| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | A | 29.4 | Very low | 30.2 | Very low | 157 Ų | 157 | 117.2 Ų | 117.2 | 100% | 1.298 | 88% | 0.877 | S | S | * | * | 0 | 143.1 | 0 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 2 | A | 27.3 | Very low | 30.1 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 74% | 0.744 | 88% | 0.881 | S | S | * | * | cis | -156.3 | 142.8 | -16.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 3 | A | 27.9 | Very low | 30 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 79% | 0.785 | 88% | 0.881 | S | S | * | * | 56.6 | 106.4 | 60 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 4 | A | 30 | Very low | 31.1 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 91% | 0.909 | 88% | 0.878 | S | S | * | * | trans | 70.4 | 103.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 5 | A | 34.5 | Very low | 31 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 85% | 0.853 | S | S | * | * | -155.4 | 120 | 129.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 6 | A | 30.8 | Very low | 30.9 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 81% | 0.81 | 85% | 0.848 | S | S | * | * | cis | 70.3 | 136.5 | 46.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 7 | A | 31.2 | Very low | 30.9 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 84% | 0.843 | 85% | 0.85 | S | S | * | * | cis | -176.1 | 128.6 | -27.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 8 | A | 28.9 | Very low | 31 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 89% | 0.893 | 85% | 0.845 | S | S | * | * | trans | -159 | 148.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 9 | A | 31.1 | Very low | 30.9 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | cis | -129 | -179.4 | 3.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 10 | R | 32.3 | Very low | 30.9 | Very low | 257 Ų | 257 | 123.4 Ų | 123.4 | 97% | 0.97 | 84% | 0.839 | S | S | * | * | trans | -117.3 | 150.2 | -169.3 | -99.8 | -179.1 | 160.7 | -159.8 | -2.5 | 113.8 | ||||
| 11 | G | 28.7 | Very low | 31 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 84% | 0.837 | S | S | * | * | trans | 131.2 | 135.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 12 | K | 29 | Very low | 31.1 | Very low | 213 Ų | 213 | 120.1 Ų | 120.1 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | cis | -145.2 | 160.5 | -2.6 | -69.8 | 177.4 | 179 | 173.7 | 0 | 110.1 | ||||
| 13 | W | 28.8 | Very low | 31.1 | Very low | 234 Ų | 234 | 119.8 Ų | 119.8 | 89% | 0.886 | 82% | 0.819 | S | S | * | * | trans | -128.1 | 159.5 | 164.6 | -134.5 | 15 | 0 | 0 | 0 | 107.5 | ||||
| 14 | P | 45.4 | Very low | 31.3 | Very low | 129 Ų | 129 | 118.8 Ų | 118.8 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | -137.7 | -179.9 | 64.9 | 33.5 | -13.3 | 0 | 0 | 0 | 113.9 | |||||
| 15 | G | 29.4 | Very low | 31.3 | Very low | 49 Ų | 49 | 124.9 Ų | 124.9 | 51% | 0.505 | 81% | 0.813 | S | S | . | * | cis | 167.2 | -161.4 | -4.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 16 | A | 29.8 | Very low | 31 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 66.8 | 123 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 17 | M | 30.2 | Very low | 30.9 | Very low | 180 Ų | 180 | 123.5 Ų | 123.5 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | 72.8 | 132.1 | 58.2 | -66.1 | 177 | 73.6 | 0 | 0 | 112.6 | |||||
| 18 | S | 32.7 | Very low | 30.8 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | cis | -164.7 | 140.9 | 7.2 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 19 | G | 29.7 | Very low | 30.8 | Very low | 77 Ų | 77 | 126 Ų | 126 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 60.8 | -177.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 20 | A | 31.5 | Very low | 30.7 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | cis | -179.9 | 134.7 | -36.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 21 | A | 31.7 | Very low | 30.6 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | 61.2 | 170.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 22 | S | 31.5 | Very low | 30.6 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | cis | -168.1 | 131.2 | -40.7 | -87.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 23 | G | 28.7 | Very low | 30.7 | Very low | 83 Ų | 83 | 117.8 Ų | 117.8 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 67.3 | -174.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 24 | A | 31.1 | Very low | 30.6 | Very low | 75 Ų | 75 | 112.4 Ų | 112.4 | 62% | 0.62 | 81% | 0.812 | S | S | * | * | cis | -169 | 162.2 | -24.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 25 | Y | 30.2 | Very low | 29.9 | Very low | 237 Ų | 237 | 111.2 Ų | 111.2 | 93% | 0.929 | 81% | 0.813 | S | S | * | * | trans | 65 | 158.2 | 177.8 | -44.2 | -83.5 | 0 | 0 | 0 | 115.4 | ||||
| 26 | G | 27.8 | Very low | 30.1 | Very low | 70 Ų | 70 | 114.4 Ų | 114.4 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | cis | 172.7 | 144 | -14.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 27 | A | 29.8 | Very low | 30.1 | Very low | 94 Ų | 94 | 116 Ų | 116 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | 70.1 | 128.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 28 | L | 29 | Very low | 30.1 | Very low | 183 Ų | 183 | 115.9 Ų | 115.9 | 96% | 0.958 | 83% | 0.832 | S | S | * | * | trans | 71.7 | 136 | 140.6 | -63.6 | 165.5 | 0 | 0 | 0 | 121.8 | ||||
| 29 | G | 28.9 | Very low | 29.8 | Very low | 81 Ų | 81 | 114.5 Ų | 114.5 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | 162 | 126.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 30 | A | 29.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 115.6 Ų | 115.6 | 94% | 0.942 | 84% | 0.837 | S | S | * | * | trans | -117 | 157 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 31 | G | 29.3 | Very low | 29.8 | Very low | 78 Ų | 78 | 116.7 Ų | 116.7 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -173.7 | 130.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 32 | N | 29.1 | Very low | 29.7 | Very low | 173 Ų | 173 | 119.9 Ų | 119.9 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | trans | -86.2 | 141.5 | 179.8 | -79 | -12.4 | 0 | 0 | 0 | 112.8 | ||||
| 33 | A | 30.4 | Very low | 29.6 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | trans | -166.4 | 147.8 | 137.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 34 | S | 27.6 | Very low | 29.8 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | trans | -118.4 | 129.3 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 35 | A | 30.9 | Very low | 29.8 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -146.1 | 152.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 36 | S | 32.6 | Very low | 29.8 | Very low | 115 Ų | 115 | 119 Ų | 119 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -73.2 | 158.5 | -168.7 | -60.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 37 | P | 31.1 | Very low | 30 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | trans | -83.5 | 141.4 | -160.9 | 32.3 | -36.3 | 0 | 0 | 0 | 115.1 | ||||
| 38 | L | 28.7 | Very low | 29.8 | Very low | 177 Ų | 177 | 121.9 Ų | 121.9 | 93% | 0.927 | 84% | 0.843 | S | S | * | * | trans | -141.4 | 142.9 | 168 | -80.1 | 170.2 | 0 | 0 | 0 | 109.9 | ||||
| 39 | G | 27.8 | Very low | 29.6 | Very low | 78 Ų | 78 | 122.4 Ų | 122.4 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | 86 | 90.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 40 | A | 31.8 | Very low | 29.4 | Very low | 101 Ų | 101 | 124 Ų | 124 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | -93.8 | 127.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I42 | A40-I42 PolarHBondContact O-N 2.71Š| ||
| 41 | P | 29.1 | Very low | 29.1 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 83% | 0.831 | S | S | * | * | trans | -84.7 | 111 | -176.9 | 31.3 | -33.1 | 0 | 0 | 0 | 113.3 | ||||
| 42 | I | 28.3 | Very low | 28.8 | Very low | 164 Ų | 164 | 129 Ų | 129 | 84% | 0.841 | 84% | 0.838 | S | S | * | * | trans | 31.7 | 106.3 | 139.8 | -46 | 175.1 | 0 | 0 | 0 | 117.5 | A40 | A40-I42 PolarHBondContact O-N 2.71Š| ||
| 43 | T | 31.1 | Very low | 28.6 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 80% | 0.798 | 84% | 0.837 | S | S | * | * | trans | -128.4 | 142.9 | 148.1 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 44 | P | 32.4 | Very low | 28.3 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 146.1 | -173.3 | 29.9 | -35.2 | 0 | 0 | 0 | 112.9 | ||
| 45 | P | 31.9 | Very low | 28.3 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 152 | -174.2 | 35.6 | -35.8 | 0 | 0 | 0 | 113.9 | ||
| 46 | P | 29.8 | Very low | 28.1 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 145.7 | 157.7 | 32.2 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 47 | S | 30.6 | Very low | 27.8 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 150.1 | -177.1 | 44.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 48 | A | 25.7 | Very low | 27.7 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 78% | 0.777 | 84% | 0.835 | S | S | * | * | trans | -124 | 141.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 49 | Q | 25.8 | Very low | 28.1 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -136.8 | 94.6 | 154.2 | -72.2 | -174.8 | -12.1 | 0 | 0 | 106.3 | ||||
| 50 | S | 24.3 | Very low | 28.3 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | 82.4 | 113.3 | 77.1 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 51 | C | 22.3 | Very low | 28.4 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -111.7 | 134 | -171.9 | -48.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 52 | L | 23.2 | Very low | 28.9 | Very low | 181 Ų | 181 | 129 Ų | 129 | 95% | 0.948 | 80% | 0.801 | S | S | * | * | trans | -132.2 | 134.6 | 156.3 | -82.8 | 178 | 0 | 0 | 0 | 110.4 | ||||
| 53 | L | 26.1 | Very low | 29.4 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -91.8 | 140.2 | -171.5 | -75.8 | 149.1 | 0 | 0 | 0 | 111.5 | ||||
| 54 | G | 23.7 | Very low | 29.6 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -129.7 | 90.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 55 | S | 27.2 | Very low | 29.9 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -64.7 | 136.3 | -170.3 | -54.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 56 | R | 27 | Very low | 30.4 | Very low | 246 Ų | 246 | 136.1 Ų | 136.1 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | -143.9 | 127.6 | 165.1 | -144.8 | 171 | -172.1 | 172.1 | 2.3 | 110.8 | ||||
| 57 | A | 26.6 | Very low | 31 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -80.9 | 148.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G59 | A57-G59 PolarHBondContact O-N 3.44Š| ||
| 58 | P | 28.8 | Very low | 31.4 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -76.3 | 118.3 | 175.6 | 30.8 | -33.3 | 0 | 0 | 0 | 111.1 | ||
| 59 | G | 35.9 | Very low | 32.1 | Very low | 62 Ų | 62 | 139.7 Ų | 139.7 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | trans | 177.3 | 5.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | A57 | A57-G59 PolarHBondContact O-N 3.44Š| ||
| 60 | A | 32.1 | Very low | 32.8 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -98 | -29 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S62 | A60-S62 PolarHBondContact O-N 3.17Š|
| 61 | E | 34.5 | Very low | 33.5 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -78.9 | -18.2 | -169 | -58.7 | -170.6 | 141 | 0 | 0 | 114.5 | ||
| 62 | S | 39.7 | Very low | 34.2 | Very low | 74 Ų | 74 | 141.6 Ų | 141.6 | 52% | 0.517 | 75% | 0.748 | S | S | . | * | H | α-helix | trans | -67.6 | -41.7 | -175.3 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | A60 Q64 Q66 | A60-S62 PolarHBondContact O-N 3.17Å; S62-Q64 PolarHBondContact O-N 3.21Å; S62-Q66 WeakPolarHBondContact O-CB 3.41Å; S62-Q66 PolarHBondContact O-N 3.29Å; S62-Q66 VanDerWaalsContact O-N 3.11Å |
| 63 | R | 38.2 | Very low | 34.9 | Very low | 202 Ų | 202 | 137.3 Ų | 137.3 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -66.8 | -36.6 | -177.6 | -69 | -172.9 | 179.5 | -174 | 0.4 | 113 | Q66 Q67 | R63-Q66 PolarHBondContact O-N 3.49Å; R63-Q67 PolarHBondContact O-N 2.68Å |
| 64 | Q | 36.8 | Very low | 35.5 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 71% | 0.71 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -73.6 | -36.3 | -177.2 | -162 | 166.1 | 0.9 | 0 | 0 | 111.9 | S62 Q68 | S62-Q64 PolarHBondContact O-N 3.21Å; Q64-Q68 PolarHBondContact O-N 2.98Å |
| 65 | R | 38.6 | Very low | 36.4 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -61.3 | -44 | 166.8 | -76.4 | -169.6 | 177.4 | -166.2 | 1.7 | 111.8 | Q67 Q68 Q69 | R65-Q67 PolarHBondContact O-N 3.45Å; R65-Q68 PolarHBondContact O-N 3.1Å; R65-Q69 WeakPolarHBondContact O-CB 3.49Å; R65-Q69 PolarHBondContact O-N 2.79Å |
| 66 | Q | 40.9 | Very low | 37.1 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 60% | 0.598 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -66.2 | -38.1 | -175.8 | -162.6 | 170.5 | 14.9 | 0 | 0 | 112.9 | S62 R63 Q70 | S62-Q66 WeakPolarHBondContact O-CB 3.41Å; S62-Q66 PolarHBondContact O-N 3.29Å; S62-Q66 VanDerWaalsContact O-N 3.11Å; R63-Q66 PolarHBondContact O-N 3.49Å; Q66-Q70 PolarHBondContact O-N 3.12Å |
| 67 | Q | 42.7 | Very low | 37.4 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -66.6 | -42.5 | 171.4 | -78.6 | -173.6 | -40.7 | 0 | 0 | 112.5 | R63 R65 Q69 Q70 | R63-Q67 PolarHBondContact O-N 2.68Å; R65-Q67 PolarHBondContact O-N 3.45Å; Q67-Q69 PolarHBondContact O-N 3.34Å; Q67-Q70 PolarHBondContact O-N 3.13Å |
| 68 | Q | 38.9 | Very low | 37.7 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -63.8 | -32.1 | 178.7 | -166.3 | 170.8 | 29.8 | 0 | 0 | 112.2 | Q64 R65 | Q64-Q68 PolarHBondContact O-N 2.98Å; R65-Q68 PolarHBondContact O-N 3.1Å |
| 69 | Q | 40.4 | Very low | 38.1 | Very low | 153 Ų | 153 | 127.5 Ų | 127.5 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -74.2 | -23.4 | 177.4 | -160.3 | 164.1 | 13.8 | 0 | 0 | 113.4 | R65 Q67 | R65-Q69 WeakPolarHBondContact O-CB 3.49Å; R65-Q69 PolarHBondContact O-N 2.79Å; Q67-Q69 PolarHBondContact O-N 3.34Å |
| 70 | Q | 41.9 | Very low | 38.2 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 71% | 0.71 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -78.6 | -22.2 | 174.6 | -77.4 | -175.7 | -35.7 | 0 | 0 | 113.9 | Q66 Q67 | Q66-Q70 PolarHBondContact O-N 3.12Å; Q67-Q70 PolarHBondContact O-N 3.13Å |
| 71 | Q | 38.7 | Very low | 38.4 | Very low | 168 Ų | 168 | 129.5 Ų | 129.5 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -6.7 | 178 | -75.9 | -174.2 | -26.3 | 0 | 0 | 114.8 | ||
| 72 | L | 37.1 | Very low | 38.3 | Very low | 143 Ų | 143 | 125 Ų | 125 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -2.6 | 176.6 | -79 | 163 | 0 | 0 | 0 | 114.1 | A74 | L72-A74 PolarHBondContact O-N 3.35Å; L72-A74 VanDerWaalsContact O-N 3.12Å |
| 73 | A | 36.4 | Very low | 38.1 | Very low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 18.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 74 | A | 40.3 | Very low | 37.9 | Very low | 87 Ų | 87 | 118.5 Ų | 118.5 | 72% | 0.719 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 6.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L72 | L72-A74 PolarHBondContact O-N 3.35Å; L72-A74 VanDerWaalsContact O-N 3.12Å |
| 75 | V | 41.2 | Very low | 37.7 | Very low | 126 Ų | 126 | 118.4 Ų | 118.4 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -138.2 | 119.2 | 166.6 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | L77 | V75-L77 PolarHBondContact O-N 3.21Š|
| 76 | G | 41.8 | Very low | 37.5 | Very low | 80 Ų | 80 | 112.2 Ų | 112.2 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | trans | -79.6 | 113.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 77 | L | 34.3 | Very low | 37.1 | Very low | 153 Ų | 153 | 109.1 Ų | 109.1 | 80% | 0.801 | 68% | 0.679 | S | S | * | * | trans | -138.8 | 149 | 166.6 | -80.4 | 172 | 0 | 0 | 0 | 110.2 | V75 | V75-L77 PolarHBondContact O-N 3.21Š| ||
| 78 | P | 32.8 | Very low | 36.8 | Very low | 98 Ų | 98 | 107.5 Ų | 107.5 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | trans | -73 | 142.4 | -170.9 | 28.3 | -34.8 | 0 | 0 | 0 | 113.7 | T80 | P78-T80 VanDerWaalsContact C-N 3.25Å; P78-T80 PolarHBondContact O-N 3.1Å; P78-T80 VanDerWaalsContact O-N 3.07Å | ||
| 79 | A | 37.5 | Very low | 36.4 | Very low | 91 Ų | 91 | 103.6 Ų | 103.6 | 75% | 0.752 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -4.8 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 80 | T | 37.5 | Very low | 36 | Very low | 124 Ų | 124 | 99.2 Ų | 99.2 | 76% | 0.761 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78.4 | -21.7 | -175.5 | 47.1 | 0 | 0 | 0 | 0 | 114.3 | P78 | P78-T80 VanDerWaalsContact C-N 3.25Å; P78-T80 PolarHBondContact O-N 3.1Å; P78-T80 VanDerWaalsContact O-N 3.07Å |
| 81 | A | 35.2 | Very low | 35.5 | Very low | 65 Ų | 65 | 95.4 Ų | 95.4 | 54% | 0.537 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -75.7 | -35 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A83 Q85 | A81-A83 PolarHBondContact O-N 3.35Å; A81-Q85 PolarHBondContact O-N 3.26Å |
| 82 | A | 34 | Very low | 35 | Very low | 68 Ų | 68 | 90.2 Ų | 90.2 | 56% | 0.562 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.8 | -36.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q85 A86 | A82-Q85 PolarHBondContact O-N 2.77Å; A82-A86 PolarHBondContact O-N 3.43Å |
| 83 | A | 35 | Very low | 34.7 | Very low | 74 Ų | 74 | 88.8 Ų | 88.8 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.5 | -42.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A81 Q85 A86 A87 | A81-A83 PolarHBondContact O-N 3.35Å; A83-Q85 VanDerWaalsContact C-N 3.32Å; A83-Q85 PolarHBondContact O-N 2.58Å; A83-A86 PolarHBondContact O-N 3.39Å; A83-A87 PolarHBondContact O-N 3.02Å |
| 84 | A | 33 | Very low | 34.4 | Very low | 64 Ų | 64 | 92.1 Ų | 92.1 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.5 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A87 V88 | A84-A87 PolarHBondContact O-N 3.4Å; A84-V88 PolarHBondContact O-N 3.03Å |
| 85 | Q | 33.7 | Very low | 34 | Very low | 151 Ų | 151 | 94.6 Ų | 94.6 | 71% | 0.706 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.2 | -31.9 | -177.7 | -150.3 | 162.4 | 7.5 | 0 | 0 | 112.4 | A81 A82 A83 A89 | A81-Q85 PolarHBondContact O-N 3.26Å; A82-Q85 PolarHBondContact O-N 2.77Å; A83-Q85 VanDerWaalsContact C-N 3.32Å; A83-Q85 PolarHBondContact O-N 2.58Å; Q85-A89 PolarHBondContact O-N 3.01Å |
| 86 | A | 34.1 | Very low | 33.5 | Very low | 65 Ų | 65 | 96.4 Ų | 96.4 | 54% | 0.537 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.5 | -39 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | A82 A83 A89 A90 | A82-A86 PolarHBondContact O-N 3.43Å; A83-A86 PolarHBondContact O-N 3.39Å; A86-A89 PolarHBondContact O-N 3.39Å; A86-A90 PolarHBondContact O-N 3.22Å; A86-A90 VanDerWaalsContact O-N 3.09Å |
| 87 | A | 32.8 | Very low | 32.7 | Very low | 63 Ų | 63 | 96 Ų | 96 | 52% | 0.521 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.3 | -39.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A83 A84 A89 A90 A91 | A83-A87 PolarHBondContact O-N 3.02Å; A84-A87 PolarHBondContact O-N 3.4Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 2.75Å; A87-A90 PolarHBondContact O-N 2.95Å; A87-A91 PolarHBondContact O-N 3.5Å; A87-A91 VanDerWaalsContact O-N 3.11Å |
| 88 | V | 35.3 | Very low | 32.3 | Very low | 104 Ų | 104 | 94.3 Ų | 94.3 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.3 | -39.4 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | A84 A91 A92 | A84-V88 PolarHBondContact O-N 3.03Å; V88-A91 PolarHBondContact O-N 2.72Å; V88-A92 PolarHBondContact O-N 3.48Å |
| 89 | A | 30.8 | Very low | 32 | Very low | 55 Ų | 55 | 97.2 Ų | 97.2 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -66.9 | -36.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q85 A86 A87 N93 | Q85-A89 PolarHBondContact O-N 3.01Å; A86-A89 PolarHBondContact O-N 3.39Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 2.75Å; A89-N93 PolarHBondContact O-N 3.34Å |
| 90 | A | 31.7 | Very low | 31.5 | Very low | 60 Ų | 60 | 98 Ų | 98 | 50% | 0.496 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A86 A87 A92 N93 | A86-A90 PolarHBondContact O-N 3.22Å; A86-A90 VanDerWaalsContact O-N 3.09Å; A87-A90 PolarHBondContact O-N 2.95Å; A90-A92 PolarHBondContact O-N 2.95Å; A90-N93 PolarHBondContact O-N 3.11Å |
| 91 | A | 31.3 | Very low | 31.1 | Very low | 72 Ų | 72 | 97 Ų | 97 | 60% | 0.595 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.7 | -39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A87 V88 | A87-A91 PolarHBondContact O-N 3.5Å; A87-A91 VanDerWaalsContact O-N 3.11Å; V88-A91 PolarHBondContact O-N 2.72Å |
| 92 | A | 29.7 | Very low | 30.7 | Very low | 59 Ų | 59 | 100.9 Ų | 100.9 | 49% | 0.488 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -65.1 | -39.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | V88 A90 N94 M95 | V88-A92 PolarHBondContact O-N 3.48Å; A90-A92 PolarHBondContact O-N 2.95Å; A92-N94 VanDerWaalsContact C-N 3.33Å; A92-N94 PolarHBondContact O-N 3.41Å; A92-M95 PolarHBondContact O-N 2.74Å |
| 93 | N | 29.9 | Very low | 30.4 | Very low | 114 Ų | 114 | 107.4 Ų | 107.4 | 61% | 0.61 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.5 | -23.8 | -176.6 | -77.7 | -7.2 | 0 | 0 | 0 | 114.1 | A89 A90 M95 | A89-N93 PolarHBondContact O-N 3.34Å; A90-N93 PolarHBondContact O-N 3.11Å; N93-M95 PolarHBondContact O-N 3.3Å |
| 94 | N | 30.3 | Very low | 29.9 | Very low | 161 Ų | 161 | 109.3 Ų | 109.3 | 86% | 0.861 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 1 | 174.4 | -90 | 6 | 0 | 0 | 0 | 113.7 | A92 | A92-N94 VanDerWaalsContact C-N 3.33Å; A92-N94 PolarHBondContact O-N 3.41Å |
| 95 | M | 31.9 | Very low | 29.7 | Very low | 140 Ų | 140 | 113.8 Ų | 113.8 | 69% | 0.69 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -3.6 | -178.2 | -151.1 | 173.9 | -170 | 0 | 0 | 114 | A92 N93 | A92-M95 PolarHBondContact O-N 2.74Å; N93-M95 PolarHBondContact O-N 3.3Å |
| 96 | F | 31.6 | Very low | 29.8 | Very low | 163 Ų | 163 | 111.9 Ų | 111.9 | 72% | 0.715 | 69% | 0.69 | S | S | * | * | trans | -131.4 | 115.6 | 177.3 | -84.1 | -89.3 | 0 | 0 | 0 | 111.5 | ||||
| 97 | G | 23.2 | Very low | 29.5 | Very low | 71 Ų | 71 | 117.4 Ų | 117.4 | 73% | 0.732 | 71% | 0.71 | S | S | * | * | trans | -74.3 | 141.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 98 | S | 27.5 | Very low | 29.2 | Very low | 119 Ų | 119 | 119 Ų | 119 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 70.1 | 100.4 | 169.2 | -59.7 | 0 | 0 | 0 | 0 | 118.4 | ||
| 99 | N | 26.4 | Very low | 29 | Very low | 159 Ų | 159 | 121.7 Ų | 121.7 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | trans | 23.9 | 116.7 | 145.9 | -62.6 | -26.1 | 0 | 0 | 0 | 118 | ||||
| 100 | S | 27.5 | Very low | 29 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | -179.7 | 155.9 | 72.2 | 42.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 101 | S | 27.2 | Very low | 29.1 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 50.6 | 97.4 | 160.1 | 45.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 102 | I | 27.6 | Very low | 29.3 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -77.6 | 123.4 | 159 | -60.3 | 166.7 | 0 | 0 | 0 | 109.6 | ||||
| 103 | F | 27.5 | Very low | 29.5 | Very low | 205 Ų | 205 | 128.3 Ų | 128.3 | 90% | 0.899 | 77% | 0.77 | S | S | * | * | trans | -154.4 | 127.5 | 147.2 | -103.7 | -72.4 | 0 | 0 | 0 | 109.4 | ||||
| 104 | S | 25.1 | Very low | 29.8 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -144.5 | 123.6 | 177.7 | -66.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 105 | N | 27.5 | Very low | 30.2 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -151 | 133.5 | 161.9 | -158.2 | 51.7 | 0 | 0 | 0 | 108.3 | ||||
| 106 | P | 36.1 | Very low | 30.6 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | trans | -91.1 | 149.5 | -166.9 | 34.7 | -35.2 | 0 | 0 | 0 | 113.8 | ||||
| 107 | L | 27.5 | Very low | 30.9 | Very low | 181 Ų | 181 | 115.9 Ų | 115.9 | 95% | 0.948 | 75% | 0.745 | S | S | * | * | trans | -135.6 | 144.5 | 153.6 | -92 | 169.6 | 0 | 0 | 0 | 108 | ||||
| 108 | A | 28.1 | Very low | 31.5 | Very low | 95 Ų | 95 | 115.4 Ų | 115.4 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -106.5 | 148 | -162.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 109 | I | 30.2 | Very low | 32.1 | Very low | 161 Ų | 161 | 112.9 Ų | 112.9 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | trans | -133.5 | 130.5 | 160.6 | -58.8 | -178.7 | 0 | 0 | 0 | 106.6 | ||||
| 110 | P | 30.3 | Very low | 32.8 | Very low | 126 Ų | 126 | 108.2 Ų | 108.2 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -82.5 | 152.9 | -173.1 | 33.1 | -35.6 | 0 | 0 | 0 | 113.1 | ||||
