| Chain sequence(s) |
A: DFGLDCDEHSTESRCCRYPLTVDFEAFGWDDWIIIAPKRRYKANYCSGECEFVFLQKYPHTHLVHQANPRGSAGPCCTPTKMSPINMLYFNGKEQIIYGKIPAMVVVDRCGCS
C: GNCWLRQAKNGRCQVLYKTELSKEECCSTGRLSTSWTEEDVNDNTLFKWMIFNGGAPNCIPCKETCENVDCGPGKKCRMNKKNKPRCVCAPDCSNITWKGPVCGLDGKTYRNECALLKARCKEQPELEVQYQGRCKKTCRDVFCPGSSTCVVDQTNNAYCVTCNRICPEQYLCGNDGVTYSSACHLRKATCLLGRSIGLAYEGKCIKAKSCEDIQCTGGKKCLWDFKVGRGRCSLCDELCPEPVCASDNATYASECAMKEAACSSGVLLEVKHSGSCN B: DFGLDCDEHSTESRCCRYPLTVDFEAFGWDDWIIIAPKRRYKANYCSGECEFVFLQKYPHTHLVHQANPRGSAGPCCTPTKMSPINMLYFNGKEQIIYGKIPAMVVVDRCGCS D: GNCWLRQAKNGRCQVLYKTELSKEECCSTGRLSTSWTEEDVNDNTLFKWMIFNGGAPNCIPCKETCENVDCGPGKKCRMNKPRCVCAPDCSNITWKGPVCGLDGKTYRNECALLKARCKEQPELEVQYQGRCKKTCRDVFCPGSSTCVVDQTNNAYCVTCNRICPEEQYLCGNDGVTYSSACHLRKATCLLGRSIGLAYEGKCIKAKSCEDIQCTGGKKCLWDFKVGRGRCSLCDELCPEPVCASDNATYASECAMKEAACSSGVLLEVKHSGSC input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:29:18)
[INFO] Main: Simulation completed successfully. (00:29:36)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | D | A | -1.6732 | |
| 2 | F | A | -0.7060 | |
| 3 | G | A | -0.9144 | |
| 4 | L | A | -1.1461 | |
| 5 | D | A | -2.4052 | |
| 6 | C | A | -2.1715 | |
| 7 | D | A | -2.9994 | |
| 8 | E | A | -3.2409 | |
| 9 | H | A | -2.4092 | |
| 10 | S | A | -1.8874 | |
| 11 | T | A | -1.0405 | |
| 12 | E | A | -1.5266 | |
| 13 | S | A | -1.1307 | |
| 14 | R | A | -1.6332 | |
| 15 | C | A | 0.0000 | |
| 16 | C | A | 0.0000 | |
| 17 | R | A | -1.4403 | |
| 18 | Y | A | -1.6380 | |
| 19 | P | A | -1.3206 | |
| 20 | L | A | -0.8552 | |
| 21 | T | A | -1.0663 | |
| 22 | V | A | 0.0000 | |
| 23 | D | A | -1.9025 | |
| 24 | F | A | 0.0000 | |
| 25 | E | A | -2.7512 | |
| 26 | A | A | -1.3427 | |
| 27 | F | A | -0.9668 | |
| 28 | G | A | -1.4035 | |
| 29 | W | A | 0.0000 | |
| 30 | D | A | -2.5295 | |
| 31 | W | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | A | A | -0.5032 | |
| 35 | P | A | -1.0067 | |
| 36 | K | A | -2.2747 | |
| 37 | R | A | -2.9032 | |
| 38 | Y | A | 0.0000 | |
| 39 | K | A | -1.8538 | |
| 40 | A | A | 0.0000 | |
| 41 | N | A | -0.8989 | |
| 42 | Y | A | 0.0000 | |
| 43 | C | A | -0.4785 | |
| 44 | S | A | -0.9837 | |
| 45 | G | A | -1.5918 | |
| 46 | E | A | -2.5236 | |
| 47 | C | A | -1.7971 | |
| 48 | E | A | -2.2076 | |
| 49 | F | A | -0.9009 | |
| 50 | V | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | Q | A | -0.9857 | |
| 54 | K | A | -1.4389 | |
| 55 | Y | A | -0.5336 | |
| 56 | P | A | -0.2375 | |
| 57 | H | A | 0.0000 | |
| 58 | T | A | 0.0000 | |
| 59 | H | A | -1.0343 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | -1.0806 | |
| 62 | H | A | -1.8855 | |
| 63 | Q | A | -1.9452 | |
| 64 | A | A | -1.6123 | |
| 65 | N | A | -2.4825 | |
| 66 | P | A | -1.9303 | |
| 67 | R | A | -2.5678 | |
