -2.5336 | |
| 9 | A | D | -1.4401 | |
| 10 | T | D | -1.1976 | |
| 11 | I | D | 0.0000 | |
| 12 | T | D | -1.0888 | |
| 13 | S | D | -0.7346 | |
| 14 | L | D | 0.0000 | |
| 15 | W | D | -0.8105 | |
| 16 | G | D | -1.3950 | |
| 17 | K | D | -2.1261 | |
| 18 | V | D | -1.8063 | |
| 19 | N | D | -2.5223 | |
| 20 | V | D | -2.0768 | |
| 21 | E | D | -3.1652 | |
| 22 | D | D | -3.1068 | |
| 23 | A | D | -2.0252 | |
| 24 | G | D | 0.0000 | |
| 25 | G | D | 0.0000 | |
| 26 | E | D | -1.3784 | |
| 27 | T | D | 0.0000 | |
| 28 | L | D | 0.0000 | |
| 29 | G | D | 0.0000 | |
| 30 | R | D | 0.0000 | |
| 31 | L | D | 0.0000 | |
| 32 | L | D | 0.0000 | |
| 33 | V | D | 0.2188 | |
| 34 | V | D | 0.0000 | |
| 35 | Y | D | 0.1389 | |
| 36 | P | D | -0.2133 | |
| 37 | W | D | 0.0880 | |
| 38 | T | D | 0.0000 | |
| 39 | Q | D | -0.4719 | |
| 40 | R | D | -0.5150 | |
| 41 | F | D | -0.0153 | |
| 42 | F | D | -0.7838 | |
| 43 | D | D | -1.9393 | |
| 44 | S | D | -1.4041 | |
| 45 | F | D | -1.3654 | |
| 46 | G | D | -1.7012 | |
| 47 | N | D | -1.9922 | |
| 48 | L | D | -0.9412 | |
| 49 | S | D | -0.6688 | |
| 50 | S | D | -0.4289 | |
| 51 | A | D | -0.1079 | |
| 52 | S | D | -0.4358 | |
| 53 | A | D | -0.6500 | |
| 54 | I | D | 0.0000 | |
| 55 | M | D | -0.5933 | |
| 56 | G | D | -1.1062 | |
| 57 | N | D | 0.0000 | |
| 58 | P | D | -1.6623 | |
| 59 | K | D | -2.4461 | |
| 60 | V | D | 0.0000 | |
| 61 | K | D | -2.6177 | |
| 62 | A | D | -2.1490 | |
| 63 | H | D | -1.8307 | |
| 64 | G | D | 0.0000 | |
| 65 | K | D | -2.8726 | |
| 66 | K | D | -1.9719 | |
| 67 | V | D | -0.8119 | |
| 68 | L | D | 0.0000 | |
| 69 | T | D | -1.2270 | |
| 70 | S | D | -0.8716 | |
| 71 | L | D | -0.6807 | |
| 72 | G | D | -1.3737 | |
| 73 | D | D | -2.3669 | |
| 74 | A | D | 0.0000 | |
| 75 | I | D | 0.0000 | |
| 76 | K | D | -3.2146 | |
| 77 | H | D | -3.5084 | |
| 78 | L | D | 0.0000 | |
| 79 | D | D | -3.7505 | |
| 80 | D | D | -3.8919 | |
| 81 | L | D | 0.0000 | |
| 82 | K | D | -2.9243 | |
| 83 | G | D | -2.2687 | |
| 84 | T | D | -2.1448 | |
| 85 | F | D | 0.0000 | |
| 86 | A | D | -1.5229 | |
| 87 | Q | D | -1.8515 | |
| 88 | L | D | -1.3652 | |
| 89 | S | D | 0.0000 | |
| 90 | E | D | -2.7515 | |
| 91 | L | D | -1.5607 | |
| 92 | H | D | -1.2939 | |
| 93 | C | D | 0.0000 | |
| 94 | D | D | -2.6156 | |
| 95 | K | D | -2.3614 | |
| 96 | L | D | -0.7941 | |
| 97 | H | D | -0.9724 | |
| 98 | V | D | -0.2166 | |