| 111 | G | 35.2 | Very low | 33.2 | Very low | 73 Ų | 73 | 105.9 Ų | 105.9 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 155.3 | -75.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 112 | T | 35.4 | Very low | 33.7 | Very low | 127 Ų | 127 | 103.9 Ų | 103.9 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -92.3 | -4.9 | -175 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | A114 | T112-A114 VanDerWaalsContact C-N 3.28Å; T112-A114 PolarHBondContact O-N 3.36Å; T112-A114 VanDerWaalsContact O-N 3.16Å |
| 113 | A | 33.7 | Very low | 34.3 | Very low | 59 Ų | 59 | 99.7 Ų | 99.7 | 49% | 0.488 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -59.4 | -30.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A117 | A113-A117 WeakPolarHBondContact O-CB 3.31Å; A113-A117 PolarHBondContact O-N 2.93Å |
| 114 | A | 35 | Very low | 34.9 | Very low | 78 Ų | 78 | 91.7 Ų | 91.7 | 65% | 0.645 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.2 | -46.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T112 A118 | T112-A114 VanDerWaalsContact C-N 3.28Å; T112-A114 PolarHBondContact O-N 3.36Å; T112-A114 VanDerWaalsContact O-N 3.16Å; A114-A118 WeakPolarHBondContact O-CB 3.44Å; A114-A118 PolarHBondContact O-N 3Å |
| 115 | V | 39.8 | Very low | 35.5 | Very low | 119 Ų | 119 | 88.6 Ų | 88.6 | 72% | 0.721 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.3 | -42.8 | -178.5 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | A118 A119 | V115-A118 PolarHBondContact O-N 3.41Å; V115-A119 PolarHBondContact O-N 3.01Å |
| 116 | A | 39.8 | Very low | 36.2 | Very low | 63 Ų | 63 | 86.3 Ų | 86.3 | 52% | 0.521 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.3 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A120 | A116-A120 WeakPolarHBondContact O-CB 3.45Å; A116-A120 PolarHBondContact O-N 3.26Å |
| 117 | A | 37.8 | Very low | 36.6 | Very low | 57 Ų | 57 | 84.8 Ų | 84.8 | 47% | 0.471 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.9 | -36.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A113 A121 | A113-A117 WeakPolarHBondContact O-CB 3.31Å; A113-A117 PolarHBondContact O-N 2.93Å; A117-A121 WeakPolarHBondContact O-CA 3.44Å; A117-A121 WeakPolarHBondContact O-CB 3.21Å; A117-A121 PolarHBondContact O-N 2.93Å |
| 118 | A | 36 | Very low | 37.4 | Very low | 62 Ų | 62 | 85.1 Ų | 85.1 | 51% | 0.512 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.5 | -47.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A114 V115 A121 A122 | A114-A118 WeakPolarHBondContact O-CB 3.44Å; A114-A118 PolarHBondContact O-N 3Å; V115-A118 PolarHBondContact O-N 3.41Å; A118-A121 PolarHBondContact O-N 3.45Å; A118-A122 WeakPolarHBondContact O-CB 3.5Å; A118-A122 PolarHBondContact O-N 3.45Å |
| 119 | A | 40.8 | Very low | 37.9 | Very low | 65 Ų | 65 | 86.8 Ų | 86.8 | 54% | 0.537 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.4 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V115 A121 A122 A123 | V115-A119 PolarHBondContact O-N 3.01Å; A119-A121 PolarHBondContact O-N 3.45Å; A119-A122 PolarHBondContact O-N 3.07Å; A119-A123 WeakPolarHBondContact O-CB 3.49Å; A119-A123 PolarHBondContact O-N 2.91Å |
| 120 | A | 40.8 | Very low | 38.8 | Very low | 61 Ų | 61 | 83.8 Ų | 83.8 | 50% | 0.504 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.8 | -35.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A116 A124 | A116-A120 WeakPolarHBondContact O-CB 3.45Å; A116-A120 PolarHBondContact O-N 3.26Å; A120-A124 WeakPolarHBondContact O-CB 3.48Å; A120-A124 PolarHBondContact O-N 3.23Å |
| 121 | A | 36 | Very low | 39.6 | Very low | 60 Ų | 60 | 80.4 Ų | 80.4 | 50% | 0.496 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.5 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A117 A118 A119 A124 A125 | A117-A121 WeakPolarHBondContact O-CA 3.44Å; A117-A121 WeakPolarHBondContact O-CB 3.21Å; A117-A121 PolarHBondContact O-N 2.93Å; A118-A121 PolarHBondContact O-N 3.45Å; A119-A121 PolarHBondContact O-N 3.45Å; A121-A124 PolarHBondContact O-N 3.01Å; A121-A125 WeakPolarHBondContact O-CB 3.29Å; A121-A125 PolarHBondContact O-N 3.17Å |
| 122 | A | 36.7 | Very low | 40 | Very low | 60 Ų | 60 | 79.6 Ų | 79.6 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A118 A119 A125 N126 | A118-A122 WeakPolarHBondContact O-CB 3.5Å; A118-A122 PolarHBondContact O-N 3.45Å; A119-A122 PolarHBondContact O-N 3.07Å; A122-A125 PolarHBondContact O-N 2.86Å; A122-N126 PolarHBondContact O-N 3.18Å |
| 123 | A | 40.4 | Very low | 40.5 | Very low | 58 Ų | 58 | 77.9 Ų | 77.9 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A119 S127 | A119-A123 WeakPolarHBondContact O-CB 3.49Å; A119-A123 PolarHBondContact O-N 2.91Å; A123-S127 VanDerWaalsContact O-CB 3.26Å; A123-S127 WeakPolarHBondContact O-CB 3.29Å; A123-S127 PolarHBondContact O-N 3.12Å; A123-S127 PolarHBondContact O-OG 2.89Å |
| 124 | A | 41 | Very low | 41 | Very low | 37 Ų | 37 | 77.9 Ų | 77.9 | 31% | 0.306 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.1 | -32.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A120 A121 R128 | A120-A124 WeakPolarHBondContact O-CB 3.48Å; A120-A124 PolarHBondContact O-N 3.23Å; A121-A124 PolarHBondContact O-N 3.01Å; A124-R128 WeakPolarHBondContact O-CB 3.31Å; A124-R128 WeakPolarHBondContact O-CD 3.45Å; A124-R128 WeakPolarHBondContact O-CG 3.31Å; A124-R128 PolarHBondContact O-N 3.23Å |
| 125 | A | 37.1 | Very low | 41.3 | Very low | 49 Ų | 49 | 76.9 Ų | 76.9 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.6 | -51.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A121 A122 S127 R128 Q129 | A121-A125 WeakPolarHBondContact O-CB 3.29Å; A121-A125 PolarHBondContact O-N 3.17Å; A122-A125 PolarHBondContact O-N 2.86Å; A125-S127 PolarHBondContact O-N 3.44Å; A125-R128 CarbonylContact O-C 3.06Å; A125-R128 PolarHBondContact O-N 2.89Å; A125-Q129 VanDerWaalsContact O-CB 3.31Å; A125-Q129 WeakPolarHBondContact O-CB 3.48Å; A125-Q129 PolarHBondContact O-N 3.37Å |
| 126 | N | 41.6 | Very low | 41.4 | Very low | 110 Ų | 110 | 73.8 Ų | 73.8 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.4 | -47.4 | 174.1 | -96.3 | -5.5 | 0 | 0 | 0 | 111.7 | A122 R128 Q129 V130 | A122-N126 PolarHBondContact O-N 3.18Å; N126-R128 VanDerWaalsContact C-N 3.32Å; N126-R128 PolarHBondContact O-N 2.97Å; N126-Q129 PolarHBondContact O-N 3.04Å; N126-Q129 VanDerWaalsContact O-N 3.13Å; N126-V130 WeakPolarHBondContact O-CG2 3.45Å; N126-V130 PolarHBondContact O-N 3.11Å |
| 127 | S | 45.9 | Very low | 41.8 | Very low | 79 Ų | 79 | 73.8 Ų | 73.8 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -40.2 | 176.3 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | A123 A125 A131 | A123-S127 VanDerWaalsContact O-CB 3.26Å; A123-S127 WeakPolarHBondContact O-CB 3.29Å; A123-S127 PolarHBondContact O-N 3.12Å; A123-S127 PolarHBondContact O-OG 2.89Å; A125-S127 PolarHBondContact O-N 3.44Å; S127-A131 WeakPolarHBondContact O-CB 3.17Å; S127-A131 PolarHBondContact O-N 3.03Å |
| 128 | R | 43.7 | Very low | 42.1 | Very low | 189 Ų | 189 | 74 Ų | 74 | 71% | 0.713 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.2 | -34.9 | 174.3 | -77.1 | 170.2 | -171.1 | -175.7 | 4.5 | 112.4 | A124 A125 N126 A132 | A124-R128 WeakPolarHBondContact O-CB 3.31Å; A124-R128 WeakPolarHBondContact O-CD 3.45Å; A124-R128 WeakPolarHBondContact O-CG 3.31Å; A124-R128 PolarHBondContact O-N 3.23Å; A125-R128 CarbonylContact O-C 3.06Å; A125-R128 PolarHBondContact O-N 2.89Å; N126-R128 VanDerWaalsContact C-N 3.32Å; N126-R128 PolarHBondContact O-N 2.97Å; R128-A132 WeakPolarHBondContact O-CA 3.23Å; R128-A132 WeakPolarHBondContact O-CB 3.5Å; R128-A132 PolarHBondContact O-N 2.88Å |
| 129 | Q | 39.3 | Very low | 42.4 | Very low | 130 Ų | 130 | 73.9 Ų | 73.9 | 61% | 0.607 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.8 | -41.5 | -179.1 | -167.8 | 165.3 | -8.1 | 0 | 0 | 111 | A125 N126 A132 T133 | A125-Q129 VanDerWaalsContact O-CB 3.31Å; A125-Q129 WeakPolarHBondContact O-CB 3.48Å; A125-Q129 PolarHBondContact O-N 3.37Å; N126-Q129 PolarHBondContact O-N 3.04Å; N126-Q129 VanDerWaalsContact O-N 3.13Å; Q129-A132 PolarHBondContact O-N 3.02Å; Q129-T133 WeakPolarHBondContact O-CG2 3.37Å; Q129-T133 PolarHBondContact O-N 3Å; Q129-T133 PolarHBondContact O-OG1 2.88Å |
| 130 | V | 49 | Very low | 42.8 | Very low | 98 Ų | 98 | 76.1 Ų | 76.1 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.9 | -41.8 | 170.7 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | N126 A132 T133 A134 | N126-V130 WeakPolarHBondContact O-CG2 3.45Å; N126-V130 PolarHBondContact O-N 3.11Å; V130-A132 VanDerWaalsContact C-N 3.31Å; V130-A132 PolarHBondContact O-N 3.14Å; V130-T133 PolarHBondContact O-OG1 3.17Å; V130-T133 VanDerWaalsContact O-OG1 3.1Å; V130-A134 VanDerWaalsContact O-CB 3.25Å; V130-A134 WeakPolarHBondContact O-CB 3.43Å; V130-A134 PolarHBondContact O-N 3.38Å |
| 131 | A | 47.5 | Very low | 43.2 | Very low | 54 Ų | 54 | 76.1 Ų | 76.1 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -33.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | S127 A135 | S127-A131 WeakPolarHBondContact O-CB 3.17Å; S127-A131 PolarHBondContact O-N 3.03Å; A131-A135 WeakPolarHBondContact O-CB 3.42Å; A131-A135 PolarHBondContact O-N 3.25Å |
| 132 | A | 42.5 | Very low | 43.4 | Very low | 56 Ų | 56 | 76.8 Ų | 76.8 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -74.9 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R128 Q129 V130 A136 | R128-A132 WeakPolarHBondContact O-CA 3.23Å; R128-A132 WeakPolarHBondContact O-CB 3.5Å; R128-A132 PolarHBondContact O-N 2.88Å; Q129-A132 PolarHBondContact O-N 3.02Å; V130-A132 VanDerWaalsContact C-N 3.31Å; V130-A132 PolarHBondContact O-N 3.14Å; A132-A136 WeakPolarHBondContact O-CB 3.46Å; A132-A136 PolarHBondContact O-N 3.39Å |
| 133 | T | 46.2 | Very low | 43.7 | Very low | 91 Ų | 91 | 77.8 Ų | 77.8 | 56% | 0.558 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69 | -40.9 | 172.4 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | Q129 V130 A136 A137 | Q129-T133 WeakPolarHBondContact O-CG2 3.37Å; Q129-T133 PolarHBondContact O-N 3Å; Q129-T133 PolarHBondContact O-OG1 2.88Å; V130-T133 PolarHBondContact O-OG1 3.17Å; V130-T133 VanDerWaalsContact O-OG1 3.1Å; T133-A136 PolarHBondContact O-N 3.06Å; T133-A137 WeakPolarHBondContact O-CB 3.28Å; T133-A137 PolarHBondContact O-N 2.88Å |
| 134 | A | 43.5 | Very low | 44 | Very low | 60 Ų | 60 | 78.5 Ų | 78.5 | 50% | 0.496 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | V130 A138 | V130-A134 VanDerWaalsContact O-CB 3.25Å; V130-A134 WeakPolarHBondContact O-CB 3.43Å; V130-A134 PolarHBondContact O-N 3.38Å; A134-A138 VanDerWaalsContact O-CB 3.3Å; A134-A138 WeakPolarHBondContact O-CB 3.46Å; A134-A138 PolarHBondContact O-N 2.67Å |
| 135 | A | 42.1 | Very low | 44.2 | Very low | 56 Ų | 56 | 80.2 Ų | 80.2 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.3 | -34.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A131 A138 A139 | A131-A135 WeakPolarHBondContact O-CB 3.42Å; A131-A135 PolarHBondContact O-N 3.25Å; A135-A138 PolarHBondContact O-N 2.99Å; A135-A139 WeakPolarHBondContact O-CB 3.5Å; A135-A139 PolarHBondContact O-N 3.34Å |
| 136 | A | 42.1 | Very low | 44.4 | Very low | 54 Ų | 54 | 80.3 Ų | 80.3 | 45% | 0.446 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.5 | -45.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | A132 T133 A138 A139 V140 | A132-A136 WeakPolarHBondContact O-CB 3.46Å; A132-A136 PolarHBondContact O-N 3.39Å; T133-A136 PolarHBondContact O-N 3.06Å; A136-A138 VanDerWaalsContact C-N 3.34Å; A136-A138 PolarHBondContact O-N 3.43Å; A136-A139 PolarHBondContact O-N 3.38Å; A136-V140 WeakPolarHBondContact O-CB 3.18Å; A136-V140 WeakPolarHBondContact O-CG2 3.46Å; A136-V140 PolarHBondContact O-N 3.17Å |
| 137 | A | 47.6 | Very low | 44.3 | Very low | 64 Ų | 64 | 82.3 Ų | 82.3 | 53% | 0.529 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.8 | -43.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | T133 A141 | T133-A137 WeakPolarHBondContact O-CB 3.28Å; T133-A137 PolarHBondContact O-N 2.88Å; A137-A141 WeakPolarHBondContact O-CB 3.46Å; A137-A141 PolarHBondContact O-N 3.46Å |
| 138 | A | 44.3 | Very low | 44.7 | Very low | 60 Ų | 60 | 82.5 Ų | 82.5 | 50% | 0.496 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.1 | -35.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A134 A135 A136 A141 A142 | A134-A138 VanDerWaalsContact O-CB 3.3Å; A134-A138 WeakPolarHBondContact O-CB 3.46Å; A134-A138 PolarHBondContact O-N 2.67Å; A135-A138 PolarHBondContact O-N 2.99Å; A136-A138 VanDerWaalsContact C-N 3.34Å; A136-A138 PolarHBondContact O-N 3.43Å; A138-A141 PolarHBondContact O-N 2.69Å; A138-A142 VanDerWaalsContact O-CB 3.29Å; A138-A142 WeakPolarHBondContact O-CB 3.27Å; A138-A142 PolarHBondContact O-N 3.36Å |
| 139 | A | 41.7 | Very low | 44.3 | Very low | 60 Ų | 60 | 76.9 Ų | 76.9 | 50% | 0.496 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71.9 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | A135 A136 A141 A142 A143 | A135-A139 WeakPolarHBondContact O-CB 3.5Å; A135-A139 PolarHBondContact O-N 3.34Å; A136-A139 PolarHBondContact O-N 3.38Å; A139-A141 VanDerWaalsContact C-N 3.33Å; A139-A142 PolarHBondContact O-N 3.37Å; A139-A143 WeakPolarHBondContact O-CB 3.32Å; A139-A143 PolarHBondContact O-N 3.4Å |
| 140 | V | 49.8 | Very low | 44.8 | Very low | 112 Ų | 112 | 75 Ų | 75 | 68% | 0.679 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.2 | -40.9 | 171.4 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | A136 A144 | A136-V140 WeakPolarHBondContact O-CB 3.18Å; A136-V140 WeakPolarHBondContact O-CG2 3.46Å; A136-V140 PolarHBondContact O-N 3.17Å; V140-A144 PolarHBondContact O-N 3.32Å |
| 141 | A | 48.5 | Very low | 44.5 | Very low | 62 Ų | 62 | 75.5 Ų | 75.5 | 51% | 0.512 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.3 | -39 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | A137 A138 A139 A144 | A137-A141 WeakPolarHBondContact O-CB 3.46Å; A137-A141 PolarHBondContact O-N 3.46Å; A138-A141 PolarHBondContact O-N 2.69Å; A139-A141 VanDerWaalsContact C-N 3.33Å; A141-A144 PolarHBondContact O-N 3.39Å |
| 142 | A | 41.8 | Very low | 44.6 | Very low | 73 Ų | 73 | 78.3 Ų | 78.3 | 60% | 0.603 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.1 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A138 A139 A144 G145 | A138-A142 VanDerWaalsContact O-CB 3.29Å; A138-A142 WeakPolarHBondContact O-CB 3.27Å; A138-A142 PolarHBondContact O-N 3.36Å; A139-A142 PolarHBondContact O-N 3.37Å; A142-A144 PolarHBondContact O-N 3.2Å; A142-G145 PolarHBondContact O-N 2.99Å |
| 143 | A | 41.8 | Very low | 45.3 | Very low | 82 Ų | 82 | 81.8 Ų | 81.8 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.1 | -27.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A139 G145 | A139-A143 WeakPolarHBondContact O-CB 3.32Å; A139-A143 PolarHBondContact O-N 3.4Å; A143-G145 PolarHBondContact O-N 3.14Å |
| 144 | A | 48 | Very low | 46.9 | Very low | 72 Ų | 72 | 81.2 Ų | 81.2 | 60% | 0.595 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -2.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | V140 A141 A142 | V140-A144 PolarHBondContact O-N 3.32Å; A141-A144 PolarHBondContact O-N 3.39Å; A142-A144 PolarHBondContact O-N 3.2Å |
| 145 | G | 44.6 | Very low | 49.2 | Very low | 74 Ų | 74 | 82.8 Ų | 82.8 | 76% | 0.763 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 5.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A142 A143 | A142-G145 PolarHBondContact O-N 2.99Å; A143-G145 PolarHBondContact O-N 3.14Å |
| 146 | G | 40.7 | Very low | 51.7 | Low | 51 Ų | 51 | 81.3 Ų | 81.3 | 53% | 0.526 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -128.3 | 121.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 147 | V | 40.3 | Very low | 54.3 | Low | 151 Ų | 151 | 88.3 Ų | 88.3 | 92% | 0.915 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 69.6 | 140.7 | 178.9 | -167.7 | 0 | 0 | 0 | 0 | 113.7 | G149 | V147-G149 PolarHBondContact O-N 3.42Å; V147-G149 VanDerWaalsContact O-N 3.09Å |
| 148 | G | 53 | Low | 56.6 | Low | 83 Ų | 83 | 86.8 Ų | 86.8 | 86% | 0.856 | 62% | 0.616 | S | S | * | * | trans | -67.3 | 105.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 149 | G | 36.1 | Very low | 59.1 | Low | 72 Ų | 72 | 84.1 Ų | 84.1 | 74% | 0.742 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 162 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V147 | V147-G149 PolarHBondContact O-N 3.42Å; V147-G149 VanDerWaalsContact O-N 3.09Å |
| 150 | A | 48.8 | Very low | 61.7 | Low | 89 Ų | 89 | 83.3 Ų | 83.3 | 74% | 0.736 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 156 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q152 | A150-Q152 PolarHBondContact O-N 3.36Š|
| 151 | P | 44.3 | Very low | 63.9 | Low | 110 Ų | 110 | 79.6 Ų | 79.6 | 71% | 0.714 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 131.4 | -178.3 | 21.5 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 152 | Q | 50 | Low | 66.1 | Low | 112 Ų | 112 | 78.1 Ų | 78.1 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 126.7 | 174.2 | -73.4 | -72.2 | -10.1 | 0 | 0 | 109.4 | A150 G154 | A150-Q152 PolarHBondContact O-N 3.36Å; Q152-G154 PolarHBondContact O-N 3.19Å |
| 153 | P | 55.9 | Low | 68.7 | Low | 130 Ų | 130 | 78.1 Ų | 78.1 | 84% | 0.844 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 103 | -174.6 | 27.1 | -34 | 0 | 0 | 0 | 110.5 | ||
| 154 | G | 79.4 | Confident | 71.2 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 80% | 0.804 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 145.3 | -21.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q152 | Q152-G154 PolarHBondContact O-N 3.19Š|
| 155 | R | 91.7 | Very high | 73.3 | Confident | 94 Ų | 94 | 83.2 Ų | 83.2 | 36% | 0.355 | 52% | 0.522 | S | S | . | . | trans | -88.3 | 147 | 175 | -63.5 | -165.4 | -164.3 | 95.9 | 16 | 112.3 | L159 E160 D185 | R155-L159 HydrophobicContact CB-CD2 4.4Å; R155-L159 HydrophobicContact CG-CD2 4.07Å; R155-E160 WeakPolarHBondContact CD-OE2 3.24Å; R155-E160 IonicContact CZ-OE2 2.93Å; R155-E160 IonicContact NE-OE2 2.97Å; R155-E160 IonicContact NH1-OE2 2.68Å; R155-E160 PolarHBondContact NH1-OE2 2.57Å; R155-D185 IonicContact NE-OD2 3.21Å | ||
| 156 | S | 96 | Very high | 75.5 | Confident | 24 Ų | 24 | 88.2 Ų | 88.2 | 17% | 0.168 | 52% | 0.518 | C | S | . | . | trans | -68.3 | 156.5 | 166.8 | 74 | 0 | 0 | 0 | 0 | 111.4 | L158 L159 E160 H178 E181 | S156-L158 VanDerWaalsContact C-N 3.25Å; S156-L158 PolarHBondContact O-N 3.34Å; S156-L159 PolarHBondContact O-N 2.98Å; S156-L159 PolarHBondContact OG-N 2.96Å; S156-E160 PolarHBondContact O-N 3.07Å; S156-E160 VanDerWaalsContact O-N 3.1Å; S156-H178 VanDerWaalsContact CB-CE1 3.42Å; S156-H178 WeakPolarHBondContact CB-CE1 3.27Å; S156-H178 PolarHBondContact OG-ND1 3.29Å; S156-E181 WeakPolarHBondContact CB-OE1 3.35Å; S156-E181 WeakPolarHBondContact CB-OE2 3.31Å; S156-E181 PolarHBondContact N-OE1 3.33Å; S156-E181 VanDerWaalsContact OG-CD 3.25Å; S156-E181 PolarHBondContact OG-OE1 2.95Å; S156-E181 VanDerWaalsContact OG-OE1 3.06Å; S156-E181 PolarHBondContact OG-OE2 3.38Å | ||
| 157 | R | 95.3 | Very high | 78 | Confident | 201 Ų | 201 | 90.7 Ų | 90.7 | 76% | 0.758 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.9 | -38.2 | 173 | -179.4 | 174.4 | 178.2 | 173.2 | 2.2 | 112 | E160 D161 | R157-E160 PolarHBondContact O-N 3.37Å; R157-D161 VanDerWaalsContact CG-OD2 3.23Å; R157-D161 WeakPolarHBondContact CG-OD2 3.32Å; R157-D161 IonicContact CZ-OD2 3.78Å; R157-D161 IonicContact NE-OD2 2.67Å; R157-D161 PolarHBondContact NE-OD2 3.48Å; R157-D161 IonicContact NH2-OD2 3.96Å; R157-D161 VanDerWaalsContact O-CB 3.29Å; R157-D161 WeakPolarHBondContact O-CB 3.05Å; R157-D161 PolarHBondContact O-N 2.8Å |
| 158 | L | 96.6 | Very high | 80.2 | Confident | 33 Ų | 33 | 88.7 Ų | 88.7 | 17% | 0.173 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | -179.7 | 179.4 | 61.7 | 0 | 0 | 0 | 111.5 | S156 F162 Y167 L175 H178 F182 | S156-L158 VanDerWaalsContact C-N 3.25Å; S156-L158 PolarHBondContact O-N 3.34Å; L158-F162 VanDerWaalsContact O-CB 3.26Å; L158-F162 WeakPolarHBondContact O-CB 3.32Å; L158-F162 PolarHBondContact O-N 3.15Å; L158-Y167 HydrophobicContact CD1-CD2 4.25Å; L158-Y167 HydrophobicContact CD1-CE2 3.92Å; L158-L175 HydrophobicContact CD2-CD2 4.24Å; L158-H178 HydrophobicContact CD2-CB 4.14Å; L158-F182 HydrophobicContact CD2-CE2 4.24Å; L158-F182 HydrophobicContact CD2-CZ 4.5Å; L158-F182 HydrophobicContact CG-CE2 4.03Å; L158-F182 HydrophobicContact CG-CZ 4.01Å |
| 159 | L | 96.1 | Very high | 82.1 | Confident | 4 Ų | 4 | 91.2 Ų | 91.2 | 2% | 0.021 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 177.7 | -179.8 | 58 | 0 | 0 | 0 | 111.9 | R155 S156 F162 R163 E181 F182 D185 | R155-L159 HydrophobicContact CB-CD2 4.4Å; R155-L159 HydrophobicContact CG-CD2 4.07Å; S156-L159 PolarHBondContact O-N 2.98Å; S156-L159 PolarHBondContact OG-N 2.96Å; L159-F162 HydrophobicContact CD1-CD1 4.32Å; L159-F162 PolarHBondContact O-N 2.89Å; L159-R163 HydrophobicContact CD1-CG 4.27Å; L159-R163 WeakPolarHBondContact O-CB 3.2Å; L159-R163 VanDerWaalsContact O-CG 3.23Å; L159-R163 WeakPolarHBondContact O-CG 3.16Å; L159-R163 PolarHBondContact O-N 3.37Å; L159-E181 WeakPolarHBondContact CB-OE1 3.39Å; L159-E181 HydrophobicContact CD2-CG 3.95Å; L159-E181 WeakPolarHBondContact CD2-OE1 3.32Å; L159-F182 HydrophobicContact CB-CD2 4.18Å; L159-F182 HydrophobicContact CB-CE2 3.61Å; L159-F182 HydrophobicContact CB-CZ 4.05Å; L159-F182 HydrophobicContact CD1-CD1 4.06Å; L159-F182 HydrophobicContact CD1-CD2 3.95Å; L159-F182 HydrophobicContact CD1-CE1 3.94Å; L159-F182 HydrophobicContact CD1-CE2 3.85Å; L159-F182 HydrophobicContact CD1-CG 4.05Å; L159-F182 HydrophobicContact CD1-CZ 3.84Å; L159-F182 HydrophobicContact CG-CE2 4.28Å; L159-D185 HydrophobicContact CD1-CB 3.91Å; L159-D185 HydrophobicContact CD2-CB 3.79Å; L159-D185 HydrophobicContact CG-CB 4.46Å |
| 160 | E | 96.3 | Very high | 85 | Confident | 42 Ų | 42 | 88.2 Ų | 88.2 | 20% | 0.196 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -71.9 | -41 | -179.7 | -161.1 | 58.8 | -119.2 | 0 | 0 | 112 | R155 S156 R157 F162 R163 N164 | R155-E160 WeakPolarHBondContact CD-OE2 3.24Å; R155-E160 IonicContact CZ-OE2 2.93Å; R155-E160 IonicContact NE-OE2 2.97Å; R155-E160 IonicContact NH1-OE2 2.68Å; R155-E160 PolarHBondContact NH1-OE2 2.57Å; S156-E160 PolarHBondContact O-N 3.07Å; S156-E160 VanDerWaalsContact O-N 3.1Å; R157-E160 PolarHBondContact O-N 3.37Å; E160-F162 VanDerWaalsContact C-N 3.33Å; E160-F162 PolarHBondContact O-N 3.16Å; E160-R163 PolarHBondContact O-N 2.96Å; E160-R163 IonicContact OE1-NE 2.66Å; E160-R163 IonicContact OE2-NE 3.05Å; E160-N164 WeakPolarHBondContact O-CB 3.04Å; E160-N164 PolarHBondContact O-N 3.22Å; E160-N164 PolarHBondContact O-ND2 2.63Å; E160-N164 PolarHBondContact OE1-ND2 2.82Å |
| 161 | D | 95.8 | Very high | 87.2 | Confident | 34 Ų | 34 | 86.8 Ų | 86.8 | 18% | 0.182 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 173 | -84 | -38.9 | 0 | 0 | 0 | 111.4 | R157 N164 Q165 R166 Y167 | R157-D161 VanDerWaalsContact CG-OD2 3.23Å; R157-D161 WeakPolarHBondContact CG-OD2 3.32Å; R157-D161 IonicContact CZ-OD2 3.78Å; R157-D161 IonicContact NE-OD2 2.67Å; R157-D161 PolarHBondContact NE-OD2 3.48Å; R157-D161 IonicContact NH2-OD2 3.96Å; R157-D161 VanDerWaalsContact O-CB 3.29Å; R157-D161 WeakPolarHBondContact O-CB 3.05Å; R157-D161 PolarHBondContact O-N 2.8Å; D161-N164 CarbonylContact O-C 3.27Å; D161-N164 PolarHBondContact O-N 3.16Å; D161-Q165 PolarHBondContact O-N 3.42Å; D161-R166 HydrophobicContact CB-CB 4.09Å; D161-R166 HydrophobicContact CB-CG 4.12Å; D161-R166 VanDerWaalsContact O-CB 3.23Å; D161-R166 WeakPolarHBondContact O-CB 3.32Å; D161-R166 WeakPolarHBondContact O-CG 3.36Å; D161-R166 PolarHBondContact O-N 2.74Å; D161-Y167 HydrophobicContact CB-CD2 4.11Å; D161-Y167 HydrophobicContact CB-CE2 3.6Å |
| 162 | F | 96.6 | Very high | 89.7 | Confident | 32 Ų | 32 | 81.6 Ų | 81.6 | 14% | 0.14 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.6 | -49.7 | 170.7 | 167 | -108.4 | 0 | 0 | 0 | 112.5 | L158 L159 E160 N164 Q165 L170 F182 H187 F191 | L158-F162 VanDerWaalsContact O-CB 3.26Å; L158-F162 WeakPolarHBondContact O-CB 3.32Å; L158-F162 PolarHBondContact O-N 3.15Å; L159-F162 HydrophobicContact CD1-CD1 4.32Å; L159-F162 PolarHBondContact O-N 2.89Å; E160-F162 VanDerWaalsContact C-N 3.33Å; E160-F162 PolarHBondContact O-N 3.16Å; F162-N164 PolarHBondContact O-N 3.16Å; F162-Q165 WeakPolarHBondContact O-CA 3.29Å; F162-Q165 PolarHBondContact O-N 2.91Å; F162-L170 HydrophobicContact CB-CD2 4.18Å; F162-L170 HydrophobicContact CD2-CD2 3.52Å; F162-L170 HydrophobicContact CE2-CD2 4.19Å; F162-L170 HydrophobicContact CG-CD2 3.99Å; F162-F182 HydrophobicContact CB-CE1 4.12Å; F162-F182 HydrophobicContact CB-CZ 4.04Å; F162-F182 HydrophobicContact CD1-CD1 4.36Å; F162-F182 AromaticContact CD1-CE1 3.54Å; F162-F182 HydrophobicContact CD1-CE1 3.54Å; F162-F182 HydrophobicContact CD1-CZ 4.21Å; F162-F182 HydrophobicContact CE1-CE1 4.13Å; F162-F182 AromaticContact CG-CE1 3.84Å; F162-F182 HydrophobicContact CG-CE1 3.84Å; F162-F182 HydrophobicContact CG-CZ 4.28Å; F162-H187 HydrophobicContact CE1-CB 4Å; F162-F191 HydrophobicContact CE1-CB 4.33Å; F162-F191 HydrophobicContact CE2-CB 4.5Å; F162-F191 AromaticContact CE2-CD2 3.82Å; F162-F191 HydrophobicContact CE2-CD2 3.82Å; F162-F191 HydrophobicContact CE2-CE2 4.28Å; F162-F191 HydrophobicContact CE2-CG 4.24Å; F162-F191 HydrophobicContact CZ-CB 3.74Å; F162-F191 AromaticContact CZ-CD2 3.91Å; F162-F191 HydrophobicContact CZ-CD2 3.91Å; F162-F191 AromaticContact CZ-CG 3.95Å; F162-F191 HydrophobicContact CZ-CG 3.95Å |