| 68 | G | A | -1.6543 | |
| 69 | S | A | -1.3537 | |
| 70 | A | A | -0.8349 | |
| 71 | G | A | -1.2170 | |
| 72 | P | A | -0.8045 | |
| 73 | C | A | -0.5250 | |
| 74 | C | A | -0.4245 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | -0.6605 | |
| 77 | T | A | -0.9976 | |
| 78 | K | A | -1.4422 | |
| 79 | M | A | -0.8258 | |
| 80 | S | A | -0.7949 | |
| 81 | P | A | -0.8840 | |
| 82 | I | A | 0.0000 | |
| 83 | N | A | -1.0587 | |
| 84 | M | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | N | A | -0.5025 | |
| 89 | G | A | -0.4856 | |
| 90 | K | A | -0.6144 | |
| 91 | E | A | 0.0000 | |
| 92 | Q | A | -1.1678 | |
| 93 | I | A | 0.0000 | |
| 94 | I | A | -0.2013 | |
| 95 | Y | A | -0.5105 | |
| 96 | G | A | -1.0250 | |
| 97 | K | A | -1.9375 | |
| 98 | I | A | 0.0000 | |
| 99 | P | A | -0.9011 | |
| 100 | A | A | -0.7468 | |
| 101 | M | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | D | A | -1.3969 | |
| 105 | R | A | -1.5421 | |
| 106 | C | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | C | A | 0.0000 | |
| 109 | S | A | -0.3324 | |
| 1 | D | B | -1.7258 | |
| 2 | F | B | -0.8298 | |
| 3 | G | B | -1.0067 | |
| 4 | L | B | -1.2042 | |
| 5 | D | B | -2.4148 | |
| 6 | C | B | 0.0000 | |
| 7 | D | B | -2.8047 | |
| 8 | E | B | -3.0724 | |
| 9 | H | B | -2.3346 | |
| 10 | S | B | -1.8311 | |
| 11 | T | B | -0.9987 | |
| 12 | E | B | -1.2892 | |
| 13 | S | B | -1.3156 | |
| 14 | R | B | -1.5958 | |
| 15 | C | B | 0.0000 | |
| 16 | C | B | 0.0000 | |
| 17 | R | B | -1.4193 | |
| 18 | Y | B | -1.5447 | |
| 19 | P | B | -1.1762 | |
| 20 | L | B | -0.5059 | |
| 21 | T | B | -0.8775 | |
| 22 | V | B | 0.0000 | |
| 23 | D | B | -1.8184 | |
| 24 | F | B | 0.0000 | |
| 25 | E | B | -2.8476 | |
| 26 | A | B | -1.3627 | |
| 27 | F | B | -1.0001 | |
| 28 | G | B | -1.4925 | |
| 29 | W | B | 0.0000 | |
| 30 | D | B | -2.5198 | |
| 31 | W | B | 0.0000 | |
| 32 | I | B | 0.0000 | |
| 33 | I | B | 0.0000 | |
| 34 | A | B | -0.4043 | |
| 35 | P | B | -0.8771 | |
| 36 | K | B | -2.0724 | |
| 37 | R | B | -2.7009 | |
| 38 | Y | B | 0.0000 | |
| 39 | K | B | -1.3540 | |
| 40 | A | B | 0.0000 | |
| 41 | N | B | -0.7538 | |
| 42 | Y | B | 0.0000 | |
| 43 | C | B | -0.4838 | |
| 44 | S | B | -0.9934 | |
| 45 | G | B | -1.6390 | |
| 46 | E | B | -2.5402 | |
| 47 | C | B | -1.7669 | |
| 48 | E | B | -2.1845 | |
| 49 | F | B | -0.8175 | |
| 50 | V | B | 0.0000 | |
| 51 | F | B | 0.0000 | |
| 52 | L | B | 0.0000 | |
| 53 | Q | B | -0.9640 | |
| 54 | K | B | -1.5032 | |
| 55 | Y | B | -0.5963 | |
| 56 | P | B | 0.0000 | |
| 57 | H | B | 0.0000 | |
| 58 | T | B | 0.0000 | |
| 59 | H | B | -1.0103 | |
| 60 | L | B | 0.0000 | |
| 61 | V | B | 0.0000 | |
| 62 | H | B | -1.9746 | |
| 63 | Q | B | -2.0438 | |
