| Chain sequence(s) |
A: MTTASRSPLRKNFSPELEAALNEQALLELTASNTYLAMSAYFARPEVALPNAAAYFAAQSAEELEHAKAIMALINELGGHIDWRDIPAPELQEFSSLLAAVDYALAIEFRTTAQLHRLLVLAQAERRPDLVAWIRTNYLAQQDAAIAELLAHRAALRAAGAPEDPRAERAYDATVLG
C: MTTASRSPLRKNFSPELEAALNEQALLELTASNTYLAMSAYFARPEVALPNAAAYFAAQSAEELEHAKAIMALINELGGHIDWRDIPAPELQEFSSLLAAVDYALAIEFRTTAQLHRLLVLAQAERRPDLVAWIRTNYLAQQDAAIAELLAHRAALRAAGAPEDPRAERAYDATVLG B: MTTASRSPLRKNFSPELEAALNEQALLELTASNTYLAMSAYFARPEVALPNAAAYFAAQSAEELEHAKAIMALINELGGHIDWRDIPAPELQEFSSLLAAVDYALAIEFRTTAQLHRLLVLAQAERRPDLVAWIRTNYLAQQDAAIAELLAHRAALRAAGAPEDPRAERAYDATVLG E: MTTASRSPLRKNFSPELEAALNEQALLELTASNTYLAMSAYFARPEVALPNAAAYFAAQSAEELEHAKAIMALINELGGHIDWRDIPAPELQEFSSLLAAVDYALAIEFRTTAQLHRLLVLAQAERRPDLVAWIRTNYLAQQDAAIAELLAHRAALRAAGAPEDPRAERAYDATVLG D: MTTASRSPLRKNFSPELEAALNEQALLELTASNTYLAMSAYFARPEVALPNAAAYFAAQSAEELEHAKAIMALINELGGHIDWRDIPAPELQEFSSLLAAVDYALAIEFRTTAQLHRLLVLAQAERRPDLVAWIRTNYLAQQDAAIAELLAHRAALRAAGAPEDPRAERAYDATVLG G: MTTASRSPLRKNFSPELEAALNEQALLELTASNTYLAMSAYFARPEVALPNAAAYFAAQSAEELEHAKAIMALINELGGHIDWRDIPAPELQEFSSLLAAVDYALAIEFRTTAQLHRLLVLAQAERRPDLVAWIRTNYLAQQDAAIAELLAHRAALRAAGAPEDPRAERAYDATVLG F: MTTASRSPLRKNFSPELEAALNEQALLELTASNTYLAMSAYFARPEVALPNAAAYFAAQSAEELEHAKAIMALINELGGHIDWRDIPAPELQEFSSLLAAVDYALAIEFRTTAQLHRLLVLAQAERRPDLVAWIRTNYLAQQDAAIAELLAHRAALRAAGAPEDPRAERAYDATVLG H: MTTASRSPLRKNFSPELEAALNEQALLELTASNTYLAMSAYFARPEVALPNAAAYFAAQSAEELEHAKAIMALINELGGHIDWRDIPAPELQEFSSLLAAVDYALAIEFRTTAQLHRLLVLAQAERRPDLVAWIRTNYLAQQDAAIAELLAHRAALRAAGAPEDPRAERAYDATVLG 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] (00:00:06)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:06)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:06)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:06)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:09)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:35)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5040f67e4e04548/tmp/folded.pdb (00:17:35)
[INFO] Main: Simulation completed successfully. (00:25:58)
|
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 | 1.0087 | |
| 2 | T | A | 0.3983 | |
| 3 | T | A | -0.1095 | |
| 4 | A | A | -0.4477 | |
| 5 | S | A | -1.1669 | |
| 6 | R | A | -2.0015 | |
| 7 | S | A | 0.0000 | |
| 8 | P | A | -1.0465 | |
| 9 | L | A | -0.9520 | |
| 10 | R | A | -1.7144 | |
| 11 | K | A | -2.2449 | |
| 12 | N | A | -2.3627 | |
| 13 | F | A | 0.0000 | |
| 14 | S | A | -1.0282 | |
| 15 | P | A | -0.8193 | |
| 16 | E | A | -0.8818 | |
| 17 | L | A | 0.0000 | |
| 18 | E | A | -0.8550 | |
| 19 | A | A | -0.9636 | |
| 20 | A | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | N | A | 0.0000 | |
| 23 | E | A | -1.2116 | |
| 24 | Q | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | L | A | -0.7213 | |
| 27 | L | A | 0.0101 | |
| 28 | E | A | 0.0000 | |
| 29 | L | A | 0.0000 | |
| 30 | T | A | -0.2049 | |
| 31 | A | A | 0.0000 | |
| 32 | S | A | 0.0000 | |
| 33 | N | A | 0.0000 | |
| 34 | T | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | M | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | A | A | -0.2796 | |
| 41 | Y | A | -0.4692 | |
| 42 | F | A | 0.0000 | |
| 43 | A | A | -0.3275 | |
| 44 | R | A | 0.0000 | |
| 45 | P | A | -0.5387 | |
| 46 | E | A | -0.6163 | |
| 47 | V | A | -0.2355 | |
| 48 | A | A | -0.3532 | |
| 49 | L | A | 0.0000 | |
| 50 | P | A | -0.4787 | |
| 51 | N | A | -0.3530 | |
| 52 | A | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | A | A | -0.0751 | |
| 55 | Y | A | 0.0417 | |
| 56 | F | A | 0.0000 | |
| 57 | A | A | -0.1720 | |
| 58 | A | A | -0.2152 | |
| 59 | Q | A | -0.5763 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.8693 | |
| 62 | E | A | -1.8355 | |
| 63 | E | A | 0.0000 | |
| 64 | L | A | -1.1685 | |
| 65 | E | A | -2.3504 | |
| 66 | H | A | -1.4974 | |
| 67 | A | A | 0.0000 | |
| 68 | K | A | -1.3306 | |
| 69 | A | A | -0.8396 | |
| 70 | I | A | 0.0000 | |
| 71 | M | A | 0.0000 | |
| 72 | A | A | -0.4570 | |
| 73 | L | A | -0.4718 | |
| 74 | I | A | 0.0000 | |
| 75 | N | A | 0.0000 | |
| 76 | E | A | -1.8382 | |
| 77 | L | A | -1.1266 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | H | A | -1.1013 | |
| 81 | I | A | -1.0134 | |
| 82 | D | A | -2.2064 | |
| 83 | W | A | 0.0000 | |
| 84 | R | A | -2.3931 | |
| 85 | D | A | -2.7970 | |
| 86 | I | A | 0.0000 | |
| 87 | P | A | -2.0565 | |
| 88 | A | A | -2.4115 | |
| 89 | P | A | 0.0000 | |
| 90 | E | A | -2.0566 | |
| 91 | L | A | -1.4345 | |
| 92 | Q | A | -1.9014 | |
| 93 | E | A | -2.1874 | |
| 94 | F | A | 0.0000 | |
| 95 | S | A | -0.6033 | |
| 96 | S | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | D | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | I | A | 0.1778 | |
| 108 | E | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | R | A | -0.0700 | |
| 111 | T | A | 0.0000 | |
| 112 | T | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | Q | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | H | A | 0.0000 | |
| 117 | R | A | -0.3590 | |
| 118 | L | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | -0.3468 | |
| 121 | L | A | -0.4792 | |
| 122 | A | A | 0.0000 | |