| 163 | R | 94.7 | Very high | 91.9 | Very high | 73 Ų | 73 | 84.4 Ų | 84.4 | 28% | 0.275 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58 | -36.5 | 177 | -73.9 | 166.6 | 57.1 | 87.7 | 19.6 | 111.8 | L159 E160 Q165 D185 | L159-R163 HydrophobicContact CD1-CG 4.27Å; L159-R163 WeakPolarHBondContact O-CB 3.2Å; L159-R163 VanDerWaalsContact O-CG 3.23Å; L159-R163 WeakPolarHBondContact O-CG 3.16Å; L159-R163 PolarHBondContact O-N 3.37Å; E160-R163 PolarHBondContact O-N 2.96Å; E160-R163 IonicContact OE1-NE 2.66Å; E160-R163 IonicContact OE2-NE 3.05Å; R163-Q165 PolarHBondContact O-N 3.38Å; R163-D185 IonicContact CZ-OD2 3.74Å; R163-D185 IonicContact NH1-OD1 3.81Å; R163-D185 IonicContact NH1-OD2 2.82Å; R163-D185 PolarHBondContact NH1-OD2 3.09Å |
| 164 | N | 94.5 | Very high | 93.8 | Very high | 92 Ų | 92 | 81.2 Ų | 81.2 | 49% | 0.492 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 21.4 | 174.5 | -68.7 | -76.1 | 0 | 0 | 0 | 114 | E160 D161 F162 R166 | E160-N164 WeakPolarHBondContact O-CB 3.04Å; E160-N164 PolarHBondContact O-N 3.22Å; E160-N164 PolarHBondContact O-ND2 2.63Å; E160-N164 PolarHBondContact OE1-ND2 2.82Å; D161-N164 CarbonylContact O-C 3.27Å; D161-N164 PolarHBondContact O-N 3.16Å; F162-N164 PolarHBondContact O-N 3.16Å; N164-R166 PolarHBondContact O-N 3.26Å; N164-R166 VanDerWaalsContact O-N 3.09Å |
| 165 | Q | 92.4 | Very high | 94.6 | Very high | 168 Ų | 168 | 77.5 Ų | 77.5 | 79% | 0.785 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 20.3 | 172.2 | -53 | -179.1 | 17.9 | 0 | 0 | 115.1 | D161 F162 R163 Y167 | D161-Q165 PolarHBondContact O-N 3.42Å; F162-Q165 WeakPolarHBondContact O-CA 3.29Å; F162-Q165 PolarHBondContact O-N 2.91Å; R163-Q165 PolarHBondContact O-N 3.38Å; Q165-Y167 VanDerWaalsContact C-N 3.26Å; Q165-Y167 PolarHBondContact O-N 3.24Å |
| 166 | R | 92.1 | Very high | 94.8 | Very high | 179 Ų | 179 | 75 Ų | 75 | 68% | 0.675 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -71.1 | -20.8 | 179.4 | -56.1 | -56.7 | -169.5 | 166.1 | -0.5 | 113.3 | D161 N164 P168 | D161-R166 HydrophobicContact CB-CB 4.09Å; D161-R166 HydrophobicContact CB-CG 4.12Å; D161-R166 VanDerWaalsContact O-CB 3.23Å; D161-R166 WeakPolarHBondContact O-CB 3.32Å; D161-R166 WeakPolarHBondContact O-CG 3.36Å; D161-R166 PolarHBondContact O-N 2.74Å; N164-R166 PolarHBondContact O-N 3.26Å; N164-R166 VanDerWaalsContact O-N 3.09Å; R166-P168 VanDerWaalsContact C-CD 3.48Å; R166-P168 VanDerWaalsContact O-CD 3.31Å; R166-P168 WeakPolarHBondContact O-CD 3.46Å |
| 167 | Y | 91.8 | Very high | 94.9 | Very high | 104 Ų | 104 | 80.8 Ų | 80.8 | 41% | 0.408 | 38% | 0.38 | S | S | . | . | trans | -118.9 | 72.4 | -179.2 | -61.7 | -63.5 | 0 | 0 | 0 | 112.3 | L158 D161 Q165 N169 L170 | L158-Y167 HydrophobicContact CD1-CD2 4.25Å; L158-Y167 HydrophobicContact CD1-CE2 3.92Å; D161-Y167 HydrophobicContact CB-CD2 4.11Å; D161-Y167 HydrophobicContact CB-CE2 3.6Å; Q165-Y167 VanDerWaalsContact C-N 3.26Å; Q165-Y167 PolarHBondContact O-N 3.24Å; Y167-N169 PolarHBondContact O-N 2.77Å; Y167-L170 HydrophobicContact CG-CD1 4.31Å; Y167-L170 PolarHBondContact O-N 3.13Å | ||
| 168 | P | 87.7 | Confident | 95 | Very high | 109 Ų | 109 | 74 Ų | 74 | 71% | 0.708 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.7 | -177.8 | 26.9 | -35.7 | 0 | 0 | 0 | 113.9 | R166 | R166-P168 VanDerWaalsContact C-CD 3.48Å; R166-P168 VanDerWaalsContact O-CD 3.31Å; R166-P168 WeakPolarHBondContact O-CD 3.46Å |
| 169 | N | 93.1 | Very high | 95 | Very high | 135 Ų | 135 | 72.4 Ų | 72.4 | 72% | 0.722 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 18.9 | -175.4 | -67.3 | -32.8 | 0 | 0 | 0 | 113.7 | Y167 Q171 | Y167-N169 PolarHBondContact O-N 2.77Å; N169-Q171 PolarHBondContact O-NE2 3.19Å |
| 170 | L | 95.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | trans | -58.1 | 144.6 | -176.2 | -161.4 | 65 | 0 | 0 | 0 | 112.3 | F162 Y167 D174 L175 F182 F191 K195 | F162-L170 HydrophobicContact CB-CD2 4.18Å; F162-L170 HydrophobicContact CD2-CD2 3.52Å; F162-L170 HydrophobicContact CE2-CD2 4.19Å; F162-L170 HydrophobicContact CG-CD2 3.99Å; Y167-L170 HydrophobicContact CG-CD1 4.31Å; Y167-L170 PolarHBondContact O-N 3.13Å; L170-D174 HydrophobicContact CD1-CB 3.56Å; L170-D174 HydrophobicContact CG-CB 4.37Å; L170-L175 HydrophobicContact CD2-CD2 3.72Å; L170-L175 HydrophobicContact CG-CD2 4.23Å; L170-F182 HydrophobicContact CD2-CE1 4.34Å; L170-F191 HydrophobicContact CB-CE2 3.95Å; L170-F191 HydrophobicContact CB-CZ 3.81Å; L170-F191 HydrophobicContact CD2-CE1 4.46Å; L170-F191 HydrophobicContact CD2-CE2 4.48Å; L170-F191 HydrophobicContact CD2-CZ 4.11Å; L170-F191 HydrophobicContact CG-CE2 4.44Å; L170-F191 HydrophobicContact CG-CZ 3.89Å; L170-F191 WeakPolarHBondContact O-CE2 3.4Å; L170-F191 VanDerWaalsContact O-CZ 3.31Å; L170-F191 WeakPolarHBondContact O-CZ 3.43Å; L170-K195 WeakPolarHBondContact O-CE 3.45Å; L170-K195 PolarHBondContact O-NZ 3.26Å | ||
| 171 | Q | 96.5 | Very high | 95.2 | Very high | 60 Ų | 60 | 74.1 Ų | 74.1 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | trans | -125.3 | 167.6 | 177.9 | -49.4 | -57.4 | -31.7 | 0 | 0 | 111.2 | N169 R173 D174 | N169-Q171 PolarHBondContact O-NE2 3.19Å; Q171-R173 VanDerWaalsContact C-N 3.34Å; Q171-R173 HydrophobicContact CB-CG 4.4Å; Q171-R173 PolarHBondContact O-N 3.26Å; Q171-D174 WeakPolarHBondContact CA-OD2 3.46Å; Q171-D174 WeakPolarHBondContact CB-OD2 3.27Å; Q171-D174 PolarHBondContact N-OD2 3.04Å; Q171-D174 WeakPolarHBondContact O-CB 3.33Å; Q171-D174 PolarHBondContact O-N 3.1Å; Q171-D174 VanDerWaalsContact O-N 3.13Å | ||
| 172 | L | 96.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -61.2 | -40.7 | -177.9 | -71.4 | 172.6 | 0 | 0 | 0 | 112.8 | D174 L175 F191 I192 K195 L196 A199 E203 M206 V207 | L172-D174 PolarHBondContact O-N 3.17Å; L172-D174 VanDerWaalsContact O-N 3.17Å; L172-L175 WeakPolarHBondContact O-CB 3.4Å; L172-L175 PolarHBondContact O-N 3.47Å; L172-F191 HydrophobicContact CD2-CE1 4.47Å; L172-I192 HydrophobicContact CD2-CG1 4.22Å; L172-I192 HydrophobicContact CD2-CG2 4.48Å; L172-K195 HydrophobicContact CD1-CB 3.74Å; L172-K195 HydrophobicContact CD2-CB 3.73Å; L172-K195 HydrophobicContact CD2-CG 4.25Å; L172-K195 HydrophobicContact CG-CB 3.59Å; L172-K195 HydrophobicContact CG-CG 4.17Å; L172-L196 HydrophobicContact CD1-CD2 4.35Å; L172-A199 HydrophobicContact CD1-CB 3.62Å; L172-E203 HydrophobicContact CD1-CB 4.24Å; L172-M206 HydrophobicContact CB-CE 4.04Å; L172-V207 HydrophobicContact CB-CG2 4.06Å; L172-V207 HydrophobicContact CD1-CG2 4.05Å; L172-V207 HydrophobicContact CD2-CG2 3.99Å; L172-V207 HydrophobicContact CG-CG2 4.25Å |
| 173 | R | 95.4 | Very high | 95.4 | Very high | 171 Ų | 171 | 71 Ų | 71 | 65% | 0.645 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -61.9 | -21.4 | 178.1 | 75.6 | -166.6 | 177.2 | -162.7 | -1.9 | 113.7 | Q171 M206 | Q171-R173 VanDerWaalsContact C-N 3.34Å; Q171-R173 HydrophobicContact CB-CG 4.4Å; Q171-R173 PolarHBondContact O-N 3.26Å; R173-M206 HydrophobicContact CB-CE 4.18Å |
| 174 | D | 96.8 | Very high | 95.6 | Very high | 63 Ų | 63 | 71.6 Ų | 71.6 | 34% | 0.337 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -83.3 | -6.8 | -179.4 | -44.1 | -29.1 | 0 | 0 | 0 | 110.9 | L170 Q171 L172 | L170-D174 HydrophobicContact CD1-CB 3.56Å; L170-D174 HydrophobicContact CG-CB 4.37Å; Q171-D174 WeakPolarHBondContact CA-OD2 3.46Å; Q171-D174 WeakPolarHBondContact CB-OD2 3.27Å; Q171-D174 PolarHBondContact N-OD2 3.04Å; Q171-D174 WeakPolarHBondContact O-CB 3.33Å; Q171-D174 PolarHBondContact O-N 3.1Å; Q171-D174 VanDerWaalsContact O-N 3.13Å; L172-D174 PolarHBondContact O-N 3.17Å; L172-D174 VanDerWaalsContact O-N 3.17Å |
| 175 | L | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -98 | 11.4 | 176.1 | -57.8 | -170.9 | 0 | 0 | 0 | 113.8 | L158 L170 L172 N177 H178 I179 F182 F191 I192 | L158-L175 HydrophobicContact CD2-CD2 4.24Å; L170-L175 HydrophobicContact CD2-CD2 3.72Å; L170-L175 HydrophobicContact CG-CD2 4.23Å; L172-L175 WeakPolarHBondContact O-CB 3.4Å; L172-L175 PolarHBondContact O-N 3.47Å; L175-N177 PolarHBondContact O-N 2.76Å; L175-H178 CarbonylContact O-C 3.08Å; L175-H178 WeakPolarHBondContact O-CA 3.42Å; L175-H178 WeakPolarHBondContact O-CB 3.08Å; L175-H178 PolarHBondContact O-N 3.16Å; L175-I179 HydrophobicContact CB-CD1 3.55Å; L175-I179 HydrophobicContact CB-CG1 4.38Å; L175-I179 HydrophobicContact CD1-CD1 4.01Å; L175-I179 HydrophobicContact CG-CD1 4.41Å; L175-I179 PolarHBondContact O-N 3.28Å; L175-F182 HydrophobicContact CD1-CB 4.3Å; L175-F182 HydrophobicContact CD1-CD1 3.66Å; L175-F182 HydrophobicContact CD1-CE1 4.14Å; L175-F182 HydrophobicContact CD1-CG 3.99Å; L175-F182 HydrophobicContact CD2-CD1 3.73Å; L175-F182 HydrophobicContact CD2-CD2 4.24Å; L175-F182 HydrophobicContact CD2-CE1 3.36Å; L175-F182 HydrophobicContact CD2-CE2 3.9Å; L175-F182 HydrophobicContact CD2-CG 4.17Å; L175-F182 HydrophobicContact CD2-CZ 3.45Å; L175-F182 VanDerWaalsContact CD2-CZ 3.45Å; L175-F182 HydrophobicContact CG-CD1 4.35Å; L175-F182 HydrophobicContact CG-CE1 4.41Å; L175-F191 HydrophobicContact CD1-CD1 3.87Å; L175-F191 HydrophobicContact CD1-CE1 3.64Å; L175-F191 HydrophobicContact CG-CE1 4.17Å; L175-I192 HydrophobicContact CD1-CD1 4.22Å; L175-I192 HydrophobicContact CD1-CG1 3.91Å |
| 176 | A | 95.9 | Very high | 96 | Very high | 41 Ų | 41 | 63.7 Ų | 63.7 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 132.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H178 E210 | A176-H178 PolarHBondContact O-N 3.46Å; A176-E210 WeakPolarHBondContact CA-OE1 3.38Å |
| 177 | N | 96.2 | Very high | 96.3 | Very high | 146 Ų | 146 | 59.4 Ų | 59.4 | 78% | 0.781 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 2.4 | -169.7 | -40.7 | -91.2 | 0 | 0 | 0 | 115.5 | L175 E210 | L175-N177 PolarHBondContact O-N 2.76Å; N177-E210 WeakPolarHBondContact CA-OE2 3.44Å; N177-E210 PolarHBondContact N-OE1 3.1Å; N177-E210 PolarHBondContact N-OE2 3.15Å |
| 178 | H | 97.6 | Very high | 96.6 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | trans | -119.8 | 4.9 | 178.9 | -71.5 | -84.7 | 0 | 0 | 0 | 113 | S156 L158 L175 A176 V180 E181 F182 E210 | S156-H178 VanDerWaalsContact CB-CE1 3.42Å; S156-H178 WeakPolarHBondContact CB-CE1 3.27Å; S156-H178 PolarHBondContact OG-ND1 3.29Å; L158-H178 HydrophobicContact CD2-CB 4.14Å; L175-H178 CarbonylContact O-C 3.08Å; L175-H178 WeakPolarHBondContact O-CA 3.42Å; L175-H178 WeakPolarHBondContact O-CB 3.08Å; L175-H178 PolarHBondContact O-N 3.16Å; A176-H178 PolarHBondContact O-N 3.46Å; H178-V180 VanDerWaalsContact C-N 3.34Å; H178-V180 PolarHBondContact O-N 2.89Å; H178-E181 IonicContact CE1-OE2 2.7Å; H178-E181 IonicContact CG-OE2 3.96Å; H178-E181 IonicContact ND1-OE2 3.88Å; H178-E181 PolarHBondContact ND1-OE2 3Å; H178-E181 PolarHBondContact O-N 3.06Å; H178-F182 HydrophobicContact CB-CD2 4Å; H178-F182 HydrophobicContact CB-CE2 4.19Å; H178-F182 WeakPolarHBondContact O-CD2 3.33Å; H178-F182 PolarHBondContact O-N 2.91Å; H178-E210 PolarHBondContact N-OE2 3.32Å | ||
| 179 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | -175.2 | -67.5 | -65.3 | 0 | 0 | 0 | 112.2 | L175 S183 I192 V207 E210 I211 | L175-I179 HydrophobicContact CB-CD1 3.55Å; L175-I179 HydrophobicContact CB-CG1 4.38Å; L175-I179 HydrophobicContact CD1-CD1 4.01Å; L175-I179 HydrophobicContact CG-CD1 4.41Å; L175-I179 PolarHBondContact O-N 3.28Å; I179-S183 VanDerWaalsContact O-CB 3.27Å; I179-S183 WeakPolarHBondContact O-CB 3.38Å; I179-S183 PolarHBondContact O-N 3.35Å; I179-S183 PolarHBondContact O-OG 3.16Å; I179-I192 HydrophobicContact CD1-CD1 4.33Å; I179-I192 HydrophobicContact CG2-CD1 4.35Å; I179-V207 HydrophobicContact CD1-CB 4.48Å; I179-V207 HydrophobicContact CD1-CG1 4.35Å; I179-V207 HydrophobicContact CD1-CG2 3.84Å; I179-V207 HydrophobicContact CG1-CG2 4.49Å; I179-V207 HydrophobicContact CG2-CG1 3.76Å; I179-E210 HydrophobicContact CB-CB 3.8Å; I179-E210 HydrophobicContact CB-CG 4.39Å; I179-E210 VanDerWaalsContact CB-OE2 3.23Å; I179-E210 WeakPolarHBondContact CB-OE2 3.19Å; I179-E210 HydrophobicContact CG1-CB 4.24Å; I179-E210 HydrophobicContact CG1-CG 4.39Å; I179-E210 WeakPolarHBondContact CG1-OE2 3.32Å; I179-E210 HydrophobicContact CG2-CB 4.17Å; I179-E210 PolarHBondContact N-OE2 2.94Å; I179-I211 HydrophobicContact CG2-CG2 3.49Å; I179-I211 VanDerWaalsContact CG2-CG2 3.49Å |
| 180 | V | 98.2 | Very high | 97.4 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 24% | 0.236 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -44.3 | 178.7 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | H178 S183 Q184 E210 A214 L218 | H178-V180 VanDerWaalsContact C-N 3.34Å; H178-V180 PolarHBondContact O-N 2.89Å; V180-S183 WeakPolarHBondContact O-CB 3.25Å; V180-S183 PolarHBondContact O-N 3.04Å; V180-Q184 PolarHBondContact O-N 3.46Å; V180-Q184 VanDerWaalsContact O-N 3.09Å; V180-E210 WeakPolarHBondContact CG2-O 3.33Å; V180-A214 HydrophobicContact CG1-CB 3.74Å; V180-A214 HydrophobicContact CG2-CB 3.91Å; V180-L218 HydrophobicContact CG1-CD2 4.35Å |
| 181 | E | 98.1 | Very high | 97.5 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -49.2 | 176.7 | -170.3 | -158.1 | 173.3 | 0 | 0 | 111.3 | S156 L159 H178 S183 Q184 D185 | S156-E181 WeakPolarHBondContact CB-OE1 3.35Å; S156-E181 WeakPolarHBondContact CB-OE2 3.31Å; S156-E181 PolarHBondContact N-OE1 3.33Å; S156-E181 VanDerWaalsContact OG-CD 3.25Å; S156-E181 PolarHBondContact OG-OE1 2.95Å; S156-E181 VanDerWaalsContact OG-OE1 3.06Å; S156-E181 PolarHBondContact OG-OE2 3.38Å; L159-E181 WeakPolarHBondContact CB-OE1 3.39Å; L159-E181 HydrophobicContact CD2-CG 3.95Å; L159-E181 WeakPolarHBondContact CD2-OE1 3.32Å; H178-E181 IonicContact CE1-OE2 2.7Å; H178-E181 IonicContact CG-OE2 3.96Å; H178-E181 IonicContact ND1-OE2 3.88Å; H178-E181 PolarHBondContact ND1-OE2 3Å; H178-E181 PolarHBondContact O-N 3.06Å; E181-S183 VanDerWaalsContact C-N 3.3Å; E181-S183 PolarHBondContact O-N 3.29Å; E181-Q184 PolarHBondContact O-N 2.83Å; E181-Q184 VanDerWaalsContact O-N 3.16Å; E181-D185 PolarHBondContact O-N 3.42Å |
| 182 | F | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 176.2 | -89.1 | -116.8 | 0 | 0 | 0 | 111.4 | L158 L159 F162 L170 L175 H178 Q184 D185 G188 S189 I192 | L158-F182 HydrophobicContact CD2-CE2 4.24Å; L158-F182 HydrophobicContact CD2-CZ 4.5Å; L158-F182 HydrophobicContact CG-CE2 4.03Å; L158-F182 HydrophobicContact CG-CZ 4.01Å; L159-F182 HydrophobicContact CB-CD2 4.18Å; L159-F182 HydrophobicContact CB-CE2 3.61Å; L159-F182 HydrophobicContact CB-CZ 4.05Å; L159-F182 HydrophobicContact CD1-CD1 4.06Å; L159-F182 HydrophobicContact CD1-CD2 3.95Å; L159-F182 HydrophobicContact CD1-CE1 3.94Å; L159-F182 HydrophobicContact CD1-CE2 3.85Å; L159-F182 HydrophobicContact CD1-CG 4.05Å; L159-F182 HydrophobicContact CD1-CZ 3.84Å; L159-F182 HydrophobicContact CG-CE2 4.28Å; F162-F182 HydrophobicContact CB-CE1 4.12Å; F162-F182 HydrophobicContact CB-CZ 4.04Å; F162-F182 HydrophobicContact CD1-CD1 4.36Å; F162-F182 AromaticContact CD1-CE1 3.54Å; F162-F182 HydrophobicContact CD1-CE1 3.54Å; F162-F182 HydrophobicContact CD1-CZ 4.21Å; F162-F182 HydrophobicContact CE1-CE1 4.13Å; F162-F182 AromaticContact CG-CE1 3.84Å; F162-F182 HydrophobicContact CG-CE1 3.84Å; F162-F182 HydrophobicContact CG-CZ 4.28Å; L170-F182 HydrophobicContact CD2-CE1 4.34Å; L175-F182 HydrophobicContact CD1-CB 4.3Å; L175-F182 HydrophobicContact CD1-CD1 3.66Å; L175-F182 HydrophobicContact CD1-CE1 4.14Å; L175-F182 HydrophobicContact CD1-CG 3.99Å; L175-F182 HydrophobicContact CD2-CD1 3.73Å; L175-F182 HydrophobicContact CD2-CD2 4.24Å; L175-F182 HydrophobicContact CD2-CE1 3.36Å; L175-F182 HydrophobicContact CD2-CE2 3.9Å; L175-F182 HydrophobicContact CD2-CG 4.17Å; L175-F182 HydrophobicContact CD2-CZ 3.45Å; L175-F182 VanDerWaalsContact CD2-CZ 3.45Å; L175-F182 HydrophobicContact CG-CD1 4.35Å; L175-F182 HydrophobicContact CG-CE1 4.41Å; H178-F182 HydrophobicContact CB-CD2 4Å; H178-F182 HydrophobicContact CB-CE2 4.19Å; H178-F182 WeakPolarHBondContact O-CD2 3.33Å; H178-F182 PolarHBondContact O-N 2.91Å; F182-Q184 PolarHBondContact O-N 3.29Å; F182-D185 PolarHBondContact O-N 3.05Å; F182-G188 CarbonylContact O-C 3.57Å; F182-G188 VanDerWaalsContact O-CA 3.29Å; F182-G188 WeakPolarHBondContact O-CA 3.45Å; F182-S189 PolarHBondContact O-N 3.11Å; F182-I192 HydrophobicContact CB-CD1 3.64Å |
| 183 | S | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.5 | -26.3 | 177.3 | -60.9 | 0 | 0 | 0 | 0 | 113 | I179 V180 E181 S189 F223 G224 | I179-S183 VanDerWaalsContact O-CB 3.27Å; I179-S183 WeakPolarHBondContact O-CB 3.38Å; I179-S183 PolarHBondContact O-N 3.35Å; I179-S183 PolarHBondContact O-OG 3.16Å; V180-S183 WeakPolarHBondContact O-CB 3.25Å; V180-S183 PolarHBondContact O-N 3.04Å; E181-S183 VanDerWaalsContact C-N 3.3Å; E181-S183 PolarHBondContact O-N 3.29Å; S183-S189 WeakPolarHBondContact O-CB 3.49Å; S183-F223 CarbonylContact O-C 3.51Å; S183-F223 VanDerWaalsContact O-C 3.22Å; S183-G224 VanDerWaalsContact O-CA 3.25Å; S183-G224 WeakPolarHBondContact O-CA 3.28Å; S183-G224 PolarHBondContact O-N 3.1Å |
| 184 | Q | 98.2 | Very high | 97.8 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 3.8 | 174.7 | -67.7 | 174.5 | -19.8 | 0 | 0 | 113.2 | V180 E181 F182 L218 F223 | V180-Q184 PolarHBondContact O-N 3.46Å; V180-Q184 VanDerWaalsContact O-N 3.09Å; E181-Q184 PolarHBondContact O-N 2.83Å; E181-Q184 VanDerWaalsContact O-N 3.16Å; F182-Q184 PolarHBondContact O-N 3.29Å; Q184-L218 HydrophobicContact CG-CD2 3.72Å; Q184-F223 WeakPolarHBondContact O-CD2 3.36Å |
| 185 | D | 98.1 | Very high | 97.7 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -106.5 | 143.7 | 172.9 | -178 | -89.6 | 0 | 0 | 0 | 112.3 | R155 L159 R163 E181 F182 H187 G188 S189 | R155-D185 IonicContact NE-OD2 3.21Å; L159-D185 HydrophobicContact CD1-CB 3.91Å; L159-D185 HydrophobicContact CD2-CB 3.79Å; L159-D185 HydrophobicContact CG-CB 4.46Å; R163-D185 IonicContact CZ-OD2 3.74Å; R163-D185 IonicContact NH1-OD1 3.81Å; R163-D185 IonicContact NH1-OD2 2.82Å; R163-D185 PolarHBondContact NH1-OD2 3.09Å; E181-D185 PolarHBondContact O-N 3.42Å; F182-D185 PolarHBondContact O-N 3.05Å; D185-H187 VanDerWaalsContact C-N 3.32Å; D185-H187 PolarHBondContact O-N 3.32Å; D185-H187 WeakPolarHBondContact OD1-CA 3.44Å; D185-H187 WeakPolarHBondContact OD1-CB 3.36Å; D185-H187 IonicContact OD1-CD2 3.88Å; D185-H187 PolarHBondContact OD1-N 2.97Å; D185-G188 PolarHBondContact O-N 3.16Å; D185-G188 PolarHBondContact OD1-N 2.83Å; D185-S189 WeakPolarHBondContact O-CB 3.49Å; D185-S189 PolarHBondContact O-N 3.36Å |
| 186 | Q | 97.7 | Very high | 97.7 | Very high | 84 Ų | 84 | 47.2 Ų | 47.2 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.2 | -35.5 | -178 | -169.8 | -180 | 43 | 0 | 0 | 113.9 | R190 F223 | Q186-R190 WeakPolarHBondContact O-CD 3.43Å; Q186-R190 VanDerWaalsContact O-CG 3.26Å; Q186-R190 WeakPolarHBondContact O-CG 3.38Å; Q186-F223 HydrophobicContact CB-CD1 4.25Å; Q186-F223 HydrophobicContact CB-CD2 4.3Å; Q186-F223 HydrophobicContact CB-CE1 3.85Å; Q186-F223 HydrophobicContact CB-CE2 3.89Å; Q186-F223 HydrophobicContact CB-CG 4.48Å; Q186-F223 HydrophobicContact CB-CZ 3.65Å; Q186-F223 HydrophobicContact CG-CD1 4.27Å; Q186-F223 HydrophobicContact CG-CE1 3.71Å; Q186-F223 HydrophobicContact CG-CZ 3.91Å |
| 187 | H | 97.4 | Very high | 97.6 | Very high | 88 Ų | 88 | 49.6 Ų | 49.6 | 41% | 0.407 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -90.5 | -41.2 | 177.8 | -57.4 | -84.5 | 0 | 0 | 0 | 110.8 | F162 D185 S189 R190 F191 | F162-H187 HydrophobicContact CE1-CB 4Å; D185-H187 VanDerWaalsContact C-N 3.32Å; D185-H187 PolarHBondContact O-N 3.32Å; D185-H187 WeakPolarHBondContact OD1-CA 3.44Å; D185-H187 WeakPolarHBondContact OD1-CB 3.36Å; D185-H187 IonicContact OD1-CD2 3.88Å; D185-H187 PolarHBondContact OD1-N 2.97Å; H187-S189 PolarHBondContact O-N 3.18Å; H187-R190 PolarHBondContact O-N 3.34Å; H187-F191 WeakPolarHBondContact O-CB 3.43Å; H187-F191 PolarHBondContact O-N 2.95Å |
| 188 | G | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F182 D185 R190 F191 I192 | F182-G188 CarbonylContact O-C 3.57Å; F182-G188 VanDerWaalsContact O-CA 3.29Å; F182-G188 WeakPolarHBondContact O-CA 3.45Å; D185-G188 PolarHBondContact O-N 3.16Å; D185-G188 PolarHBondContact OD1-N 2.83Å; G188-R190 PolarHBondContact O-N 3.41Å; G188-F191 WeakPolarHBondContact O-CB 3.25Å; G188-F191 PolarHBondContact O-N 3Å; G188-I192 WeakPolarHBondContact O-CG1 3.5Å; G188-I192 PolarHBondContact O-N 3.09Å |
| 189 | S | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 178.7 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | F182 S183 D185 H187 F191 I192 Q193 F223 | F182-S189 PolarHBondContact O-N 3.11Å; S183-S189 WeakPolarHBondContact O-CB 3.49Å; D185-S189 WeakPolarHBondContact O-CB 3.49Å; D185-S189 PolarHBondContact O-N 3.36Å; H187-S189 PolarHBondContact O-N 3.18Å; S189-F191 VanDerWaalsContact C-N 3.32Å; S189-F191 PolarHBondContact O-N 3.46Å; S189-I192 PolarHBondContact O-N 3.27Å; S189-Q193 WeakPolarHBondContact O-CB 3.14Å; S189-Q193 WeakPolarHBondContact O-CG 3.37Å; S189-Q193 PolarHBondContact O-N 3.03Å; S189-Q193 PolarHBondContact O-NE2 2.88Å; S189-Q193 PolarHBondContact OG-NE2 3.44Å; S189-F223 PolarHBondContact OG-O 3.47Å |
| 190 | R | 98.1 | Very high | 97.2 | Very high | 145 Ų | 145 | 55.1 Ų | 55.1 | 55% | 0.547 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 176.1 | -74.3 | 179.9 | 179.6 | -75.8 | 2.6 | 112.2 | Q186 H187 G188 Q194 | Q186-R190 WeakPolarHBondContact O-CD 3.43Å; Q186-R190 VanDerWaalsContact O-CG 3.26Å; Q186-R190 WeakPolarHBondContact O-CG 3.38Å; H187-R190 PolarHBondContact O-N 3.34Å; G188-R190 PolarHBondContact O-N 3.41Å; R190-Q194 WeakPolarHBondContact O-CB 3.31Å; R190-Q194 VanDerWaalsContact O-CG 3.24Å; R190-Q194 WeakPolarHBondContact O-CG 3.4Å; R190-Q194 PolarHBondContact O-N 2.91Å |
| 191 | F | 98.2 | Very high | 97.1 | Very high | 23 Ų | 23 | 56.8 Ų | 56.8 | 10% | 0.101 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 174.4 | 171 | -87.6 | 0 | 0 | 0 | 111.5 | F162 L170 L172 L175 H187 G188 S189 Q193 Q194 K195 | F162-F191 HydrophobicContact CE1-CB 4.33Å; F162-F191 HydrophobicContact CE2-CB 4.5Å; F162-F191 AromaticContact CE2-CD2 3.82Å; F162-F191 HydrophobicContact CE2-CD2 3.82Å; F162-F191 HydrophobicContact CE2-CE2 4.28Å; F162-F191 HydrophobicContact CE2-CG 4.24Å; F162-F191 HydrophobicContact CZ-CB 3.74Å; F162-F191 AromaticContact CZ-CD2 3.91Å; F162-F191 HydrophobicContact CZ-CD2 3.91Å; F162-F191 AromaticContact CZ-CG 3.95Å; F162-F191 HydrophobicContact CZ-CG 3.95Å; L170-F191 HydrophobicContact CB-CE2 3.95Å; L170-F191 HydrophobicContact CB-CZ 3.81Å; L170-F191 HydrophobicContact CD2-CE1 4.46Å; L170-F191 HydrophobicContact CD2-CE2 4.48Å; L170-F191 HydrophobicContact CD2-CZ 4.11Å; L170-F191 HydrophobicContact CG-CE2 4.44Å; L170-F191 HydrophobicContact CG-CZ 3.89Å; L170-F191 WeakPolarHBondContact O-CE2 3.4Å; L170-F191 VanDerWaalsContact O-CZ 3.31Å; L170-F191 WeakPolarHBondContact O-CZ 3.43Å; L172-F191 HydrophobicContact CD2-CE1 4.47Å; L175-F191 HydrophobicContact CD1-CD1 3.87Å; L175-F191 HydrophobicContact CD1-CE1 3.64Å; L175-F191 HydrophobicContact CG-CE1 4.17Å; H187-F191 WeakPolarHBondContact O-CB 3.43Å; H187-F191 PolarHBondContact O-N 2.95Å; G188-F191 WeakPolarHBondContact O-CB 3.25Å; G188-F191 PolarHBondContact O-N 3Å; S189-F191 VanDerWaalsContact C-N 3.32Å; S189-F191 PolarHBondContact O-N 3.46Å; F191-Q193 PolarHBondContact O-N 2.97Å; F191-Q194 PolarHBondContact O-N 3.24Å; F191-K195 HydrophobicContact CD1-CG 4.33Å; F191-K195 HydrophobicContact CE1-CG 4.03Å; F191-K195 HydrophobicContact CE2-CD 4.47Å; F191-K195 HydrophobicContact CE2-CG 4.24Å; F191-K195 HydrophobicContact CZ-CD 4.35Å; F191-K195 VanDerWaalsContact CZ-CE 3.42Å; F191-K195 HydrophobicContact CZ-CG 4Å; F191-K195 VanDerWaalsContact O-CG 3.3Å; F191-K195 WeakPolarHBondContact O-CG 3.34Å; F191-K195 PolarHBondContact O-N 3.41Å |
| 192 | I | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 176.8 | -70 | 170.6 | 0 | 0 | 0 | 110.4 | L172 L175 I179 F182 G188 S189 Q194 K195 L196 V207 V227 | L172-I192 HydrophobicContact CD2-CG1 4.22Å; L172-I192 HydrophobicContact CD2-CG2 4.48Å; L175-I192 HydrophobicContact CD1-CD1 4.22Å; L175-I192 HydrophobicContact CD1-CG1 3.91Å; I179-I192 HydrophobicContact CD1-CD1 4.33Å; I179-I192 HydrophobicContact CG2-CD1 4.35Å; F182-I192 HydrophobicContact CB-CD1 3.64Å; G188-I192 WeakPolarHBondContact O-CG1 3.5Å; G188-I192 PolarHBondContact O-N 3.09Å; S189-I192 PolarHBondContact O-N 3.27Å; I192-Q194 PolarHBondContact O-N 2.91Å; I192-K195 PolarHBondContact O-N 3.13Å; I192-L196 HydrophobicContact CG2-CD1 3.66Å; I192-L196 HydrophobicContact CG2-CG 4.09Å; I192-L196 WeakPolarHBondContact O-CB 3.46Å; I192-L196 VanDerWaalsContact O-CG 3.3Å; I192-L196 WeakPolarHBondContact O-CG 3.46Å; I192-L196 PolarHBondContact O-N 2.87Å; I192-V207 HydrophobicContact CG2-CG1 4.28Å; I192-V227 HydrophobicContact CB-CG2 4.4Å; I192-V227 HydrophobicContact CG2-CG1 3.82Å; I192-V227 HydrophobicContact CG2-CG2 4.03Å |