| 64 | A | B | -1.6595 | |
| 65 | N | B | -2.5432 | |
| 66 | P | B | -1.9864 | |
| 67 | R | B | -2.5700 | |
| 68 | G | B | -1.6232 | |
| 69 | S | B | -1.3836 | |
| 70 | A | B | -0.8458 | |
| 71 | G | B | -1.2339 | |
| 72 | P | B | -0.7785 | |
| 73 | C | B | -0.5161 | |
| 74 | C | B | -0.4463 | |
| 75 | T | B | 0.0000 | |
| 76 | P | B | -0.7018 | |
| 77 | T | B | -1.1053 | |
| 78 | K | B | -1.6451 | |
| 79 | M | B | -0.9187 | |
| 80 | S | B | -1.0214 | |
| 81 | P | B | -0.7591 | |
| 82 | I | B | 0.0000 | |
| 83 | N | B | 0.0000 | |
| 84 | M | B | 0.0000 | |
| 85 | L | B | 0.0000 | |
| 86 | Y | B | 0.0000 | |
| 87 | F | B | 0.0000 | |
| 88 | N | B | -0.4336 | |
| 89 | G | B | -0.4321 | |
| 90 | K | B | -0.5122 | |
| 91 | E | B | 0.0000 | |
| 92 | Q | B | -1.1163 | |
| 93 | I | B | 0.0000 | |
| 94 | I | B | -0.1404 | |
| 95 | Y | B | -0.3353 | |
| 96 | G | B | -0.8757 | |
| 97 | K | B | -1.8067 | |
| 98 | I | B | 0.0000 | |
| 99 | P | B | -0.8202 | |
| 100 | A | B | 0.0000 | |
| 101 | M | B | 0.0000 | |
| 102 | V | B | 0.0000 | |
| 103 | V | B | 0.0000 | |
| 104 | D | B | -1.4786 | |
| 105 | R | B | -1.7084 | |
| 106 | C | B | 0.0000 | |
| 107 | G | B | 0.0000 | |
| 108 | C | B | 0.0000 | |
| 109 | S | B | -0.3181 | |
| 1 | G | C | -3.0017 | |
| 2 | N | C | 0.0000 | |
| 3 | C | C | 0.0000 | |
| 4 | W | C | 0.0000 | |
| 5 | L | C | 0.0000 | |
| 6 | R | C | -0.7519 | |
| 7 | Q | C | -0.8520 | |
| 8 | A | C | 0.0000 | |
| 9 | K | C | -1.9679 | |
| 10 | N | C | -1.3202 | |
| 11 | G | C | 0.0000 | |
| 12 | R | C | 0.0000 | |
| 13 | C | C | 0.0000 | |
| 14 | Q | C | -0.3906 | |
| 15 | V | C | -0.4417 | |
| 16 | L | C | 0.0000 | |
| 17 | Y | C | -0.1418 | |
| 18 | K | C | -0.8979 | |
| 19 | T | C | -1.2470 | |
| 20 | E | C | -2.8882 | |
| 21 | L | C | -2.2617 | |
| 22 | S | C | -2.2496 | |
| 23 | K | C | -2.5919 | |
| 24 | E | C | -3.0558 | |
| 25 | E | C | -3.1432 | |
| 26 | C | C | 0.0000 | |
| 27 | C | C | -1.3229 | |
| 28 | S | C | -1.6085 | |
| 29 | T | C | -1.1351 | |
| 30 | G | C | -1.4547 | |
| 31 | R | C | -1.1083 | |
| 32 | L | C | -1.3178 | |
| 33 | S | C | -0.8513 | |
| 34 | T | C | 0.0000 | |
| 35 | S | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | T | C | 0.0000 | |
| 38 | E | C | -3.5028 | |
| 39 | E | C | -3.9355 | |
| 40 | D | C | -3.6718 | |
| 41 | V | C | -2.2622 | |
| 42 | N | C | -2.4136 | |
| 43 | D | C | -2.3342 | |
| 44 | N | C | -1.6554 | |
| 45 | T | C | -1.1492 | |
| 46 | L | C | 0.0000 | |
| 47 | F | C | 0.0000 | |
| 48 | K | C | -0.6410 | |
| 49 | W | C | -0.0159 | |
| 50 | M | C | -0.0114 | |
| 51 | I | C | 0.0377 | |
| 52 | F | C | 0.0000 | |
| 53 | N | C | -0.2162 | |
| 54 | G | C | -0.5066 | |
| 55 | G | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | P | C | -0.8659 | |