| 123 | Q | A | -1.7440 | |
| 124 | A | A | -0.9742 | |
| 125 | E | A | -1.6258 | |
| 126 | R | A | -2.7996 | |
| 127 | R | A | -2.4323 | |
| 128 | P | A | -1.9739 | |
| 129 | D | A | -2.3044 | |
| 130 | L | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | A | A | -1.2157 | |
| 133 | W | A | -0.9365 | |
| 134 | I | A | 0.0000 | |
| 135 | R | A | -1.4624 | |
| 136 | T | A | -1.1456 | |
| 137 | N | A | -1.4604 | |
| 138 | Y | A | 0.0000 | |
| 139 | L | A | -0.8924 | |
| 140 | A | A | -1.0511 | |
| 141 | Q | A | -1.4021 | |
| 142 | Q | A | 0.0000 | |
| 143 | D | A | -0.8921 | |
| 144 | A | A | -0.7058 | |
| 145 | A | A | -0.6560 | |
| 146 | I | A | 0.0000 | |
| 147 | A | A | -0.5789 | |
| 148 | E | A | -1.0544 | |
| 149 | L | A | 0.0000 | |
| 150 | L | A | 0.0452 | |
| 151 | A | A | -0.1787 | |
| 152 | H | A | -0.0984 | |
| 153 | R | A | 0.0000 | |
| 154 | A | A | -0.2340 | |
| 155 | A | A | -0.0064 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -1.0446 | |
| 158 | A | A | -0.3995 | |
| 159 | A | A | -0.6950 | |
| 160 | G | A | -1.1114 | |
| 161 | A | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | E | A | -1.4572 | |
| 164 | D | A | -1.8204 | |
| 165 | P | A | -1.8446 | |
| 166 | R | A | -2.6471 | |
| 167 | A | A | -1.7283 | |
| 168 | E | A | 0.0000 | |
| 169 | R | A | -1.9524 | |
| 170 | A | A | -0.7555 | |
| 171 | Y | A | 0.0000 | |
| 172 | D | A | 0.0000 | |
| 173 | A | A | -0.0290 | |
| 174 | T | A | 0.5005 | |
| 175 | V | A | 1.5842 | |
| 176 | L | A | 0.7340 | |
| 177 | G | A | 0.0687 | |
| 1 | M | B | 1.0087 | |
| 2 | T | B | 0.3982 | |
| 3 | T | B | -0.1043 | |
| 4 | A | B | -0.4527 | |
| 5 | S | B | -1.1686 | |
| 6 | R | B | -1.8984 | |
| 7 | S | B | 0.0000 | |
| 8 | P | B | -0.5539 | |
| 9 | L | B | -0.0980 | |
| 10 | R | B | -1.4039 | |
| 11 | K | B | -2.1190 | |
| 12 | N | B | -2.3725 | |
| 13 | F | B | 0.0000 | |
| 14 | S | B | -1.0615 | |
| 15 | P | B | -0.8190 | |
| 16 | E | B | -0.8623 | |
| 17 | L | B | 0.0000 | |
| 18 | E | B | -0.8552 | |
| 19 | A | B | -0.9369 | |
| 20 | A | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | N | B | 0.0000 | |
| 23 | E | B | -1.3621 | |
| 24 | Q | B | 0.0000 | |
| 25 | A | B | 0.0000 | |
| 26 | L | B | 0.0000 | |
| 27 | L | B | -0.0279 | |
| 28 | E | B | 0.0000 | |
| 29 | L | B | 0.0000 | |
| 30 | T | B | -0.2775 | |
| 31 | A | B | 0.0000 | |
| 32 | S | B | 0.0000 | |
| 33 | N | B | 0.0000 | |
| 34 | T | B | 0.0000 | |
| 35 | Y | B | 0.0000 | |
| 36 | L | B | 0.0000 | |
| 37 | A | B | 0.0000 | |
| 38 | M | B | 0.0000 | |
| 39 | S | B | 0.0000 | |
| 40 | A | B | -0.3334 | |
| 41 | Y | B | -0.6696 | |
| 42 | F | B | 0.0000 | |
| 43 | A | B | -0.5924 | |
| 44 | R | B | -1.0764 | |
| 45 | P | B | -1.2976 | |
| 46 | E | B | -1.9107 | |
| 47 | V | B | -0.8553 | |
| 48 | A | B | -0.7545 | |
| 49 | L | B | 0.0000 | |
| 50 | P | B | -0.5143 | |
| 51 | N | B | -0.3526 | |
| 52 | A | B | 0.0000 | |
| 53 | A | B | 0.0000 | |
| 54 | A | B | -0.0417 | |
| 55 | Y | B | 0.1033 | |
| 56 | F | B | 0.0000 | |
| 57 | A | B | -0.1050 | |
| 58 | A | B | -0.0891 | |
| 59 | Q | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | A | B | -0.7520 | |
| 62 | E | B | -1.5895 | |
| 63 | E | B | 0.0000 | |
| 64 | L | B | -1.0807 | |
| 65 | E | B | -2.2266 | |
| 66 | H | B | 0.0000 | |
| 67 | A | B | 0.0000 | |
| 68 | K | B | -1.2281 | |
| 69 | A | B | -0.7669 | |
| 70 | I | B | 0.0000 | |
| 71 | M | B | 0.0000 | |
| 72 | A | B | -0.4199 | |
| 73 | L | B | -0.4877 | |
| 74 | I | B | 0.0000 | |
| 75 | N | B | 0.0000 | |
| 76 | E | B | -1.6342 | |
| 77 | L | B | -1.0891 | |
| 78 | G | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | H | B | -1.1279 | |
| 81 | I | B | -1.1412 | |
| 82 | D | B | -2.4413 | |
| 83 | W | B | 0.0000 | |
| 84 | R | B | -3.4389 | |
| 85 | D | B | -3.2978 | |
| 86 | I | B | 0.0000 | |
| 87 | P | B | -2.0662 | |
| 88 | A | B | -2.0682 | |
| 89 | P | B | 0.0000 | |
| 90 | E | B | -2.0780 | |
| 91 | L | B | -1.4471 | |
| 92 | Q | B | -1.8835 | |
| 93 | E | B | -2.1873 | |
| 94 | F | B | 0.0000 | |
| 95 | S | B | -0.5209 | |
| 96 | S | B | 0.0000 | |
| 97 | L | B | 0.0000 | |
| 98 | L | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | D | B | 0.0000 | |
| 103 | Y | B | 0.0000 | |
| 104 | A | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | A | B | 0.0000 | |
| 107 | I | B | 0.1843 | |
| 108 | E | B | 0.0000 | |
| 109 | F | B | 0.0000 | |
| 110 | R | B | -0.0628 | |
| 111 | T | B | 0.0000 | |
| 112 | T | B | 0.0000 | |
| 113 | A | B | 0.0000 | |
| 114 | Q | B | 0.0000 | |
| 115 | L | B | 0.0000 | |
| 116 | H | B | 0.0000 | |
| 117 | R | B | -0.3054 | |
| 118 | L | B | 0.0000 | |
| 119 | L | B | 0.0000 | |
| 120 | V | B | -0.2403 | |
| 121 | L | B | -0.3592 | |
| 122 | A | B | 0.0000 | |
| 123 | Q | B | -1.3800 | |
| 124 | A | B | -0.8046 | |
| 125 | E | B | -1.4976 | |
| 126 | R | B | -2.5934 | |
| 127 | R | B | -2.1587 | |
| 128 | P | B | -1.8023 | |
| 129 | D | B | -2.2006 | |
| 130 | L | B | 0.0000 | |
| 131 | V | B | 0.0000 | |
| 132 | A | B | -1.1023 | |
| 133 | W | B | -0.8861 | |