| 193 | Q | 98.3 | Very high | 97 | Very high | 32 Ų | 32 | 60.5 Ų | 60.5 | 15% | 0.15 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.9 | -50.9 | 176.4 | -70.6 | 164.3 | 52.9 | 0 | 0 | 112 | S189 F191 K195 L196 E197 Y226 K230 | S189-Q193 WeakPolarHBondContact O-CB 3.14Å; S189-Q193 WeakPolarHBondContact O-CG 3.37Å; S189-Q193 PolarHBondContact O-N 3.03Å; S189-Q193 PolarHBondContact O-NE2 2.88Å; S189-Q193 PolarHBondContact OG-NE2 3.44Å; F191-Q193 PolarHBondContact O-N 2.97Å; Q193-K195 VanDerWaalsContact C-N 3.33Å; Q193-K195 PolarHBondContact O-N 3.19Å; Q193-L196 PolarHBondContact O-N 2.62Å; Q193-E197 WeakPolarHBondContact O-CG 3.32Å; Q193-Y226 VanDerWaalsContact CD-CB 3.48Å; Q193-Y226 VanDerWaalsContact NE2-CB 3.3Å; Q193-K230 HydrophobicContact CB-CG 4.32Å; Q193-K230 HydrophobicContact CG-CG 4.14Å |
| 194 | Q | 97 | Very high | 96.9 | Very high | 138 Ų | 138 | 62.1 Ų | 62.1 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.4 | -34.4 | -178.9 | -74.7 | 172.2 | -1.8 | 0 | 0 | 113.2 | R190 F191 I192 | R190-Q194 WeakPolarHBondContact O-CB 3.31Å; R190-Q194 VanDerWaalsContact O-CG 3.24Å; R190-Q194 WeakPolarHBondContact O-CG 3.4Å; R190-Q194 PolarHBondContact O-N 2.91Å; F191-Q194 PolarHBondContact O-N 3.24Å; I192-Q194 PolarHBondContact O-N 2.91Å |
| 195 | K | 96.7 | Very high | 96.9 | Very high | 55 Ų | 55 | 61.8 Ų | 61.8 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.1 | -42.3 | 177.2 | -68.2 | -72.8 | -170.5 | 172.3 | 0 | 111.8 | L170 L172 F191 I192 Q193 E197 R198 A199 | L170-K195 WeakPolarHBondContact O-CE 3.45Å; L170-K195 PolarHBondContact O-NZ 3.26Å; L172-K195 HydrophobicContact CD1-CB 3.74Å; L172-K195 HydrophobicContact CD2-CB 3.73Å; L172-K195 HydrophobicContact CD2-CG 4.25Å; L172-K195 HydrophobicContact CG-CB 3.59Å; L172-K195 HydrophobicContact CG-CG 4.17Å; F191-K195 HydrophobicContact CD1-CG 4.33Å; F191-K195 HydrophobicContact CE1-CG 4.03Å; F191-K195 HydrophobicContact CE2-CD 4.47Å; F191-K195 HydrophobicContact CE2-CG 4.24Å; F191-K195 HydrophobicContact CZ-CD 4.35Å; F191-K195 VanDerWaalsContact CZ-CE 3.42Å; F191-K195 HydrophobicContact CZ-CG 4Å; F191-K195 VanDerWaalsContact O-CG 3.3Å; F191-K195 WeakPolarHBondContact O-CG 3.34Å; F191-K195 PolarHBondContact O-N 3.41Å; I192-K195 PolarHBondContact O-N 3.13Å; Q193-K195 VanDerWaalsContact C-N 3.33Å; Q193-K195 PolarHBondContact O-N 3.19Å; K195-E197 PolarHBondContact O-N 2.96Å; K195-E197 VanDerWaalsContact O-N 3.13Å; K195-R198 CarbonylContact O-C 3.51Å; K195-R198 PolarHBondContact O-N 2.87Å; K195-A199 WeakPolarHBondContact O-CB 3.18Å; K195-A199 PolarHBondContact O-N 3.48Å |
| 196 | L | 96.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.6 | -30.5 | -176 | -80.1 | 172.7 | 0 | 0 | 0 | 113.8 | L172 I192 Q193 R198 K204 V207 V227 K230 F231 | L172-L196 HydrophobicContact CD1-CD2 4.35Å; I192-L196 HydrophobicContact CG2-CD1 3.66Å; I192-L196 HydrophobicContact CG2-CG 4.09Å; I192-L196 WeakPolarHBondContact O-CB 3.46Å; I192-L196 VanDerWaalsContact O-CG 3.3Å; I192-L196 WeakPolarHBondContact O-CG 3.46Å; I192-L196 PolarHBondContact O-N 2.87Å; Q193-L196 PolarHBondContact O-N 2.62Å; L196-R198 PolarHBondContact O-N 3.19Å; L196-K204 HydrophobicContact CD2-CG 4.03Å; L196-K204 WeakPolarHBondContact O-CE 3.12Å; L196-V207 HydrophobicContact CD2-CB 4.46Å; L196-V207 HydrophobicContact CD2-CG1 4.26Å; L196-V227 HydrophobicContact CD1-CG1 4.25Å; L196-K230 HydrophobicContact CD1-CB 4.11Å; L196-F231 HydrophobicContact CD1-CD2 4.1Å; L196-F231 HydrophobicContact CD1-CE2 3.62Å; L196-F231 HydrophobicContact CD1-CZ 4.22Å; L196-F231 HydrophobicContact CD2-CE1 4.32Å; L196-F231 HydrophobicContact CD2-CE2 3.89Å; L196-F231 HydrophobicContact CD2-CZ 3.6Å; L196-F231 HydrophobicContact CG-CE2 4.44Å |
| 197 | E | 92.8 | Very high | 96.9 | Very high | 90 Ų | 90 | 59.6 Ų | 59.6 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27.6 | 177.6 | -48.5 | -165.6 | 147 | 0 | 0 | 113 | Q193 K195 K230 F234 | Q193-E197 WeakPolarHBondContact O-CG 3.32Å; K195-E197 PolarHBondContact O-N 2.96Å; K195-E197 VanDerWaalsContact O-N 3.13Å; E197-K230 WeakPolarHBondContact OE1-CE 3.48Å; E197-K230 IonicContact OE1-NZ 3.88Å; E197-K230 PolarHBondContact OE1-NZ 2.87Å; E197-F234 HydrophobicContact CB-CE2 4.25Å; E197-F234 HydrophobicContact CG-CD2 4.21Å; E197-F234 HydrophobicContact CG-CE2 3.68Å; E197-F234 HydrophobicContact CG-CZ 4.34Å |
| 198 | R | 93.1 | Very high | 96.9 | Very high | 226 Ų | 226 | 55.7 Ų | 55.7 | 85% | 0.853 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -2.6 | -176.1 | -54.8 | -176.4 | -171.2 | -170.7 | 1.1 | 113.5 | K195 L196 | K195-R198 CarbonylContact O-C 3.51Å; K195-R198 PolarHBondContact O-N 2.87Å; L196-R198 PolarHBondContact O-N 3.19Å |
| 199 | A | 95 | Very high | 96.9 | Very high | 14 Ų | 14 | 59 Ų | 59 | 12% | 0.116 | 30% | 0.3 | C | S | . | . | trans | -67 | 142.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L172 K195 E203 K204 | L172-A199 HydrophobicContact CD1-CB 3.62Å; K195-A199 WeakPolarHBondContact O-CB 3.18Å; K195-A199 PolarHBondContact O-N 3.48Å; A199-E203 HydrophobicContact CB-CB 4.06Å; A199-K204 HydrophobicContact CB-CG 3.97Å; A199-K204 WeakPolarHBondContact O-CE 3.44Å | ||
| 200 | T | 96.6 | Very high | 96.9 | Very high | 80 Ų | 80 | 60.9 Ų | 60.9 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | trans | -63.3 | 159.7 | 170.7 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | A202 E203 K204 | T200-A202 PolarHBondContact O-N 3.07Å; T200-E203 WeakPolarHBondContact CB-OE2 3.26Å; T200-E203 WeakPolarHBondContact CG2-OE2 3.37Å; T200-E203 PolarHBondContact N-OE2 3.02Å; T200-E203 PolarHBondContact O-N 2.8Å; T200-E203 WeakPolarHBondContact OG1-CG 3.28Å; T200-E203 PolarHBondContact OG1-N 3.35Å; T200-E203 PolarHBondContact OG1-OE2 3.39Å; T200-K204 WeakPolarHBondContact O-CG 3.36Å; T200-K204 PolarHBondContact O-N 3Å | ||
| 201 | A | 95.8 | Very high | 96.8 | Very high | 74 Ų | 74 | 54 Ų | 54 | 61% | 0.612 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -57.7 | -35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K204 Q205 | A201-K204 PolarHBondContact O-N 3.36Å; A201-Q205 WeakPolarHBondContact O-CB 3.44Å; A201-Q205 PolarHBondContact O-N 3.33Å |
| 202 | A | 96.6 | Very high | 96.8 | Very high | 76 Ų | 76 | 55.3 Ų | 55.3 | 63% | 0.628 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T200 Q205 M206 | T200-A202 PolarHBondContact O-N 3.07Å; A202-Q205 PolarHBondContact O-N 2.82Å; A202-M206 PolarHBondContact O-N 2.8Å |
| 203 | E | 96.6 | Very high | 96.6 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 174.3 | -72.5 | 166.1 | 113.6 | 0 | 0 | 111.4 | L172 A199 T200 Q205 M206 V207 | L172-E203 HydrophobicContact CD1-CB 4.24Å; A199-E203 HydrophobicContact CB-CB 4.06Å; T200-E203 WeakPolarHBondContact CB-OE2 3.26Å; T200-E203 WeakPolarHBondContact CG2-OE2 3.37Å; T200-E203 PolarHBondContact N-OE2 3.02Å; T200-E203 PolarHBondContact O-N 2.8Å; T200-E203 WeakPolarHBondContact OG1-CG 3.28Å; T200-E203 PolarHBondContact OG1-N 3.35Å; T200-E203 PolarHBondContact OG1-OE2 3.39Å; E203-Q205 VanDerWaalsContact C-N 3.31Å; E203-Q205 PolarHBondContact O-N 2.6Å; E203-M206 HydrophobicContact CB-CE 4.47Å; E203-M206 PolarHBondContact O-N 2.89Å; E203-V207 WeakPolarHBondContact O-CG2 3.48Å; E203-V207 PolarHBondContact O-N 3.4Å |
| 204 | K | 97.5 | Very high | 96.5 | Very high | 34 Ų | 34 | 59.9 Ų | 59.9 | 15% | 0.148 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.9 | -44.6 | 174.1 | -72.5 | -180 | 176.1 | -177.9 | 0 | 111.6 | L196 A199 T200 A201 V207 F208 F231 F234 | L196-K204 HydrophobicContact CD2-CG 4.03Å; L196-K204 WeakPolarHBondContact O-CE 3.12Å; A199-K204 HydrophobicContact CB-CG 3.97Å; A199-K204 WeakPolarHBondContact O-CE 3.44Å; T200-K204 WeakPolarHBondContact O-CG 3.36Å; T200-K204 PolarHBondContact O-N 3Å; A201-K204 PolarHBondContact O-N 3.36Å; K204-V207 PolarHBondContact O-N 3.35Å; K204-F208 WeakPolarHBondContact O-CB 3.27Å; K204-F208 PolarHBondContact O-N 2.78Å; K204-F231 HydrophobicContact CB-CE1 4.27Å; K204-F231 WeakPolarHBondContact O-CE1 3.35Å; K204-F231 WeakPolarHBondContact O-CZ 3.34Å; K204-F234 PolarHBondContact NZ-O 3.23Å |
| 205 | Q | 98.1 | Very high | 96.6 | Very high | 78 Ų | 78 | 53.3 Ų | 53.3 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.4 | -37.5 | -178.9 | -173.3 | 59.2 | 27 | 0 | 0 | 113 | A201 A202 E203 F208 S209 | A201-Q205 WeakPolarHBondContact O-CB 3.44Å; A201-Q205 PolarHBondContact O-N 3.33Å; A202-Q205 PolarHBondContact O-N 2.82Å; E203-Q205 VanDerWaalsContact C-N 3.31Å; E203-Q205 PolarHBondContact O-N 2.6Å; Q205-F208 PolarHBondContact O-N 3.46Å; Q205-S209 WeakPolarHBondContact O-CB 3.48Å; Q205-S209 PolarHBondContact O-N 3.47Å; Q205-S209 PolarHBondContact O-OG 3.45Å |
| 206 | M | 97.3 | Very high | 96.6 | Very high | 50 Ų | 50 | 53.7 Ų | 53.7 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.4 | -48.5 | 174.3 | 163.9 | -86.1 | -58.5 | 0 | 0 | 111.2 | L172 R173 A202 E203 F208 S209 E210 | L172-M206 HydrophobicContact CB-CE 4.04Å; R173-M206 HydrophobicContact CB-CE 4.18Å; A202-M206 PolarHBondContact O-N 2.8Å; E203-M206 HydrophobicContact CB-CE 4.47Å; E203-M206 PolarHBondContact O-N 2.89Å; M206-F208 VanDerWaalsContact C-N 3.31Å; M206-F208 PolarHBondContact O-N 2.89Å; M206-S209 PolarHBondContact O-N 2.95Å; M206-E210 PolarHBondContact O-N 3.39Å |
| 207 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 174.1 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | L172 I179 I192 L196 E203 K204 S209 E210 I211 F231 | L172-V207 HydrophobicContact CB-CG2 4.06Å; L172-V207 HydrophobicContact CD1-CG2 4.05Å; L172-V207 HydrophobicContact CD2-CG2 3.99Å; L172-V207 HydrophobicContact CG-CG2 4.25Å; I179-V207 HydrophobicContact CD1-CB 4.48Å; I179-V207 HydrophobicContact CD1-CG1 4.35Å; I179-V207 HydrophobicContact CD1-CG2 3.84Å; I179-V207 HydrophobicContact CG1-CG2 4.49Å; I179-V207 HydrophobicContact CG2-CG1 3.76Å; I192-V207 HydrophobicContact CG2-CG1 4.28Å; L196-V207 HydrophobicContact CD2-CB 4.46Å; L196-V207 HydrophobicContact CD2-CG1 4.26Å; E203-V207 WeakPolarHBondContact O-CG2 3.48Å; E203-V207 PolarHBondContact O-N 3.4Å; K204-V207 PolarHBondContact O-N 3.35Å; V207-S209 VanDerWaalsContact C-N 3.33Å; V207-S209 PolarHBondContact O-N 3.21Å; V207-E210 PolarHBondContact O-N 2.86Å; V207-I211 WeakPolarHBondContact O-CG1 3.13Å; V207-I211 PolarHBondContact O-N 3.05Å; V207-I211 VanDerWaalsContact O-N 3.17Å; V207-F231 HydrophobicContact CB-CZ 4.04Å; V207-F231 HydrophobicContact CG1-CE2 3.78Å; V207-F231 HydrophobicContact CG1-CZ 3.8Å |
| 208 | F | 98.3 | Very high | 97 | Very high | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 178.4 | -170.1 | -101.9 | 0 | 0 | 0 | 112.6 | K204 Q205 M206 E210 I211 L212 F231 Q239 T242 L243 | K204-F208 WeakPolarHBondContact O-CB 3.27Å; K204-F208 PolarHBondContact O-N 2.78Å; Q205-F208 PolarHBondContact O-N 3.46Å; M206-F208 VanDerWaalsContact C-N 3.31Å; M206-F208 PolarHBondContact O-N 2.89Å; F208-E210 VanDerWaalsContact C-N 3.32Å; F208-E210 PolarHBondContact O-N 2.87Å; F208-I211 HydrophobicContact CD2-CD1 4.31Å; F208-I211 VanDerWaalsContact O-CG1 3.3Å; F208-I211 WeakPolarHBondContact O-CG1 2.95Å; F208-I211 PolarHBondContact O-N 3.04Å; F208-L212 HydrophobicContact CE1-CD2 4.14Å; F208-L212 HydrophobicContact CZ-CD1 4.42Å; F208-L212 WeakPolarHBondContact O-CB 3.25Å; F208-L212 PolarHBondContact O-N 3.22Å; F208-F231 HydrophobicContact CB-CD1 4.46Å; F208-F231 HydrophobicContact CB-CE1 3.76Å; F208-F231 HydrophobicContact CB-CZ 4.01Å; F208-F231 AromaticContact CD2-CD1 3.56Å; F208-F231 HydrophobicContact CD2-CD1 3.56Å; F208-F231 AromaticContact CD2-CE1 3.73Å; F208-F231 HydrophobicContact CD2-CE1 3.73Å; F208-F231 HydrophobicContact CD2-CG 4Å; F208-F231 HydrophobicContact CD2-CZ 4.31Å; F208-F231 HydrophobicContact CE2-CD1 4.29Å; F208-F231 HydrophobicContact CG-CD1 4.44Å; F208-F231 HydrophobicContact CG-CE1 4.21Å; F208-Q239 HydrophobicContact CD1-CG 3.9Å; F208-Q239 HydrophobicContact CD2-CB 3.97Å; F208-Q239 HydrophobicContact CD2-CG 3.85Å; F208-Q239 HydrophobicContact CE1-CB 4.33Å; F208-Q239 HydrophobicContact CE1-CG 4.02Å; F208-Q239 HydrophobicContact CE2-CB 3.66Å; F208-Q239 HydrophobicContact CE2-CG 3.96Å; F208-Q239 HydrophobicContact CG-CB 4.42Å; F208-Q239 HydrophobicContact CG-CG 3.81Å; F208-Q239 HydrophobicContact CZ-CB 3.87Å; F208-Q239 HydrophobicContact CZ-CG 4.06Å; F208-Q239 WeakPolarHBondContact CZ-O 3.49Å; F208-T242 HydrophobicContact CE1-CG2 4.08Å; F208-T242 HydrophobicContact CZ-CG2 4.06Å; F208-L243 HydrophobicContact CE2-CD1 3.9Å; F208-L243 HydrophobicContact CE2-CD2 4.22Å; F208-L243 HydrophobicContact CE2-CG 3.75Å; F208-L243 HydrophobicContact CZ-CG 4.1Å |
| 209 | S | 97.6 | Very high | 97.3 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 49% | 0.49 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -35 | -176.4 | -57.3 | 0 | 0 | 0 | 0 | 112 | Q205 M206 V207 | Q205-S209 WeakPolarHBondContact O-CB 3.48Å; Q205-S209 PolarHBondContact O-N 3.47Å; Q205-S209 PolarHBondContact O-OG 3.45Å; M206-S209 PolarHBondContact O-N 2.95Å; V207-S209 VanDerWaalsContact C-N 3.33Å; V207-S209 PolarHBondContact O-N 3.21Å |
| 210 | E | 97.5 | Very high | 97.4 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.8 | -44.7 | 174.6 | -72.4 | -174.5 | -137.1 | 0 | 0 | 112.9 | A176 N177 H178 I179 V180 M206 V207 F208 L212 | A176-E210 WeakPolarHBondContact CA-OE1 3.38Å; N177-E210 WeakPolarHBondContact CA-OE2 3.44Å; N177-E210 PolarHBondContact N-OE1 3.1Å; N177-E210 PolarHBondContact N-OE2 3.15Å; H178-E210 PolarHBondContact N-OE2 3.32Å; I179-E210 HydrophobicContact CB-CB 3.8Å; I179-E210 HydrophobicContact CB-CG 4.39Å; I179-E210 VanDerWaalsContact CB-OE2 3.23Å; I179-E210 WeakPolarHBondContact CB-OE2 3.19Å; I179-E210 HydrophobicContact CG1-CB 4.24Å; I179-E210 HydrophobicContact CG1-CG 4.39Å; I179-E210 WeakPolarHBondContact CG1-OE2 3.32Å; I179-E210 HydrophobicContact CG2-CB 4.17Å; I179-E210 PolarHBondContact N-OE2 2.94Å; V180-E210 WeakPolarHBondContact CG2-O 3.33Å; M206-E210 PolarHBondContact O-N 3.39Å; V207-E210 PolarHBondContact O-N 2.86Å; F208-E210 VanDerWaalsContact C-N 3.32Å; F208-E210 PolarHBondContact O-N 2.87Å; E210-L212 VanDerWaalsContact C-N 3.29Å; E210-L212 PolarHBondContact O-N 3.11Å |
| 211 | I | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.8 | -26.5 | 179.9 | 63.5 | 178.3 | 0 | 0 | 0 | 113.1 | I179 V207 F208 A213 A214 A215 L218 V227 I228 F231 | I179-I211 HydrophobicContact CG2-CG2 3.49Å; I179-I211 VanDerWaalsContact CG2-CG2 3.49Å; V207-I211 WeakPolarHBondContact O-CG1 3.13Å; V207-I211 PolarHBondContact O-N 3.05Å; V207-I211 VanDerWaalsContact O-N 3.17Å; F208-I211 HydrophobicContact CD2-CD1 4.31Å; F208-I211 VanDerWaalsContact O-CG1 3.3Å; F208-I211 WeakPolarHBondContact O-CG1 2.95Å; F208-I211 PolarHBondContact O-N 3.04Å; I211-A213 VanDerWaalsContact C-N 3.35Å; I211-A213 PolarHBondContact O-N 2.83Å; I211-A214 CarbonylContact O-C 3.08Å; I211-A214 VanDerWaalsContact O-C 3.29Å; I211-A214 WeakPolarHBondContact O-CA 3.42Å; I211-A214 PolarHBondContact O-N 2.93Å; I211-A215 VanDerWaalsContact O-CA 3.3Å; I211-A215 WeakPolarHBondContact O-CA 3.41Å; I211-A215 PolarHBondContact O-N 2.95Å; I211-L218 HydrophobicContact CB-CD1 3.69Å; I211-L218 HydrophobicContact CG2-CD1 3.71Å; I211-V227 HydrophobicContact CD1-CG1 4.36Å; I211-V227 HydrophobicContact CG2-CG1 4.41Å; I211-I228 HydrophobicContact CD1-CD1 4.13Å; I211-F231 HydrophobicContact CD1-CD2 3.37Å; I211-F231 HydrophobicContact CD1-CE2 3.38Å; I211-F231 HydrophobicContact CD1-CG 4.19Å; I211-F231 HydrophobicContact CD1-CZ 4.2Å |
| 212 | L | 97.3 | Very high | 97.6 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.8 | -43.4 | -172.2 | -179.3 | 58.7 | 0 | 0 | 0 | 112.3 | F208 E210 A214 A215 T242 Q246 | F208-L212 HydrophobicContact CE1-CD2 4.14Å; F208-L212 HydrophobicContact CZ-CD1 4.42Å; F208-L212 WeakPolarHBondContact O-CB 3.25Å; F208-L212 PolarHBondContact O-N 3.22Å; E210-L212 VanDerWaalsContact C-N 3.29Å; E210-L212 PolarHBondContact O-N 3.11Å; L212-A214 PolarHBondContact O-N 3.32Å; L212-A215 WeakPolarHBondContact O-CB 3.17Å; L212-A215 PolarHBondContact O-N 3.16Å; L212-T242 HydrophobicContact CD1-CG2 3.78Å; L212-T242 HydrophobicContact CD2-CG2 3.89Å; L212-Q246 HydrophobicContact CD1-CG 3.8Å |
| 213 | A | 94.3 | Very high | 97.7 | Very high | 105 Ų | 105 | 38.3 Ų | 38.3 | 87% | 0.868 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I211 | I211-A213 VanDerWaalsContact C-N 3.35Å; I211-A213 PolarHBondContact O-N 2.83Å |
| 214 | A | 97.1 | Very high | 97.8 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 19% | 0.19 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 10.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | V180 I211 L212 Y216 S217 L218 | V180-A214 HydrophobicContact CG1-CB 3.74Å; V180-A214 HydrophobicContact CG2-CB 3.91Å; I211-A214 CarbonylContact O-C 3.08Å; I211-A214 VanDerWaalsContact O-C 3.29Å; I211-A214 WeakPolarHBondContact O-CA 3.42Å; I211-A214 PolarHBondContact O-N 2.93Å; L212-A214 PolarHBondContact O-N 3.32Å; A214-Y216 PolarHBondContact O-N 3.43Å; A214-S217 WeakPolarHBondContact O-CB 3.19Å; A214-S217 PolarHBondContact O-N 3.2Å; A214-L218 HydrophobicContact CB-CD1 4.21Å; A214-L218 HydrophobicContact CB-CG 4.36Å; A214-L218 PolarHBondContact O-N 3.16Å |
| 215 | A | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.1 | -49.9 | -162.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I211 L212 S217 L218 M219 L243 Q246 | I211-A215 VanDerWaalsContact O-CA 3.3Å; I211-A215 WeakPolarHBondContact O-CA 3.41Å; I211-A215 PolarHBondContact O-N 2.95Å; L212-A215 WeakPolarHBondContact O-CB 3.17Å; L212-A215 PolarHBondContact O-N 3.16Å; A215-S217 PolarHBondContact O-N 2.85Å; A215-L218 PolarHBondContact O-N 3.23Å; A215-M219 HydrophobicContact CB-CE 4.36Å; A215-M219 VanDerWaalsContact O-CG 3.3Å; A215-M219 WeakPolarHBondContact O-CG 3.34Å; A215-M219 PolarHBondContact O-N 2.97Å; A215-L243 HydrophobicContact CB-CD2 4.18Å; A215-Q246 HydrophobicContact CB-CB 4.47Å; A215-Q246 HydrophobicContact CB-CG 4.36Å |
| 216 | Y | 97.6 | Very high | 97.9 | Very high | 62 Ų | 62 | 34.6 Ų | 34.6 | 24% | 0.243 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 178.4 | -176.2 | -95 | 0 | 0 | 0 | 113 | A214 L218 M219 T220 H250 Q253 L254 | A214-Y216 PolarHBondContact O-N 3.43Å; Y216-L218 PolarHBondContact O-N 3.08Å; Y216-M219 WeakPolarHBondContact O-CB 3.49Å; Y216-M219 PolarHBondContact O-N 3.42Å; Y216-T220 HydrophobicContact CE1-CG2 4.25Å; Y216-T220 PolarHBondContact O-N 2.69Å; Y216-T220 PolarHBondContact O-OG1 2.98Å; Y216-H250 HydrophobicContact CD2-CB 4.35Å; Y216-H250 HydrophobicContact CE2-CB 3.86Å; Y216-Q253 WeakPolarHBondContact OH-CG 3.39Å; Y216-Q253 PolarHBondContact OH-NE2 3.04Å; Y216-Q253 VanDerWaalsContact OH-NE2 3.13Å; Y216-Q253 PolarHBondContact OH-OE1 3.08Å; Y216-L254 HydrophobicContact CD2-CD1 4.39Å; Y216-L254 HydrophobicContact CD2-CD2 4.16Å; Y216-L254 HydrophobicContact CD2-CG 4.47Å; Y216-L254 HydrophobicContact CE2-CD1 4.14Å; Y216-L254 HydrophobicContact CE2-CD2 3.62Å; Y216-L254 HydrophobicContact CE2-CG 3.8Å |
| 217 | S | 98.3 | Very high | 98 | Very high | 58 Ų | 58 | 32.2 Ų | 32.2 | 41% | 0.406 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.6 | -48 | 175.4 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | A214 A215 M219 T220 D221 | A214-S217 WeakPolarHBondContact O-CB 3.19Å; A214-S217 PolarHBondContact O-N 3.2Å; A215-S217 PolarHBondContact O-N 2.85Å; S217-M219 VanDerWaalsContact C-N 3.35Å; S217-M219 PolarHBondContact O-N 2.68Å; S217-T220 CarbonylContact O-C 3.29Å; S217-T220 PolarHBondContact O-N 3.29Å; S217-T220 VanDerWaalsContact O-N 3.1Å; S217-T220 PolarHBondContact O-OG1 3.07Å; S217-D221 PolarHBondContact O-N 3Å |
| 218 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -35.2 | 178.1 | -67.2 | 172.1 | 0 | 0 | 0 | 112.7 | V180 Q184 I211 A214 A215 Y216 T220 D221 G224 N225 I228 | V180-L218 HydrophobicContact CG1-CD2 4.35Å; Q184-L218 HydrophobicContact CG-CD2 3.72Å; I211-L218 HydrophobicContact CB-CD1 3.69Å; I211-L218 HydrophobicContact CG2-CD1 3.71Å; A214-L218 HydrophobicContact CB-CD1 4.21Å; A214-L218 HydrophobicContact CB-CG 4.36Å; A214-L218 PolarHBondContact O-N 3.16Å; A215-L218 PolarHBondContact O-N 3.23Å; Y216-L218 PolarHBondContact O-N 3.08Å; L218-T220 PolarHBondContact O-N 2.97Å; L218-D221 PolarHBondContact O-N 3.09Å; L218-G224 CarbonylContact O-C 3.22Å; L218-N225 VanDerWaalsContact O-CA 3.3Å; L218-N225 WeakPolarHBondContact O-CA 3.34Å; L218-N225 PolarHBondContact O-N 3.15Å; L218-I228 HydrophobicContact CB-CD1 3.93Å; L218-I228 HydrophobicContact CB-CG1 3.95Å; L218-I228 HydrophobicContact CD1-CD1 4.34Å |
| 219 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.5 | -35.4 | 173.3 | -67.3 | 179.1 | -167 | 0 | 0 | 112.4 | A215 Y216 S217 I228 L243 Q246 V247 L254 Y259 G260 V263 | A215-M219 HydrophobicContact CB-CE 4.36Å; A215-M219 VanDerWaalsContact O-CG 3.3Å; A215-M219 WeakPolarHBondContact O-CG 3.34Å; A215-M219 PolarHBondContact O-N 2.97Å; Y216-M219 WeakPolarHBondContact O-CB 3.49Å; Y216-M219 PolarHBondContact O-N 3.42Å; S217-M219 VanDerWaalsContact C-N 3.35Å; S217-M219 PolarHBondContact O-N 2.68Å; M219-I228 HydrophobicContact CE-CG2 4.09Å; M219-I228 HydrophobicContact CG-CB 4.39Å; M219-I228 HydrophobicContact CG-CG1 4.05Å; M219-I228 HydrophobicContact CG-CG2 3.98Å; M219-L243 HydrophobicContact CE-CD2 4.27Å; M219-Q246 HydrophobicContact CE-CB 4.19Å; M219-V247 HydrophobicContact CE-CG2 3.72Å; M219-V247 HydrophobicContact SD-CG2 3.84Å; M219-L254 HydrophobicContact CB-CD2 3.91Å; M219-L254 HydrophobicContact SD-CD1 3.81Å; M219-L254 HydrophobicContact SD-CD2 4.35Å; M219-Y259 CarbonylContact O-C 3.45Å; M219-G260 WeakPolarHBondContact O-CA 3.5Å; M219-G260 PolarHBondContact O-N 3Å; M219-V263 HydrophobicContact CB-CG2 4.09Å; M219-V263 HydrophobicContact CG-CB 4.41Å; M219-V263 HydrophobicContact CG-CG1 3.97Å; M219-V263 HydrophobicContact CG-CG2 4.19Å; M219-V263 HydrophobicContact SD-CG1 4.19Å |
| 220 | T | 98.5 | Very high | 98.1 | Very high | 36 Ų | 36 | 32.2 Ų | 32.2 | 22% | 0.221 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -90.7 | -5.1 | 179.8 | 61.7 | 0 | 0 | 0 | 0 | 114.6 | Y216 S217 L218 L254 Q257 Y259 | Y216-T220 HydrophobicContact CE1-CG2 4.25Å; Y216-T220 PolarHBondContact O-N 2.69Å; Y216-T220 PolarHBondContact O-OG1 2.98Å; S217-T220 CarbonylContact O-C 3.29Å; S217-T220 PolarHBondContact O-N 3.29Å; S217-T220 VanDerWaalsContact O-N 3.1Å; S217-T220 PolarHBondContact O-OG1 3.07Å; L218-T220 PolarHBondContact O-N 2.97Å; T220-L254 HydrophobicContact CG2-CD2 3.84Å; T220-Q257 HydrophobicContact CG2-CG 4.31Å; T220-Q257 PolarHBondContact O-NE2 2.86Å; T220-Y259 WeakPolarHBondContact O-CD2 3.34Å |
| 221 | D | 98.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 30.4 Ų | 30.4 | 20% | 0.198 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -86.1 | 149.5 | -178.2 | 179.2 | -108.1 | 0 | 0 | 0 | 113.1 | S217 L218 F223 G224 N225 | S217-D221 PolarHBondContact O-N 3Å; L218-D221 PolarHBondContact O-N 3.09Å; D221-F223 VanDerWaalsContact C-N 3.29Å; D221-F223 PolarHBondContact O-N 3.21Å; D221-F223 WeakPolarHBondContact OD1-CA 2.98Å; D221-F223 PolarHBondContact OD1-N 2.87Å; D221-G224 PolarHBondContact OD1-N 2.9Å; D221-N225 WeakPolarHBondContact O-CB 3.44Å; D221-N225 PolarHBondContact O-N 3.06Å; D221-N225 PolarHBondContact O-ND2 3.08Å |
| 222 | V | 98.2 | Very high | 98.1 | Very high | 50 Ų | 50 | 30.4 Ų | 30.4 | 30% | 0.303 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.5 | -178.2 | 59.4 | 0 | 0 | 0 | 0 | 114 | N225 Y226 Y259 | V222-N225 PolarHBondContact O-ND2 2.78Å; V222-N225 VanDerWaalsContact O-ND2 3.11Å; V222-Y226 WeakPolarHBondContact O-CE2 3.49Å; V222-Y259 HydrophobicContact CB-CE1 4.12Å; V222-Y259 HydrophobicContact CB-CE2 3.87Å; V222-Y259 HydrophobicContact CG2-CE1 3.93Å; V222-Y259 HydrophobicContact CG2-CE2 4.43Å; V222-Y259 WeakPolarHBondContact CG2-OH 3.36Å |
| 223 | F | 98.6 | Very high | 98.1 | Very high | 59 Ų | 59 | 31.1 Ų | 31.1 | 26% | 0.259 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -31.5 | 177.6 | -54 | -52.4 | 0 | 0 | 0 | 112.9 | S183 Q184 Q186 S189 D221 N225 | S183-F223 CarbonylContact O-C 3.51Å; S183-F223 VanDerWaalsContact O-C 3.22Å; Q184-F223 WeakPolarHBondContact O-CD2 3.36Å; Q186-F223 HydrophobicContact CB-CD1 4.25Å; Q186-F223 HydrophobicContact CB-CD2 4.3Å; Q186-F223 HydrophobicContact CB-CE1 3.85Å; Q186-F223 HydrophobicContact CB-CE2 3.89Å; Q186-F223 HydrophobicContact CB-CG 4.48Å; Q186-F223 HydrophobicContact CB-CZ 3.65Å; Q186-F223 HydrophobicContact CG-CD1 4.27Å; Q186-F223 HydrophobicContact CG-CE1 3.71Å; Q186-F223 HydrophobicContact CG-CZ 3.91Å; S189-F223 PolarHBondContact OG-O 3.47Å; D221-F223 VanDerWaalsContact C-N 3.29Å; D221-F223 PolarHBondContact O-N 3.21Å; D221-F223 WeakPolarHBondContact OD1-CA 2.98Å; D221-F223 PolarHBondContact OD1-N 2.87Å; F223-N225 VanDerWaalsContact C-N 3.33Å; F223-N225 PolarHBondContact O-N 3.23Å |