| 58 | N | C | -1.2305 | |
| 59 | C | C | 0.0000 | |
| 60 | I | C | -0.1088 | |
| 61 | P | C | -0.3533 | |
| 62 | C | C | -0.7724 | |
| 63 | K | C | 0.0000 | |
| 64 | E | C | -2.2882 | |
| 65 | T | C | -2.1338 | |
| 66 | C | C | -2.3163 | |
| 67 | E | C | -2.8100 | |
| 68 | N | C | -2.7080 | |
| 69 | V | C | -2.5438 | |
| 70 | D | C | -2.7119 | |
| 71 | C | C | -1.8464 | |
| 72 | G | C | -1.4981 | |
| 73 | P | C | -1.4579 | |
| 74 | G | C | -1.6631 | |
| 75 | K | C | -2.6514 | |
| 76 | K | C | -2.7604 | |
| 77 | C | C | -2.4559 | |
| 78 | R | C | -2.6856 | |
| 79 | M | C | -2.0315 | |
| 80 | N | C | -2.4723 | |
| 81 | K | C | -2.8333 | |
| 82 | K | C | -2.3070 | |
| 83 | N | C | -2.9742 | |
| 84 | K | C | -2.4763 | |
| 85 | P | C | 0.0000 | |
| 86 | R | C | -1.9339 | |
| 87 | C | C | -1.4170 | |
| 88 | V | C | -1.1033 | |
| 89 | C | C | -1.2944 | |
| 90 | A | C | -1.3851 | |
| 91 | P | C | -1.5028 | |
| 92 | D | C | -2.2212 | |
| 93 | C | C | -1.1804 | |
| 94 | S | C | -1.2261 | |
| 95 | N | C | -1.4659 | |
| 96 | I | C | -0.9087 | |
| 97 | T | C | -0.5453 | |
| 98 | W | C | -0.8787 | |
| 99 | K | C | -2.0863 | |
| 100 | G | C | -2.0003 | |
| 101 | P | C | -2.2993 | |
| 102 | V | C | 0.0000 | |
| 103 | C | C | 0.0000 | |
| 104 | G | C | 0.0000 | |
| 105 | L | C | -0.6914 | |
| 106 | D | C | -1.1762 | |
| 107 | G | C | -1.3237 | |
| 108 | K | C | -2.3339 | |
| 109 | T | C | -2.2819 | |
| 110 | Y | C | 0.0000 | |
| 111 | R | C | -2.9039 | |
| 112 | N | C | -2.3171 | |
| 113 | E | C | -1.5725 | |
| 114 | C | C | -1.1054 | |
| 115 | A | C | -0.9893 | |
| 116 | L | C | 0.0000 | |
| 117 | L | C | -1.1752 | |
| 118 | K | C | -1.7166 | |
| 119 | A | C | 0.0000 | |
| 120 | R | C | -2.1485 | |
| 121 | C | C | -1.7540 | |
| 122 | K | C | -2.8429 | |
| 123 | E | C | -3.0288 | |
| 124 | Q | C | -2.1474 | |
| 125 | P | C | -1.6853 | |
| 126 | E | C | -1.5032 | |
| 127 | L | C | 0.0000 | |
| 128 | E | C | -1.8034 | |
| 129 | V | C | -1.0417 | |
| 130 | Q | C | 0.0000 | |
| 131 | Y | C | 0.0000 | |
| 132 | Q | C | -1.6074 | |
| 133 | G | C | -2.1156 | |
| 134 | R | C | -3.1892 | |
| 135 | C | C | -2.3103 | |
| 136 | K | C | -3.0294 | |
| 137 | K | C | -2.9775 | |
| 138 | T | C | -2.3264 | |
| 139 | C | C | -1.7300 | |
| 140 | R | C | -2.6943 | |
| 141 | D | C | -2.1086 | |
| 142 | V | C | -0.7652 | |
| 143 | F | C | 1.0753 | |
| 144 | C | C | 0.4855 | |
| 145 | P | C | -0.1583 | |
| 146 | G | C | -0.4402 | |
| 147 | S | C | -0.3057 | |
| 148 | S | C | -0.0558 | |
| 149 | T | C | 0.7138 | |
| 150 | C | C | 0.3092 | |
| 151 | V | C | 0.0000 | |
| 152 | V | C | -1.2271 | |
| 153 | D | C | 0.0000 | |
| 154 | Q | C | -1.7846 | |
| 155 | T | C | -1.3900 | |
| 156 | N | C | -2.3776 | |