| 134 | I | B | 0.0000 | |
| 135 | R | B | -1.3026 | |
| 136 | T | B | -1.0400 | |
| 137 | N | B | -1.3428 | |
| 138 | Y | B | 0.0000 | |
| 139 | L | B | -0.8003 | |
| 140 | A | B | -0.9477 | |
| 141 | Q | B | -1.2146 | |
| 142 | Q | B | 0.0000 | |
| 143 | D | B | -0.8956 | |
| 144 | A | B | -0.6835 | |
| 145 | A | B | -0.6237 | |
| 146 | I | B | 0.0000 | |
| 147 | A | B | -0.5950 | |
| 148 | E | B | -1.1060 | |
| 149 | L | B | 0.0000 | |
| 150 | L | B | 0.0385 | |
| 151 | A | B | -0.1917 | |
| 152 | H | B | -0.1147 | |
| 153 | R | B | 0.0000 | |
| 154 | A | B | -0.2480 | |
| 155 | A | B | -0.0151 | |
| 156 | L | B | 0.0000 | |
| 157 | R | B | -1.0878 | |
| 158 | A | B | -0.4133 | |
| 159 | A | B | -0.6831 | |
| 160 | G | B | -1.1386 | |
| 161 | A | B | 0.0000 | |
| 162 | P | B | 0.0000 | |
| 163 | E | B | -1.5681 | |
| 164 | D | B | -1.8427 | |
| 165 | P | B | -1.8731 | |
| 166 | R | B | -2.6671 | |
| 167 | A | B | -1.7520 | |
| 168 | E | B | 0.0000 | |
| 169 | R | B | -2.0052 | |
| 170 | A | B | -0.7829 | |
| 171 | Y | B | 0.0000 | |
| 172 | D | B | 0.0000 | |
| 173 | A | B | -0.0441 | |
| 174 | T | B | 0.4928 | |
| 175 | V | B | 1.5845 | |
| 176 | L | B | 0.7392 | |
| 177 | G | B | 0.0729 | |
| 1 | M | C | 1.0088 | |
| 2 | T | C | 0.3157 | |
| 3 | T | C | -0.1061 | |
| 4 | A | C | -0.4515 | |
| 5 | S | C | -1.1691 | |
| 6 | R | C | -1.9740 | |
| 7 | S | C | 0.0000 | |
| 8 | P | C | -0.8135 | |
| 9 | L | C | -0.6158 | |
| 10 | R | C | -1.6581 | |
| 11 | K | C | -2.2544 | |
| 12 | N | C | -2.4274 | |
| 13 | F | C | 0.0000 | |
| 14 | S | C | -1.0765 | |
| 15 | P | C | -0.8367 | |
| 16 | E | C | -0.9158 | |
| 17 | L | C | 0.0000 | |
| 18 | E | C | -0.8919 | |
| 19 | A | C | -0.9847 | |
| 20 | A | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | N | C | -1.3378 | |
| 23 | E | C | -1.3922 | |
| 24 | Q | C | 0.0000 | |
| 25 | A | C | 0.0000 | |
| 26 | L | C | 0.0000 | |
| 27 | L | C | -0.0495 | |
| 28 | E | C | 0.0000 | |
| 29 | L | C | 0.0000 | |
| 30 | T | C | -0.2868 | |
| 31 | A | C | 0.0000 | |
| 32 | S | C | 0.0000 | |
| 33 | N | C | 0.0000 | |
| 34 | T | C | 0.0000 | |
| 35 | Y | C | 0.0000 | |
| 36 | L | C | 0.0000 | |
| 37 | A | C | 0.0000 | |
| 38 | M | C | 0.0000 | |
| 39 | S | C | 0.0000 | |
| 40 | A | C | -0.3644 | |
| 41 | Y | C | -0.7009 | |
| 42 | F | C | 0.0000 | |
| 43 | A | C | -0.5479 | |
| 44 | R | C | -0.9928 | |
| 45 | P | C | -1.1018 | |
| 46 | E | C | -1.5745 | |
| 47 | V | C | -0.7121 | |
| 48 | A | C | -0.6706 | |
| 49 | L | C | 0.0000 | |
| 50 | P | C | -0.5108 | |
| 51 | N | C | -0.3525 | |
| 52 | A | C | 0.0000 | |
| 53 | A | C | 0.0000 | |
| 54 | A | C | -0.0610 | |
| 55 | Y | C | 0.0700 | |
| 56 | F | C | 0.0000 | |
| 57 | A | C | -0.2502 | |
| 58 | A | C | -0.3669 | |
| 59 | Q | C | -0.7970 | |
| 60 | S | C | 0.0000 | |
| 61 | A | C | -1.1901 | |
| 62 | E | C | -2.4990 | |
| 63 | E | C | 0.0000 | |
| 64 | L | C | -1.4084 | |
| 65 | E | C | -2.6047 | |
| 66 | H | C | -1.6686 | |
| 67 | A | C | 0.0000 | |
| 68 | K | C | -1.4630 | |
| 69 | A | C | -0.8514 | |
| 70 | I | C | 0.0000 | |
| 71 | M | C | 0.0000 | |
| 72 | A | C | -0.4555 | |
| 73 | L | C | -0.5060 | |
| 74 | I | C | 0.0000 | |
| 75 | N | C | 0.0000 | |
| 76 | E | C | -1.7181 | |
| 77 | L | C | -1.1774 | |
| 78 | G | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | H | C | -1.1240 | |
| 81 | I | C | -1.1486 | |
| 82 | D | C | -2.4587 | |
| 83 | W | C | 0.0000 | |
| 84 | R | C | -3.4763 | |
| 85 | D | C | -3.4551 | |
| 86 | I | C | 0.0000 | |
| 87 | P | C | -2.2793 | |
| 88 | A | C | -2.4656 | |
| 89 | P | C | 0.0000 | |
| 90 | E | C | -2.1281 | |
| 91 | L | C | -1.5819 | |
| 92 | Q | C | -2.1637 | |
| 93 | E | C | -2.3316 | |
| 94 | F | C | 0.0000 | |
| 95 | S | C | -0.5191 | |
| 96 | S | C | 0.0000 | |
| 97 | L | C | 0.0000 | |
| 98 | L | C | 0.0000 | |
| 99 | A | C | 0.0000 | |
| 100 | A | C | 0.0000 | |
| 101 | V | C | 0.0000 | |
| 102 | D | C | 0.0000 | |
| 103 | Y | C | 0.0000 | |
| 104 | A | C | 0.0000 | |
| 105 | L | C | 0.0000 | |
| 106 | A | C | 0.0000 | |
| 107 | I | C | 0.1811 | |
| 108 | E | C | 0.0000 | |
| 109 | F | C | 0.0000 | |
| 110 | R | C | -0.0663 | |
| 111 | T | C | 0.0000 | |
| 112 | T | C | 0.0000 | |
| 113 | A | C | 0.0000 | |
| 114 | Q | C | 0.0000 | |
| 115 | L | C | 0.0000 | |
| 116 | H | C | 0.0000 | |
| 117 | R | C | -0.3197 | |
| 118 | L | C | 0.0000 | |
| 119 | L | C | 0.0000 | |
| 120 | V | C | -0.3456 | |
| 121 | L | C | -0.4346 | |
| 122 | A | C | 0.0000 | |
| 123 | Q | C | -1.5445 | |
| 124 | A | C | -0.8936 | |
| 125 | E | C | -1.5499 | |
| 126 | R | C | -2.6397 | |
| 127 | R | C | -2.1751 | |
| 128 | P | C | -1.8232 | |
| 129 | D | C | -2.2097 | |
| 130 | L | C | 0.0000 | |
| 131 | V | C | 0.0000 | |
| 132 | A | C | -1.1084 | |
| 133 | W | C | -0.8737 | |
| 134 | I | C | 0.0000 | |
| 135 | R | C | -1.3214 | |
| 136 | T | C | -1.0209 | |
| 137 | N | C | -1.2727 | |
| 138 | Y | C | 0.0000 | |
| 139 | L | C | -0.8047 | |
| 140 | A | C | -0.9636 | |
| 141 | Q | C | -1.3768 | |
| 142 | Q | C | 0.0000 | |
| 143 | D | C | -0.8746 | |
| 144 | A | C | -0.6960 | |