| 99 | D | D | 0.0000 | |
| 100 | P | D | -0.4620 | |
| 101 | E | D | -0.5157 | |
| 102 | N | D | 0.0000 | |
| 103 | F | D | 0.0000 | |
| 104 | K | D | -0.6895 | |
| 105 | L | D | -0.2174 | |
| 106 | L | D | -0.0078 | |
| 107 | G | D | -0.1886 | |
| 108 | N | D | -0.2738 | |
| 109 | V | D | 0.0000 | |
| 110 | L | D | 0.0000 | |
| 111 | V | D | 0.0000 | |
| 112 | T | D | 0.0000 | |
| 113 | V | D | 0.0000 | |
| 114 | L | D | 0.0000 | |
| 115 | A | D | 0.0000 | |
| 116 | I | D | -0.4513 | |
| 117 | H | D | -1.3857 | |
| 118 | F | D | -1.2647 | |
| 119 | G | D | -1.5050 | |
| 120 | K | D | -2.4768 | |
| 121 | E | D | -2.3428 | |
| 122 | F | D | 0.0000 | |
| 123 | T | D | -1.4938 | |
| 124 | P | D | -1.3191 | |
| 125 | E | D | -1.9502 | |
| 126 | V | D | -1.0086 | |
| 127 | Q | D | 0.0000 | |
| 128 | A | D | -0.4875 | |
| 129 | S | D | 0.0000 | |
| 130 | W | D | 0.0000 | |
| 131 | Q | D | 0.0000 | |
| 132 | K | D | -0.5528 | |
| 133 | M | D | 0.0000 | |
| 134 | V | D | 0.0000 | |
| 135 | T | D | -0.3363 | |
| 136 | G | D | -0.9972 | |
| 137 | V | D | -0.2459 | |
| 138 | A | D | 0.0000 | |
| 139 | S | D | -0.5709 | |
| 140 | A | D | 0.0000 | |
| 141 | L | D | -0.7616 | |
| 142 | S | D | -0.6629 | |
| 143 | S | D | -0.8543 | |
| 144 | R | D | -1.3722 | |
| 145 | Y | D | -0.5899 | |
| 146 | H | D | -0.2256 | |
| 1 | V | E | 1.1793 | |
| 2 | L | E | 0.0000 | |
| 3 | S | E | -0.0444 | |
| 4 | P | E | -0.3646 | |
| 5 | A | E | -0.5578 | |
| 6 | D | E | -0.6240 | |
| 7 | K | E | -1.2740 | |
| 8 | T | E | -0.9119 | |
| 9 | N | E | -0.9228 | |
| 10 | V | E | 0.0000 | |
| 11 | K | E | -1.7311 | |
| 12 | A | E | -1.2945 | |
| 13 | A | E | 0.0000 | |
| 14 | W | E | -1.1313 | |
| 15 | G | E | -1.6324 | |
| 16 | K | E | -2.0943 | |
| 17 | V | E | 0.0000 | |
| 18 | G | E | -1.2201 | |
| 19 | A | E | -0.9473 | |
| 20 | H | E | -1.6471 | |
| 21 | A | E | -1.6501 | |
| 22 | G | E | -2.4311 | |
| 23 | E | E | -2.5305 | |
| 24 | Y | E | 0.0000 | |
| 25 | G | E | 0.0000 | |
| 26 | A | E | 0.0000 | |
| 27 | E | E | -1.2190 | |
| 28 | A | E | 0.0000 | |
| 29 | L | E | 0.0000 | |
| 30 | E | E | -1.0318 | |
| 31 | R | E | 0.0000 | |
| 32 | M | E | 0.0000 | |
| 33 | F | E | 0.0000 | |
| 34 | L | E | -0.0803 | |
| 35 | S | E | -0.0274 | |
| 36 | F | E | 0.2217 | |
| 37 | P | E | -0.0906 | |
| 38 | T | E | 0.0000 | |
| 39 | T | E | 0.0000 | |
| 40 | K | E | -0.3762 | |
| 41 | T | E | -0.1905 | |