| 157 | N | C | -1.8298 | |
| 158 | A | C | 0.0000 | |
| 159 | Y | C | 0.0000 | |
| 160 | C | C | 0.4482 | |
| 161 | V | C | 0.0000 | |
| 162 | T | C | -0.5088 | |
| 163 | C | C | -0.5013 | |
| 164 | N | C | -1.4788 | |
| 165 | R | C | -1.1839 | |
| 166 | I | C | 0.5140 | |
| 167 | C | C | -0.2486 | |
| 168 | P | C | -0.6285 | |
| 169 | E | C | -1.6902 | |
| 175 | Q | C | -1.1517 | |
| 176 | Y | C | -0.4397 | |
| 177 | L | C | -0.5518 | |
| 178 | C | C | 0.0000 | |
| 179 | G | C | 0.0000 | |
| 180 | N | C | -0.3375 | |
| 181 | D | C | -0.4389 | |
| 182 | G | C | -0.2277 | |
| 183 | V | C | 0.6642 | |
| 184 | T | C | 0.0934 | |
| 185 | Y | C | 0.0000 | |
| 186 | S | C | -0.5144 | |
| 187 | S | C | -0.6485 | |
| 188 | A | C | -0.5446 | |
| 189 | C | C | -0.7268 | |
| 190 | H | C | -0.7934 | |
| 191 | L | C | 0.0000 | |
| 192 | R | C | 0.0000 | |
| 193 | K | C | -0.3640 | |
| 194 | A | C | 0.0960 | |
| 195 | T | C | 0.0000 | |
| 196 | C | C | 0.0000 | |
| 197 | L | C | 1.5227 | |
| 198 | L | C | 1.6039 | |
| 199 | G | C | 0.3884 | |
| 200 | R | C | -1.4454 | |
| 201 | S | C | -0.9636 | |
| 202 | I | C | -0.2945 | |
| 203 | G | C | 0.0000 | |
| 204 | L | C | -0.3990 | |
| 205 | A | C | 0.0000 | |
| 206 | Y | C | -0.8031 | |
| 207 | E | C | -1.5475 | |
| 208 | G | C | -1.0533 | |
| 209 | K | C | -1.3477 | |
| 210 | C | C | -0.2165 | |
| 211 | I | C | 0.2975 | |
| 212 | K | C | -1.6503 | |
| 213 | A | C | -1.7876 | |
| 214 | K | C | -2.5473 | |
| 215 | S | C | -1.8065 | |
| 216 | C | C | -1.7182 | |
| 217 | E | C | -2.5710 | |
| 218 | D | C | -2.0958 | |
| 219 | I | C | -1.5437 | |
| 220 | Q | C | -1.8358 | |
| 221 | C | C | -1.3868 | |
| 222 | T | C | -0.9254 | |
| 223 | G | C | -1.3954 | |
| 224 | G | C | -1.3847 | |
| 225 | K | C | -1.1170 | |
| 226 | K | C | -1.2549 | |
| 227 | C | C | -0.8532 | |
| 228 | L | C | 0.0000 | |
| 229 | W | C | 0.1298 | |
| 230 | D | C | 0.2391 | |
| 231 | F | C | 1.2202 | |
| 232 | K | C | -0.2742 | |
| 233 | V | C | 0.7000 | |
| 234 | G | C | -0.3704 | |
| 235 | R | C | -0.9964 | |
| 236 | G | C | 0.0000 | |
| 237 | R | C | -0.6230 | |
| 238 | C | C | 0.0000 | |
| 239 | S | C | -0.4141 | |
| 240 | L | C | -0.6929 | |
| 241 | C | C | -1.1750 | |
| 242 | D | C | -1.2545 | |
| 243 | E | C | -2.1128 | |
| 244 | L | C | -0.7173 | |
| 245 | C | C | -0.6643 | |
| 246 | P | C | -0.3750 | |
| 252 | E | C | -2.1288 | |
| 253 | P | C | -1.3768 | |
| 254 | V | C | 0.0000 | |
| 255 | C | C | 0.0000 | |
| 256 | A | C | 0.0000 | |
| 257 | S | C | -1.9595 | |
| 258 | D | C | -1.8144 | |
| 259 | N | C | -2.3902 | |
| 260 | A | C | -1.2162 | |
| 261 | T | C | -0.9470 | |
| 262 | Y | C | -0.7465 | |
| 263 | A | C | -0.6363 | |
| 264 | S | C | -1.4136 | |
| 265 | E | C | -2.0479 | |