| 145 | A | C | -0.6502 | |
| 146 | I | C | 0.0000 | |
| 147 | A | C | -0.6082 | |
| 148 | E | C | -1.1144 | |
| 149 | L | C | 0.0000 | |
| 150 | L | C | -0.0326 | |
| 151 | A | C | -0.2519 | |
| 152 | H | C | -0.1900 | |
| 153 | R | C | -0.4237 | |
| 154 | A | C | -0.3080 | |
| 155 | A | C | -0.0430 | |
| 156 | L | C | 0.0000 | |
| 157 | R | C | -1.0147 | |
| 158 | A | C | -0.3906 | |
| 159 | A | C | -0.6752 | |
| 160 | G | C | -1.0550 | |
| 161 | A | C | 0.0000 | |
| 162 | P | C | 0.0000 | |
| 163 | E | C | -1.3662 | |
| 164 | D | C | -1.7339 | |
| 165 | P | C | -1.8199 | |
| 166 | R | C | -2.6428 | |
| 167 | A | C | -1.7125 | |
| 168 | E | C | 0.0000 | |
| 169 | R | C | -2.0107 | |
| 170 | A | C | -0.7877 | |
| 171 | Y | C | 0.0000 | |
| 172 | D | C | 0.0000 | |
| 173 | A | C | -0.0438 | |
| 174 | T | C | 0.4961 | |
| 175 | V | C | 1.5939 | |
| 176 | L | C | 0.7443 | |
| 177 | G | C | 0.0740 | |
| 1 | M | D | 1.0087 | |
| 2 | T | D | 0.3974 | |
| 3 | T | D | -0.1112 | |
| 4 | A | D | -0.4497 | |
| 5 | S | D | -1.1668 | |
| 6 | R | D | -1.9189 | |
| 7 | S | D | 0.0000 | |
| 8 | P | D | -0.7705 | |
| 9 | L | D | -0.4166 | |
| 10 | R | D | -1.3926 | |
| 11 | K | D | -2.0073 | |
| 12 | N | D | -2.0734 | |
| 13 | F | D | 0.0000 | |
| 14 | S | D | -0.9733 | |
| 15 | P | D | -0.7925 | |
| 16 | E | D | -0.8797 | |
| 17 | L | D | 0.0000 | |
| 18 | E | D | -0.8502 | |
| 19 | A | D | -0.9273 | |
| 20 | A | D | 0.0000 | |
| 21 | L | D | 0.0000 | |
| 22 | N | D | 0.0000 | |
| 23 | E | D | -1.3049 | |
| 24 | Q | D | 0.0000 | |
| 25 | A | D | 0.0000 | |
| 26 | L | D | 0.0000 | |
| 27 | L | D | -0.0226 | |
| 28 | E | D | 0.0000 | |
| 29 | L | D | 0.0000 | |
| 30 | T | D | -0.2899 | |
| 31 | A | D | 0.0000 | |
| 32 | S | D | 0.0000 | |
| 33 | N | D | 0.0000 | |
| 34 | T | D | 0.0000 | |
| 35 | Y | D | 0.0000 | |
| 36 | L | D | 0.0000 | |
| 37 | A | D | 0.0000 | |
| 38 | M | D | 0.0000 | |
| 39 | S | D | 0.0000 | |
| 40 | A | D | -0.2945 | |
| 41 | Y | D | -0.4921 | |
| 42 | F | D | 0.0000 | |
| 43 | A | D | -0.3599 | |
| 44 | R | D | 0.0000 | |
| 45 | P | D | -0.7125 | |
| 46 | E | D | -0.8510 | |
| 47 | V | D | -0.3300 | |
| 48 | A | D | -0.4138 | |
| 49 | L | D | 0.0000 | |
| 50 | P | D | -0.4800 | |
| 51 | N | D | -0.3397 | |
| 52 | A | D | 0.0000 | |
| 53 | A | D | 0.0000 | |
| 54 | A | D | -0.0589 | |
| 55 | Y | D | 0.0718 | |
| 56 | F | D | 0.0000 | |
| 57 | A | D | -0.2677 | |
| 58 | A | D | -0.3728 | |
| 59 | Q | D | -0.8099 | |
| 60 | S | D | 0.0000 | |
| 61 | A | D | -1.2019 | |
| 62 | E | D | -2.5118 | |
| 63 | E | D | 0.0000 | |
| 64 | L | D | -1.3928 | |
| 65 | E | D | -2.5712 | |
| 66 | H | D | -1.6568 | |
| 67 | A | D | 0.0000 | |
| 68 | K | D | -1.3357 | |
| 69 | A | D | -0.8093 | |
| 70 | I | D | 0.0000 | |
| 71 | M | D | 0.0000 | |
| 72 | A | D | -0.4524 | |
| 73 | L | D | -0.4911 | |
| 74 | I | D | 0.0000 | |
| 75 | N | D | 0.0000 | |
| 76 | E | D | -1.7864 | |
| 77 | L | D | -1.0882 | |
| 78 | G | D | 0.0000 | |
| 79 | G | D | 0.0000 | |
| 80 | H | D | -1.1373 | |
| 81 | I | D | -1.1285 | |
| 82 | D | D | -2.4014 | |
| 83 | W | D | -2.4157 | |
| 84 | R | D | -3.4043 | |
| 85 | D | D | -3.4285 | |
| 86 | I | D | 0.0000 | |
| 87 | P | D | -2.3004 | |
| 88 | A | D | -2.4707 | |
| 89 | P | D | 0.0000 | |
| 90 | E | D | -2.0763 | |
| 91 | L | D | -1.4549 | |
| 92 | Q | D | -1.9014 | |
| 93 | E | D | -2.1934 | |
| 94 | F | D | 0.0000 | |
| 95 | S | D | -0.6034 | |
| 96 | S | D | 0.0000 | |
| 97 | L | D | 0.0000 | |
| 98 | L | D | 0.0000 | |
| 99 | A | D | 0.0000 | |
| 100 | A | D | 0.0000 | |
| 101 | V | D | 0.0000 | |
| 102 | D | D | 0.0000 | |
| 103 | Y | D | 0.0000 | |
| 104 | A | D | 0.0000 | |
| 105 | L | D | 0.0000 | |
| 106 | A | D | 0.0000 | |
| 107 | I | D | 0.1809 | |
| 108 | E | D | 0.0000 | |
| 109 | F | D | 0.0000 | |
| 110 | R | D | -0.0670 | |
| 111 | T | D | 0.0000 | |
| 112 | T | D | 0.0000 | |
| 113 | A | D | 0.0000 | |
| 114 | Q | D | 0.0000 | |
| 115 | L | D | 0.0000 | |
| 116 | H | D | 0.0000 | |
| 117 | R | D | -0.3322 | |
| 118 | L | D | 0.0000 | |
| 119 | L | D | 0.0000 | |
| 120 | V | D | -0.3333 | |
| 121 | L | D | -0.4462 | |
| 122 | A | D | 0.0000 | |
| 123 | Q | D | -1.6785 | |
| 124 | A | D | -0.9375 | |
| 125 | E | D | -1.5196 | |
| 126 | R | D | -2.6682 | |
| 127 | R | D | -2.1849 | |
| 128 | P | D | -1.8694 | |
| 129 | D | D | -2.2325 | |
| 130 | L | D | 0.0000 | |
| 131 | V | D | 0.0000 | |
| 132 | A | D | -1.1849 | |
| 133 | W | D | -0.9324 | |
| 134 | I | D | 0.0000 | |
| 135 | R | D | -1.4561 | |
| 136 | T | D | -1.1363 | |
| 137 | N | D | -1.4449 | |
| 138 | Y | D | 0.0000 | |
| 139 | L | D | -0.8786 | |
| 140 | A | D | -1.0329 | |
| 141 | Q | D | -1.4424 | |
| 142 | Q | D | 0.0000 | |
| 143 | D | D | -0.8713 | |
| 144 | A | D | -0.6937 | |
| 145 | A | D | -0.6465 | |
| 146 | I | D | 0.0000 | |
| 147 | A | D | -0.5786 | |
| 148 | E | D | -1.0674 | |
| 149 | L | D | 0.0000 | |
| 150 | L | D | 0.0440 | |
| 151 | A | D | -0.1831 | |
| 152 | H | D | -0.1077 | |
| 153 | R | D | 0.0000 | |
| 154 | A | D | -0.2466 | |
