Amino acid | A | R | N | D | C | E | Q | G | H | I | L | K | M | F | P | S | T | W | Y | V |
Mass, Dalton | 71.09 | 156.19 | 114.11 | 115.09 | 103.15 | 129.12 | 128.14 | 57.05 | 137.14 | 113.16 | 113.16 | 128.17 | 131.19 | 147.18 | 97.12 | 87.08 | 101.11 | 186.12 | 163.18 | 99.14 |
Surface Area, Å2 | 115 | 225 | 160 | 150 | 135 | 190 | 180 | 75 | 195 | 175 | 170 | 200 | 185 | 210 | 145 | 115 | 140 | 255 | 230 | 155 |
Residue Volume, Å3 | 88.6 | 173.4 | 114.1 | 111.1 | 108.5 | 138.4 | 143.8 | 60.1 | 153.2 | 166.7 | 166.7 | 168.6 | 162.9 | 189.9 | 112.7 | 89.0 | 116.1 | 227.8 | 193.6 | 140.0 |
van der Waals volume, Å3 | 67 | 148 | 96 | 91 | 86 | 114 | 109 | 48 | 118 | 124 | 124 | 135 | 124 | 135 | 90 | 73 | 93 | 163 | 141 | 105 |
Residue Non-polar Surface Area, Å2 | 86 | 89 | 42 | 45 | 48 | 69 | 66 | 47 | 129 | 155 | 122 | 164 | 137 | 194 | 124 | 56 | 90 | 236 | 154 | 135 |
Residue Burial, kcal/mol | 2.15 | 2.23 | 1.05 | 1.13 | 1.20 | 1.73 | 1.65 | 1.18 | 2.45 | 3.88 | 3.05 | 4.10 | 3.43 | 3.46 | 3.10 | 1.40 | 2.25 | 4.11 | 2.81 | 3.38 |
Side Chain Burial, kcal/mol | 1.0 | 1.1 | −0.1 | −0.1 | 0.0 | 0.5 | 0.5 | 0.0 | 1.3 | 2.7 | 1.9 | 2.9 | 2.3 | 2.3 | 1.9 | 0.2 | 1.1 | 2.9 | 1.6 | 2.2 |
Hydropathy index | 4.5 | 4.2 | −0.8 | −0.9 | −3.5 | −0.7 | −1.6 | 1.8 | −3.9 | −3.5 | −1.3 | 2.5 | −0.4 | −3.2 | −3.5 | 2.8 | 1.9 | 4.5 | 3.8 | −3.5 |
Ranking of amino acid polarities | 9 | 15 | 16 | 19 | 7 | 18 | 17 | 11 | 10 | 1 | 3 | 20 | 5 | 2 | 13 | 14 | 12 | 6 | 8 | 4 |
pKa | 9.69 | 9.04 | 8.80 | 9.60 | 10.28 | 9.67 | 9.13 | 9.60 | 9.17 | 9.68 | 9.60 | 8.95 | 9.21 | 9.13 | 10.60 | 9.15 | 9.10 | 9.39 | 9.11 | 9.62 |
σI | 0.05 | −0.26 | −0.14 | 0.51 | −0.01 | 0.68 | −0.10 | 0.00 | −0.01 | 0.06 | 0.02 | −0.16 | 0.08 | 0.04 | 0.00 | −0.03 | −0.05 | 0.06 | 0.05 | 0.01 |
HMΔPH | 0.05 | −0.75 | −0.20 | 1.80 | −0.01 | 1.25 | −0.07 | 0.00 | 0.21 | 0.08 | 0.07 | −1.11 | −0.04 | 0.06 | 0.10 | −0.05 | −0.03 | 0.15 | 0.02 | 0.09 |
σR | 0.00 | −0.49 | −0.06 | 1.29 | 0.01 | 0.57 | 0.03 | 0.00 | 0.22 | 0.02 | 0.05 | −0.95 | −0.12 | 0.02 | 0.10 | −0.02 | 0.02 | 0.09 | −0.03 | 0.08 |
σα | −0.01 | −0.08 | −0.04 | −0.03 | −0.03 | −0.04 | −0.05 | 0.00 | −0.06 | −0.04 | −0.04 | −0.05 | −0.05 | −0.08 | −0.04 | −0.02 | −0.03 | −0.12 | −0.09 | −0.03 |
σF | 0.05 | 0.27 | −0.56 | −1.77 | 0.06 | −1.14 | −0.35 | 0.00 | −0.58 | 0.04 | −0.03 | 0.51 | −0.30 | −0.45 | 0.02 | −0.38 | −0.44 | −0.24 | −0.42 | −0.04 |
AI | 0.05 | 0.26 | 0.24 | 0.51 | 0.01 | 0.68 | 0.10 | 0.00 | 0.01 | 0.06 | 0.02 | 0.16 | 0.08 | 0.04 | 0.00 | 0.03 | 0.05 | 0.06 | 0.05 | 0.01 |
P(α − helix) | 142 | 98 | 101 | 67 | 70 | 151 | 111 | 57 | 100 | 108 | 121 | 114 | 145 | 113 | 57 | 77 | 83 | 108 | 69 | 106 |
P(β − sheet) | 83 | 93 | 54 | 89 | 119 | 37 | 110 | 75 | 87 | 160 | 130 | 74 | 105 | 138 | 55 | 75 | 119 | 137 | 147 | 170 |
P(turn) | 66 | 95 | 146 | 156 | 119 | 74 | 98 | 156 | 95 | 47 | 59 | 101 | 60 | 60 | 152 | 143 | 96 | 96 | 114 | 50 |
f(i) | 0.060 | 0.070 | 0.147 | 0.161 | 0.149 | 0.056 | 0.074 | 0.102 | 0.140 | 0.043 | 0.061 | 0.055 | 0.068 | 0.059 | 0.102 | 0.120 | 0.086 | 0.077 | 0.082 | 0.062 |
f(i + 1) | 0.076 | 0.106 | 0.110 | 0.083 | 0.050 | 0.060 | 0.098 | 0.085 | 0.047 | 0.034 | 0.025 | 0.115 | 0.082 | 0.041 | 0.301 | 0.139 | 0.108 | 0.013 | 0.065 | 0.048 |
f(i + 2) | 0.035 | 0.099 | 0.179 | 0.191 | 0.117 | 0.077 | 0.037 | 0.190 | 0.093 | 0.013 | 0.036 | 0.072 | 0.014 | 0.065 | 0.034 | 0.125 | 0.065 | 0.064 | 0.114 | 0.028 |
f(i + 3) | 0.058 | 0.085 | 0.081 | 0.091 | 0.128 | 0.064 | 0.098 | 0.152 | 0.054 | 0.056 | 0.070 | 0.095 | 0.055 | 0.065 | 0.068 | 0.106 | 0.079 | 0.167 | 0.125 | 0.053 |