| 266 | C | C | -1.4921 | |
| 267 | A | C | -1.2981 | |
| 268 | M | C | 0.0000 | |
| 269 | K | C | -2.9531 | |
| 270 | E | C | -2.8414 | |
| 271 | A | C | -1.4684 | |
| 272 | A | C | 0.0000 | |
| 273 | C | C | -1.1863 | |
| 274 | S | C | -1.0209 | |
| 275 | S | C | -0.5482 | |
| 276 | G | C | -0.2815 | |
| 277 | V | C | 0.2573 | |
| 278 | L | C | -0.4503 | |
| 279 | L | C | 0.0000 | |
| 280 | E | C | -2.5632 | |
| 281 | V | C | -1.7441 | |
| 282 | K | C | -2.4799 | |
| 283 | H | C | -1.7551 | |
| 284 | S | C | -1.2858 | |
| 285 | G | C | -1.1122 | |
| 286 | S | C | -1.0650 | |
| 287 | C | C | -1.3837 | |
| 288 | N | C | -1.4597 | |
| 1 | G | D | -3.0273 | |
| 2 | N | D | 0.0000 | |
| 3 | C | D | 0.0000 | |
| 4 | W | D | 0.0000 | |
| 5 | L | D | 0.0000 | |
| 6 | R | D | -0.7709 | |
| 7 | Q | D | -0.8588 | |
| 8 | A | D | -1.1626 | |
| 9 | K | D | -1.9599 | |
| 10 | N | D | -1.3712 | |
| 11 | G | D | 0.0000 | |
| 12 | R | D | -1.0107 | |
| 13 | C | D | 0.0000 | |
| 14 | Q | D | -0.3001 | |
| 15 | V | D | -0.3476 | |
| 16 | L | D | 0.0000 | |
| 17 | Y | D | -0.1024 | |
| 18 | K | D | -1.0129 | |
| 19 | T | D | -1.2995 | |
| 20 | E | D | -2.7908 | |
| 21 | L | D | -2.2682 | |
| 22 | S | D | -2.2855 | |
| 23 | K | D | -2.6717 | |
| 24 | E | D | -3.1014 | |
| 25 | E | D | -2.9888 | |
| 26 | C | D | 0.0000 | |
| 27 | C | D | -1.4243 | |
| 28 | S | D | -1.6983 | |
| 29 | T | D | -1.1783 | |
| 30 | G | D | -1.4638 | |
| 31 | R | D | -1.1395 | |
| 32 | L | D | -1.3126 | |
| 33 | S | D | -0.9973 | |
| 34 | T | D | 0.0000 | |
| 35 | S | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | T | D | 0.0000 | |
| 38 | E | D | -3.4729 | |
| 39 | E | D | -3.8957 | |
| 40 | D | D | -3.5844 | |
| 41 | V | D | -1.9584 | |
| 42 | N | D | -2.1637 | |
| 43 | D | D | -2.0759 | |
| 44 | N | D | -1.4689 | |
| 45 | T | D | -1.1862 | |
| 46 | L | D | 0.0000 | |
| 47 | F | D | 0.0000 | |
| 48 | K | D | -0.5445 | |
| 49 | W | D | 0.0224 | |
| 50 | M | D | 0.0522 | |
| 51 | I | D | 0.1458 | |
| 52 | F | D | 0.0000 | |
| 53 | N | D | -0.1902 | |
| 54 | G | D | -0.5919 | |
| 55 | G | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | P | D | -0.9961 | |
| 58 | N | D | -1.1781 | |
| 59 | C | D | -0.4701 | |
| 60 | I | D | -0.0549 | |
| 61 | P | D | -0.4803 | |
| 62 | C | D | -0.7818 | |
| 63 | K | D | 0.0000 | |
| 64 | E | D | -2.4794 | |
| 65 | T | D | -2.2593 | |
| 66 | C | D | -2.4636 | |
| 67 | E | D | -2.9962 | |
| 68 | N | D | -2.6759 | |
| 69 | V | D | -2.5586 | |
| 70 | D | D | -2.6139 | |
| 71 | C | D | -1.8763 | |
| 72 | G | D | -1.3307 | |
| 73 | P | D | -1.1241 | |
| 74 | G | D | -1.6032 | |
| 75 | K | D | -2.3040 | |
| 76 | K | D | -2.5902 | |
| 77 | C | D | -2.4351 | |
| 78 | R | D | -2.7611 | |
| 79 | M | D | -1.6719 | |