| 155 | A | D | -0.0155 | |
| 156 | L | D | 0.0000 | |
| 157 | R | D | -1.0598 | |
| 158 | A | D | -0.4137 | |
| 159 | A | D | -0.6600 | |
| 160 | G | D | -1.0793 | |
| 161 | A | D | 0.0000 | |
| 162 | P | D | 0.0000 | |
| 163 | E | D | -1.2943 | |
| 164 | D | D | -1.7279 | |
| 165 | P | D | -1.8028 | |
| 166 | R | D | -2.6175 | |
| 167 | A | D | -1.7035 | |
| 168 | E | D | 0.0000 | |
| 169 | R | D | -1.9479 | |
| 170 | A | D | -0.7532 | |
| 171 | Y | D | 0.0000 | |
| 172 | D | D | 0.0000 | |
| 173 | A | D | -0.0256 | |
| 174 | T | D | 0.5066 | |
| 175 | V | D | 1.5950 | |
| 176 | L | D | 0.7485 | |
| 177 | G | D | 0.0782 | |
| 1 | M | E | 1.0088 | |
| 2 | T | E | 0.3248 | |
| 3 | T | E | -0.1072 | |
| 4 | A | E | -0.4442 | |
| 5 | S | E | -1.1630 | |
| 6 | R | E | -1.9851 | |
| 7 | S | E | 0.0000 | |
| 8 | P | E | -0.9074 | |
| 9 | L | E | -0.8188 | |
| 10 | R | E | -1.6807 | |
| 11 | K | E | -2.2713 | |
| 12 | N | E | -2.4217 | |
| 13 | F | E | 0.0000 | |
| 14 | S | E | -1.0767 | |
| 15 | P | E | -0.8555 | |
| 16 | E | E | -0.9598 | |
| 17 | L | E | 0.0000 | |
| 18 | E | E | -0.9203 | |
| 19 | A | E | -1.0050 | |
| 20 | A | E | 0.0000 | |
| 21 | L | E | 0.0000 | |
| 22 | N | E | -1.3249 | |
| 23 | E | E | -1.2998 | |
| 24 | Q | E | 0.0000 | |
| 25 | A | E | 0.0000 | |
| 26 | L | E | -0.8956 | |
| 27 | L | E | 0.0538 | |
| 28 | E | E | 0.0000 | |
| 29 | L | E | 0.0000 | |
| 30 | T | E | -0.2369 | |
| 31 | A | E | 0.0000 | |
| 32 | S | E | 0.0000 | |
| 33 | N | E | 0.0000 | |
| 34 | T | E | 0.0000 | |
| 35 | Y | E | 0.0000 | |
| 36 | L | E | 0.0000 | |
| 37 | A | E | 0.0000 | |
| 38 | M | E | 0.0000 | |
| 39 | S | E | 0.0000 | |
| 40 | A | E | -0.2872 | |
| 41 | Y | E | -0.4856 | |
| 42 | F | E | 0.0000 | |
| 43 | A | E | -0.3349 | |
| 44 | R | E | 0.0000 | |
| 45 | P | E | -0.5671 | |
| 46 | E | E | -0.6639 | |
| 47 | V | E | -0.2549 | |
| 48 | A | E | -0.3853 | |
| 49 | L | E | 0.0000 | |
| 50 | P | E | -0.4917 | |
| 51 | N | E | -0.3582 | |
| 52 | A | E | 0.0000 | |
| 53 | A | E | 0.0000 | |
| 54 | A | E | -0.0585 | |
| 55 | Y | E | 0.0728 | |
| 56 | F | E | 0.0000 | |
| 57 | A | E | -0.2251 | |
| 58 | A | E | -0.3157 | |
| 59 | Q | E | -0.7314 | |
| 60 | S | E | 0.0000 | |
| 61 | A | E | -1.0891 | |
| 62 | E | E | -2.2849 | |
| 63 | E | E | 0.0000 | |
| 64 | L | E | -1.3151 | |
| 65 | E | E | -2.5009 | |
| 66 | H | E | -1.6030 | |
| 67 | A | E | 0.0000 | |
| 68 | K | E | -1.3569 | |
| 69 | A | E | -0.8270 | |
| 70 | I | E | 0.0000 | |
| 71 | M | E | 0.0000 | |
| 72 | A | E | -0.4594 | |
| 73 | L | E | -0.5138 | |
| 74 | I | E | 0.0000 | |
| 75 | N | E | 0.0000 | |
| 76 | E | E | -1.7312 | |
| 77 | L | E | -1.1808 | |
| 78 | G | E | 0.0000 | |
| 79 | G | E | 0.0000 | |
| 80 | H | E | -1.1881 | |
| 81 | I | E | 0.0000 | |
| 82 | D | E | -2.5194 | |
| 83 | W | E | 0.0000 | |
| 84 | R | E | -3.4667 | |
| 85 | D | E | -3.4333 | |
| 86 | I | E | 0.0000 | |
| 87 | P | E | -2.2703 | |
| 88 | A | E | -2.3642 | |
| 89 | P | E | 0.0000 | |
| 90 | E | E | -2.0709 | |
| 91 | L | E | -1.4499 | |
| 92 | Q | E | -1.7879 | |
| 93 | E | E | -2.1922 | |
| 94 | F | E | 0.0000 | |
| 95 | S | E | -0.5741 | |
| 96 | S | E | 0.0000 | |
| 97 | L | E | 0.0000 | |
| 98 | L | E | 0.0000 | |
| 99 | A | E | 0.0000 | |
| 100 | A | E | 0.0000 | |
| 101 | V | E | 0.0000 | |
| 102 | D | E | 0.0000 | |
| 103 | Y | E | 0.0000 | |
| 104 | A | E | 0.0000 | |
| 105 | L | E | 0.0000 | |
| 106 | A | E | 0.0000 | |
| 107 | I | E | 0.1828 | |
| 108 | E | E | 0.0000 | |
| 109 | F | E | 0.0000 | |
| 110 | R | E | -0.0674 | |
| 111 | T | E | 0.0000 | |
| 112 | T | E | 0.0000 | |
| 113 | A | E | 0.0000 | |
| 114 | Q | E | 0.0000 | |
| 115 | L | E | 0.0000 | |
| 116 | H | E | 0.0000 | |
| 117 | R | E | -0.3011 | |
| 118 | L | E | 0.0000 | |
| 119 | L | E | 0.0000 | |
| 120 | V | E | -0.1862 | |
| 121 | L | E | -0.3192 | |
| 122 | A | E | 0.0000 | |
| 123 | Q | E | -1.2004 | |
| 124 | A | E | -0.7194 | |
| 125 | E | E | -1.4406 | |
| 126 | R | E | -2.5184 | |
| 127 | R | E | -2.0747 | |
| 128 | P | E | -1.7478 | |
| 129 | D | E | -2.1701 | |
| 130 | L | E | 0.0000 | |
| 131 | V | E | 0.0000 | |
| 132 | A | E | -1.1041 | |
| 133 | W | E | -0.9105 | |
| 134 | I | E | 0.0000 | |
| 135 | R | E | -1.3800 | |
| 136 | T | E | -1.0975 | |
| 137 | N | E | -1.4209 | |
| 138 | Y | E | 0.0000 | |
| 139 | L | E | -0.8435 | |
| 140 | A | E | -0.9985 | |
| 141 | Q | E | -1.3775 | |
| 142 | Q | E | 0.0000 | |
| 143 | D | E | -0.8867 | |
| 144 | A | E | -0.7367 | |
| 145 | A | E | -0.7117 | |
| 146 | I | E | 0.0000 | |
| 147 | A | E | -0.6729 | |
| 148 | E | E | -1.2635 | |
| 149 | L | E | 0.0000 | |
| 150 | L | E | -0.0284 | |
| 151 | A | E | -0.2505 | |
| 152 | H | E | -0.1314 | |
| 153 | R | E | 0.0000 | |
| 154 | A | E | -0.2355 | |
| 155 | A | E | 0.0167 | |
| 156 | L | E | 0.0000 | |
| 157 | R | E | -0.9480 | |
| 158 | A | E | -0.3706 | |
| 159 | A | E | -0.6118 | |
| 160 | G | E | -0.9972 | |
| 161 | A | E | 0.0000 | |
| 162 | P | E | -0.8604 | |
| 163 | E | E | -1.1559 | |
| 164 | D | E | -1.6528 | |
| 165 | P | E | -1.8009 | |