| 224 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.1 | -32.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S183 L218 D221 Y226 V227 I228 | S183-G224 VanDerWaalsContact O-CA 3.25Å; S183-G224 WeakPolarHBondContact O-CA 3.28Å; S183-G224 PolarHBondContact O-N 3.1Å; L218-G224 CarbonylContact O-C 3.22Å; D221-G224 PolarHBondContact OD1-N 2.9Å; G224-Y226 PolarHBondContact O-N 2.95Å; G224-Y226 VanDerWaalsContact O-N 3.09Å; G224-V227 WeakPolarHBondContact O-CB 3.32Å; G224-V227 PolarHBondContact O-N 3.31Å; G224-I228 PolarHBondContact O-N 2.81Å |
| 225 | N | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.6 | -33 | -176.4 | 71.1 | 94.9 | 0 | 0 | 0 | 112.3 | L218 D221 V222 F223 I228 Q229 V263 | L218-N225 VanDerWaalsContact O-CA 3.3Å; L218-N225 WeakPolarHBondContact O-CA 3.34Å; L218-N225 PolarHBondContact O-N 3.15Å; D221-N225 WeakPolarHBondContact O-CB 3.44Å; D221-N225 PolarHBondContact O-N 3.06Å; D221-N225 PolarHBondContact O-ND2 3.08Å; V222-N225 PolarHBondContact O-ND2 2.78Å; V222-N225 VanDerWaalsContact O-ND2 3.11Å; F223-N225 VanDerWaalsContact C-N 3.33Å; F223-N225 PolarHBondContact O-N 3.23Å; N225-I228 PolarHBondContact O-N 3.01Å; N225-Q229 WeakPolarHBondContact O-CG 3.4Å; N225-Q229 PolarHBondContact O-N 3.29Å; N225-Q229 PolarHBondContact O-NE2 2.84Å; N225-Q229 PolarHBondContact OD1-NE2 3.02Å; N225-V263 HydrophobicContact CB-CG2 4.05Å |
| 226 | Y | 98.7 | Very high | 98.1 | Very high | 80 Ų | 80 | 31.7 Ų | 31.7 | 31% | 0.314 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -71.6 | -29.9 | 178.8 | -61.2 | -76.7 | 0 | 0 | 0 | 112.9 | Q193 V222 G224 K230 R262 | Q193-Y226 VanDerWaalsContact CD-CB 3.48Å; Q193-Y226 VanDerWaalsContact NE2-CB 3.3Å; V222-Y226 WeakPolarHBondContact O-CE2 3.49Å; G224-Y226 PolarHBondContact O-N 2.95Å; G224-Y226 VanDerWaalsContact O-N 3.09Å; Y226-K230 WeakPolarHBondContact O-CG 3.4Å; Y226-K230 PolarHBondContact O-N 3.26Å; Y226-R262 PolarHBondContact OH-NH1 2.95Å |
| 227 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.8 | -44.9 | 174.8 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | I192 L196 I211 G224 Q229 K230 F231 | I192-V227 HydrophobicContact CB-CG2 4.4Å; I192-V227 HydrophobicContact CG2-CG1 3.82Å; I192-V227 HydrophobicContact CG2-CG2 4.03Å; L196-V227 HydrophobicContact CD1-CG1 4.25Å; I211-V227 HydrophobicContact CD1-CG1 4.36Å; I211-V227 HydrophobicContact CG2-CG1 4.41Å; G224-V227 WeakPolarHBondContact O-CB 3.32Å; G224-V227 PolarHBondContact O-N 3.31Å; V227-Q229 PolarHBondContact O-N 3.4Å; V227-K230 PolarHBondContact O-N 3.17Å; V227-K230 VanDerWaalsContact O-N 3.14Å; V227-F231 HydrophobicContact CG1-CD2 4.36Å; V227-F231 HydrophobicContact CG1-CE2 4.27Å; V227-F231 WeakPolarHBondContact O-CD2 3.31Å; V227-F231 PolarHBondContact O-N 3.16Å |
| 228 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | 174.8 | -50.9 | -58 | 0 | 0 | 0 | 111 | I211 L218 M219 G224 N225 K230 F231 F232 L243 V263 | I211-I228 HydrophobicContact CD1-CD1 4.13Å; L218-I228 HydrophobicContact CB-CD1 3.93Å; L218-I228 HydrophobicContact CB-CG1 3.95Å; L218-I228 HydrophobicContact CD1-CD1 4.34Å; M219-I228 HydrophobicContact CE-CG2 4.09Å; M219-I228 HydrophobicContact CG-CB 4.39Å; M219-I228 HydrophobicContact CG-CG1 4.05Å; M219-I228 HydrophobicContact CG-CG2 3.98Å; G224-I228 PolarHBondContact O-N 2.81Å; N225-I228 PolarHBondContact O-N 3.01Å; I228-K230 VanDerWaalsContact C-N 3.31Å; I228-K230 PolarHBondContact O-N 2.9Å; I228-F231 PolarHBondContact O-N 3.3Å; I228-F231 VanDerWaalsContact O-N 3.09Å; I228-F232 HydrophobicContact CG2-CD2 4.08Å; I228-F232 HydrophobicContact CG2-CE2 3.92Å; I228-F232 PolarHBondContact O-N 2.9Å; I228-L243 HydrophobicContact CG2-CD1 4.12Å; I228-L243 HydrophobicContact CG2-CD2 4.24Å; I228-V263 HydrophobicContact CB-CG1 4.41Å; I228-V263 HydrophobicContact CB-CG2 4.47Å; I228-V263 HydrophobicContact CG2-CG1 3.69Å |
| 229 | Q | 98.6 | Very high | 97.9 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -37.8 | 174.2 | -79.1 | 162.5 | 79.9 | 0 | 0 | 112.8 | N225 V227 F231 F232 E233 V263 K266 | N225-Q229 WeakPolarHBondContact O-CG 3.4Å; N225-Q229 PolarHBondContact O-N 3.29Å; N225-Q229 PolarHBondContact O-NE2 2.84Å; N225-Q229 PolarHBondContact OD1-NE2 3.02Å; V227-Q229 PolarHBondContact O-N 3.4Å; Q229-F231 VanDerWaalsContact C-N 3.31Å; Q229-F231 PolarHBondContact O-N 3.32Å; Q229-F232 PolarHBondContact O-N 3.38Å; Q229-E233 WeakPolarHBondContact O-CB 3.4Å; Q229-E233 PolarHBondContact O-N 2.97Å; Q229-V263 HydrophobicContact CG-CG2 4.38Å; Q229-K266 HydrophobicContact CB-CB 4.42Å; Q229-K266 HydrophobicContact CB-CG 4.12Å; Q229-K266 HydrophobicContact CG-CB 3.8Å; Q229-K266 HydrophobicContact CG-CG 4.06Å |
| 230 | K | 98.4 | Very high | 97.8 | Very high | 40 Ų | 40 | 40 Ų | 40 | 17% | 0.174 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.9 | -23.5 | 175.7 | -75 | -72.4 | 168.4 | -171.4 | 0 | 113.7 | Q193 L196 E197 Y226 V227 I228 E233 F234 | Q193-K230 HydrophobicContact CB-CG 4.32Å; Q193-K230 HydrophobicContact CG-CG 4.14Å; L196-K230 HydrophobicContact CD1-CB 4.11Å; E197-K230 WeakPolarHBondContact OE1-CE 3.48Å; E197-K230 IonicContact OE1-NZ 3.88Å; E197-K230 PolarHBondContact OE1-NZ 2.87Å; Y226-K230 WeakPolarHBondContact O-CG 3.4Å; Y226-K230 PolarHBondContact O-N 3.26Å; V227-K230 PolarHBondContact O-N 3.17Å; V227-K230 VanDerWaalsContact O-N 3.14Å; I228-K230 VanDerWaalsContact C-N 3.31Å; I228-K230 PolarHBondContact O-N 2.9Å; K230-E233 WeakPolarHBondContact CE-OE2 3.32Å; K230-E233 IonicContact NZ-OE2 3.93Å; K230-E233 PolarHBondContact NZ-OE2 2.84Å; K230-F234 HydrophobicContact CD-CD2 3.82Å; K230-F234 HydrophobicContact CD-CE2 3.69Å; K230-F234 PolarHBondContact O-N 3.12Å |
| 231 | F | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -79 | -36.5 | 168.9 | -83.8 | -79.6 | 0 | 0 | 0 | 113.1 | L196 K204 V207 F208 I211 V227 I228 Q229 E233 G235 L243 | L196-F231 HydrophobicContact CD1-CD2 4.1Å; L196-F231 HydrophobicContact CD1-CE2 3.62Å; L196-F231 HydrophobicContact CD1-CZ 4.22Å; L196-F231 HydrophobicContact CD2-CE1 4.32Å; L196-F231 HydrophobicContact CD2-CE2 3.89Å; L196-F231 HydrophobicContact CD2-CZ 3.6Å; L196-F231 HydrophobicContact CG-CE2 4.44Å; K204-F231 HydrophobicContact CB-CE1 4.27Å; K204-F231 WeakPolarHBondContact O-CE1 3.35Å; K204-F231 WeakPolarHBondContact O-CZ 3.34Å; V207-F231 HydrophobicContact CB-CZ 4.04Å; V207-F231 HydrophobicContact CG1-CE2 3.78Å; V207-F231 HydrophobicContact CG1-CZ 3.8Å; F208-F231 HydrophobicContact CB-CD1 4.46Å; F208-F231 HydrophobicContact CB-CE1 3.76Å; F208-F231 HydrophobicContact CB-CZ 4.01Å; F208-F231 AromaticContact CD2-CD1 3.56Å; F208-F231 HydrophobicContact CD2-CD1 3.56Å; F208-F231 AromaticContact CD2-CE1 3.73Å; F208-F231 HydrophobicContact CD2-CE1 3.73Å; F208-F231 HydrophobicContact CD2-CG 4Å; F208-F231 HydrophobicContact CD2-CZ 4.31Å; F208-F231 HydrophobicContact CE2-CD1 4.29Å; F208-F231 HydrophobicContact CG-CD1 4.44Å; F208-F231 HydrophobicContact CG-CE1 4.21Å; I211-F231 HydrophobicContact CD1-CD2 3.37Å; I211-F231 HydrophobicContact CD1-CE2 3.38Å; I211-F231 HydrophobicContact CD1-CG 4.19Å; I211-F231 HydrophobicContact CD1-CZ 4.2Å; V227-F231 HydrophobicContact CG1-CD2 4.36Å; V227-F231 HydrophobicContact CG1-CE2 4.27Å; V227-F231 WeakPolarHBondContact O-CD2 3.31Å; V227-F231 PolarHBondContact O-N 3.16Å; I228-F231 PolarHBondContact O-N 3.3Å; I228-F231 VanDerWaalsContact O-N 3.09Å; Q229-F231 VanDerWaalsContact C-N 3.31Å; Q229-F231 PolarHBondContact O-N 3.32Å; F231-E233 PolarHBondContact O-N 3.29Å; F231-G235 WeakPolarHBondContact O-CA 3.25Å; F231-G235 PolarHBondContact O-N 2.96Å; F231-L243 HydrophobicContact CB-CD1 3.62Å |
| 232 | F | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.8 | -34.8 | 166.5 | -80 | -65.4 | 0 | 0 | 0 | 111.9 | I228 Q229 K240 L243 V247 V263 K266 A267 S270 I271 | I228-F232 HydrophobicContact CG2-CD2 4.08Å; I228-F232 HydrophobicContact CG2-CE2 3.92Å; I228-F232 PolarHBondContact O-N 2.9Å; Q229-F232 PolarHBondContact O-N 3.38Å; F232-K240 HydrophobicContact CD1-CB 4.49Å; F232-K240 WeakPolarHBondContact O-CD 3.35Å; F232-K240 WeakPolarHBondContact O-CE 3.36Å; F232-K240 PolarHBondContact O-NZ 3.15Å; F232-L243 HydrophobicContact CD2-CD1 4.36Å; F232-L243 HydrophobicContact CE1-CB 3.95Å; F232-L243 HydrophobicContact CE2-CB 3.94Å; F232-L243 HydrophobicContact CE2-CD1 4.21Å; F232-L243 HydrophobicContact CZ-CB 3.47Å; F232-L243 VanDerWaalsContact CZ-CB 3.47Å; F232-L243 HydrophobicContact CZ-CD1 4.43Å; F232-V247 HydrophobicContact CZ-CG2 4.42Å; F232-V263 HydrophobicContact CD2-CG1 4.03Å; F232-V263 HydrophobicContact CE2-CG1 3.65Å; F232-K266 HydrophobicContact CB-CG 4.08Å; F232-A267 HydrophobicContact CD1-CB 3.96Å; F232-A267 HydrophobicContact CD2-CB 4.25Å; F232-A267 HydrophobicContact CE1-CB 3.65Å; F232-A267 HydrophobicContact CE2-CB 3.95Å; F232-A267 HydrophobicContact CG-CB 4.25Å; F232-A267 HydrophobicContact CZ-CB 3.64Å; F232-S270 WeakPolarHBondContact O-CB 3.44Å; F232-S270 PolarHBondContact O-OG 3.04Å; F232-I271 HydrophobicContact CD1-CG2 3.95Å; F232-I271 HydrophobicContact CE1-CG2 3.76Å |
| 233 | E | 97.3 | Very high | 97.4 | Very high | 64 Ų | 64 | 38.5 Ų | 38.5 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -73.1 | -60.9 | 176.7 | -164.9 | 157 | -104.9 | 0 | 0 | 112.7 | Q229 K230 F231 K240 K266 | Q229-E233 WeakPolarHBondContact O-CB 3.4Å; Q229-E233 PolarHBondContact O-N 2.97Å; K230-E233 WeakPolarHBondContact CE-OE2 3.32Å; K230-E233 IonicContact NZ-OE2 3.93Å; K230-E233 PolarHBondContact NZ-OE2 2.84Å; F231-E233 PolarHBondContact O-N 3.29Å; E233-K240 PolarHBondContact O-NZ 2.97Å; E233-K240 VanDerWaalsContact O-NZ 3.16Å; E233-K266 WeakPolarHBondContact OE1-CE 3.49Å; E233-K266 IonicContact OE1-NZ 2.73Å; E233-K266 PolarHBondContact OE1-NZ 2.65Å |
| 234 | F | 96.2 | Very high | 97.2 | Very high | 80 Ų | 80 | 36.1 Ų | 36.1 | 35% | 0.351 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -114.2 | 6.8 | -167.3 | -57.2 | -64.8 | 0 | 0 | 0 | 115.7 | E197 K204 K230 | E197-F234 HydrophobicContact CB-CE2 4.25Å; E197-F234 HydrophobicContact CG-CD2 4.21Å; E197-F234 HydrophobicContact CG-CE2 3.68Å; E197-F234 HydrophobicContact CG-CZ 4.34Å; K204-F234 PolarHBondContact NZ-O 3.23Å; K230-F234 HydrophobicContact CD-CD2 3.82Å; K230-F234 HydrophobicContact CD-CE2 3.69Å; K230-F234 PolarHBondContact O-N 3.12Å |
| 235 | G | 96.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -74.4 | 163.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F231 K240 | F231-G235 WeakPolarHBondContact O-CA 3.25Å; F231-G235 PolarHBondContact O-N 2.96Å; G235-K240 VanDerWaalsContact O-CE 3.23Å; G235-K240 WeakPolarHBondContact O-CE 3.42Å |
| 236 | T | 96.2 | Very high | 96.5 | Very high | 50 Ų | 50 | 45 Ų | 45 | 31% | 0.307 | 23% | 0.229 | S | C | . | . | trans | -66.8 | 158.6 | 172.5 | 67.4 | 0 | 0 | 0 | 0 | 110.9 | E238 Q239 K240 | T236-E238 PolarHBondContact O-N 3.43Å; T236-Q239 WeakPolarHBondContact O-CB 3.37Å; T236-Q239 PolarHBondContact O-N 2.95Å; T236-Q239 VanDerWaalsContact OG1-CG 3.29Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.43Å; T236-Q239 PolarHBondContact OG1-N 3.17Å; T236-K240 WeakPolarHBondContact O-CG 3.43Å; T236-K240 PolarHBondContact O-N 2.81Å | ||
| 237 | P | 95.2 | Very high | 96.3 | Very high | 111 Ų | 111 | 41.2 Ų | 41.2 | 72% | 0.721 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -53.1 | -36.8 | 174.8 | -27.6 | 36.1 | 0 | 0 | 0 | 113.2 | K240 N241 | P237-K240 PolarHBondContact O-N 3.04Å; P237-N241 VanDerWaalsContact O-CB 3.23Å; P237-N241 WeakPolarHBondContact O-CB 3.44Å; P237-N241 PolarHBondContact O-N 2.93Å |
| 238 | E | 96.2 | Very high | 95.9 | Very high | 141 Ų | 141 | 46.3 Ų | 46.3 | 66% | 0.659 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.6 | -43.7 | 174.1 | -177.2 | -179.4 | -163.1 | 0 | 0 | 112.9 | T236 N241 T242 | T236-E238 PolarHBondContact O-N 3.43Å; E238-N241 PolarHBondContact O-N 2.97Å; E238-T242 VanDerWaalsContact O-CB 3.3Å; E238-T242 WeakPolarHBondContact O-CB 3.43Å; E238-T242 PolarHBondContact O-N 2.86Å; E238-T242 PolarHBondContact O-OG1 2.96Å |
| 239 | Q | 97.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65 | -42.3 | 175.6 | -71.8 | 167.6 | -7.4 | 0 | 0 | 111.4 | F208 T236 T242 L243 | F208-Q239 HydrophobicContact CD1-CG 3.9Å; F208-Q239 HydrophobicContact CD2-CB 3.97Å; F208-Q239 HydrophobicContact CD2-CG 3.85Å; F208-Q239 HydrophobicContact CE1-CB 4.33Å; F208-Q239 HydrophobicContact CE1-CG 4.02Å; F208-Q239 HydrophobicContact CE2-CB 3.66Å; F208-Q239 HydrophobicContact CE2-CG 3.96Å; F208-Q239 HydrophobicContact CG-CB 4.42Å; F208-Q239 HydrophobicContact CG-CG 3.81Å; F208-Q239 HydrophobicContact CZ-CB 3.87Å; F208-Q239 HydrophobicContact CZ-CG 4.06Å; F208-Q239 WeakPolarHBondContact CZ-O 3.49Å; T236-Q239 WeakPolarHBondContact O-CB 3.37Å; T236-Q239 PolarHBondContact O-N 2.95Å; T236-Q239 VanDerWaalsContact OG1-CG 3.29Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.43Å; T236-Q239 PolarHBondContact OG1-N 3.17Å; Q239-T242 PolarHBondContact O-N 3.44Å; Q239-L243 PolarHBondContact O-N 3.29Å |
| 240 | K | 97.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 175.8 | -60.9 | -169.7 | -165.6 | -156.7 | 0 | 111.6 | F232 E233 G235 T236 P237 T242 L243 G244 S270 | F232-K240 HydrophobicContact CD1-CB 4.49Å; F232-K240 WeakPolarHBondContact O-CD 3.35Å; F232-K240 WeakPolarHBondContact O-CE 3.36Å; F232-K240 PolarHBondContact O-NZ 3.15Å; E233-K240 PolarHBondContact O-NZ 2.97Å; E233-K240 VanDerWaalsContact O-NZ 3.16Å; G235-K240 VanDerWaalsContact O-CE 3.23Å; G235-K240 WeakPolarHBondContact O-CE 3.42Å; T236-K240 WeakPolarHBondContact O-CG 3.43Å; T236-K240 PolarHBondContact O-N 2.81Å; P237-K240 PolarHBondContact O-N 3.04Å; K240-T242 VanDerWaalsContact C-N 3.33Å; K240-T242 PolarHBondContact O-N 3.45Å; K240-L243 PolarHBondContact O-N 3.36Å; K240-G244 PolarHBondContact O-N 2.97Å; K240-S270 VanDerWaalsContact CD-O 3.26Å; K240-S270 WeakPolarHBondContact CD-O 3.35Å |
| 241 | N | 94.3 | Very high | 95.6 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 175.3 | 175.9 | 60.4 | 0 | 0 | 0 | 111.8 | P237 E238 L243 G244 M245 Q275 | P237-N241 VanDerWaalsContact O-CB 3.23Å; P237-N241 WeakPolarHBondContact O-CB 3.44Å; P237-N241 PolarHBondContact O-N 2.93Å; E238-N241 PolarHBondContact O-N 2.97Å; N241-L243 PolarHBondContact O-N 3.11Å; N241-G244 WeakPolarHBondContact O-CA 3.1Å; N241-G244 PolarHBondContact O-N 3.05Å; N241-G244 VanDerWaalsContact O-N 3.14Å; N241-M245 PolarHBondContact O-N 3.21Å; N241-Q275 PolarHBondContact OD1-NE2 3.32Å |
| 242 | T | 96.5 | Very high | 95.6 | Very high | 30 Ų | 30 | 51 Ų | 51 | 18% | 0.184 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 178.9 | -57 | 0 | 0 | 0 | 0 | 112 | F208 L212 E238 Q239 K240 M245 Q246 | F208-T242 HydrophobicContact CE1-CG2 4.08Å; F208-T242 HydrophobicContact CZ-CG2 4.06Å; L212-T242 HydrophobicContact CD1-CG2 3.78Å; L212-T242 HydrophobicContact CD2-CG2 3.89Å; E238-T242 VanDerWaalsContact O-CB 3.3Å; E238-T242 WeakPolarHBondContact O-CB 3.43Å; E238-T242 PolarHBondContact O-N 2.86Å; E238-T242 PolarHBondContact O-OG1 2.96Å; Q239-T242 PolarHBondContact O-N 3.44Å; K240-T242 VanDerWaalsContact C-N 3.33Å; K240-T242 PolarHBondContact O-N 3.45Å; T242-M245 PolarHBondContact O-N 3.05Å; T242-Q246 PolarHBondContact O-N 3.1Å |
| 243 | L | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.2 | -34.4 | 170.5 | -72 | 172.2 | 0 | 0 | 0 | 112.7 | F208 A215 M219 I228 F231 F232 Q239 K240 N241 M245 Q246 V247 | F208-L243 HydrophobicContact CE2-CD1 3.9Å; F208-L243 HydrophobicContact CE2-CD2 4.22Å; F208-L243 HydrophobicContact CE2-CG 3.75Å; F208-L243 HydrophobicContact CZ-CG 4.1Å; A215-L243 HydrophobicContact CB-CD2 4.18Å; M219-L243 HydrophobicContact CE-CD2 4.27Å; I228-L243 HydrophobicContact CG2-CD1 4.12Å; I228-L243 HydrophobicContact CG2-CD2 4.24Å; F231-L243 HydrophobicContact CB-CD1 3.62Å; F232-L243 HydrophobicContact CD2-CD1 4.36Å; F232-L243 HydrophobicContact CE1-CB 3.95Å; F232-L243 HydrophobicContact CE2-CB 3.94Å; F232-L243 HydrophobicContact CE2-CD1 4.21Å; F232-L243 HydrophobicContact CZ-CB 3.47Å; F232-L243 VanDerWaalsContact CZ-CB 3.47Å; F232-L243 HydrophobicContact CZ-CD1 4.43Å; Q239-L243 PolarHBondContact O-N 3.29Å; K240-L243 PolarHBondContact O-N 3.36Å; N241-L243 PolarHBondContact O-N 3.11Å; L243-M245 VanDerWaalsContact C-N 3.32Å; L243-M245 PolarHBondContact O-N 2.97Å; L243-Q246 WeakPolarHBondContact O-CB 3.34Å; L243-Q246 PolarHBondContact O-N 3.03Å; L243-V247 WeakPolarHBondContact O-CG2 3.36Å; L243-V247 PolarHBondContact O-N 2.85Å |
| 244 | G | 93 | Very high | 95.7 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 8% | 0.082 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.1 | -44.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | K240 N241 Q246 V247 K248 | K240-G244 PolarHBondContact O-N 2.97Å; N241-G244 WeakPolarHBondContact O-CA 3.1Å; N241-G244 PolarHBondContact O-N 3.05Å; N241-G244 VanDerWaalsContact O-N 3.14Å; G244-Q246 PolarHBondContact O-N 3.12Å; G244-V247 WeakPolarHBondContact O-CB 3.46Å; G244-V247 PolarHBondContact O-N 2.91Å; G244-V247 VanDerWaalsContact O-N 3.09Å; G244-K248 PolarHBondContact O-N 3.13Å |
| 245 | M | 90.2 | Very high | 95.8 | Very high | 108 Ų | 108 | 49.9 Ų | 49.9 | 53% | 0.532 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.5 | -21.7 | 173.8 | -66.2 | -170.8 | -67.3 | 0 | 0 | 114.1 | N241 T242 L243 | N241-M245 PolarHBondContact O-N 3.21Å; T242-M245 PolarHBondContact O-N 3.05Å; L243-M245 VanDerWaalsContact C-N 3.32Å; L243-M245 PolarHBondContact O-N 2.97Å |
| 246 | Q | 93.5 | Very high | 95.9 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -85.5 | -19.2 | 171.9 | -67 | -65.7 | -72.7 | 0 | 0 | 113.5 | L212 A215 M219 T242 L243 G244 | L212-Q246 HydrophobicContact CD1-CG 3.8Å; A215-Q246 HydrophobicContact CB-CB 4.47Å; A215-Q246 HydrophobicContact CB-CG 4.36Å; M219-Q246 HydrophobicContact CE-CB 4.19Å; T242-Q246 PolarHBondContact O-N 3.1Å; L243-Q246 WeakPolarHBondContact O-CB 3.34Å; L243-Q246 PolarHBondContact O-N 3.03Å; G244-Q246 PolarHBondContact O-N 3.12Å |
| 247 | V | 94.3 | Very high | 96 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -81.7 | -32.6 | 172.7 | 164.1 | 0 | 0 | 0 | 0 | 111.3 | M219 F232 L243 G244 H250 V251 L254 I264 I279 | M219-V247 HydrophobicContact CE-CG2 3.72Å; M219-V247 HydrophobicContact SD-CG2 3.84Å; F232-V247 HydrophobicContact CZ-CG2 4.42Å; L243-V247 WeakPolarHBondContact O-CG2 3.36Å; L243-V247 PolarHBondContact O-N 2.85Å; G244-V247 WeakPolarHBondContact O-CB 3.46Å; G244-V247 PolarHBondContact O-N 2.91Å; G244-V247 VanDerWaalsContact O-N 3.09Å; V247-H250 CarbonylContact O-C 3.18Å; V247-H250 WeakPolarHBondContact O-CA 3.27Å; V247-H250 WeakPolarHBondContact O-CB 3.5Å; V247-H250 PolarHBondContact O-N 3.23Å; V247-V251 HydrophobicContact CG1-CG2 3.63Å; V247-V251 PolarHBondContact O-N 3.21Å; V247-L254 HydrophobicContact CG1-CD1 4.4Å; V247-L254 HydrophobicContact CG2-CD1 4.22Å; V247-I264 HydrophobicContact CB-CD1 4.47Å; V247-I264 HydrophobicContact CG1-CD1 3.39Å; V247-I264 HydrophobicContact CG2-CD1 4.26Å; V247-I279 HydrophobicContact CG1-CD1 3.9Å; V247-I279 HydrophobicContact CG1-CG1 4.12Å |
| 248 | K | 90.4 | Very high | 96.1 | Very high | 108 Ų | 108 | 51.1 Ų | 51.1 | 47% | 0.47 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 135.5 | -177.8 | -166.6 | 169.9 | -172.7 | 167.5 | 0 | 112.6 | G244 H250 E278 E282 | G244-K248 PolarHBondContact O-N 3.13Å; K248-H250 PolarHBondContact O-N 3.43Å; K248-E278 WeakPolarHBondContact CE-OE2 3.32Å; K248-E278 IonicContact NZ-OE1 3.71Å; K248-E278 IonicContact NZ-OE2 3.96Å; K248-E278 PolarHBondContact NZ-OE2 3.02Å; K248-E282 VanDerWaalsContact CA-OE1 3.31Å; K248-E282 WeakPolarHBondContact CA-OE1 3.25Å; K248-E282 WeakPolarHBondContact CG-OE1 3.29Å |
| 249 | G | 94.2 | Very high | 96.2 | Very high | 60 Ų | 60 | 46.8 Ų | 46.8 | 62% | 0.619 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80 | -3.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E282 | G249-E282 WeakPolarHBondContact CA-OE2 3.37Å; G249-E282 VanDerWaalsContact N-CD 3.26Å; G249-E282 PolarHBondContact N-OE1 3.41Å; G249-E282 PolarHBondContact N-OE2 3.39Å; G249-E282 VanDerWaalsContact N-OE2 3.12Å |
| 250 | H | 97.3 | Very high | 96.3 | Very high | 82 Ų | 82 | 46.6 Ų | 46.6 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | trans | -130.2 | 5.2 | -175.2 | -60.5 | -64 | 0 | 0 | 0 | 113.7 | Y216 V247 K248 L252 Q253 L254 E282 | Y216-H250 HydrophobicContact CD2-CB 4.35Å; Y216-H250 HydrophobicContact CE2-CB 3.86Å; V247-H250 CarbonylContact O-C 3.18Å; V247-H250 WeakPolarHBondContact O-CA 3.27Å; V247-H250 WeakPolarHBondContact O-CB 3.5Å; V247-H250 PolarHBondContact O-N 3.23Å; K248-H250 PolarHBondContact O-N 3.43Å; H250-L252 PolarHBondContact O-N 3.49Å; H250-Q253 PolarHBondContact O-N 3.22Å; H250-Q253 VanDerWaalsContact O-N 3.09Å; H250-L254 HydrophobicContact CB-CD1 4.26Å; H250-L254 PolarHBondContact O-N 3.49Å; H250-E282 PolarHBondContact N-OE2 2.99Å | ||
| 251 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -47 | -171.5 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | V247 Q253 L254 A255 I264 I279 E282 L283 | V247-V251 HydrophobicContact CG1-CG2 3.63Å; V247-V251 PolarHBondContact O-N 3.21Å; V251-Q253 VanDerWaalsContact C-N 3.29Å; V251-Q253 PolarHBondContact O-N 3.02Å; V251-L254 PolarHBondContact O-N 3.41Å; V251-A255 WeakPolarHBondContact O-CB 3.43Å; V251-A255 PolarHBondContact O-N 3.5Å; V251-I264 HydrophobicContact CG1-CD1 4.43Å; V251-I264 HydrophobicContact CG1-CG2 4.45Å; V251-I279 HydrophobicContact CG1-CG2 3.79Å; V251-I279 HydrophobicContact CG2-CB 4.24Å; V251-I279 HydrophobicContact CG2-CG1 4.19Å; V251-I279 HydrophobicContact CG2-CG2 3.93Å; V251-E282 HydrophobicContact CB-CB 3.76Å; V251-E282 HydrophobicContact CB-CG 4.44Å; V251-E282 WeakPolarHBondContact CB-OE2 3.34Å; V251-E282 HydrophobicContact CG1-CB 4.42Å; V251-E282 HydrophobicContact CG2-CB 4.05Å; V251-E282 VanDerWaalsContact CG2-CD 3.47Å; V251-E282 HydrophobicContact CG2-CG 4.29Å; V251-E282 VanDerWaalsContact CG2-OE2 3.27Å; V251-E282 WeakPolarHBondContact CG2-OE2 3.49Å; V251-E282 PolarHBondContact N-OE2 3Å; V251-L283 HydrophobicContact CG1-CD2 3.92Å; V251-L283 HydrophobicContact CG1-CG 4.18Å |
| 252 | L | 98.3 | Very high | 96.5 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 18% | 0.183 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.3 | -40.4 | 178.7 | -179.5 | 68.1 | 0 | 0 | 0 | 112.3 | H250 L256 L283 H286 C290 | H250-L252 PolarHBondContact O-N 3.49Å; L252-L256 HydrophobicContact CD1-CD1 4.01Å; L252-L256 HydrophobicContact CD1-CG 4.46Å; L252-L256 HydrophobicContact CG-CD1 4.16Å; L252-L256 VanDerWaalsContact O-CG 3.31Å; L252-L256 WeakPolarHBondContact O-CG 3.46Å; L252-L256 PolarHBondContact O-N 2.89Å; L252-L283 HydrophobicContact CD1-CD2 4.44Å; L252-H286 HydrophobicContact CD1-CB 3.78Å; L252-H286 HydrophobicContact CD2-CB 4.47Å; L252-H286 VanDerWaalsContact CD2-CD2 3.46Å; L252-H286 WeakPolarHBondContact CD2-CD2 3.46Å; L252-C290 VanDerWaalsContact CD1-SG 3.58Å |
| 253 | Q | 98.4 | Very high | 96.6 | Very high | 119 Ų | 119 | 45.5 Ų | 45.5 | 56% | 0.556 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -69.9 | -41.4 | -178.7 | -172.4 | 173.6 | -5.3 | 0 | 0 | 111.1 | Y216 H250 V251 | Y216-Q253 WeakPolarHBondContact OH-CG 3.39Å; Y216-Q253 PolarHBondContact OH-NE2 3.04Å; Y216-Q253 VanDerWaalsContact OH-NE2 3.13Å; Y216-Q253 PolarHBondContact OH-OE1 3.08Å; H250-Q253 PolarHBondContact O-N 3.22Å; H250-Q253 VanDerWaalsContact O-N 3.09Å; V251-Q253 VanDerWaalsContact C-N 3.29Å; V251-Q253 PolarHBondContact O-N 3.02Å |
| 254 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.5 | -41.8 | 175.6 | -70.1 | 169.4 | 0 | 0 | 0 | 112 | Y216 M219 T220 V247 H250 V251 L256 Q257 G260 C261 I264 | Y216-L254 HydrophobicContact CD2-CD1 4.39Å; Y216-L254 HydrophobicContact CD2-CD2 4.16Å; Y216-L254 HydrophobicContact CD2-CG 4.47Å; Y216-L254 HydrophobicContact CE2-CD1 4.14Å; Y216-L254 HydrophobicContact CE2-CD2 3.62Å; Y216-L254 HydrophobicContact CE2-CG 3.8Å; M219-L254 HydrophobicContact CB-CD2 3.91Å; M219-L254 HydrophobicContact SD-CD1 3.81Å; M219-L254 HydrophobicContact SD-CD2 4.35Å; T220-L254 HydrophobicContact CG2-CD2 3.84Å; V247-L254 HydrophobicContact CG1-CD1 4.4Å; V247-L254 HydrophobicContact CG2-CD1 4.22Å; H250-L254 HydrophobicContact CB-CD1 4.26Å; H250-L254 PolarHBondContact O-N 3.49Å; V251-L254 PolarHBondContact O-N 3.41Å; L254-L256 VanDerWaalsContact C-N 3.27Å; L254-L256 PolarHBondContact O-N 3.47Å; L254-Q257 PolarHBondContact O-N 2.9Å; L254-G260 CarbonylContact O-C 3.42Å; L254-C261 PolarHBondContact O-N 3.22Å; L254-I264 HydrophobicContact CB-CD1 3.83Å; L254-I264 HydrophobicContact CB-CG1 3.74Å; L254-I264 HydrophobicContact CD1-CD1 3.9Å |
| 255 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -32.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V251 Q257 C261 L283 N295 G296 V299 | V251-A255 WeakPolarHBondContact O-CB 3.43Å; V251-A255 PolarHBondContact O-N 3.5Å; A255-Q257 VanDerWaalsContact C-N 3.34Å; A255-C261 WeakPolarHBondContact O-CB 3.42Å; A255-L283 HydrophobicContact CB-CD2 4.39Å; A255-N295 CarbonylContact O-C 3.55Å; A255-N295 WeakPolarHBondContact O-CB 3.49Å; A255-G296 WeakPolarHBondContact O-CA 3.49Å; A255-G296 PolarHBondContact O-N 3.26Å; A255-V299 HydrophobicContact CB-CB 4.14Å; A255-V299 HydrophobicContact CB-CG1 4.12Å; A255-V299 HydrophobicContact CB-CG2 3.85Å |