| 42 | Y | E | 0.0860 | |
| 43 | F | E | -0.3180 | |
| 44 | P | E | -0.7618 | |
| 45 | H | E | -1.1945 | |
| 46 | F | E | -1.0198 | |
| 47 | D | E | -1.7774 | |
| 48 | L | E | -1.2438 | |
| 49 | S | E | -1.1445 | |
| 50 | H | E | -1.5936 | |
| 51 | G | E | -1.5173 | |
| 52 | S | E | 0.0000 | |
| 53 | A | E | -1.3569 | |
| 54 | Q | E | -1.8213 | |
| 55 | V | E | 0.0000 | |
| 56 | K | E | -3.1436 | |
| 57 | G | E | -2.3337 | |
| 58 | H | E | -2.2052 | |
| 59 | G | E | 0.0000 | |
| 60 | K | E | -3.2262 | |
| 61 | K | E | -2.7852 | |
| 62 | V | E | -1.4179 | |
| 63 | A | E | 0.0000 | |
| 64 | D | E | -1.9294 | |
| 65 | A | E | -1.2510 | |
| 66 | L | E | 0.0000 | |
| 67 | T | E | -1.2608 | |
| 68 | N | E | -1.4815 | |
| 69 | A | E | 0.0000 | |
| 70 | V | E | 0.0000 | |
| 71 | A | E | -1.2605 | |
| 72 | H | E | -1.8835 | |
| 73 | V | E | -1.7524 | |
| 74 | D | E | -2.3832 | |
| 75 | D | E | -2.4158 | |
| 76 | M | E | 0.0000 | |
| 77 | P | E | -1.3711 | |
| 78 | N | E | -1.9093 | |
| 79 | A | E | -1.3961 | |
| 80 | L | E | 0.0000 | |
| 81 | S | E | -1.0527 | |
| 82 | A | E | -0.6426 | |
| 83 | L | E | -0.3656 | |
| 84 | S | E | 0.0000 | |
| 85 | D | E | -2.4091 | |
| 86 | L | E | -0.9737 | |
| 87 | H | E | -0.8289 | |
| 88 | A | E | 0.0000 | |
| 89 | H | E | -2.1725 | |
| 90 | K | E | -1.9200 | |
| 91 | L | E | -0.3148 | |
| 92 | R | E | -1.0250 | |
| 93 | V | E | 0.0857 | |
| 94 | D | E | 0.0000 | |
| 95 | P | E | 0.0767 | |
| 96 | V | E | 0.4083 | |
| 97 | N | E | 0.0000 | |
| 98 | F | E | -0.0652 | |
| 99 | K | E | -0.8978 | |
| 100 | L | E | -0.0977 | |
| 101 | L | E | 0.0621 | |
| 102 | S | E | -0.3306 | |
| 103 | H | E | 0.0000 | |
| 104 | C | E | 0.0000 | |
| 105 | L | E | 0.0000 | |
| 106 | L | E | 0.0000 | |
| 107 | V | E | 0.0000 | |
| 108 | T | E | 0.0000 | |
| 109 | L | E | 0.0000 | |
| 110 | A | E | 0.0000 | |
| 111 | A | E | 0.0000 | |
| 112 | H | E | -0.7904 | |
| 113 | L | E | -0.4057 | |
| 114 | P | E | -0.3577 | |
| 115 | A | E | -0.3581 | |
| 116 | E | E | -0.8450 | |
| 117 | F | E | 0.0000 | |
| 118 | T | E | -0.1918 | |
| 119 | P | E | -0.0819 | |
| 120 | A | E | -0.0520 | |
| 121 | V | E | -0.1537 | |
| 122 | H | E | 0.0000 | |
| 123 | A | E | -0.0559 | |
| 124 | S | E | 0.0000 | |
| 125 | L | E | 0.0000 | |
| 126 | D | E | -0.5160 | |
| 127 | K | E | -0.1935 | |
| 128 | F | E | 0.0000 | |
| 129 | L | E | 0.0000 | |
| 130 | A | E | -0.4325 | |