| 166 | R | E | -2.6538 | |
| 167 | A | E | -1.7184 | |
| 168 | E | E | 0.0000 | |
| 169 | R | E | -2.1109 | |
| 170 | A | E | -0.8324 | |
| 171 | Y | E | 0.0000 | |
| 172 | D | E | 0.0000 | |
| 173 | A | E | -0.0679 | |
| 174 | T | E | 0.4832 | |
| 175 | V | E | 1.5958 | |
| 176 | L | E | 0.7461 | |
| 177 | G | E | 0.0752 | |
| 1 | M | F | 1.0088 | |
| 2 | T | F | 0.3153 | |
| 3 | T | F | -0.1028 | |
| 4 | A | F | -0.4458 | |
| 5 | S | F | -1.1662 | |
| 6 | R | F | -1.9107 | |
| 7 | S | F | 0.0000 | |
| 8 | P | F | -0.6085 | |
| 9 | L | F | -0.1914 | |
| 10 | R | F | -1.4295 | |
| 11 | K | F | -2.1185 | |
| 12 | N | F | -2.3394 | |
| 13 | F | F | 0.0000 | |
| 14 | S | F | -1.0614 | |
| 15 | P | F | -0.8342 | |
| 16 | E | F | -0.9139 | |
| 17 | L | F | 0.0000 | |
| 18 | E | F | -0.7304 | |
| 19 | A | F | -0.7660 | |
| 20 | A | F | 0.0000 | |
| 21 | L | F | 0.0000 | |
| 22 | N | F | 0.0000 | |
| 23 | E | F | -0.9916 | |
| 24 | Q | F | 0.0000 | |
| 25 | A | F | 0.0000 | |
| 26 | L | F | -0.6801 | |
| 27 | L | F | 0.0979 | |
| 28 | E | F | 0.0000 | |
| 29 | L | F | 0.0000 | |
| 30 | T | F | -0.2426 | |
| 31 | A | F | 0.0000 | |
| 32 | S | F | 0.0000 | |
| 33 | N | F | 0.0000 | |
| 34 | T | F | 0.0000 | |
| 35 | Y | F | 0.0000 | |
| 36 | L | F | 0.0000 | |
| 37 | A | F | 0.0000 | |
| 38 | M | F | 0.0000 | |
| 39 | S | F | 0.0000 | |
| 40 | A | F | -0.3078 | |
| 41 | Y | F | -0.5154 | |
| 42 | F | F | 0.0000 | |
| 43 | A | F | -0.3605 | |
| 44 | R | F | 0.0000 | |
| 45 | P | F | -0.7629 | |
| 46 | E | F | -0.9392 | |
| 47 | V | F | -0.3565 | |
| 48 | A | F | -0.4309 | |
| 49 | L | F | 0.0000 | |
| 50 | P | F | -0.4869 | |
| 51 | N | F | -0.3527 | |
| 52 | A | F | 0.0000 | |
| 53 | A | F | 0.0000 | |
| 54 | A | F | -0.0826 | |
| 55 | Y | F | 0.0296 | |
| 56 | F | F | 0.0000 | |
| 57 | A | F | -0.2543 | |
| 58 | A | F | -0.3499 | |
| 59 | Q | F | -0.7894 | |
| 60 | S | F | 0.0000 | |
| 61 | A | F | -1.0893 | |
| 62 | E | F | -2.1697 | |
| 63 | E | F | 0.0000 | |
| 64 | L | F | -1.3219 | |
| 65 | E | F | -2.4879 | |
| 66 | H | F | -1.5861 | |
| 67 | A | F | 0.0000 | |
| 68 | K | F | -1.3365 | |
| 69 | A | F | -0.8155 | |
| 70 | I | F | 0.0000 | |
| 71 | M | F | 0.0000 | |
| 72 | A | F | -0.4212 | |
| 73 | L | F | -0.4738 | |
| 74 | I | F | 0.0000 | |
| 75 | N | F | 0.0000 | |
| 76 | E | F | -1.6322 | |
| 77 | L | F | -1.0661 | |
| 78 | G | F | 0.0000 | |
| 79 | G | F | 0.0000 | |
| 80 | H | F | -0.8778 | |
| 81 | I | F | -0.6759 | |
| 82 | D | F | -1.5232 | |
| 83 | W | F | 0.0000 | |
| 84 | R | F | -3.2030 | |
| 85 | D | F | -3.4307 | |
| 86 | I | F | 0.0000 | |
| 87 | P | F | -2.2843 | |
| 88 | A | F | -2.4636 | |
| 89 | P | F | 0.0000 | |
| 90 | E | F | -2.0635 | |
| 91 | L | F | -1.4277 | |
| 92 | Q | F | -1.8769 | |
| 93 | E | F | -2.1698 | |
| 94 | F | F | 0.0000 | |
| 95 | S | F | -0.5313 | |
| 96 | S | F | 0.0000 | |
| 97 | L | F | 0.0000 | |
| 98 | L | F | 0.0000 | |
| 99 | A | F | 0.0000 | |
| 100 | A | F | 0.0000 | |
| 101 | V | F | 0.0000 | |
| 102 | D | F | 0.0000 | |
| 103 | Y | F | 0.0000 | |
| 104 | A | F | 0.0000 | |
| 105 | L | F | 0.0000 | |
| 106 | A | F | 0.0000 | |
| 107 | I | F | 0.1846 | |
| 108 | E | F | 0.0000 | |
| 109 | F | F | 0.0000 | |
| 110 | R | F | -0.0622 | |
| 111 | T | F | 0.0000 | |
| 112 | T | F | 0.0000 | |
| 113 | A | F | 0.0000 | |
| 114 | Q | F | 0.0000 | |
| 115 | L | F | 0.0000 | |
| 116 | H | F | 0.0000 | |
| 117 | R | F | -0.2762 | |
| 118 | L | F | 0.0000 | |
| 119 | L | F | 0.0000 | |
| 120 | V | F | -0.1697 | |
| 121 | L | F | -0.3344 | |
| 122 | A | F | 0.0000 | |
| 123 | Q | F | -1.2992 | |
| 124 | A | F | -0.7674 | |
| 125 | E | F | -1.4857 | |
| 126 | R | F | -2.5915 | |
| 127 | R | F | -2.1908 | |
| 128 | P | F | -1.8170 | |
| 129 | D | F | -2.2135 | |
| 130 | L | F | 0.0000 | |
| 131 | V | F | 0.0000 | |
| 132 | A | F | -1.1346 | |
| 133 | W | F | -0.9222 | |
| 134 | I | F | 0.0000 | |
| 135 | R | F | -1.4021 | |
| 136 | T | F | -1.1213 | |
| 137 | N | F | -1.4535 | |
| 138 | Y | F | 0.0000 | |
| 139 | L | F | 0.0000 | |
| 140 | A | F | -1.0879 | |
| 141 | Q | F | -1.2827 | |
| 142 | Q | F | 0.0000 | |
| 143 | D | F | -0.9557 | |
| 144 | A | F | -0.7042 | |
| 145 | A | F | -0.6431 | |
| 146 | I | F | 0.0000 | |
| 147 | A | F | -0.5341 | |
| 148 | E | F | -0.9563 | |
| 149 | L | F | 0.0000 | |
| 150 | L | F | 0.0856 | |
| 151 | A | F | -0.1376 | |
| 152 | H | F | -0.0738 | |
| 153 | R | F | 0.0000 | |
| 154 | A | F | -0.2399 | |
| 155 | A | F | -0.0216 | |
| 156 | L | F | 0.0000 | |
| 157 | R | F | -1.1200 | |
| 158 | A | F | -0.4254 | |
| 159 | A | F | -0.6970 | |
| 160 | G | F | -1.1601 | |
| 161 | A | F | 0.0000 | |
| 162 | P | F | -1.1211 | |
| 163 | E | F | -1.6013 | |
| 164 | D | F | -1.8539 | |
| 165 | P | F | -1.8796 | |
| 166 | R | F | -2.6670 | |
| 167 | A | F | -1.7566 | |
| 168 | E | F | 0.0000 | |
| 169 | R | F | -1.9960 | |
| 170 | A | F | -0.7744 | |
| 171 | Y | F | 0.0000 | |
| 172 | D | F | 0.0000 | |
| 173 | A | F | -0.0357 | |
| 174 | T | F | 0.5036 | |
| 175 | V | F | 1.6046 | |
| 176 | L | F | 0.7472 | |