| 256 | L | 98.5 | Very high | 97.4 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -3.5 | 176.2 | -61.5 | 171.8 | 0 | 0 | 0 | 113.2 | L252 L254 K289 D293 N295 | L252-L256 HydrophobicContact CD1-CD1 4.01Å; L252-L256 HydrophobicContact CD1-CG 4.46Å; L252-L256 HydrophobicContact CG-CD1 4.16Å; L252-L256 VanDerWaalsContact O-CG 3.31Å; L252-L256 WeakPolarHBondContact O-CG 3.46Å; L252-L256 PolarHBondContact O-N 2.89Å; L254-L256 VanDerWaalsContact C-N 3.27Å; L254-L256 PolarHBondContact O-N 3.47Å; L256-K289 HydrophobicContact CD1-CD 4.21Å; L256-D293 HydrophobicContact CD2-CB 3.55Å; L256-D293 WeakPolarHBondContact CD2-OD1 3.47Å; L256-N295 PolarHBondContact O-ND2 2.94Å |
| 257 | Q | 98.6 | Very high | 97.6 | Very high | 56 Ų | 56 | 40 Ų | 40 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -102 | 136.5 | -176.7 | -153.8 | -85.9 | 1.6 | 0 | 0 | 111.4 | T220 L254 A255 Y259 G260 C261 | T220-Q257 HydrophobicContact CG2-CG 4.31Å; T220-Q257 PolarHBondContact O-NE2 2.86Å; L254-Q257 PolarHBondContact O-N 2.9Å; A255-Q257 VanDerWaalsContact C-N 3.34Å; Q257-Y259 PolarHBondContact O-N 3.2Å; Q257-Y259 VanDerWaalsContact O-N 3.09Å; Q257-G260 PolarHBondContact O-N 2.99Å; Q257-C261 VanDerWaalsContact O-CB 3.27Å; Q257-C261 WeakPolarHBondContact O-CB 3.15Å; Q257-C261 PolarHBondContact O-N 3.3Å; Q257-C261 PolarHBondContact O-SG 3.45Å; Q257-C261 VanDerWaalsContact O-SG 3.36Å |
| 258 | M | 97.4 | Very high | 97.7 | Very high | 101 Ų | 101 | 40 Ų | 40 | 50% | 0.498 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24 | -168.8 | 176.1 | 170.5 | 48.2 | 0 | 0 | 116.2 | R262 N295 | M258-R262 PolarHBondContact O-NE 3.11Å; M258-N295 WeakPolarHBondContact CA-OD1 3.45Å |
| 259 | Y | 98.5 | Very high | 98 | Very high | 50 Ų | 50 | 39.2 Ų | 39.2 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -40 | 177.2 | -51 | -63.7 | 0 | 0 | 0 | 111.1 | M219 T220 V222 Q257 C261 R262 V263 | M219-Y259 CarbonylContact O-C 3.45Å; T220-Y259 WeakPolarHBondContact O-CD2 3.34Å; V222-Y259 HydrophobicContact CB-CE1 4.12Å; V222-Y259 HydrophobicContact CB-CE2 3.87Å; V222-Y259 HydrophobicContact CG2-CE1 3.93Å; V222-Y259 HydrophobicContact CG2-CE2 4.43Å; V222-Y259 WeakPolarHBondContact CG2-OH 3.36Å; Q257-Y259 PolarHBondContact O-N 3.2Å; Q257-Y259 VanDerWaalsContact O-N 3.09Å; Y259-C261 VanDerWaalsContact C-N 3.27Å; Y259-C261 PolarHBondContact O-N 2.97Å; Y259-R262 VanDerWaalsContact O-CB 3.29Å; Y259-R262 WeakPolarHBondContact O-CB 3.41Å; Y259-R262 PolarHBondContact O-N 3.14Å; Y259-V263 PolarHBondContact O-N 3.42Å |
| 260 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.1 | -37.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M219 L254 Q257 R262 V263 I264 | M219-G260 WeakPolarHBondContact O-CA 3.5Å; M219-G260 PolarHBondContact O-N 3Å; L254-G260 CarbonylContact O-C 3.42Å; Q257-G260 PolarHBondContact O-N 2.99Å; G260-R262 PolarHBondContact O-N 3.13Å; G260-V263 WeakPolarHBondContact O-CA 3.5Å; G260-V263 WeakPolarHBondContact O-CB 3.32Å; G260-V263 PolarHBondContact O-N 3.39Å; G260-I264 PolarHBondContact O-N 3.22Å |
| 261 | C | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61 | -29 | 178.2 | 73.2 | 0 | 0 | 0 | 0 | 112.3 | L254 A255 Q257 Y259 Q265 N295 V299 | L254-C261 PolarHBondContact O-N 3.22Å; A255-C261 WeakPolarHBondContact O-CB 3.42Å; Q257-C261 VanDerWaalsContact O-CB 3.27Å; Q257-C261 WeakPolarHBondContact O-CB 3.15Å; Q257-C261 PolarHBondContact O-N 3.3Å; Q257-C261 PolarHBondContact O-SG 3.45Å; Q257-C261 VanDerWaalsContact O-SG 3.36Å; Y259-C261 VanDerWaalsContact C-N 3.27Å; Y259-C261 PolarHBondContact O-N 2.97Å; C261-Q265 WeakPolarHBondContact O-CB 3.47Å; C261-Q265 VanDerWaalsContact O-CG 3.28Å; C261-Q265 WeakPolarHBondContact O-CG 3.38Å; C261-Q265 PolarHBondContact O-N 3.19Å; C261-Q265 PolarHBondContact O-NE2 3.27Å; C261-N295 HydrophobicContact CB-CB 3.95Å; C261-V299 HydrophobicContact CB-CG2 3.96Å |
| 262 | R | 98.6 | Very high | 97.8 | Very high | 102 Ų | 102 | 36.9 Ų | 36.9 | 39% | 0.385 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -73.9 | -37.1 | 176.3 | -51.6 | 179.6 | 176.4 | -137.9 | -10.7 | 111.2 | Y226 M258 Y259 G260 K266 | Y226-R262 PolarHBondContact OH-NH1 2.95Å; M258-R262 PolarHBondContact O-NE 3.11Å; Y259-R262 VanDerWaalsContact O-CB 3.29Å; Y259-R262 WeakPolarHBondContact O-CB 3.41Å; Y259-R262 PolarHBondContact O-N 3.14Å; G260-R262 PolarHBondContact O-N 3.13Å; R262-K266 WeakPolarHBondContact O-CB 3.17Å; R262-K266 PolarHBondContact O-N 3.33Å |
| 263 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.6 | -46.6 | 173.4 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | M219 N225 I228 Q229 F232 Y259 G260 Q265 K266 A267 | M219-V263 HydrophobicContact CB-CG2 4.09Å; M219-V263 HydrophobicContact CG-CB 4.41Å; M219-V263 HydrophobicContact CG-CG1 3.97Å; M219-V263 HydrophobicContact CG-CG2 4.19Å; M219-V263 HydrophobicContact SD-CG1 4.19Å; N225-V263 HydrophobicContact CB-CG2 4.05Å; I228-V263 HydrophobicContact CB-CG1 4.41Å; I228-V263 HydrophobicContact CB-CG2 4.47Å; I228-V263 HydrophobicContact CG2-CG1 3.69Å; Q229-V263 HydrophobicContact CG-CG2 4.38Å; F232-V263 HydrophobicContact CD2-CG1 4.03Å; F232-V263 HydrophobicContact CE2-CG1 3.65Å; Y259-V263 PolarHBondContact O-N 3.42Å; G260-V263 WeakPolarHBondContact O-CA 3.5Å; G260-V263 WeakPolarHBondContact O-CB 3.32Å; G260-V263 PolarHBondContact O-N 3.39Å; V263-Q265 VanDerWaalsContact C-N 3.35Å; V263-Q265 PolarHBondContact O-N 3.06Å; V263-K266 PolarHBondContact O-N 2.87Å; V263-A267 WeakPolarHBondContact O-CB 3.47Å; V263-A267 PolarHBondContact O-N 3.03Å |
| 264 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 176.2 | -58.2 | -59.2 | 0 | 0 | 0 | 110.9 | V247 V251 L254 G260 K266 A267 L268 I279 V299 | V247-I264 HydrophobicContact CB-CD1 4.47Å; V247-I264 HydrophobicContact CG1-CD1 3.39Å; V247-I264 HydrophobicContact CG2-CD1 4.26Å; V251-I264 HydrophobicContact CG1-CD1 4.43Å; V251-I264 HydrophobicContact CG1-CG2 4.45Å; L254-I264 HydrophobicContact CB-CD1 3.83Å; L254-I264 HydrophobicContact CB-CG1 3.74Å; L254-I264 HydrophobicContact CD1-CD1 3.9Å; G260-I264 PolarHBondContact O-N 3.22Å; I264-K266 PolarHBondContact O-N 3.31Å; I264-A267 PolarHBondContact O-N 3.41Å; I264-L268 HydrophobicContact CG2-CD1 4.18Å; I264-L268 WeakPolarHBondContact O-CG 3.44Å; I264-L268 PolarHBondContact O-N 2.83Å; I264-I279 HydrophobicContact CG2-CG2 4.1Å; I264-V299 HydrophobicContact CB-CG1 4.49Å; I264-V299 HydrophobicContact CB-CG2 4.11Å; I264-V299 HydrophobicContact CG2-CG1 3.6Å; I264-V299 HydrophobicContact CG2-CG2 4.12Å |
| 265 | Q | 98.6 | Very high | 97.2 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 19% | 0.192 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -47.9 | 175.5 | -77.7 | 165.7 | 83.1 | 0 | 0 | 111.9 | C261 V263 A267 L268 E269 V299 K302 | C261-Q265 WeakPolarHBondContact O-CB 3.47Å; C261-Q265 VanDerWaalsContact O-CG 3.28Å; C261-Q265 WeakPolarHBondContact O-CG 3.38Å; C261-Q265 PolarHBondContact O-N 3.19Å; C261-Q265 PolarHBondContact O-NE2 3.27Å; V263-Q265 VanDerWaalsContact C-N 3.35Å; V263-Q265 PolarHBondContact O-N 3.06Å; Q265-A267 VanDerWaalsContact C-N 3.34Å; Q265-A267 PolarHBondContact O-N 3.11Å; Q265-L268 PolarHBondContact O-N 3.42Å; Q265-E269 WeakPolarHBondContact O-CG 3.3Å; Q265-E269 PolarHBondContact O-N 3.1Å; Q265-V299 HydrophobicContact CG-CG2 4.33Å; Q265-K302 HydrophobicContact CB-CB 4.46Å; Q265-K302 HydrophobicContact CB-CG 4.17Å; Q265-K302 HydrophobicContact CG-CB 3.88Å; Q265-K302 HydrophobicContact CG-CG 4.14Å |
| 266 | K | 98.4 | Very high | 97.1 | Very high | 39 Ų | 39 | 40.7 Ų | 40.7 | 17% | 0.17 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.2 | -29.1 | -179.9 | -168.5 | 53.3 | 168 | -179.3 | 0 | 113.4 | Q229 F232 E233 R262 V263 I264 E269 S270 | Q229-K266 HydrophobicContact CB-CB 4.42Å; Q229-K266 HydrophobicContact CB-CG 4.12Å; Q229-K266 HydrophobicContact CG-CB 3.8Å; Q229-K266 HydrophobicContact CG-CG 4.06Å; F232-K266 HydrophobicContact CB-CG 4.08Å; E233-K266 WeakPolarHBondContact OE1-CE 3.49Å; E233-K266 IonicContact OE1-NZ 2.73Å; E233-K266 PolarHBondContact OE1-NZ 2.65Å; R262-K266 WeakPolarHBondContact O-CB 3.17Å; R262-K266 PolarHBondContact O-N 3.33Å; V263-K266 PolarHBondContact O-N 2.87Å; I264-K266 PolarHBondContact O-N 3.31Å; K266-E269 HydrophobicContact CD-CB 4.46Å; K266-E269 VanDerWaalsContact CD-OE2 3.29Å; K266-E269 WeakPolarHBondContact CD-OE2 3.26Å; K266-E269 IonicContact NZ-OE2 2.8Å; K266-E269 PolarHBondContact NZ-OE2 3.11Å; K266-E269 PolarHBondContact O-N 2.9Å; K266-S270 VanDerWaalsContact O-CB 3.23Å; K266-S270 WeakPolarHBondContact O-CB 3.47Å; K266-S270 PolarHBondContact O-N 2.83Å; K266-S270 PolarHBondContact O-OG 3.06Å |
| 267 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -50.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F232 V263 I264 Q265 E269 S270 I271 I279 | F232-A267 HydrophobicContact CD1-CB 3.96Å; F232-A267 HydrophobicContact CD2-CB 4.25Å; F232-A267 HydrophobicContact CE1-CB 3.65Å; F232-A267 HydrophobicContact CE2-CB 3.95Å; F232-A267 HydrophobicContact CG-CB 4.25Å; F232-A267 HydrophobicContact CZ-CB 3.64Å; V263-A267 WeakPolarHBondContact O-CB 3.47Å; V263-A267 PolarHBondContact O-N 3.03Å; I264-A267 PolarHBondContact O-N 3.41Å; Q265-A267 VanDerWaalsContact C-N 3.34Å; Q265-A267 PolarHBondContact O-N 3.11Å; A267-E269 PolarHBondContact O-N 3.19Å; A267-S270 PolarHBondContact O-N 3.02Å; A267-I271 HydrophobicContact CB-CD1 4.47Å; A267-I271 VanDerWaalsContact O-CG1 3.26Å; A267-I271 WeakPolarHBondContact O-CG1 3.47Å; A267-I271 WeakPolarHBondContact O-CG2 3.49Å; A267-I271 PolarHBondContact O-N 2.61Å; A267-I279 HydrophobicContact CB-CD1 4.28Å |
| 268 | L | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.6 | -34.2 | 176.9 | -70 | 167.8 | 0 | 0 | 0 | 112.9 | I264 Q265 S270 Q276 I279 V280 V299 K302 V307 | I264-L268 HydrophobicContact CG2-CD1 4.18Å; I264-L268 WeakPolarHBondContact O-CG 3.44Å; I264-L268 PolarHBondContact O-N 2.83Å; Q265-L268 PolarHBondContact O-N 3.42Å; L268-S270 VanDerWaalsContact C-N 3.29Å; L268-S270 PolarHBondContact O-N 3.45Å; L268-Q276 HydrophobicContact CD2-CB 4.31Å; L268-Q276 HydrophobicContact CD2-CG 4.34Å; L268-Q276 PolarHBondContact O-NE2 2.91Å; L268-I279 HydrophobicContact CD2-CB 4.46Å; L268-I279 HydrophobicContact CD2-CG2 4.05Å; L268-I279 HydrophobicContact CG-CG2 4.5Å; L268-V280 HydrophobicContact CD2-CG2 4.1Å; L268-V299 HydrophobicContact CD1-CG1 4.49Å; L268-K302 HydrophobicContact CB-CG 3.98Å; L268-K302 HydrophobicContact CD1-CB 4.16Å; L268-K302 HydrophobicContact CD1-CG 4Å; L268-V307 HydrophobicContact CD2-CG2 4.23Å |
| 269 | E | 97.2 | Very high | 96.4 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 43% | 0.43 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -12.2 | 174.4 | -67.9 | 178.5 | 169.1 | 0 | 0 | 114.8 | Q265 K266 A267 K302 | Q265-E269 WeakPolarHBondContact O-CG 3.3Å; Q265-E269 PolarHBondContact O-N 3.1Å; K266-E269 HydrophobicContact CD-CB 4.46Å; K266-E269 VanDerWaalsContact CD-OE2 3.29Å; K266-E269 WeakPolarHBondContact CD-OE2 3.26Å; K266-E269 IonicContact NZ-OE2 2.8Å; K266-E269 PolarHBondContact NZ-OE2 3.11Å; K266-E269 PolarHBondContact O-N 2.9Å; A267-E269 PolarHBondContact O-N 3.19Å; E269-K302 HydrophobicContact CG-CD 3.86Å; E269-K302 VanDerWaalsContact OE1-CE 3.3Å; E269-K302 WeakPolarHBondContact OE1-CE 3.48Å; E269-K302 IonicContact OE1-NZ 3.78Å; E269-K302 PolarHBondContact OE1-NZ 3.44Å |
| 270 | S | 95.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 17% | 0.168 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.1 | -7.5 | -159.3 | -51.4 | 0 | 0 | 0 | 0 | 117 | F232 K240 K266 A267 L268 | F232-S270 WeakPolarHBondContact O-CB 3.44Å; F232-S270 PolarHBondContact O-OG 3.04Å; K240-S270 VanDerWaalsContact CD-O 3.26Å; K240-S270 WeakPolarHBondContact CD-O 3.35Å; K266-S270 VanDerWaalsContact O-CB 3.23Å; K266-S270 WeakPolarHBondContact O-CB 3.47Å; K266-S270 PolarHBondContact O-N 2.83Å; K266-S270 PolarHBondContact O-OG 3.06Å; A267-S270 PolarHBondContact O-N 3.02Å; L268-S270 VanDerWaalsContact C-N 3.29Å; L268-S270 PolarHBondContact O-N 3.45Å |
| 271 | I | 94.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 44 Ų | 44 | 11% | 0.113 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -104.3 | 175.3 | 178.9 | 67.9 | -166.3 | 0 | 0 | 0 | 111.3 | F232 A267 Q275 Q276 I279 | F232-I271 HydrophobicContact CD1-CG2 3.95Å; F232-I271 HydrophobicContact CE1-CG2 3.76Å; A267-I271 HydrophobicContact CB-CD1 4.47Å; A267-I271 VanDerWaalsContact O-CG1 3.26Å; A267-I271 WeakPolarHBondContact O-CG1 3.47Å; A267-I271 WeakPolarHBondContact O-CG2 3.49Å; A267-I271 PolarHBondContact O-N 2.61Å; I271-Q275 HydrophobicContact CB-CB 4.04Å; I271-Q275 HydrophobicContact CD1-CB 3.76Å; I271-Q275 HydrophobicContact CG1-CB 3.88Å; I271-Q276 HydrophobicContact CD1-CG 4.33Å; I271-Q276 HydrophobicContact CG1-CG 3.86Å; I271-I279 HydrophobicContact CD1-CD1 3.54Å; I271-I279 HydrophobicContact CD1-CG1 4.47Å |
| 272 | S | 94.6 | Very high | 96 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 33% | 0.329 | 23% | 0.225 | S | C | . | . | trans | -78.3 | 160.2 | 178.8 | 79.4 | 0 | 0 | 0 | 0 | 112.7 | E274 Q275 Q276 | S272-E274 WeakPolarHBondContact CB-OE2 3.49Å; S272-E274 PolarHBondContact O-N 2.93Å; S272-E274 VanDerWaalsContact O-N 3.17Å; S272-E274 PolarHBondContact OG-OE2 3.44Å; S272-Q275 PolarHBondContact O-N 3Å; S272-Q276 PolarHBondContact O-N 2.81Å | ||
| 273 | P | 95.1 | Very high | 96 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 44% | 0.442 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.5 | -30.5 | -177.9 | -26.4 | 36.5 | 0 | 0 | 0 | 114.5 | Q276 Q277 | P273-Q276 WeakPolarHBondContact O-CB 3.48Å; P273-Q277 VanDerWaalsContact O-CG 3.3Å; P273-Q277 WeakPolarHBondContact O-CG 3.36Å; P273-Q277 PolarHBondContact O-N 3.1Å; P273-Q277 PolarHBondContact O-NE2 3.45Å |
| 274 | E | 93.6 | Very high | 95.9 | Very high | 116 Ų | 116 | 44.9 Ų | 44.9 | 54% | 0.542 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67 | -44.1 | 176.4 | -53.1 | 73 | -157.3 | 0 | 0 | 110.3 | S272 Q277 E278 | S272-E274 WeakPolarHBondContact CB-OE2 3.49Å; S272-E274 PolarHBondContact O-N 2.93Å; S272-E274 VanDerWaalsContact O-N 3.17Å; S272-E274 PolarHBondContact OG-OE2 3.44Å; E274-Q277 PolarHBondContact O-N 3.15Å; E274-E278 PolarHBondContact O-N 3.11Å |
| 275 | Q | 93.8 | Very high | 95.9 | Very high | 28 Ų | 28 | 48.1 Ų | 48.1 | 13% | 0.131 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.6 | -31.8 | 177.8 | -53.7 | -159.1 | -81.2 | 0 | 0 | 112.5 | N241 I271 S272 E278 I279 | N241-Q275 PolarHBondContact OD1-NE2 3.32Å; I271-Q275 HydrophobicContact CB-CB 4.04Å; I271-Q275 HydrophobicContact CD1-CB 3.76Å; I271-Q275 HydrophobicContact CG1-CB 3.88Å; S272-Q275 PolarHBondContact O-N 3Å; Q275-E278 PolarHBondContact O-N 3.3Å; Q275-I279 WeakPolarHBondContact O-CG1 3.46Å; Q275-I279 PolarHBondContact O-N 3.49Å; Q275-I279 VanDerWaalsContact O-N 3.09Å |
| 276 | Q | 96 | Very high | 95.8 | Very high | 21 Ų | 21 | 50 Ų | 50 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 168.3 | -70.5 | 179.3 | -27.5 | 0 | 0 | 110.4 | L268 I271 S272 P273 E278 I279 V280 C306 V307 | L268-Q276 HydrophobicContact CD2-CB 4.31Å; L268-Q276 HydrophobicContact CD2-CG 4.34Å; L268-Q276 PolarHBondContact O-NE2 2.91Å; I271-Q276 HydrophobicContact CD1-CG 4.33Å; I271-Q276 HydrophobicContact CG1-CG 3.86Å; S272-Q276 PolarHBondContact O-N 2.81Å; P273-Q276 WeakPolarHBondContact O-CB 3.48Å; Q276-E278 PolarHBondContact O-N 3.41Å; Q276-I279 PolarHBondContact O-N 3.16Å; Q276-V280 WeakPolarHBondContact O-CB 3.32Å; Q276-V280 WeakPolarHBondContact O-CG2 3.46Å; Q276-V280 PolarHBondContact O-N 3.04Å; Q276-C306 PolarHBondContact NE2-O 3.31Å; Q276-C306 PolarHBondContact OE1-O 3.46Å; Q276-V307 HydrophobicContact CB-CG1 4.32Å; Q276-V307 HydrophobicContact CB-CG2 4.02Å; Q276-V307 HydrophobicContact CG-CG2 4.38Å |
| 277 | Q | 95 | Very high | 95.8 | Very high | 90 Ų | 90 | 48.4 Ų | 48.4 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 178.9 | -72.4 | 173.3 | 48.5 | 0 | 0 | 112.3 | P273 E274 I279 V280 H281 V307 A311 | P273-Q277 VanDerWaalsContact O-CG 3.3Å; P273-Q277 WeakPolarHBondContact O-CG 3.36Å; P273-Q277 PolarHBondContact O-N 3.1Å; P273-Q277 PolarHBondContact O-NE2 3.45Å; E274-Q277 PolarHBondContact O-N 3.15Å; Q277-I279 PolarHBondContact O-N 3.15Å; Q277-V280 PolarHBondContact O-N 2.88Å; Q277-H281 WeakPolarHBondContact O-CB 3.35Å; Q277-H281 PolarHBondContact O-N 3.11Å; Q277-V307 HydrophobicContact CG-CG1 4.48Å; Q277-A311 HydrophobicContact CG-CB 3.82Å |
| 278 | E | 93.4 | Very high | 95.9 | Very high | 90 Ų | 90 | 51 Ų | 51 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58 | -47.9 | 173.5 | -72.3 | -173.2 | -158.3 | 0 | 0 | 112.4 | K248 E274 Q275 Q276 | K248-E278 WeakPolarHBondContact CE-OE2 3.32Å; K248-E278 IonicContact NZ-OE1 3.71Å; K248-E278 IonicContact NZ-OE2 3.96Å; K248-E278 PolarHBondContact NZ-OE2 3.02Å; E274-E278 PolarHBondContact O-N 3.11Å; Q275-E278 PolarHBondContact O-N 3.3Å; Q276-E278 PolarHBondContact O-N 3.41Å |
| 279 | I | 93.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 177.7 | -72.7 | -178.8 | 0 | 0 | 0 | 111.2 | V247 V251 I264 A267 L268 I271 Q275 Q276 Q277 H281 E282 | V247-I279 HydrophobicContact CG1-CD1 3.9Å; V247-I279 HydrophobicContact CG1-CG1 4.12Å; V251-I279 HydrophobicContact CG1-CG2 3.79Å; V251-I279 HydrophobicContact CG2-CB 4.24Å; V251-I279 HydrophobicContact CG2-CG1 4.19Å; V251-I279 HydrophobicContact CG2-CG2 3.93Å; I264-I279 HydrophobicContact CG2-CG2 4.1Å; A267-I279 HydrophobicContact CB-CD1 4.28Å; L268-I279 HydrophobicContact CD2-CB 4.46Å; L268-I279 HydrophobicContact CD2-CG2 4.05Å; L268-I279 HydrophobicContact CG-CG2 4.5Å; I271-I279 HydrophobicContact CD1-CD1 3.54Å; I271-I279 HydrophobicContact CD1-CG1 4.47Å; Q275-I279 WeakPolarHBondContact O-CG1 3.46Å; Q275-I279 PolarHBondContact O-N 3.49Å; Q275-I279 VanDerWaalsContact O-N 3.09Å; Q276-I279 PolarHBondContact O-N 3.16Å; Q277-I279 PolarHBondContact O-N 3.15Å; I279-H281 VanDerWaalsContact C-N 3.35Å; I279-H281 PolarHBondContact O-N 3.28Å; I279-E282 PolarHBondContact O-N 3Å |
| 280 | V | 95.2 | Very high | 96 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | -177.4 | 167.7 | 0 | 0 | 0 | 0 | 111.6 | L268 Q276 Q277 E282 L283 C303 V307 L312 F314 | L268-V280 HydrophobicContact CD2-CG2 4.1Å; Q276-V280 WeakPolarHBondContact O-CB 3.32Å; Q276-V280 WeakPolarHBondContact O-CG2 3.46Å; Q276-V280 PolarHBondContact O-N 3.04Å; Q277-V280 PolarHBondContact O-N 2.88Å; V280-E282 VanDerWaalsContact C-N 3.29Å; V280-E282 PolarHBondContact O-N 3.43Å; V280-L283 WeakPolarHBondContact O-CB 3.45Å; V280-L283 PolarHBondContact O-N 3.47Å; V280-C303 HydrophobicContact CG2-CB 4.15Å; V280-V307 HydrophobicContact CG2-CG1 4.26Å; V280-V307 HydrophobicContact CG2-CG2 3.9Å; V280-L312 HydrophobicContact CG1-CD2 4Å; V280-F314 HydrophobicContact CG1-CE1 3.56Å; V280-F314 HydrophobicContact CG1-CZ 3.62Å; V280-F314 WeakPolarHBondContact O-CZ 3.39Å |
| 281 | H | 94.3 | Very high | 96.2 | Very high | 129 Ų | 129 | 51.3 Ų | 51.3 | 60% | 0.597 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -68.6 | -25.9 | -177.5 | -163.8 | 35.8 | 0 | 0 | 0 | 113 | Q277 I279 L283 D284 | Q277-H281 WeakPolarHBondContact O-CB 3.35Å; Q277-H281 PolarHBondContact O-N 3.11Å; I279-H281 VanDerWaalsContact C-N 3.35Å; I279-H281 PolarHBondContact O-N 3.28Å; H281-L283 PolarHBondContact O-N 3.07Å; H281-L283 VanDerWaalsContact O-N 3.16Å; H281-D284 IonicContact CE1-OD2 2.75Å; H281-D284 IonicContact ND1-OD2 2.7Å; H281-D284 WeakPolarHBondContact O-CB 3.23Å; H281-D284 PolarHBondContact O-N 2.83Å |
| 282 | E | 97.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -8.2 | 170.1 | -75.8 | -176.1 | -137.7 | 0 | 0 | 114.3 | K248 G249 H250 V251 I279 V280 | K248-E282 VanDerWaalsContact CA-OE1 3.31Å; K248-E282 WeakPolarHBondContact CA-OE1 3.25Å; K248-E282 WeakPolarHBondContact CG-OE1 3.29Å; G249-E282 WeakPolarHBondContact CA-OE2 3.37Å; G249-E282 VanDerWaalsContact N-CD 3.26Å; G249-E282 PolarHBondContact N-OE1 3.41Å; G249-E282 PolarHBondContact N-OE2 3.39Å; G249-E282 VanDerWaalsContact N-OE2 3.12Å; H250-E282 PolarHBondContact N-OE2 2.99Å; V251-E282 HydrophobicContact CB-CB 3.76Å; V251-E282 HydrophobicContact CB-CG 4.44Å; V251-E282 WeakPolarHBondContact CB-OE2 3.34Å; V251-E282 HydrophobicContact CG1-CB 4.42Å; V251-E282 HydrophobicContact CG2-CB 4.05Å; V251-E282 VanDerWaalsContact CG2-CD 3.47Å; V251-E282 HydrophobicContact CG2-CG 4.29Å; V251-E282 VanDerWaalsContact CG2-OE2 3.27Å; V251-E282 WeakPolarHBondContact CG2-OE2 3.49Å; V251-E282 PolarHBondContact N-OE2 3Å; I279-E282 PolarHBondContact O-N 3Å; V280-E282 VanDerWaalsContact C-N 3.29Å; V280-E282 PolarHBondContact O-N 3.43Å |
| 283 | L | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -4.2 | 172.8 | -56.7 | 178.4 | 0 | 0 | 0 | 113.1 | V251 L252 A255 V280 H281 H286 V287 V299 F314 | V251-L283 HydrophobicContact CG1-CD2 3.92Å; V251-L283 HydrophobicContact CG1-CG 4.18Å; L252-L283 HydrophobicContact CD1-CD2 4.44Å; A255-L283 HydrophobicContact CB-CD2 4.39Å; V280-L283 WeakPolarHBondContact O-CB 3.45Å; V280-L283 PolarHBondContact O-N 3.47Å; H281-L283 PolarHBondContact O-N 3.07Å; H281-L283 VanDerWaalsContact O-N 3.16Å; L283-H286 CarbonylContact O-C 3.3Å; L283-H286 WeakPolarHBondContact O-CA 3.45Å; L283-H286 PolarHBondContact O-N 3.08Å; L283-H286 VanDerWaalsContact O-N 3.08Å; L283-V287 PolarHBondContact O-N 3.44Å; L283-V287 VanDerWaalsContact O-N 3.09Å; L283-V299 HydrophobicContact CD1-CG1 3.93Å; L283-F314 HydrophobicContact CB-CE2 4.44Å |
| 284 | D | 97.5 | Very high | 96.7 | Very high | 72 Ų | 72 | 56 Ų | 56 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 148.5 | 175 | -156.9 | -7.9 | 0 | 0 | 0 | 111 | H281 H286 F314 | H281-D284 IonicContact CE1-OD2 2.75Å; H281-D284 IonicContact ND1-OD2 2.7Å; H281-D284 WeakPolarHBondContact O-CB 3.23Å; H281-D284 PolarHBondContact O-N 2.83Å; D284-H286 PolarHBondContact O-N 3.15Å; D284-F314 HydrophobicContact CB-CD2 3.69Å; D284-F314 HydrophobicContact CB-CE2 3.95Å; D284-F314 HydrophobicContact CB-CG 4.25Å; D284-F314 VanDerWaalsContact CG-CD2 3.49Å; D284-F314 WeakPolarHBondContact OD1-CD2 3.46Å |
| 285 | G | 97.4 | Very high | 96.9 | Very high | 69 Ų | 69 | 51.5 Ų | 51.5 | 71% | 0.711 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | -4.6 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 286 | H | 98.3 | Very high | 97.1 | Very high | 81 Ų | 81 | 50.2 Ų | 50.2 | 38% | 0.375 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -5.6 | -172.8 | -62.3 | -34.1 | 0 | 0 | 0 | 114.7 | L252 L283 D284 L288 K289 C290 | L252-H286 HydrophobicContact CD1-CB 3.78Å; L252-H286 HydrophobicContact CD2-CB 4.47Å; L252-H286 VanDerWaalsContact CD2-CD2 3.46Å; L252-H286 WeakPolarHBondContact CD2-CD2 3.46Å; L283-H286 CarbonylContact O-C 3.3Å; L283-H286 WeakPolarHBondContact O-CA 3.45Å; L283-H286 PolarHBondContact O-N 3.08Å; L283-H286 VanDerWaalsContact O-N 3.08Å; D284-H286 PolarHBondContact O-N 3.15Å; H286-L288 PolarHBondContact O-N 3.37Å; H286-K289 VanDerWaalsContact O-CB 3.32Å; H286-K289 WeakPolarHBondContact O-CB 3.45Å; H286-K289 PolarHBondContact O-N 2.88Å; H286-C290 PolarHBondContact O-N 3.47Å; H286-C290 VanDerWaalsContact O-N 3.15Å |
| 287 | V | 98.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -39.7 | -58.2 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 113.5 | L283 K289 C290 V291 F314 I315 A318 F319 | L283-V287 PolarHBondContact O-N 3.44Å; L283-V287 VanDerWaalsContact O-N 3.09Å; V287-K289 VanDerWaalsContact C-N 3.26Å; V287-K289 PolarHBondContact O-N 3.34Å; V287-C290 PolarHBondContact O-N 3.18Å; V287-C290 VanDerWaalsContact O-N 3.1Å; V287-V291 HydrophobicContact CG1-CG2 4.1Å; V287-V291 VanDerWaalsContact O-CG2 3.32Å; V287-V291 WeakPolarHBondContact O-CG2 3.21Å; V287-V291 PolarHBondContact O-N 3.48Å; V287-F314 HydrophobicContact CG2-CD2 3.59Å; V287-F314 HydrophobicContact CG2-CE2 3.49Å; V287-F314 VanDerWaalsContact CG2-CE2 3.49Å; V287-I315 HydrophobicContact CG1-CB 4.39Å; V287-I315 HydrophobicContact CG1-CG2 3.87Å; V287-I315 HydrophobicContact CG2-CG1 4.2Å; V287-A318 HydrophobicContact CB-CB 3.85Å; V287-A318 HydrophobicContact CG1-CB 4.01Å; V287-A318 HydrophobicContact CG2-CB 4.19Å; V287-F319 HydrophobicContact CG1-CD2 4.23Å; V287-F319 HydrophobicContact CG1-CE2 3.82Å |
| 288 | L | 98.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 48.1 Ų | 48.1 | 29% | 0.288 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.9 | -28 | -175.4 | -69.3 | 177.5 | 0 | 0 | 0 | 113.7 | H286 K292 A318 Q322 L326 | H286-L288 PolarHBondContact O-N 3.37Å; L288-K292 WeakPolarHBondContact O-CB 3.29Å; L288-K292 WeakPolarHBondContact O-CG 3.29Å; L288-K292 PolarHBondContact O-N 2.94Å; L288-A318 WeakPolarHBondContact CD2-O 3.44Å; L288-Q322 HydrophobicContact CD1-CG 4.07Å; L288-Q322 HydrophobicContact CD2-CB 4.4Å; L288-Q322 HydrophobicContact CD2-CG 4.26Å; L288-L326 HydrophobicContact CD2-CD1 3.88Å; L288-L326 HydrophobicContact CD2-CD2 4.39Å |