| 80 | N | D | -2.0835 | |
| 84 | K | D | -2.6542 | |
| 85 | P | D | 0.0000 | |
| 86 | R | D | -2.4705 | |
| 87 | C | D | -1.4712 | |
| 88 | V | D | -1.1185 | |
| 89 | C | D | -1.4632 | |
| 90 | A | D | -1.2336 | |
| 91 | P | D | -1.4996 | |
| 92 | D | D | -2.1558 | |
| 93 | C | D | -1.1894 | |
| 94 | S | D | -1.1500 | |
| 95 | N | D | -1.4160 | |
| 96 | I | D | -0.6985 | |
| 97 | T | D | -0.4570 | |
| 98 | W | D | -0.8761 | |
| 99 | K | D | -2.0532 | |
| 100 | G | D | -1.9647 | |
| 101 | P | D | -2.2589 | |
| 102 | V | D | 0.0000 | |
| 103 | C | D | 0.0000 | |
| 104 | G | D | 0.0000 | |
| 105 | L | D | -0.5876 | |
| 106 | D | D | -1.2353 | |
| 107 | G | D | -1.2890 | |
| 108 | K | D | -2.2517 | |
| 109 | T | D | -2.1430 | |
| 110 | Y | D | -1.8216 | |
| 111 | R | D | -2.7516 | |
| 112 | N | D | -2.0678 | |
| 113 | E | D | -1.4583 | |
| 114 | C | D | -1.1824 | |
| 115 | A | D | -0.9430 | |
| 116 | L | D | 0.0000 | |
| 117 | L | D | -1.3493 | |
| 118 | K | D | -2.0604 | |
| 119 | A | D | -2.1916 | |
| 120 | R | D | -2.5647 | |
| 121 | C | D | -2.0421 | |
| 122 | K | D | -3.0428 | |
| 123 | E | D | -3.1940 | |
| 124 | Q | D | -2.4369 | |
| 125 | P | D | -2.0171 | |
| 126 | E | D | -1.8537 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -1.8243 | |
| 129 | V | D | -0.9293 | |
| 130 | Q | D | 0.0000 | |
| 131 | Y | D | 0.0000 | |
| 132 | Q | D | -1.5671 | |
| 133 | G | D | -2.1164 | |
| 134 | R | D | -3.0726 | |
| 135 | C | D | -2.1875 | |
| 136 | K | D | -2.8394 | |
| 137 | K | D | -2.9193 | |
| 138 | T | D | -2.3347 | |
| 139 | C | D | -1.7455 | |
| 140 | R | D | -2.6573 | |
| 141 | D | D | -2.0794 | |
| 142 | V | D | -0.9079 | |
| 143 | F | D | 1.0853 | |
| 144 | C | D | 0.4829 | |
| 145 | P | D | -0.1542 | |
| 146 | G | D | -0.4723 | |
| 147 | S | D | -0.5227 | |
| 148 | S | D | -0.2023 | |
| 149 | T | D | 0.5958 | |
| 150 | C | D | 0.1767 | |
| 151 | V | D | 0.0000 | |
| 152 | V | D | -1.3266 | |
| 153 | D | D | 0.0000 | |
| 154 | Q | D | -1.8506 | |
| 155 | T | D | -1.4657 | |
| 156 | N | D | -2.4911 | |
| 157 | N | D | -1.8993 | |
| 158 | A | D | 0.0000 | |
| 159 | Y | D | 0.0000 | |
| 160 | C | D | 0.0000 | |
| 161 | V | D | 0.0000 | |
| 162 | T | D | -0.6897 | |
| 163 | C | D | 0.0000 | |
| 164 | N | D | -1.6532 | |
| 165 | R | D | -1.4245 | |
| 166 | I | D | 0.4697 | |
| 167 | C | D | -0.2894 | |
| 168 | P | D | -0.6514 | |
| 169 | E | D | -1.6929 | |
| 174 | E | D | -2.4725 | |
| 175 | Q | D | -2.4232 | |
| 176 | Y | D | -1.6679 | |
| 177 | L | D | 0.0000 | |
| 178 | C | D | 0.0000 | |
| 179 | G | D | 0.0000 | |
| 180 | N | D | -0.3589 | |
| 181 | D | D | -0.4284 | |
| 182 | G | D | -0.4231 | |
| 183 | V | D | 0.6594 | |
| 184 | T | D | -0.1349 | |
| 185 | Y | D | -0.2439 | |