| 177 | G | F | 0.0759 | |
| 1 | M | G | 1.0087 | |
| 2 | T | G | 0.3989 | |
| 3 | T | G | -0.1104 | |
| 4 | A | G | -0.4476 | |
| 5 | S | G | -1.1648 | |
| 6 | R | G | -1.9744 | |
| 7 | S | G | 0.0000 | |
| 8 | P | G | -0.8602 | |
| 9 | L | G | -0.7168 | |
| 10 | R | G | -1.6568 | |
| 11 | K | G | -2.2553 | |
| 12 | N | G | -2.4314 | |
| 13 | F | G | 0.0000 | |
| 14 | S | G | -1.0662 | |
| 15 | P | G | -0.8357 | |
| 16 | E | G | -0.9012 | |
| 17 | L | G | 0.0000 | |
| 18 | E | G | -0.8808 | |
| 19 | A | G | -0.9522 | |
| 20 | A | G | 0.0000 | |
| 21 | L | G | 0.0000 | |
| 22 | N | G | 0.0000 | |
| 23 | E | G | -1.1321 | |
| 24 | Q | G | 0.0000 | |
| 25 | A | G | 0.0000 | |
| 26 | L | G | 0.0000 | |
| 27 | L | G | -0.0103 | |
| 28 | E | G | 0.0000 | |
| 29 | L | G | 0.0000 | |
| 30 | T | G | -0.2908 | |
| 31 | A | G | 0.0000 | |
| 32 | S | G | 0.0000 | |
| 33 | N | G | 0.0000 | |
| 34 | T | G | 0.0000 | |
| 35 | Y | G | 0.0000 | |
| 36 | L | G | 0.0000 | |
| 37 | A | G | 0.0000 | |
| 38 | M | G | 0.0000 | |
| 39 | S | G | 0.0000 | |
| 40 | A | G | -0.3129 | |
| 41 | Y | G | -0.6261 | |
| 42 | F | G | 0.0000 | |
| 43 | A | G | -0.4907 | |
| 44 | R | G | 0.0000 | |
| 45 | P | G | -1.1797 | |
| 46 | E | G | -1.7740 | |
| 47 | V | G | -0.7409 | |
| 48 | A | G | -0.6783 | |
| 49 | L | G | 0.0000 | |
| 50 | P | G | -0.4915 | |
| 51 | N | G | -0.3569 | |
| 52 | A | G | 0.0000 | |
| 53 | A | G | 0.0000 | |
| 54 | A | G | -0.0595 | |
| 55 | Y | G | 0.0728 | |
| 56 | F | G | 0.0000 | |
| 57 | A | G | -0.1423 | |
| 58 | A | G | -0.1582 | |
| 59 | Q | G | -0.5237 | |
| 60 | S | G | 0.0000 | |
| 61 | A | G | -0.8006 | |
| 62 | E | G | -1.6108 | |
| 63 | E | G | 0.0000 | |
| 64 | L | G | -1.0928 | |
| 65 | E | G | -2.2397 | |
| 66 | H | G | 0.0000 | |
| 67 | A | G | 0.0000 | |
| 68 | K | G | -1.2080 | |
| 69 | A | G | -0.7667 | |
| 70 | I | G | 0.0000 | |
| 71 | M | G | 0.0000 | |
| 72 | A | G | -0.4467 | |
| 73 | L | G | -0.5089 | |
| 74 | I | G | 0.0000 | |
| 75 | N | G | 0.0000 | |
| 76 | E | G | -1.7201 | |
| 77 | L | G | -1.1714 | |
| 78 | G | G | 0.0000 | |
| 79 | G | G | 0.0000 | |
| 80 | H | G | -1.1740 | |
| 81 | I | G | 0.0000 | |
| 82 | D | G | -2.5121 | |
| 83 | W | G | 0.0000 | |
| 84 | R | G | -3.3949 | |
| 85 | D | G | -3.4559 | |
| 86 | I | G | 0.0000 | |
| 87 | P | G | -2.3094 | |
| 88 | A | G | -2.3728 | |
| 89 | P | G | 0.0000 | |
| 90 | E | G | -2.0649 | |
| 91 | L | G | -1.4304 | |
| 92 | Q | G | -1.7817 | |
| 93 | E | G | -2.1735 | |
| 94 | F | G | 0.0000 | |
| 95 | S | G | -0.5152 | |
| 96 | S | G | 0.0000 | |
| 97 | L | G | 0.0000 | |
| 98 | L | G | 0.0000 | |
| 99 | A | G | 0.0000 | |
| 100 | A | G | 0.0000 | |
| 101 | V | G | 0.0000 | |
| 102 | D | G | 0.0000 | |
| 103 | Y | G | 0.0000 | |
| 104 | A | G | 0.0000 | |
| 105 | L | G | 0.0000 | |
| 106 | A | G | 0.0000 | |
| 107 | I | G | 0.1808 | |
| 108 | E | G | 0.0000 | |
| 109 | F | G | 0.0000 | |
| 110 | R | G | -0.0655 | |
| 111 | T | G | 0.0000 | |
| 112 | T | G | 0.0000 | |
| 113 | A | G | 0.0000 | |
| 114 | Q | G | 0.0000 | |
| 115 | L | G | 0.0000 | |
| 116 | H | G | 0.0000 | |
| 117 | R | G | -0.3381 | |
| 118 | L | G | 0.0000 | |
| 119 | L | G | 0.0000 | |
| 120 | V | G | -0.3263 | |
| 121 | L | G | -0.4168 | |
| 122 | A | G | 0.0000 | |
| 123 | Q | G | -1.4951 | |
| 124 | A | G | -0.8637 | |
| 125 | E | G | -1.5271 | |
| 126 | R | G | -2.6414 | |
| 127 | R | G | -2.2313 | |
| 128 | P | G | -1.8450 | |
| 129 | D | G | -2.2273 | |
| 130 | L | G | 0.0000 | |
| 131 | V | G | 0.0000 | |
| 132 | A | G | -1.1233 | |
| 133 | W | G | -0.8971 | |
| 134 | I | G | 0.0000 | |
| 135 | R | G | -1.3087 | |
| 136 | T | G | -1.0580 | |
| 137 | N | G | -1.3819 | |
| 138 | Y | G | 0.0000 | |
| 139 | L | G | -0.7889 | |
| 140 | A | G | -0.9344 | |
| 141 | Q | G | -1.1144 | |
| 142 | Q | G | 0.0000 | |
| 143 | D | G | -0.8256 | |
| 144 | A | G | -0.6553 | |
| 145 | A | G | -0.6242 | |
| 146 | I | G | 0.0000 | |
| 147 | A | G | -0.6057 | |
| 148 | E | G | -1.1383 | |
| 149 | L | G | 0.0000 | |
| 150 | L | G | -0.0466 | |
| 151 | A | G | -0.2633 | |
| 152 | H | G | -0.1962 | |
| 153 | R | G | -0.4289 | |
| 154 | A | G | -0.3098 | |
| 155 | A | G | -0.0413 | |
| 156 | L | G | 0.0000 | |
| 157 | R | G | -0.9879 | |
| 158 | A | G | -0.3889 | |
| 159 | A | G | -0.6318 | |
| 160 | G | G | -1.0135 | |
| 161 | A | G | 0.0000 | |
| 162 | P | G | 0.0000 | |
| 163 | E | G | -1.1805 | |
| 164 | D | G | -1.6610 | |
| 165 | P | G | -1.7916 | |
| 166 | R | G | -2.6327 | |
| 167 | A | G | -1.6984 | |
| 168 | E | G | 0.0000 | |
| 169 | R | G | -2.0384 | |
| 170 | A | G | -0.7967 | |
| 171 | Y | G | 0.0000 | |
| 172 | D | G | 0.0000 | |
| 173 | A | G | -0.0495 | |
| 174 | T | G | 0.4963 | |
| 175 | V | G | 1.6020 | |
| 176 | L | G | 0.7470 | |
| 177 | G | G | 0.0782 | |
| 1 | M | H | 1.0088 | |
| 2 | T | H | 0.3189 | |
| 3 | T | H | -0.1081 | |
| 4 | A | H | -0.4489 | |
| 5 | S | H | -1.1664 | |
| 6 | R | H | -2.0069 | |
| 7 | S | H | 0.0000 | |
| 8 | P | H | -1.0492 | |
| 9 | L | H | -0.9832 | |
| 10 | R | H | -1.7863 | |
| 11 | K | H | -2.3202 | |