| 289 | K | 98.6 | Very high | 97.7 | Very high | 121 Ų | 121 | 43.9 Ų | 43.9 | 53% | 0.526 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.2 | -46.4 | 173.5 | -176.6 | -171.8 | 178.8 | -169.9 | 0 | 110.2 | L256 H286 V287 K292 D293 | L256-K289 HydrophobicContact CD1-CD 4.21Å; H286-K289 VanDerWaalsContact O-CB 3.32Å; H286-K289 WeakPolarHBondContact O-CB 3.45Å; H286-K289 PolarHBondContact O-N 2.88Å; V287-K289 VanDerWaalsContact C-N 3.26Å; V287-K289 PolarHBondContact O-N 3.34Å; K289-K292 PolarHBondContact O-N 3.22Å; K289-D293 WeakPolarHBondContact O-CB 3.05Å; K289-D293 PolarHBondContact O-N 3.34Å; K289-D293 VanDerWaalsContact O-N 3.15Å |
| 290 | C | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 178.4 | -63.3 | 0 | 0 | 0 | 0 | 112 | L252 H286 V287 K292 D293 G296 N297 V300 | L252-C290 VanDerWaalsContact CD1-SG 3.58Å; H286-C290 PolarHBondContact O-N 3.47Å; H286-C290 VanDerWaalsContact O-N 3.15Å; V287-C290 PolarHBondContact O-N 3.18Å; V287-C290 VanDerWaalsContact O-N 3.1Å; C290-K292 VanDerWaalsContact C-N 3.26Å; C290-K292 PolarHBondContact O-N 3.42Å; C290-D293 PolarHBondContact O-N 3.05Å; C290-D293 VanDerWaalsContact O-N 3.11Å; C290-G296 CarbonylContact O-C 3.47Å; C290-G296 WeakPolarHBondContact O-CA 3.34Å; C290-N297 PolarHBondContact O-N 3.02Å; C290-V300 HydrophobicContact CB-CG2 3.64Å |
| 291 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -32.1 | 178.9 | 171.8 | 0 | 0 | 0 | 0 | 112.8 | V287 V300 F319 L326 Y331 V335 | V287-V291 HydrophobicContact CG1-CG2 4.1Å; V287-V291 VanDerWaalsContact O-CG2 3.32Å; V287-V291 WeakPolarHBondContact O-CG2 3.21Å; V287-V291 PolarHBondContact O-N 3.48Å; V291-V300 HydrophobicContact CG2-CB 4.23Å; V291-V300 HydrophobicContact CG2-CG1 3.88Å; V291-V300 HydrophobicContact CG2-CG2 4.1Å; V291-F319 HydrophobicContact CG1-CZ 4.1Å; V291-F319 HydrophobicContact CG2-CE2 3.86Å; V291-F319 HydrophobicContact CG2-CZ 3.88Å; V291-L326 HydrophobicContact CG1-CD2 3.7Å; V291-Y331 WeakPolarHBondContact O-CB 3.04Å; V291-V335 HydrophobicContact CG1-CB 4.34Å; V291-V335 HydrophobicContact CG1-CG2 3.95Å; V291-V335 HydrophobicContact CG2-CG1 4.23Å; V291-V335 HydrophobicContact CG2-CG2 4.22Å |
| 292 | K | 98.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 39.5 Ų | 39.5 | 33% | 0.33 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -90.1 | -5.7 | 178.1 | -65.4 | 177.9 | -178 | 177.5 | 0 | 113.4 | L288 K289 C290 L326 | L288-K292 WeakPolarHBondContact O-CB 3.29Å; L288-K292 WeakPolarHBondContact O-CG 3.29Å; L288-K292 PolarHBondContact O-N 2.94Å; K289-K292 PolarHBondContact O-N 3.22Å; C290-K292 VanDerWaalsContact C-N 3.26Å; C290-K292 PolarHBondContact O-N 3.42Å; K292-L326 VanDerWaalsContact CE-CD2 3.45Å; K292-L326 HydrophobicContact CG-CD2 4.27Å |
| 293 | D | 98.8 | Very high | 98.4 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 19% | 0.193 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -89.8 | 148.6 | 175.6 | 177.9 | -111.4 | 0 | 0 | 0 | 113.5 | L256 K289 C290 N295 G296 N297 | L256-D293 HydrophobicContact CD2-CB 3.55Å; L256-D293 WeakPolarHBondContact CD2-OD1 3.47Å; K289-D293 WeakPolarHBondContact O-CB 3.05Å; K289-D293 PolarHBondContact O-N 3.34Å; K289-D293 VanDerWaalsContact O-N 3.15Å; C290-D293 PolarHBondContact O-N 3.05Å; C290-D293 VanDerWaalsContact O-N 3.11Å; D293-N295 VanDerWaalsContact C-N 3.3Å; D293-N295 PolarHBondContact O-N 3.18Å; D293-N295 WeakPolarHBondContact OD1-CA 3.32Å; D293-N295 WeakPolarHBondContact OD1-CB 3.36Å; D293-N295 PolarHBondContact OD1-N 3.09Å; D293-G296 PolarHBondContact OD1-N 3.03Å; D293-N297 WeakPolarHBondContact O-CB 3.46Å; D293-N297 PolarHBondContact O-N 3.35Å; D293-N297 PolarHBondContact O-ND2 3.05Å |
| 294 | Q | 97.9 | Very high | 98.4 | Very high | 122 Ų | 122 | 37 Ų | 37 | 57% | 0.57 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -26.2 | -178.9 | 69.5 | -171.2 | -41.6 | 0 | 0 | 114.1 | N297 H298 Y331 | Q294-N297 VanDerWaalsContact C-ND2 3.33Å; Q294-N297 PolarHBondContact O-ND2 3.47Å; Q294-H298 PolarHBondContact O-CD2 3.48Å; Q294-Y331 HydrophobicContact CB-CE2 4.01Å |
| 295 | N | 98.3 | Very high | 98.5 | Very high | 23 Ų | 23 | 37 Ų | 37 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -47 | 177.8 | -56.6 | -50.3 | 0 | 0 | 0 | 110.4 | A255 L256 M258 C261 D293 N297 H298 | A255-N295 CarbonylContact O-C 3.55Å; A255-N295 WeakPolarHBondContact O-CB 3.49Å; L256-N295 PolarHBondContact O-ND2 2.94Å; M258-N295 WeakPolarHBondContact CA-OD1 3.45Å; C261-N295 HydrophobicContact CB-CB 3.95Å; D293-N295 VanDerWaalsContact C-N 3.3Å; D293-N295 PolarHBondContact O-N 3.18Å; D293-N295 WeakPolarHBondContact OD1-CA 3.32Å; D293-N295 WeakPolarHBondContact OD1-CB 3.36Å; D293-N295 PolarHBondContact OD1-N 3.09Å; N295-N297 VanDerWaalsContact C-N 3.29Å; N295-N297 PolarHBondContact O-N 3.12Å; N295-H298 WeakPolarHBondContact O-CB 3.42Å; N295-H298 PolarHBondContact O-N 3.38Å; N295-H298 VanDerWaalsContact O-N 3.13Å |
| 296 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -33.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | A255 C290 D293 H298 V299 V300 | A255-G296 WeakPolarHBondContact O-CA 3.49Å; A255-G296 PolarHBondContact O-N 3.26Å; C290-G296 CarbonylContact O-C 3.47Å; C290-G296 WeakPolarHBondContact O-CA 3.34Å; D293-G296 PolarHBondContact OD1-N 3.03Å; G296-H298 PolarHBondContact O-N 3.14Å; G296-V299 PolarHBondContact O-N 2.88Å; G296-V299 VanDerWaalsContact O-N 3.09Å; G296-V300 WeakPolarHBondContact O-CG2 3.41Å; G296-V300 PolarHBondContact O-N 3.11Å |
| 297 | N | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.6 | -31.2 | 179.4 | 78.1 | 94.2 | 0 | 0 | 0 | 112.3 | C290 D293 Q294 N295 Q301 Y331 V335 | C290-N297 PolarHBondContact O-N 3.02Å; D293-N297 WeakPolarHBondContact O-CB 3.46Å; D293-N297 PolarHBondContact O-N 3.35Å; D293-N297 PolarHBondContact O-ND2 3.05Å; Q294-N297 VanDerWaalsContact C-ND2 3.33Å; Q294-N297 PolarHBondContact O-ND2 3.47Å; N295-N297 VanDerWaalsContact C-N 3.29Å; N295-N297 PolarHBondContact O-N 3.12Å; N297-Q301 WeakPolarHBondContact O-CG 3.4Å; N297-Q301 PolarHBondContact O-N 2.9Å; N297-Q301 PolarHBondContact O-NE2 3.18Å; N297-Q301 PolarHBondContact OD1-NE2 3.4Å; N297-Y331 HydrophobicContact CB-CG 4.4Å; N297-V335 HydrophobicContact CB-CG2 4.49Å |
| 298 | H | 98.7 | Very high | 98.4 | Very high | 68 Ų | 68 | 36.2 Ų | 36.2 | 32% | 0.315 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -73.7 | -34.4 | 177.3 | -69 | -75.6 | 0 | 0 | 0 | 112.1 | Q294 N295 G296 K302 | Q294-H298 PolarHBondContact O-CD2 3.48Å; N295-H298 WeakPolarHBondContact O-CB 3.42Å; N295-H298 PolarHBondContact O-N 3.38Å; N295-H298 VanDerWaalsContact O-N 3.13Å; G296-H298 PolarHBondContact O-N 3.14Å; H298-K302 WeakPolarHBondContact O-CB 3.41Å; H298-K302 PolarHBondContact O-N 3.45Å |
| 299 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.9 | -47.1 | 171.4 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | A255 C261 I264 Q265 L268 L283 G296 Q301 K302 C303 | A255-V299 HydrophobicContact CB-CB 4.14Å; A255-V299 HydrophobicContact CB-CG1 4.12Å; A255-V299 HydrophobicContact CB-CG2 3.85Å; C261-V299 HydrophobicContact CB-CG2 3.96Å; I264-V299 HydrophobicContact CB-CG1 4.49Å; I264-V299 HydrophobicContact CB-CG2 4.11Å; I264-V299 HydrophobicContact CG2-CG1 3.6Å; I264-V299 HydrophobicContact CG2-CG2 4.12Å; Q265-V299 HydrophobicContact CG-CG2 4.33Å; L268-V299 HydrophobicContact CD1-CG1 4.49Å; L283-V299 HydrophobicContact CD1-CG1 3.93Å; G296-V299 PolarHBondContact O-N 2.88Å; G296-V299 VanDerWaalsContact O-N 3.09Å; V299-Q301 PolarHBondContact O-N 3.5Å; V299-K302 CarbonylContact O-C 3.5Å; V299-K302 PolarHBondContact O-N 3.02Å; V299-C303 PolarHBondContact O-N 3.5Å; V299-C303 PolarHBondContact O-SG 2.97Å |
| 300 | V | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 179.7 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | C290 V291 G296 K302 C303 I304 I315 V335 | C290-V300 HydrophobicContact CB-CG2 3.64Å; V291-V300 HydrophobicContact CG2-CB 4.23Å; V291-V300 HydrophobicContact CG2-CG1 3.88Å; V291-V300 HydrophobicContact CG2-CG2 4.1Å; G296-V300 WeakPolarHBondContact O-CG2 3.41Å; G296-V300 PolarHBondContact O-N 3.11Å; V300-K302 VanDerWaalsContact C-N 3.34Å; V300-K302 PolarHBondContact O-N 3.03Å; V300-C303 WeakPolarHBondContact O-CB 3.36Å; V300-C303 PolarHBondContact O-N 3.28Å; V300-I304 HydrophobicContact CG1-CD1 4.12Å; V300-I304 WeakPolarHBondContact O-CD1 3.44Å; V300-I304 WeakPolarHBondContact O-CG1 3.39Å; V300-I304 PolarHBondContact O-N 3.42Å; V300-I315 HydrophobicContact CG1-CD1 4.33Å; V300-I315 HydrophobicContact CG1-CG2 4.38Å; V300-V335 HydrophobicContact CG1-CG1 3.69Å |
| 301 | Q | 98.8 | Very high | 98.2 | Very high | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.065 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -45.9 | 170.5 | -76.1 | 165.5 | 95.6 | 0 | 0 | 111.5 | N297 V299 C303 I304 E305 V335 R338 | N297-Q301 WeakPolarHBondContact O-CG 3.4Å; N297-Q301 PolarHBondContact O-N 2.9Å; N297-Q301 PolarHBondContact O-NE2 3.18Å; N297-Q301 PolarHBondContact OD1-NE2 3.4Å; V299-Q301 PolarHBondContact O-N 3.5Å; Q301-C303 PolarHBondContact O-N 3.06Å; Q301-I304 PolarHBondContact O-N 2.93Å; Q301-E305 WeakPolarHBondContact O-CG 3.41Å; Q301-E305 PolarHBondContact O-N 2.7Å; Q301-V335 HydrophobicContact CG-CG2 4.13Å; Q301-R338 HydrophobicContact CB-CG 3.91Å; Q301-R338 HydrophobicContact CG-CG 3.7Å |
| 302 | K | 98.6 | Very high | 98.2 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 12% | 0.122 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67 | -32.4 | 179.7 | -169.4 | 59.2 | 60.4 | 177.1 | 0 | 113.6 | Q265 L268 E269 H298 V299 V300 I304 E305 C306 | Q265-K302 HydrophobicContact CB-CB 4.46Å; Q265-K302 HydrophobicContact CB-CG 4.17Å; Q265-K302 HydrophobicContact CG-CB 3.88Å; Q265-K302 HydrophobicContact CG-CG 4.14Å; L268-K302 HydrophobicContact CB-CG 3.98Å; L268-K302 HydrophobicContact CD1-CB 4.16Å; L268-K302 HydrophobicContact CD1-CG 4Å; E269-K302 HydrophobicContact CG-CD 3.86Å; E269-K302 VanDerWaalsContact OE1-CE 3.3Å; E269-K302 WeakPolarHBondContact OE1-CE 3.48Å; E269-K302 IonicContact OE1-NZ 3.78Å; E269-K302 PolarHBondContact OE1-NZ 3.44Å; H298-K302 WeakPolarHBondContact O-CB 3.41Å; H298-K302 PolarHBondContact O-N 3.45Å; V299-K302 CarbonylContact O-C 3.5Å; V299-K302 PolarHBondContact O-N 3.02Å; V300-K302 VanDerWaalsContact C-N 3.34Å; V300-K302 PolarHBondContact O-N 3.03Å; K302-I304 VanDerWaalsContact C-N 3.3Å; K302-I304 PolarHBondContact O-N 2.68Å; K302-E305 HydrophobicContact CD-CB 4.47Å; K302-E305 WeakPolarHBondContact CE-OE2 3.26Å; K302-E305 IonicContact NZ-OE2 3.83Å; K302-E305 PolarHBondContact NZ-OE2 2.79Å; K302-E305 PolarHBondContact O-N 2.66Å; K302-C306 WeakPolarHBondContact CD-SG 3.38Å; K302-C306 WeakPolarHBondContact O-CB 3.39Å; K302-C306 PolarHBondContact O-N 3.44Å; K302-C306 VanDerWaalsContact O-N 3.12Å |
| 303 | C | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 169.1 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | V280 V299 V300 Q301 V307 L312 | V280-C303 HydrophobicContact CG2-CB 4.15Å; V299-C303 PolarHBondContact O-N 3.5Å; V299-C303 PolarHBondContact O-SG 2.97Å; V300-C303 WeakPolarHBondContact O-CB 3.36Å; V300-C303 PolarHBondContact O-N 3.28Å; Q301-C303 PolarHBondContact O-N 3.06Å; C303-V307 WeakPolarHBondContact O-CB 3.37Å; C303-V307 WeakPolarHBondContact O-CG2 3.43Å; C303-V307 PolarHBondContact O-N 2.73Å; C303-L312 HydrophobicContact CB-CD2 4.25Å |
| 304 | I | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.7 | -33.2 | -179.8 | -60.4 | 155.2 | 0 | 0 | 0 | 112.4 | V300 Q301 K302 L312 I315 V335 R338 I339 H342 | V300-I304 HydrophobicContact CG1-CD1 4.12Å; V300-I304 WeakPolarHBondContact O-CD1 3.44Å; V300-I304 WeakPolarHBondContact O-CG1 3.39Å; V300-I304 PolarHBondContact O-N 3.42Å; Q301-I304 PolarHBondContact O-N 2.93Å; K302-I304 VanDerWaalsContact C-N 3.3Å; K302-I304 PolarHBondContact O-N 2.68Å; I304-L312 HydrophobicContact CB-CD1 4.33Å; I304-L312 HydrophobicContact CG1-CD1 4.17Å; I304-I315 HydrophobicContact CG1-CD1 4.48Å; I304-V335 HydrophobicContact CD1-CG1 3.54Å; I304-R338 HydrophobicContact CB-CB 4.02Å; I304-R338 HydrophobicContact CD1-CB 4.16Å; I304-R338 HydrophobicContact CG2-CB 3.69Å; I304-R338 VanDerWaalsContact CG2-O 3.3Å; I304-R338 WeakPolarHBondContact CG2-O 3.27Å; I304-I339 HydrophobicContact CD1-CG1 3.81Å; I304-H342 HydrophobicContact CG2-CB 3.78Å; I304-H342 WeakPolarHBondContact O-CB 3.32Å |
| 305 | E | 98.4 | Very high | 98.1 | Very high | 70 Ų | 70 | 30 Ų | 30 | 33% | 0.327 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -73.5 | -28 | 177.9 | -72.1 | 165.9 | -151.7 | 0 | 0 | 114.3 | Q301 K302 | Q301-E305 WeakPolarHBondContact O-CG 3.41Å; Q301-E305 PolarHBondContact O-N 2.7Å; K302-E305 HydrophobicContact CD-CB 4.47Å; K302-E305 WeakPolarHBondContact CE-OE2 3.26Å; K302-E305 IonicContact NZ-OE2 3.83Å; K302-E305 PolarHBondContact NZ-OE2 2.79Å; K302-E305 PolarHBondContact O-N 2.66Å |
| 306 | C | 97.6 | Very high | 98.1 | Very high | 44 Ų | 44 | 29.2 Ų | 29.2 | 30% | 0.297 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -123.6 | -8 | -164.5 | -66.6 | 0 | 0 | 0 | 0 | 116.2 | Q276 K302 | Q276-C306 PolarHBondContact NE2-O 3.31Å; Q276-C306 PolarHBondContact OE1-O 3.46Å; K302-C306 WeakPolarHBondContact CD-SG 3.38Å; K302-C306 WeakPolarHBondContact O-CB 3.39Å; K302-C306 PolarHBondContact O-N 3.44Å; K302-C306 VanDerWaalsContact O-N 3.12Å |
| 307 | V | 97.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -118.8 | 149.5 | -170.2 | -171.1 | 0 | 0 | 0 | 0 | 110.2 | L268 Q276 Q277 V280 C303 P309 A311 L312 | L268-V307 HydrophobicContact CD2-CG2 4.23Å; Q276-V307 HydrophobicContact CB-CG1 4.32Å; Q276-V307 HydrophobicContact CB-CG2 4.02Å; Q276-V307 HydrophobicContact CG-CG2 4.38Å; Q277-V307 HydrophobicContact CG-CG1 4.48Å; V280-V307 HydrophobicContact CG2-CG1 4.26Å; V280-V307 HydrophobicContact CG2-CG2 3.9Å; C303-V307 WeakPolarHBondContact O-CB 3.37Å; C303-V307 WeakPolarHBondContact O-CG2 3.43Å; C303-V307 PolarHBondContact O-N 2.73Å; V307-P309 WeakPolarHBondContact O-CD 3.37Å; V307-A311 HydrophobicContact CG1-CB 4.26Å; V307-L312 HydrophobicContact CB-CD2 4.19Å; V307-L312 HydrophobicContact CG1-CD2 4.33Å |
| 308 | D | 97.6 | Very high | 98.1 | Very high | 85 Ų | 85 | 35.6 Ų | 35.6 | 46% | 0.455 | 20% | 0.198 | S | C | . | . | trans | -53.7 | 123.1 | 176.1 | -170.3 | -42.7 | 0 | 0 | 0 | 111.1 | V310 A311 | D308-V310 PolarHBondContact O-N 3.47Å; D308-V310 WeakPolarHBondContact OD1-CB 3.21Å; D308-V310 WeakPolarHBondContact OD1-CG2 3.08Å; D308-V310 PolarHBondContact OD1-N 3.12Å; D308-A311 WeakPolarHBondContact O-CB 3.32Å; D308-A311 PolarHBondContact O-N 2.92Å | ||
| 309 | P | 97.5 | Very high | 98 | Very high | 33 Ų | 33 | 32.4 Ų | 32.4 | 21% | 0.214 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -51.8 | -29.4 | 178.5 | -30.3 | 37.4 | 0 | 0 | 0 | 115 | V307 A311 L312 H342 T344 Q347 | V307-P309 WeakPolarHBondContact O-CD 3.37Å; P309-A311 VanDerWaalsContact C-N 3.26Å; P309-A311 PolarHBondContact O-N 2.82Å; P309-L312 WeakPolarHBondContact O-CB 3.19Å; P309-L312 PolarHBondContact O-N 3.47Å; P309-H342 WeakPolarHBondContact CG-O 3.15Å; P309-T344 HydrophobicContact CB-CG2 3.84Å; P309-Q347 PolarHBondContact O-NE2 3.45Å |
| 310 | V | 96.5 | Very high | 97.9 | Very high | 113 Ų | 113 | 40.5 Ų | 40.5 | 69% | 0.685 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -59.2 | -37.9 | 176.4 | 178 | 0 | 0 | 0 | 0 | 111.4 | D308 L312 | D308-V310 PolarHBondContact O-N 3.47Å; D308-V310 WeakPolarHBondContact OD1-CB 3.21Å; D308-V310 WeakPolarHBondContact OD1-CG2 3.08Å; D308-V310 PolarHBondContact OD1-N 3.12Å; V310-L312 VanDerWaalsContact C-N 3.27Å; V310-L312 PolarHBondContact O-N 2.67Å |
| 311 | A | 97.1 | Very high | 97.8 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -74.6 | -15 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q277 V307 D308 P309 F314 | Q277-A311 HydrophobicContact CG-CB 3.82Å; V307-A311 HydrophobicContact CG1-CB 4.26Å; D308-A311 WeakPolarHBondContact O-CB 3.32Å; D308-A311 PolarHBondContact O-N 2.92Å; P309-A311 VanDerWaalsContact C-N 3.26Å; P309-A311 PolarHBondContact O-N 2.82Å; A311-F314 WeakPolarHBondContact O-CD1 3.36Å; A311-F314 VanDerWaalsContact O-CE1 3.32Å; A311-F314 WeakPolarHBondContact O-CE1 2.82Å |
| 312 | L | 97.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -90.6 | 2.2 | -175.7 | -55.7 | -179.6 | 0 | 0 | 0 | 113.8 | V280 C303 I304 V307 P309 V310 F314 I315 I316 | V280-L312 HydrophobicContact CG1-CD2 4Å; C303-L312 HydrophobicContact CB-CD2 4.25Å; I304-L312 HydrophobicContact CB-CD1 4.33Å; I304-L312 HydrophobicContact CG1-CD1 4.17Å; V307-L312 HydrophobicContact CB-CD2 4.19Å; V307-L312 HydrophobicContact CG1-CD2 4.33Å; P309-L312 WeakPolarHBondContact O-CB 3.19Å; P309-L312 PolarHBondContact O-N 3.47Å; V310-L312 VanDerWaalsContact C-N 3.27Å; V310-L312 PolarHBondContact O-N 2.67Å; L312-F314 PolarHBondContact O-N 2.75Å; L312-F314 VanDerWaalsContact O-N 3.11Å; L312-I315 HydrophobicContact CB-CD1 4.33Å; L312-I315 HydrophobicContact CD2-CD1 3.87Å; L312-I315 WeakPolarHBondContact O-CA 3.47Å; L312-I315 VanDerWaalsContact O-CB 3.27Å; L312-I315 WeakPolarHBondContact O-CB 3.48Å; L312-I315 PolarHBondContact O-N 3.37Å; L312-I316 PolarHBondContact O-N 2.86Å |
| 313 | Q | 98 | Very high | 97.8 | Very high | 75 Ų | 75 | 43.7 Ų | 43.7 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.8 | -33 | -173.3 | -172 | 57.4 | 45 | 0 | 0 | 113.9 | I315 I316 N317 | Q313-I315 VanDerWaalsContact C-N 3.27Å; Q313-I315 PolarHBondContact O-N 3.02Å; Q313-I316 PolarHBondContact O-N 3.08Å; Q313-N317 PolarHBondContact NE2-OD1 3.38Å; Q313-N317 WeakPolarHBondContact O-CB 3.48Å; Q313-N317 PolarHBondContact O-N 3.44Å; Q313-N317 PolarHBondContact O-ND2 2.94Å; Q313-N317 PolarHBondContact O-OD1 3.27Å |
| 314 | F | 98.1 | Very high | 97.8 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -29.5 | 176.1 | 74.3 | -79.7 | 0 | 0 | 0 | 112.9 | V280 L283 D284 V287 A311 L312 A318 | V280-F314 HydrophobicContact CG1-CE1 3.56Å; V280-F314 HydrophobicContact CG1-CZ 3.62Å; V280-F314 WeakPolarHBondContact O-CZ 3.39Å; L283-F314 HydrophobicContact CB-CE2 4.44Å; D284-F314 HydrophobicContact CB-CD2 3.69Å; D284-F314 HydrophobicContact CB-CE2 3.95Å; D284-F314 HydrophobicContact CB-CG 4.25Å; D284-F314 VanDerWaalsContact CG-CD2 3.49Å; D284-F314 WeakPolarHBondContact OD1-CD2 3.46Å; V287-F314 HydrophobicContact CG2-CD2 3.59Å; V287-F314 HydrophobicContact CG2-CE2 3.49Å; V287-F314 VanDerWaalsContact CG2-CE2 3.49Å; A311-F314 WeakPolarHBondContact O-CD1 3.36Å; A311-F314 VanDerWaalsContact O-CE1 3.32Å; A311-F314 WeakPolarHBondContact O-CE1 2.82Å; L312-F314 PolarHBondContact O-N 2.75Å; L312-F314 VanDerWaalsContact O-N 3.11Å; F314-A318 WeakPolarHBondContact O-CB 3.23Å; F314-A318 PolarHBondContact O-N 2.76Å |
| 315 | I | 98 | Very high | 97.8 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.9 | -48.5 | 173 | -54.4 | -178 | 0 | 0 | 0 | 109.5 | V287 V300 I304 L312 Q313 N317 A318 F319 | V287-I315 HydrophobicContact CG1-CB 4.39Å; V287-I315 HydrophobicContact CG1-CG2 3.87Å; V287-I315 HydrophobicContact CG2-CG1 4.2Å; V300-I315 HydrophobicContact CG1-CD1 4.33Å; V300-I315 HydrophobicContact CG1-CG2 4.38Å; I304-I315 HydrophobicContact CG1-CD1 4.48Å; L312-I315 HydrophobicContact CB-CD1 4.33Å; L312-I315 HydrophobicContact CD2-CD1 3.87Å; L312-I315 WeakPolarHBondContact O-CA 3.47Å; L312-I315 VanDerWaalsContact O-CB 3.27Å; L312-I315 WeakPolarHBondContact O-CB 3.48Å; L312-I315 PolarHBondContact O-N 3.37Å; Q313-I315 VanDerWaalsContact C-N 3.27Å; Q313-I315 PolarHBondContact O-N 3.02Å; I315-N317 VanDerWaalsContact C-N 3.33Å; I315-N317 PolarHBondContact O-N 2.94Å; I315-A318 PolarHBondContact O-N 2.89Å; I315-F319 HydrophobicContact CG2-CD2 4.16Å; I315-F319 HydrophobicContact CG2-CE2 3.84Å; I315-F319 WeakPolarHBondContact O-CD2 3.3Å; I315-F319 PolarHBondContact O-N 2.76Å; I315-F319 VanDerWaalsContact O-N 3.16Å |
| 316 | I | 97.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 177.4 | -50.2 | -58.7 | 0 | 0 | 0 | 110.5 | L312 Q313 A318 F319 K320 I339 C343 Q347 I351 | L312-I316 PolarHBondContact O-N 2.86Å; Q313-I316 PolarHBondContact O-N 3.08Å; I316-A318 VanDerWaalsContact C-N 3.3Å; I316-A318 PolarHBondContact O-N 3.45Å; I316-F319 PolarHBondContact O-N 3.48Å; I316-F319 VanDerWaalsContact O-N 3.1Å; I316-K320 PolarHBondContact O-N 2.77Å; I316-I339 HydrophobicContact CD1-CD1 4.15Å; I316-I339 HydrophobicContact CD1-CG1 4.19Å; I316-I339 HydrophobicContact CD1-CG2 3.66Å; I316-C343 HydrophobicContact CD1-CB 4.46Å; I316-Q347 HydrophobicContact CD1-CB 4.24Å; I316-Q347 HydrophobicContact CG1-CB 4.04Å; I316-Q347 HydrophobicContact CG1-CG 4.12Å; I316-I351 HydrophobicContact CG2-CD1 4.44Å |
| 317 | N | 98.2 | Very high | 97.9 | Very high | 103 Ų | 103 | 44.6 Ų | 44.6 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.2 | -38.7 | 177 | -64.8 | -11.2 | 0 | 0 | 0 | 112.2 | Q313 I315 F319 | Q313-N317 PolarHBondContact NE2-OD1 3.38Å; Q313-N317 WeakPolarHBondContact O-CB 3.48Å; Q313-N317 PolarHBondContact O-N 3.44Å; Q313-N317 PolarHBondContact O-ND2 2.94Å; Q313-N317 PolarHBondContact O-OD1 3.27Å; I315-N317 VanDerWaalsContact C-N 3.33Å; I315-N317 PolarHBondContact O-N 2.94Å; N317-F319 VanDerWaalsContact C-N 3.29Å; N317-F319 PolarHBondContact O-N 3.37Å |
| 318 | A | 98.1 | Very high | 97.9 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 26% | 0.264 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -74.6 | -14.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V287 L288 F314 I315 I316 | V287-A318 HydrophobicContact CB-CB 3.85Å; V287-A318 HydrophobicContact CG1-CB 4.01Å; V287-A318 HydrophobicContact CG2-CB 4.19Å; L288-A318 WeakPolarHBondContact CD2-O 3.44Å; F314-A318 WeakPolarHBondContact O-CB 3.23Å; F314-A318 PolarHBondContact O-N 2.76Å; I315-A318 PolarHBondContact O-N 2.89Å; I316-A318 VanDerWaalsContact C-N 3.3Å; I316-A318 PolarHBondContact O-N 3.45Å |
| 319 | F | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -88.6 | -19.1 | 177.6 | -88.5 | -129.6 | 0 | 0 | 0 | 113.3 | V287 V291 I315 I316 N317 G321 Q322 V323 L326 V335 I336 I339 I351 | V287-F319 HydrophobicContact CG1-CD2 4.23Å; V287-F319 HydrophobicContact CG1-CE2 3.82Å; V291-F319 HydrophobicContact CG1-CZ 4.1Å; V291-F319 HydrophobicContact CG2-CE2 3.86Å; V291-F319 HydrophobicContact CG2-CZ 3.88Å; I315-F319 HydrophobicContact CG2-CD2 4.16Å; I315-F319 HydrophobicContact CG2-CE2 3.84Å; I315-F319 WeakPolarHBondContact O-CD2 3.3Å; I315-F319 PolarHBondContact O-N 2.76Å; I315-F319 VanDerWaalsContact O-N 3.16Å; I316-F319 PolarHBondContact O-N 3.48Å; I316-F319 VanDerWaalsContact O-N 3.1Å; N317-F319 VanDerWaalsContact C-N 3.29Å; N317-F319 PolarHBondContact O-N 3.37Å; F319-G321 PolarHBondContact O-N 3.09Å; F319-Q322 CarbonylContact O-C 3.08Å; F319-Q322 WeakPolarHBondContact O-CA 3.34Å; F319-Q322 WeakPolarHBondContact O-CB 3.44Å; F319-Q322 PolarHBondContact O-N 3.31Å; F319-V323 WeakPolarHBondContact O-CG2 3.46Å; F319-V323 PolarHBondContact O-N 3.31Å; F319-L326 HydrophobicContact CD1-CD1 3.54Å; F319-L326 HydrophobicContact CD2-CD1 3.96Å; F319-L326 HydrophobicContact CE1-CD1 3.56Å; F319-L326 HydrophobicContact CE2-CD1 4Å; F319-L326 HydrophobicContact CG-CD1 3.74Å; F319-L326 HydrophobicContact CZ-CD1 3.8Å; F319-V335 HydrophobicContact CE1-CB 4.43Å; F319-V335 HydrophobicContact CE1-CG1 4.22Å; F319-V335 HydrophobicContact CE2-CG1 4.49Å; F319-V335 HydrophobicContact CZ-CB 4.03Å; F319-V335 HydrophobicContact CZ-CG1 3.57Å; F319-I336 HydrophobicContact CD1-CD1 3.49Å; F319-I336 VanDerWaalsContact CD1-CD1 3.49Å; F319-I336 HydrophobicContact CD1-CG1 4.49Å; F319-I336 HydrophobicContact CE1-CD1 3.54Å; F319-I336 HydrophobicContact CE1-CG1 4.08Å; F319-I339 HydrophobicContact CD1-CD1 3.64Å; F319-I339 HydrophobicContact CE1-CD1 3.48Å; F319-I339 VanDerWaalsContact CE1-CD1 3.48Å; F319-I339 HydrophobicContact CE2-CD1 4.42Å; F319-I339 HydrophobicContact CG-CD1 4.22Å; F319-I339 HydrophobicContact CZ-CD1 3.91Å; F319-I351 HydrophobicContact CB-CD1 3.82Å |
| 320 | K | 95.7 | Very high | 98 | Very high | 170 Ų | 170 | 44.3 Ų | 44.3 | 74% | 0.739 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 127.9 | -179.8 | -174.5 | 172 | -177 | 170.1 | 0 | 111.7 | I316 Q322 | I316-K320 PolarHBondContact O-N 2.77Å; K320-Q322 PolarHBondContact O-N 2.86Å |
| 321 | G | 97.4 | Very high | 98.1 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 54% | 0.536 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 17.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F319 E354 | F319-G321 PolarHBondContact O-N 3.09Å; G321-E354 VanDerWaalsContact C-OE1 3.27Å; G321-E354 VanDerWaalsContact CA-OE1 3.31Å; G321-E354 WeakPolarHBondContact CA-OE1 3.17Å; G321-E354 WeakPolarHBondContact CA-OE2 3.5Å; G321-E354 PolarHBondContact N-OE1 3.13Å; G321-E354 PolarHBondContact N-OE2 3.35Å |
| 322 | Q | 98.4 | Very high | 98.2 | Very high | 62 Ų | 62 | 41.3 Ų | 41.3 | 29% | 0.29 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | -5.1 | 177.6 | -64.9 | -68.8 | -77.3 | 0 | 0 | 113.1 | L288 F319 K320 Y324 S325 L326 E354 | L288-Q322 HydrophobicContact CD1-CG 4.07Å; L288-Q322 HydrophobicContact CD2-CB 4.4Å; L288-Q322 HydrophobicContact CD2-CG 4.26Å; F319-Q322 CarbonylContact O-C 3.08Å; F319-Q322 WeakPolarHBondContact O-CA 3.34Å; F319-Q322 WeakPolarHBondContact O-CB 3.44Å; F319-Q322 PolarHBondContact O-N 3.31Å; K320-Q322 PolarHBondContact O-N 2.86Å; Q322-Y324 VanDerWaalsContact C-N 3.34Å; Q322-Y324 PolarHBondContact O-N 3.36Å; Q322-S325 CarbonylContact O-C 3.59Å; Q322-S325 PolarHBondContact O-N 3.49Å; Q322-L326 HydrophobicContact CB-CD1 3.92Å; Q322-L326 HydrophobicContact CB-CG 4.23Å; Q322-L326 WeakPolarHBondContact O-CB 2.98Å; Q322-L326 VanDerWaalsContact O-CG 3.31Å; Q322-L326 WeakPolarHBondContact O-CG 3.44Å; Q322-L326 PolarHBondContact O-N 3.05Å; Q322-E354 PolarHBondContact N-OE1 2.83Å |