| 186 | S | D | -1.0376 | |
| 187 | S | D | -1.1680 | |
| 188 | A | D | -0.5955 | |
| 189 | C | D | -0.7611 | |
| 190 | H | D | -0.6538 | |
| 191 | L | D | 0.0000 | |
| 192 | R | D | -0.7024 | |
| 193 | K | D | -0.5881 | |
| 194 | A | D | -0.0407 | |
| 195 | T | D | 0.0000 | |
| 196 | C | D | 0.0000 | |
| 197 | L | D | 1.0221 | |
| 198 | L | D | 1.4733 | |
| 199 | G | D | 0.2443 | |
| 200 | R | D | -1.5115 | |
| 201 | S | D | -0.8671 | |
| 202 | I | D | -0.3037 | |
| 203 | G | D | 0.0000 | |
| 204 | L | D | -0.4632 | |
| 205 | A | D | 0.0000 | |
| 206 | Y | D | 0.0000 | |
| 207 | E | D | -2.4892 | |
| 208 | G | D | -2.1175 | |
| 209 | K | D | -2.0511 | |
| 210 | C | D | -0.8027 | |
| 211 | I | D | -0.6633 | |
| 212 | K | D | -2.1603 | |
| 213 | A | D | -2.2855 | |
| 214 | K | D | -2.8226 | |
| 215 | S | D | -2.0202 | |
| 216 | C | D | -1.9960 | |
| 217 | E | D | -2.9416 | |
| 218 | D | D | -3.0050 | |
| 219 | I | D | -1.9759 | |
| 220 | Q | D | -2.2157 | |
| 221 | C | D | -1.7665 | |
| 222 | T | D | -1.2872 | |
| 223 | G | D | -1.8342 | |
| 224 | G | D | -1.4481 | |
| 225 | K | D | -1.5587 | |
| 226 | K | D | -1.4492 | |
| 227 | C | D | -1.0040 | |
| 228 | L | D | 0.0000 | |
| 229 | W | D | 0.1219 | |
| 230 | D | D | 0.2884 | |
| 231 | F | D | 1.2958 | |
| 232 | K | D | -0.1699 | |
| 233 | V | D | 0.9392 | |
| 234 | G | D | -0.2302 | |
| 235 | R | D | -1.1192 | |
| 236 | G | D | 0.0000 | |
| 237 | R | D | -0.7720 | |
| 238 | C | D | 0.0000 | |
| 239 | S | D | 0.0000 | |
| 240 | L | D | -0.7227 | |
| 241 | C | D | -1.0187 | |
| 242 | D | D | -1.0739 | |
| 243 | E | D | -1.5999 | |
| 244 | L | D | -0.9312 | |
| 245 | C | D | -0.8384 | |
| 246 | P | D | -0.7631 | |
| 252 | E | D | -2.1788 | |
| 253 | P | D | -1.3876 | |
| 254 | V | D | 0.0000 | |
| 255 | C | D | 0.0000 | |
| 256 | A | D | 0.0000 | |
| 257 | S | D | -2.3064 | |
| 258 | D | D | -1.9273 | |
| 259 | N | D | -2.0727 | |
| 260 | A | D | -0.9058 | |
| 261 | T | D | -0.6065 | |
| 262 | Y | D | -0.6213 | |
| 263 | A | D | -0.5810 | |
| 264 | S | D | -1.4724 | |
| 265 | E | D | -2.1758 | |
| 266 | C | D | -1.4847 | |
| 267 | A | D | -1.2654 | |
| 268 | M | D | 0.0000 | |
| 269 | K | D | -2.3141 | |
| 270 | E | D | -2.5157 | |
| 271 | A | D | -1.1327 | |
| 272 | A | D | 0.0000 | |
| 273 | C | D | -1.1425 | |
| 274 | S | D | -0.9047 | |
| 275 | S | D | -0.4682 | |
| 276 | G | D | -0.2702 | |
| 277 | V | D | 0.3559 | |
| 278 | L | D | -0.3464 | |
| 279 | L | D | 0.0000 | |
| 280 | E | D | -2.6381 | |
| 281 | V | D | -2.0428 | |
| 282 | K | D | -2.6561 | |
| 283 | H | D | -1.8946 | |
| 284 | S | D | -1.4701 | |
| 285 | G | D | -0.9441 | |
| 286 | S | D | -0.4718 | |
| 287 | C | D | -0.1025 |
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