| 12 | N | H | -2.4474 | |
| 13 | F | H | 0.0000 | |
| 14 | S | H | -1.0645 | |
| 15 | P | H | -0.8154 | |
| 16 | E | H | -0.8515 | |
| 17 | L | H | 0.0000 | |
| 18 | E | H | -0.7697 | |
| 19 | A | H | -0.7973 | |
| 20 | A | H | 0.0000 | |
| 21 | L | H | 0.0000 | |
| 22 | N | H | 0.0000 | |
| 23 | E | H | -0.8937 | |
| 24 | Q | H | 0.0000 | |
| 25 | A | H | 0.0000 | |
| 26 | L | H | -0.7230 | |
| 27 | L | H | 0.0956 | |
| 28 | E | H | 0.0000 | |
| 29 | L | H | 0.0000 | |
| 30 | T | H | -0.2389 | |
| 31 | A | H | 0.0000 | |
| 32 | S | H | 0.0000 | |
| 33 | N | H | 0.0000 | |
| 34 | T | H | 0.0000 | |
| 35 | Y | H | 0.0000 | |
| 36 | L | H | 0.0000 | |
| 37 | A | H | 0.0000 | |
| 38 | M | H | 0.0000 | |
| 39 | S | H | 0.0000 | |
| 40 | A | H | -0.2903 | |
| 41 | Y | H | -0.4845 | |
| 42 | F | H | 0.0000 | |
| 43 | A | H | -0.3601 | |
| 44 | R | H | 0.0000 | |
| 45 | P | H | -0.7299 | |
| 46 | E | H | -0.8855 | |
| 47 | V | H | -0.3273 | |
| 48 | A | H | -0.4071 | |
| 49 | L | H | 0.0000 | |
| 50 | P | H | -0.4784 | |
| 51 | N | H | -0.3437 | |
| 52 | A | H | 0.0000 | |
| 53 | A | H | 0.0000 | |
| 54 | A | H | -0.0625 | |
| 55 | Y | H | 0.0647 | |
| 56 | F | H | 0.0000 | |
| 57 | A | H | -0.1599 | |
| 58 | A | H | -0.1925 | |
| 59 | Q | H | -0.5722 | |
| 60 | S | H | 0.0000 | |
| 61 | A | H | -0.8583 | |
| 62 | E | H | -1.7909 | |
| 63 | E | H | 0.0000 | |
| 64 | L | H | -1.1354 | |
| 65 | E | H | -2.2853 | |
| 66 | H | H | 0.0000 | |
| 67 | A | H | 0.0000 | |
| 68 | K | H | -1.2336 | |
| 69 | A | H | -0.7652 | |
| 70 | I | H | 0.0000 | |
| 71 | M | H | 0.0000 | |
| 72 | A | H | -0.4510 | |
| 73 | L | H | -0.5142 | |
| 74 | I | H | 0.0000 | |
| 75 | N | H | 0.0000 | |
| 76 | E | H | -1.8452 | |
| 77 | L | H | -1.2254 | |
| 78 | G | H | 0.0000 | |
| 79 | G | H | 0.0000 | |
| 80 | H | H | -0.9855 | |
| 81 | I | H | 0.0000 | |
| 82 | D | H | -1.6580 | |
| 83 | W | H | 0.0000 | |
| 84 | R | H | -3.1570 | |
| 85 | D | H | -3.4340 | |
| 86 | I | H | 0.0000 | |
| 87 | P | H | -2.2789 | |
| 88 | A | H | -2.4617 | |
| 89 | P | H | 0.0000 | |
| 90 | E | H | -2.0494 | |
| 91 | L | H | -1.3949 | |
| 92 | Q | H | -1.8142 | |
| 93 | E | H | -2.0488 | |
| 94 | F | H | 0.0000 | |
| 95 | S | H | -0.5100 | |
| 96 | S | H | 0.0000 | |
| 97 | L | H | 0.0000 | |
| 98 | L | H | 0.0000 | |
| 99 | A | H | 0.0000 | |
| 100 | A | H | 0.0000 | |
| 101 | V | H | 0.0000 | |
| 102 | D | H | 0.0000 | |
| 103 | Y | H | 0.0000 | |
| 104 | A | H | 0.0000 | |
| 105 | L | H | 0.0000 | |
| 106 | A | H | 0.0000 | |
| 107 | I | H | 0.1813 | |
| 108 | E | H | 0.0000 | |
| 109 | F | H | 0.0000 | |
| 110 | R | H | -0.0651 | |
| 111 | T | H | 0.0000 | |
| 112 | T | H | 0.0000 | |
| 113 | A | H | 0.0000 | |
| 114 | Q | H | 0.0000 | |
| 115 | L | H | 0.0000 | |
| 116 | H | H | 0.0000 | |
| 117 | R | H | -0.3366 | |
| 118 | L | H | 0.0000 | |
| 119 | L | H | 0.0000 | |
| 120 | V | H | -0.3151 | |
| 121 | L | H | -0.4121 | |
| 122 | A | H | 0.0000 | |
| 123 | Q | H | -1.5253 | |
| 124 | A | H | -0.8737 | |
| 125 | E | H | -1.5336 | |
| 126 | R | H | -2.6339 | |
| 127 | R | H | -2.1705 | |
| 128 | P | H | -1.8225 | |
| 129 | D | H | -2.2075 | |
| 130 | L | H | 0.0000 | |
| 131 | V | H | 0.0000 | |
| 132 | A | H | -1.1320 | |
| 133 | W | H | -0.9001 | |
| 134 | I | H | 0.0000 | |
| 135 | R | H | -1.3538 | |
| 136 | T | H | -1.0593 | |
| 137 | N | H | -1.3428 | |
| 138 | Y | H | 0.0000 | |
| 139 | L | H | -0.7908 | |
| 140 | A | H | -0.9256 | |
| 141 | Q | H | -1.1940 | |
| 142 | Q | H | 0.0000 | |
| 143 | D | H | -0.7956 | |
| 144 | A | H | -0.6078 | |
| 145 | A | H | -0.5717 | |
| 146 | I | H | 0.0000 | |
| 147 | A | H | -0.5162 | |
| 148 | E | H | -0.9628 | |
| 149 | L | H | 0.0000 | |
| 150 | L | H | 0.0498 | |
| 151 | A | H | -0.1555 | |
| 152 | H | H | -0.0799 | |
| 153 | R | H | 0.0000 | |
| 154 | A | H | -0.2349 | |
| 155 | A | H | -0.0131 | |
| 156 | L | H | 0.0000 | |
| 157 | R | H | -1.0211 | |
| 158 | A | H | -0.4053 | |
| 159 | A | H | -0.6403 | |
| 160 | G | H | -1.0315 | |
| 161 | A | H | 0.0000 | |
| 162 | P | H | -0.8891 | |
| 163 | E | H | -1.1752 | |
| 164 | D | H | -1.6665 | |
| 165 | P | H | -1.7722 | |
| 166 | R | H | -2.6045 | |
| 167 | A | H | -1.6840 | |
| 168 | E | H | 0.0000 | |
| 169 | R | H | -1.9533 | |
| 170 | A | H | -0.7553 | |
| 171 | Y | H | 0.0000 | |
| 172 | D | H | 0.0000 | |
| 173 | A | H | -0.0273 | |
| 174 | T | H | 0.5024 | |
| 175 | V | H | 1.5857 | |
| 176 | L | H | 0.7388 | |
| 177 | G | H | 0.0720 |
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 | -0.1938 | 2.1373 | View | CSV | PDB |
| 4.5 | -0.2503 | 2.1373 | View | CSV | PDB |
| 5.0 | -0.3209 | 2.1373 | View | CSV | PDB |
| 5.5 | -0.3955 | 2.1373 | View | CSV | PDB |
| 6.0 | -0.4642 | 2.1373 | View | CSV | PDB |
| 6.5 | -0.5186 | 2.1373 | View | CSV | PDB |
| 7.0 | -0.5555 | 2.1373 | View | CSV | PDB |
| 7.5 | -0.5787 | 2.1373 | View | CSV | PDB |
| 8.0 | -0.5933 | 2.1373 | View | CSV | PDB |
| 8.5 | -0.6016 | 2.1373 | View | CSV | PDB |
| 9.0 | -0.6038 | 2.1372 | 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