| 131 | S | E | 0.0942 | |
| 132 | V | E | 0.0000 | |
| 133 | S | E | -0.1160 | |
| 134 | T | E | -0.0390 | |
| 135 | V | E | -0.4799 | |
| 136 | L | E | 0.0000 | |
| 137 | T | E | -0.3181 | |
| 138 | S | E | -0.8108 | |
| 139 | K | E | -1.7367 | |
| 140 | Y | E | -1.7420 | |
| 141 | R | E | -2.3734 | |
| 1 | V | F | -0.4856 | |
| 2 | H | F | -1.0907 | |
| 3 | F | F | -1.3841 | |
| 4 | T | F | -1.7877 | |
| 5 | E | F | -3.0140 | |
| 6 | E | F | -3.0729 | |
| 7 | D | F | 0.0000 | |
| 8 | K | F | -2.3625 | |
| 9 | A | F | -1.4612 | |
| 10 | T | F | -1.1633 | |
| 11 | I | F | 0.0000 | |
| 12 | T | F | -0.9658 | |
| 13 | S | F | -0.5193 | |
| 14 | L | F | -0.4659 | |
| 15 | W | F | -0.3919 | |
| 16 | G | F | -0.9728 | |
| 17 | K | F | -1.5616 | |
| 18 | V | F | -1.2770 | |
| 19 | N | F | -2.0801 | |
| 20 | V | F | -1.9053 | |
| 21 | E | F | -3.4371 | |
| 22 | D | F | -3.1616 | |
| 23 | A | F | 0.0000 | |
| 24 | G | F | 0.0000 | |
| 25 | G | F | 0.0000 | |
| 26 | E | F | -1.3652 | |
| 27 | T | F | 0.0000 | |
| 28 | L | F | 0.0000 | |
| 29 | G | F | 0.0000 | |
| 30 | R | F | 0.0000 | |
| 31 | L | F | 0.0000 | |
| 32 | L | F | 0.0000 | |
| 33 | V | F | 0.1918 | |
| 34 | V | F | 0.0000 | |
| 35 | Y | F | 0.0456 | |
| 36 | P | F | -0.3666 | |
| 37 | W | F | 0.0000 | |
| 38 | T | F | 0.0000 | |
| 39 | Q | F | -0.6697 | |
| 40 | R | F | -0.8301 | |
| 41 | F | F | -0.1392 | |
| 42 | F | F | -0.9294 | |
| 43 | D | F | -2.0093 | |
| 44 | S | F | -1.3747 | |
| 45 | F | F | -1.2712 | |
| 46 | G | F | -1.6891 | |
| 47 | N | F | -1.8410 | |
| 48 | L | F | 0.0000 | |
| 49 | S | F | -0.7218 | |
| 50 | S | F | -0.3966 | |
| 51 | A | F | -0.1121 | |
| 52 | S | F | -0.4387 | |
| 53 | A | F | -0.6486 | |
| 54 | I | F | 0.0000 | |
| 55 | M | F | -0.5489 | |
| 56 | G | F | -0.9984 | |
| 57 | N | F | 0.0000 | |
| 58 | P | F | -1.4649 | |
| 59 | K | F | -2.0672 | |
| 60 | V | F | 0.0000 | |
| 61 | K | F | -2.7757 | |
| 62 | A | F | -2.2537 | |
| 63 | H | F | -1.9271 | |
| 64 | G | F | 0.0000 | |
| 65 | K | F | -2.8181 | |
| 66 | K | F | -2.2313 | |
| 67 | V | F | -0.7884 | |
| 68 | L | F | 0.0000 | |
| 69 | T | F | -1.2952 | |
| 70 | S | F | -0.9764 | |
| 71 | L | F | -0.8028 | |
| 72 | G | F | 0.0000 | |
| 73 | D | F | -2.4434 | |
| 74 | A | F | 0.0000 | |
| 75 | I | F | 0.0000 | |
| 76 | K | F | -3.0614 | |
| 77 | H | F | -3.1788 | |
| 78 | L | F | 0.0000 | |
| 79 | D | F | -3.1615 | |
| 80 | D | F | -3.0846 | |
| 81 | L | F | 0.0000 | |
| 82 | K | F | -2.7534 | |
| 83 | G | F | -2.0253 | |
| 84 | T | F | -1.9694 | |
| 85 | F | F | 0.0000 | |
| 86 | A | F | -1.4577 | |
| 87 | Q | F | -1.5919 | |
| 88 | L | F | -0.8315 | |
| 89 | S | F | 0.0000 | |
| 90 | E | F | -2.1070 | |
| 91 | L | F | -1.3526 | |
| 92 | H | F | -1.3020 | |
| 93 | C | F | -1.8672 | |
| 94 | D | F | -2.8835 | |
| 95 | K | F | -2.3852 | |
| 96 | L | F | -0.9199 | |
| 97 | H | F | -1.1638 | |
| 98 | V | F | 0.0000 | |
| 99 | D | F | -0.4805 | |
| 100 | P | F | -0.7317 | |
| 101 | E | F | -1.0257 | |
| 102 | N | F | 0.0000 | |
| 103 | F | F | 0.0000 | |
| 104 | K | F | -0.7855 | |
| 105 | L | F | 0.0000 | |
| 106 | L | F | -0.0526 | |
| 107 | G | F | -0.1954 | |
| 108 | N | F | -0.2218 | |
| 109 | V | F | 0.0000 | |
| 110 | L | F | 0.0000 | |
| 111 | V | F | 0.0000 | |
| 112 | T | F | 0.0000 | |
| 113 | V | F | 0.0000 | |
| 114 | L | F | 0.0000 | |
| 115 | A | F | 0.0000 | |
| 116 | I | F | -0.5003 | |
| 117 | H | F | -1.4479 | |
| 118 | F | F | 0.0000 | |
| 119 | G | F | -1.7307 | |
| 120 | K | F | -2.7473 | |
| 121 | E | F | -2.9328 | |
| 122 | F | F | 0.0000 | |
| 123 | T | F | -1.6428 | |
| 124 | P | F | -1.2943 | |
| 125 | E | F | -2.0483 | |
| 126 | V | F | -1.1338 | |
| 127 | Q | F | 0.0000 | |
| 128 | A | F | -0.4920 | |
| 129 | S | F | 0.0000 | |
| 130 | W | F | 0.0000 | |
| 131 | Q | F | 0.0000 | |
| 132 | K | F | -0.3169 | |
| 133 | M | F | 0.0000 | |
| 134 | V | F | 0.0000 | |
| 135 | T | F | -0.1039 | |
| 136 | G | F | 0.0000 | |
| 137 | V | F | -0.1481 | |
| 138 | A | F | -0.4466 | |
| 139 | S | F | -0.5889 | |
| 140 | A | F | 0.0000 | |
| 141 | L | F | -0.7466 | |
| 142 | S | F | -1.0009 | |
| 143 | S | F | -1.6642 | |
| 144 | R | F | -2.7535 | |
| 145 | Y | F | -1.5751 | |
| 146 | H | F | -0.8699 |
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 | -0.8059 | 1.8941 | View | CSV | PDB |
| 4.5 | -0.8661 | 1.8771 | View | CSV | PDB |
| 5.0 | -0.9329 | 1.8578 | View | CSV | PDB |
| 5.5 | -0.9897 | 1.8392 | View | CSV | PDB |
| 6.0 | -1.0197 | 1.8244 | View | CSV | PDB |
| 6.5 | -1.015 | 1.8163 | View | CSV | PDB |
| 7.0 | -0.9843 | 1.8143 | View | CSV | PDB |
| 7.5 | -0.9416 | 1.8159 | View | CSV | PDB |
| 8.0 | -0.8938 | 1.8224 | View | CSV | PDB |
| 8.5 | -0.8398 | 1.8716 | View | CSV | PDB |
| 9.0 | -0.7765 | 1.921 | 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