| 323 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.7 | -42.6 | -171 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | F319 L326 S327 I336 I351 E354 L355 | F319-V323 WeakPolarHBondContact O-CG2 3.46Å; F319-V323 PolarHBondContact O-N 3.31Å; V323-L326 PolarHBondContact O-N 3.2Å; V323-S327 VanDerWaalsContact O-CB 3.25Å; V323-S327 WeakPolarHBondContact O-CB 3.11Å; V323-S327 PolarHBondContact O-N 2.83Å; V323-S327 PolarHBondContact O-OG 2.85Å; V323-I336 HydrophobicContact CG1-CD1 4.11Å; V323-I351 HydrophobicContact CG1-CG2 4.05Å; V323-I351 HydrophobicContact CG2-CD1 3.76Å; V323-I351 HydrophobicContact CG2-CG2 4.23Å; V323-E354 HydrophobicContact CB-CB 3.92Å; V323-E354 VanDerWaalsContact CB-CD 3.48Å; V323-E354 HydrophobicContact CB-CG 3.83Å; V323-E354 VanDerWaalsContact CB-OE1 3.31Å; V323-E354 WeakPolarHBondContact CB-OE1 3.12Å; V323-E354 HydrophobicContact CG1-CB 4.34Å; V323-E354 HydrophobicContact CG2-CB 3.98Å; V323-E354 HydrophobicContact CG2-CG 4.16Å; V323-E354 PolarHBondContact N-OE1 2.93Å; V323-L355 HydrophobicContact CG1-CD2 3.69Å; V323-L355 HydrophobicContact CG1-CG 3.68Å |
| 324 | Y | 98.7 | Very high | 98.3 | Very high | 85 Ų | 85 | 42 Ų | 42 | 33% | 0.333 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63 | -46.5 | 173.7 | 178.2 | -111 | 0 | 0 | 0 | 113 | Q322 L326 S327 T328 H358 Q361 L362 | Q322-Y324 VanDerWaalsContact C-N 3.34Å; Q322-Y324 PolarHBondContact O-N 3.36Å; Y324-L326 PolarHBondContact O-N 2.76Å; Y324-S327 PolarHBondContact O-N 2.82Å; Y324-T328 HydrophobicContact CD2-CG2 4.15Å; Y324-T328 HydrophobicContact CE2-CG2 3.71Å; Y324-T328 WeakPolarHBondContact O-CG2 3.17Å; Y324-T328 PolarHBondContact O-N 3.25Å; Y324-T328 PolarHBondContact O-OG1 2.99Å; Y324-H358 VanDerWaalsContact CB-CD2 3.48Å; Y324-H358 WeakPolarHBondContact CB-CD2 3.4Å; Y324-H358 HydrophobicContact CD2-CB 3.58Å; Y324-H358 AromaticContact CD2-CG 3.87Å; Y324-H358 HydrophobicContact CE2-CB 4.24Å; Y324-H358 HydrophobicContact CG-CB 4.19Å; Y324-H358 AromaticContact CG-CD2 3.99Å; Y324-H358 AromaticContact CG-CG 3.98Å; Y324-Q361 HydrophobicContact CE2-CB 3.69Å; Y324-Q361 HydrophobicContact CE2-CG 4.47Å; Y324-L362 HydrophobicContact CD2-CD1 4.45Å; Y324-L362 HydrophobicContact CD2-CD2 3.74Å; Y324-L362 HydrophobicContact CD2-CG 3.92Å; Y324-L362 HydrophobicContact CE2-CD2 3.95Å; Y324-L362 HydrophobicContact CE2-CG 4.13Å |
| 325 | S | 98.7 | Very high | 98.3 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.1 | -26.5 | 178.3 | 175.4 | 0 | 0 | 0 | 0 | 112.7 | Q322 H329 | Q322-S325 CarbonylContact O-C 3.59Å; Q322-S325 PolarHBondContact O-N 3.49Å; S325-H329 WeakPolarHBondContact O-CB 3.12Å |
| 326 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -88.6 | -41.3 | 179.6 | -67.2 | 175.2 | 0 | 0 | 0 | 111.4 | L288 V291 K292 F319 Q322 V323 Y324 T328 H329 G332 C333 I336 | L288-L326 HydrophobicContact CD2-CD1 3.88Å; L288-L326 HydrophobicContact CD2-CD2 4.39Å; V291-L326 HydrophobicContact CG1-CD2 3.7Å; K292-L326 VanDerWaalsContact CE-CD2 3.45Å; K292-L326 HydrophobicContact CG-CD2 4.27Å; F319-L326 HydrophobicContact CD1-CD1 3.54Å; F319-L326 HydrophobicContact CD2-CD1 3.96Å; F319-L326 HydrophobicContact CE1-CD1 3.56Å; F319-L326 HydrophobicContact CE2-CD1 4Å; F319-L326 HydrophobicContact CG-CD1 3.74Å; F319-L326 HydrophobicContact CZ-CD1 3.8Å; Q322-L326 HydrophobicContact CB-CD1 3.92Å; Q322-L326 HydrophobicContact CB-CG 4.23Å; Q322-L326 WeakPolarHBondContact O-CB 2.98Å; Q322-L326 VanDerWaalsContact O-CG 3.31Å; Q322-L326 WeakPolarHBondContact O-CG 3.44Å; Q322-L326 PolarHBondContact O-N 3.05Å; V323-L326 PolarHBondContact O-N 3.2Å; Y324-L326 PolarHBondContact O-N 2.76Å; L326-T328 PolarHBondContact O-N 3.12Å; L326-H329 VanDerWaalsContact O-CB 3.31Å; L326-H329 WeakPolarHBondContact O-CB 3.4Å; L326-H329 PolarHBondContact O-N 3.33Å; L326-G332 CarbonylContact O-C 3.52Å; L326-G332 VanDerWaalsContact O-CA 3.25Å; L326-G332 WeakPolarHBondContact O-CA 3.46Å; L326-C333 PolarHBondContact O-N 3.45Å; L326-I336 HydrophobicContact CB-CD1 4.39Å; L326-I336 HydrophobicContact CB-CG1 4.28Å |
| 327 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -29.5 | 173.7 | -66 | 0 | 0 | 0 | 0 | 113 | V323 Y324 C333 L355 Y367 G368 | V323-S327 VanDerWaalsContact O-CB 3.25Å; V323-S327 WeakPolarHBondContact O-CB 3.11Å; V323-S327 PolarHBondContact O-N 2.83Å; V323-S327 PolarHBondContact O-OG 2.85Å; Y324-S327 PolarHBondContact O-N 2.82Å; S327-C333 WeakPolarHBondContact O-CB 3.33Å; S327-L355 WeakPolarHBondContact OG-CD2 3.05Å; S327-Y367 CarbonylContact O-C 3.55Å; S327-G368 WeakPolarHBondContact O-CA 3.26Å; S327-G368 PolarHBondContact O-N 3.04Å; S327-G368 VanDerWaalsContact O-N 3.15Å |
| 328 | T | 98.8 | Very high | 98.4 | Very high | 34 Ų | 34 | 39.1 Ų | 39.1 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 7.4 | 172.6 | 57.1 | 0 | 0 | 0 | 0 | 114 | Y324 L326 L362 D365 Y367 | Y324-T328 HydrophobicContact CD2-CG2 4.15Å; Y324-T328 HydrophobicContact CE2-CG2 3.71Å; Y324-T328 WeakPolarHBondContact O-CG2 3.17Å; Y324-T328 PolarHBondContact O-N 3.25Å; Y324-T328 PolarHBondContact O-OG1 2.99Å; L326-T328 PolarHBondContact O-N 3.12Å; T328-L362 HydrophobicContact CG2-CD2 3.81Å; T328-D365 WeakPolarHBondContact CA-OD1 3.31Å; T328-D365 HydrophobicContact CG2-CB 3.97Å; T328-Y367 WeakPolarHBondContact O-CD2 3.49Å |
| 329 | H | 98.8 | Very high | 98.4 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 21% | 0.213 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -100 | 136.2 | 178.1 | -166.2 | -106.1 | 0 | 0 | 0 | 111.5 | S325 L326 Y331 G332 C333 | S325-H329 WeakPolarHBondContact O-CB 3.12Å; L326-H329 VanDerWaalsContact O-CB 3.31Å; L326-H329 WeakPolarHBondContact O-CB 3.4Å; L326-H329 PolarHBondContact O-N 3.33Å; H329-Y331 AromaticContact CE1-CD2 3.67Å; H329-Y331 PolarHBondContact ND1-N 2.8Å; H329-Y331 PolarHBondContact O-N 3.09Å; H329-G332 PolarHBondContact ND1-N 2.99Å; H329-G332 PolarHBondContact O-N 3.18Å; H329-G332 VanDerWaalsContact O-N 3.11Å; H329-C333 PolarHBondContact O-N 2.95Å; H329-C333 VanDerWaalsContact O-N 3.1Å; H329-C333 PolarHBondContact O-SG 3.37Å |
| 330 | P | 98.2 | Very high | 98.5 | Very high | 43 Ų | 43 | 39.1 Ų | 39.1 | 28% | 0.279 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27.1 | -178.4 | 18 | -32.8 | 0 | 0 | 0 | 115.2 | Y367 | P330-Y367 HydrophobicContact CB-CD1 4.46Å; P330-Y367 HydrophobicContact CB-CD2 4.48Å; P330-Y367 HydrophobicContact CB-CE1 3.9Å; P330-Y367 HydrophobicContact CB-CE2 3.91Å; P330-Y367 HydrophobicContact CG-CE2 4.25Å |
| 331 | Y | 98.6 | Very high | 98.6 | Very high | 77 Ų | 77 | 35 Ų | 35 | 30% | 0.302 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -32.7 | 176.4 | -48 | -34.1 | 0 | 0 | 0 | 112.4 | V291 Q294 N297 H329 C333 R334 | V291-Y331 WeakPolarHBondContact O-CB 3.04Å; Q294-Y331 HydrophobicContact CB-CE2 4.01Å; N297-Y331 HydrophobicContact CB-CG 4.4Å; H329-Y331 AromaticContact CE1-CD2 3.67Å; H329-Y331 PolarHBondContact ND1-N 2.8Å; H329-Y331 PolarHBondContact O-N 3.09Å; Y331-C333 PolarHBondContact O-N 3.02Å; Y331-R334 WeakPolarHBondContact O-CB 3.31Å; Y331-R334 PolarHBondContact O-N 3.22Å |
| 332 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.5 | -36.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L326 H329 R334 V335 I336 | L326-G332 CarbonylContact O-C 3.52Å; L326-G332 VanDerWaalsContact O-CA 3.25Å; L326-G332 WeakPolarHBondContact O-CA 3.46Å; H329-G332 PolarHBondContact ND1-N 2.99Å; H329-G332 PolarHBondContact O-N 3.18Å; H329-G332 VanDerWaalsContact O-N 3.11Å; G332-R334 PolarHBondContact O-N 3.13Å; G332-R334 VanDerWaalsContact O-N 3.15Å; G332-V335 PolarHBondContact O-N 3.25Å; G332-I336 WeakPolarHBondContact O-CG1 3.39Å; G332-I336 PolarHBondContact O-N 2.84Å |
| 333 | C | 98.6 | Very high | 98.6 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.5 | -29.2 | 178.2 | 68.9 | 0 | 0 | 0 | 0 | 112.5 | L326 S327 H329 Y331 Q337 V371 | L326-C333 PolarHBondContact O-N 3.45Å; S327-C333 WeakPolarHBondContact O-CB 3.33Å; H329-C333 PolarHBondContact O-N 2.95Å; H329-C333 VanDerWaalsContact O-N 3.1Å; H329-C333 PolarHBondContact O-SG 3.37Å; Y331-C333 PolarHBondContact O-N 3.02Å; C333-Q337 WeakPolarHBondContact O-CG 3.39Å; C333-Q337 PolarHBondContact O-N 2.8Å; C333-Q337 PolarHBondContact O-NE2 3.3Å; C333-V371 HydrophobicContact CB-CG2 3.91Å |
| 334 | R | 98.6 | Very high | 98.6 | Very high | 85 Ų | 85 | 36.4 Ų | 36.4 | 32% | 0.321 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -75.3 | -38.2 | 177 | -57 | -178.8 | 169.9 | -166.5 | -9.1 | 112 | Y331 G332 Q337 R338 | Y331-R334 WeakPolarHBondContact O-CB 3.31Å; Y331-R334 PolarHBondContact O-N 3.22Å; G332-R334 PolarHBondContact O-N 3.13Å; G332-R334 VanDerWaalsContact O-N 3.15Å; R334-Q337 PolarHBondContact O-N 3.39Å; R334-R338 PolarHBondContact O-N 2.65Å |
| 335 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | 175.9 | -167.5 | 0 | 0 | 0 | 0 | 110.5 | V291 N297 V300 Q301 I304 F319 G332 Q337 R338 I339 | V291-V335 HydrophobicContact CG1-CB 4.34Å; V291-V335 HydrophobicContact CG1-CG2 3.95Å; V291-V335 HydrophobicContact CG2-CG1 4.23Å; V291-V335 HydrophobicContact CG2-CG2 4.22Å; N297-V335 HydrophobicContact CB-CG2 4.49Å; V300-V335 HydrophobicContact CG1-CG1 3.69Å; Q301-V335 HydrophobicContact CG-CG2 4.13Å; I304-V335 HydrophobicContact CD1-CG1 3.54Å; F319-V335 HydrophobicContact CE1-CB 4.43Å; F319-V335 HydrophobicContact CE1-CG1 4.22Å; F319-V335 HydrophobicContact CE2-CG1 4.49Å; F319-V335 HydrophobicContact CZ-CB 4.03Å; F319-V335 HydrophobicContact CZ-CG1 3.57Å; G332-V335 PolarHBondContact O-N 3.25Å; V335-Q337 VanDerWaalsContact C-N 3.32Å; V335-Q337 PolarHBondContact O-N 2.88Å; V335-R338 PolarHBondContact O-N 3.06Å; V335-I339 HydrophobicContact CG1-CD1 4.44Å; V335-I339 WeakPolarHBondContact O-CG1 3.45Å; V335-I339 PolarHBondContact O-N 3.04Å |
| 336 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.6 | -46.7 | 170.8 | -65 | -73.3 | 0 | 0 | 0 | 111 | F319 V323 L326 G332 I339 L340 I351 L355 V371 | F319-I336 HydrophobicContact CD1-CD1 3.49Å; F319-I336 VanDerWaalsContact CD1-CD1 3.49Å; F319-I336 HydrophobicContact CD1-CG1 4.49Å; F319-I336 HydrophobicContact CE1-CD1 3.54Å; F319-I336 HydrophobicContact CE1-CG1 4.08Å; V323-I336 HydrophobicContact CG1-CD1 4.11Å; L326-I336 HydrophobicContact CB-CD1 4.39Å; L326-I336 HydrophobicContact CB-CG1 4.28Å; G332-I336 WeakPolarHBondContact O-CG1 3.39Å; G332-I336 PolarHBondContact O-N 2.84Å; I336-I339 PolarHBondContact O-N 3.15Å; I336-L340 HydrophobicContact CG2-CD1 4.01Å; I336-L340 HydrophobicContact CG2-CG 4.48Å; I336-L340 WeakPolarHBondContact O-CG 3.48Å; I336-L340 PolarHBondContact O-N 3.17Å; I336-I351 HydrophobicContact CD1-CG2 4.13Å; I336-L355 HydrophobicContact CG2-CD1 4.45Å; I336-V371 HydrophobicContact CB-CG2 4.48Å; I336-V371 HydrophobicContact CG2-CG1 3.57Å; I336-V371 HydrophobicContact CG2-CG2 4.2Å |
| 337 | Q | 98.8 | Very high | 98.5 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 16% | 0.159 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 176.6 | -77 | 163 | 83.6 | 0 | 0 | 112.4 | C333 R334 V335 I339 L340 E341 H374 | C333-Q337 WeakPolarHBondContact O-CG 3.39Å; C333-Q337 PolarHBondContact O-N 2.8Å; C333-Q337 PolarHBondContact O-NE2 3.3Å; R334-Q337 PolarHBondContact O-N 3.39Å; V335-Q337 VanDerWaalsContact C-N 3.32Å; V335-Q337 PolarHBondContact O-N 2.88Å; Q337-I339 VanDerWaalsContact C-N 3.33Å; Q337-I339 PolarHBondContact O-N 2.56Å; Q337-L340 PolarHBondContact O-N 3.22Å; Q337-E341 VanDerWaalsContact O-CG 3.26Å; Q337-E341 WeakPolarHBondContact O-CG 3.35Å; Q337-E341 PolarHBondContact O-N 3.24Å; Q337-H374 HydrophobicContact CG-CB 3.99Å |
| 338 | R | 98.8 | Very high | 98.5 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 17% | 0.166 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 174.4 | -66 | -57.6 | 84.3 | 70.7 | 2.5 | 112.5 | Q301 I304 R334 V335 L340 E341 H342 | Q301-R338 HydrophobicContact CB-CG 3.91Å; Q301-R338 HydrophobicContact CG-CG 3.7Å; I304-R338 HydrophobicContact CB-CB 4.02Å; I304-R338 HydrophobicContact CD1-CB 4.16Å; I304-R338 HydrophobicContact CG2-CB 3.69Å; I304-R338 VanDerWaalsContact CG2-O 3.3Å; I304-R338 WeakPolarHBondContact CG2-O 3.27Å; R334-R338 PolarHBondContact O-N 2.65Å; V335-R338 PolarHBondContact O-N 3.06Å; R338-L340 VanDerWaalsContact C-N 3.35Å; R338-L340 PolarHBondContact O-N 3.09Å; R338-E341 IonicContact CZ-OE1 2.71Å; R338-E341 IonicContact CZ-OE2 2.85Å; R338-E341 IonicContact NE-OE1 2.73Å; R338-E341 IonicContact NE-OE2 3.3Å; R338-E341 PolarHBondContact NE-OE2 2.99Å; R338-E341 IonicContact NH2-OE1 3.73Å; R338-E341 PolarHBondContact NH2-OE1 2.85Å; R338-E341 IonicContact NH2-OE2 2.68Å; R338-E341 PolarHBondContact NH2-OE2 3.41Å; R338-E341 PolarHBondContact O-N 2.93Å; R338-H342 PolarHBondContact O-CD2 2.69Å; R338-H342 PolarHBondContact O-N 3.12Å |
| 339 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 176.1 | -68.6 | 168.1 | 0 | 0 | 0 | 110.4 | I304 I316 F319 V335 I336 Q337 E341 C343 T348 I351 | I304-I339 HydrophobicContact CD1-CG1 3.81Å; I316-I339 HydrophobicContact CD1-CD1 4.15Å; I316-I339 HydrophobicContact CD1-CG1 4.19Å; I316-I339 HydrophobicContact CD1-CG2 3.66Å; F319-I339 HydrophobicContact CD1-CD1 3.64Å; F319-I339 HydrophobicContact CE1-CD1 3.48Å; F319-I339 VanDerWaalsContact CE1-CD1 3.48Å; F319-I339 HydrophobicContact CE2-CD1 4.42Å; F319-I339 HydrophobicContact CG-CD1 4.22Å; F319-I339 HydrophobicContact CZ-CD1 3.91Å; V335-I339 HydrophobicContact CG1-CD1 4.44Å; V335-I339 WeakPolarHBondContact O-CG1 3.45Å; V335-I339 PolarHBondContact O-N 3.04Å; I336-I339 PolarHBondContact O-N 3.15Å; Q337-I339 VanDerWaalsContact C-N 3.33Å; Q337-I339 PolarHBondContact O-N 2.56Å; I339-E341 PolarHBondContact O-N 3.02Å; I339-C343 HydrophobicContact CG2-CB 4.08Å; I339-C343 VanDerWaalsContact O-CB 3.25Å; I339-C343 WeakPolarHBondContact O-CB 3.2Å; I339-C343 PolarHBondContact O-N 3.49Å; I339-T348 HydrophobicContact CG2-CG2 4.36Å; I339-T348 VanDerWaalsContact O-CG2 3.27Å; I339-T348 WeakPolarHBondContact O-CG2 3.36Å; I339-I351 HydrophobicContact CG2-CG1 4.22Å |
| 340 | L | 98.5 | Very high | 98.4 | Very high | 32 Ų | 32 | 42 Ų | 42 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.5 | -21.9 | 178.6 | -64.8 | 172.2 | 0 | 0 | 0 | 113.8 | I336 Q337 R338 T348 L352 L355 V371 V375 | I336-L340 HydrophobicContact CG2-CD1 4.01Å; I336-L340 HydrophobicContact CG2-CG 4.48Å; I336-L340 WeakPolarHBondContact O-CG 3.48Å; I336-L340 PolarHBondContact O-N 3.17Å; Q337-L340 PolarHBondContact O-N 3.22Å; R338-L340 VanDerWaalsContact C-N 3.35Å; R338-L340 PolarHBondContact O-N 3.09Å; L340-T348 HydrophobicContact CD2-CG2 4.39Å; L340-L352 HydrophobicContact CD2-CD2 3.87Å; L340-L352 HydrophobicContact CD2-CG 3.93Å; L340-L355 HydrophobicContact CD1-CD1 4.15Å; L340-V371 HydrophobicContact CD1-CG1 4.25Å; L340-V375 HydrophobicContact CD1-CG2 3.84Å |
| 341 | E | 98.3 | Very high | 98.4 | Very high | 83 Ų | 83 | 40 Ų | 40 | 39% | 0.388 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -89.6 | -33.6 | 179.2 | -72.6 | 164.3 | -163.1 | 0 | 0 | 114.1 | Q337 R338 I339 H374 | Q337-E341 VanDerWaalsContact O-CG 3.26Å; Q337-E341 WeakPolarHBondContact O-CG 3.35Å; Q337-E341 PolarHBondContact O-N 3.24Å; R338-E341 IonicContact CZ-OE1 2.71Å; R338-E341 IonicContact CZ-OE2 2.85Å; R338-E341 IonicContact NE-OE1 2.73Å; R338-E341 IonicContact NE-OE2 3.3Å; R338-E341 PolarHBondContact NE-OE2 2.99Å; R338-E341 IonicContact NH2-OE1 3.73Å; R338-E341 PolarHBondContact NH2-OE1 2.85Å; R338-E341 IonicContact NH2-OE2 2.68Å; R338-E341 PolarHBondContact NH2-OE2 3.41Å; R338-E341 PolarHBondContact O-N 2.93Å; I339-E341 PolarHBondContact O-N 3.02Å; E341-H374 WeakPolarHBondContact CG-CE1 3.49Å; E341-H374 IonicContact OE1-CE1 3.88Å; E341-H374 PolarHBondContact OE1-CE1 2.85Å; E341-H374 IonicContact OE1-ND1 3.04Å; E341-H374 PolarHBondContact OE1-ND1 2.93Å; E341-H374 IonicContact OE1-NE2 3.65Å |
| 342 | H | 98.3 | Very high | 98.4 | Very high | 81 Ų | 81 | 36.9 Ų | 36.9 | 38% | 0.375 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -123.1 | -22 | -166.3 | -66.6 | -89.9 | 0 | 0 | 0 | 115.5 | I304 P309 R338 | I304-H342 HydrophobicContact CG2-CB 3.78Å; I304-H342 WeakPolarHBondContact O-CB 3.32Å; P309-H342 WeakPolarHBondContact CG-O 3.15Å; R338-H342 PolarHBondContact O-CD2 2.69Å; R338-H342 PolarHBondContact O-N 3.12Å |
| 343 | C | 98.3 | Very high | 98.4 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 11% | 0.108 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -82.6 | 163.9 | -178.7 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | I316 I339 Q347 T348 | I316-C343 HydrophobicContact CD1-CB 4.46Å; I339-C343 HydrophobicContact CG2-CB 4.08Å; I339-C343 VanDerWaalsContact O-CB 3.25Å; I339-C343 WeakPolarHBondContact O-CB 3.2Å; I339-C343 PolarHBondContact O-N 3.49Å; C343-Q347 HydrophobicContact CB-CB 3.87Å; C343-T348 HydrophobicContact CB-CG2 4.07Å |
| 344 | T | 98.4 | Very high | 98.4 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 29% | 0.288 | 22% | 0.22 | S | C | . | . | trans | -70.9 | 169.8 | -175.9 | 82.2 | 0 | 0 | 0 | 0 | 112.8 | P309 E346 Q347 T348 | P309-T344 HydrophobicContact CB-CG2 3.84Å; T344-E346 VanDerWaalsContact C-N 3.27Å; T344-E346 WeakPolarHBondContact CB-OE2 3.39Å; T344-E346 PolarHBondContact O-N 3.28Å; T344-E346 PolarHBondContact OG1-N 3.2Å; T344-E346 PolarHBondContact OG1-OE2 2.86Å; T344-Q347 PolarHBondContact O-N 3Å; T344-Q347 PolarHBondContact OG1-N 3.17Å; T344-T348 WeakPolarHBondContact O-CB 3.49Å; T344-T348 WeakPolarHBondContact O-CG2 3.47Å; T344-T348 PolarHBondContact O-N 3.14Å; T344-T348 PolarHBondContact O-OG1 3.02Å | ||
| 345 | A | 97.4 | Very high | 98.4 | Very high | 60 Ų | 60 | 38.2 Ų | 38.2 | 50% | 0.496 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.2 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q347 T348 T349 | A345-Q347 VanDerWaalsContact C-N 3.29Å; A345-Q347 PolarHBondContact O-N 3.21Å; A345-T348 WeakPolarHBondContact CA-OG1 3.31Å; A345-T348 PolarHBondContact O-OG1 2.89Å; A345-T349 WeakPolarHBondContact O-CB 3.35Å; A345-T349 PolarHBondContact O-N 3.23Å; A345-T349 PolarHBondContact O-OG1 3.12Å |
| 346 | E | 98 | Very high | 98.4 | Very high | 143 Ų | 143 | 39.9 Ų | 39.9 | 67% | 0.668 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -68.5 | -30 | 178.6 | -54.3 | 70.9 | -152.8 | 0 | 0 | 111.8 | T344 P350 | T344-E346 VanDerWaalsContact C-N 3.27Å; T344-E346 WeakPolarHBondContact CB-OE2 3.39Å; T344-E346 PolarHBondContact O-N 3.28Å; T344-E346 PolarHBondContact OG1-N 3.2Å; T344-E346 PolarHBondContact OG1-OE2 2.86Å; E346-P350 WeakPolarHBondContact O-CD 3.46Å |
| 347 | Q | 98.4 | Very high | 98.4 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -84.3 | -35.7 | 177.8 | -70.9 | -178.5 | -31.1 | 0 | 0 | 113.2 | P309 I316 C343 T344 A345 | P309-Q347 PolarHBondContact O-NE2 3.45Å; I316-Q347 HydrophobicContact CD1-CB 4.24Å; I316-Q347 HydrophobicContact CG1-CB 4.04Å; I316-Q347 HydrophobicContact CG1-CG 4.12Å; C343-Q347 HydrophobicContact CB-CB 3.87Å; T344-Q347 PolarHBondContact O-N 3Å; T344-Q347 PolarHBondContact OG1-N 3.17Å; A345-Q347 VanDerWaalsContact C-N 3.29Å; A345-Q347 PolarHBondContact O-N 3.21Å |
| 348 | T | 98.4 | Very high | 98.4 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 10% | 0.104 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -81.2 | -31.2 | -179.5 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | I339 L340 C343 T344 A345 I351 L352 | I339-T348 HydrophobicContact CG2-CG2 4.36Å; I339-T348 VanDerWaalsContact O-CG2 3.27Å; I339-T348 WeakPolarHBondContact O-CG2 3.36Å; L340-T348 HydrophobicContact CD2-CG2 4.39Å; C343-T348 HydrophobicContact CB-CG2 4.07Å; T344-T348 WeakPolarHBondContact O-CB 3.49Å; T344-T348 WeakPolarHBondContact O-CG2 3.47Å; T344-T348 PolarHBondContact O-N 3.14Å; T344-T348 PolarHBondContact O-OG1 3.02Å; A345-T348 WeakPolarHBondContact CA-OG1 3.31Å; A345-T348 PolarHBondContact O-OG1 2.89Å; T348-I351 WeakPolarHBondContact O-CB 3.33Å; T348-I351 PolarHBondContact O-N 3.41Å; T348-I351 VanDerWaalsContact O-N 3.11Å; T348-L352 WeakPolarHBondContact O-CG 3.14Å; T348-L352 PolarHBondContact O-N 2.9Å |
| 349 | T | 98.3 | Very high | 98.3 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -51.8 | -56.2 | 177.4 | -63.2 | 0 | 0 | 0 | 0 | 113.6 | A345 I351 L352 D353 | A345-T349 WeakPolarHBondContact O-CB 3.35Å; A345-T349 PolarHBondContact O-N 3.23Å; A345-T349 PolarHBondContact O-OG1 3.12Å; T349-I351 PolarHBondContact O-N 3.17Å; T349-I351 VanDerWaalsContact O-N 3.12Å; T349-L352 WeakPolarHBondContact O-CA 3.46Å; T349-L352 WeakPolarHBondContact O-CB 3.38Å; T349-L352 PolarHBondContact O-N 2.9Å; T349-D353 VanDerWaalsContact O-CG 3.26Å; T349-D353 PolarHBondContact O-N 3.38Å |
| 350 | P | 98.3 | Very high | 98.3 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.6 | -18.5 | 180 | 27.1 | -36.5 | 0 | 0 | 0 | 114 | E346 | E346-P350 WeakPolarHBondContact O-CD 3.46Å |
| 351 | I | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -80 | -39.5 | 172.3 | -55 | -63.5 | 0 | 0 | 0 | 110.2 | I316 F319 V323 I336 I339 T348 T349 L355 | I316-I351 HydrophobicContact CG2-CD1 4.44Å; F319-I351 HydrophobicContact CB-CD1 3.82Å; V323-I351 HydrophobicContact CG1-CG2 4.05Å; V323-I351 HydrophobicContact CG2-CD1 3.76Å; V323-I351 HydrophobicContact CG2-CG2 4.23Å; I336-I351 HydrophobicContact CD1-CG2 4.13Å; I339-I351 HydrophobicContact CG2-CG1 4.22Å; T348-I351 WeakPolarHBondContact O-CB 3.33Å; T348-I351 PolarHBondContact O-N 3.41Å; T348-I351 VanDerWaalsContact O-N 3.11Å; T349-I351 PolarHBondContact O-N 3.17Å; T349-I351 VanDerWaalsContact O-N 3.12Å; I351-L355 HydrophobicContact CG2-CD1 4.36Å; I351-L355 WeakPolarHBondContact O-CB 3.43Å; I351-L355 VanDerWaalsContact O-CG 3.23Å; I351-L355 WeakPolarHBondContact O-CG 3.24Å; I351-L355 PolarHBondContact O-N 3.44Å |
| 352 | L | 98.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 174.2 | -72.5 | 163.7 | 0 | 0 | 0 | 111.6 | L340 T348 T349 E354 L355 H356 V375 | L340-L352 HydrophobicContact CD2-CD2 3.87Å; L340-L352 HydrophobicContact CD2-CG 3.93Å; T348-L352 WeakPolarHBondContact O-CG 3.14Å; T348-L352 PolarHBondContact O-N 2.9Å; T349-L352 WeakPolarHBondContact O-CA 3.46Å; T349-L352 WeakPolarHBondContact O-CB 3.38Å; T349-L352 PolarHBondContact O-N 2.9Å; L352-E354 PolarHBondContact O-N 2.86Å; L352-L355 HydrophobicContact CD2-CD1 4.37Å; L352-L355 WeakPolarHBondContact O-CB 3.44Å; L352-L355 PolarHBondContact O-N 3.31Å; L352-L355 VanDerWaalsContact O-N 3.17Å; L352-H356 PolarHBondContact O-CD2 3.13Å; L352-H356 VanDerWaalsContact O-CG 3.25Å; L352-H356 PolarHBondContact O-N 2.87Å; L352-V375 HydrophobicContact CD2-CG1 4.14Å; L352-V375 HydrophobicContact CD2-CG2 3.93Å |
| 353 | D | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 45.3 Ų | 45.3 | 48% | 0.476 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -55.6 | -51.1 | 176.4 | -63.2 | -32.3 | 0 | 0 | 0 | 111.3 | T349 L355 H356 E357 | T349-D353 VanDerWaalsContact O-CG 3.26Å; T349-D353 PolarHBondContact O-N 3.38Å; D353-L355 VanDerWaalsContact C-N 3.34Å; D353-L355 PolarHBondContact O-N 2.78Å; D353-H356 PolarHBondContact O-N 3.19Å; D353-E357 PolarHBondContact O-N 3.45Å |
| 354 | E | 98.4 | Very high | 98.4 | Very high | 28 Ų | 28 | 48.6 Ų | 48.6 | 13% | 0.131 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.1 | -23 | 178.9 | -160.9 | -177.3 | 137.6 | 0 | 0 | 113.1 | G321 Q322 V323 L352 H358 | G321-E354 VanDerWaalsContact C-OE1 3.27Å; G321-E354 VanDerWaalsContact CA-OE1 3.31Å; G321-E354 WeakPolarHBondContact CA-OE1 3.17Å; G321-E354 WeakPolarHBondContact CA-OE2 3.5Å; G321-E354 PolarHBondContact N-OE1 3.13Å; G321-E354 PolarHBondContact N-OE2 3.35Å; Q322-E354 PolarHBondContact N-OE1 2.83Å; V323-E354 HydrophobicContact CB-CB 3.92Å; V323-E354 VanDerWaalsContact CB-CD 3.48Å; V323-E354 HydrophobicContact CB-CG 3.83Å; V323-E354 VanDerWaalsContact CB-OE1 3.31Å; V323-E354 WeakPolarHBondContact CB-OE1 3.12Å; V323-E354 HydrophobicContact CG1-CB 4.34Å; V323-E354 HydrophobicContact CG2-CB 3.98Å; V323-E354 HydrophobicContact CG2-CG 4.16Å; V323-E354 PolarHBondContact N-OE1 2.93Å; L352-E354 PolarHBondContact O-N 2.86Å; E354-H358 PolarHBondContact O-CD2 2.92Å |
| 355 | L | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69 | -43.9 | 167.2 | -75.6 | 170.3 | 0 | 0 | 0 | 111.2 | V323 S327 I336 L340 I351 L352 D353 E357 H358 T359 L362 V371 | V323-L355 HydrophobicContact CG1-CD2 3.69Å; V323-L355 HydrophobicContact CG1-CG 3.68Å; S327-L355 WeakPolarHBondContact OG-CD2 3.05Å; I336-L355 HydrophobicContact CG2-CD1 4.45Å; L340-L355 HydrophobicContact CD1-CD1 4.15Å; I351-L355 HydrophobicContact CG2-CD1 4.36Å; I351-L355 WeakPolarHBondContact O-CB 3.43Å; I351-L355 VanDerWaalsContact O-CG 3.23Å; I351-L355 WeakPolarHBondContact O-CG 3.24Å; I351-L355 PolarHBondContact O-N 3.44Å; L352-L355 HydrophobicContact CD2-CD1 4.37Å; L352-L355 WeakPolarHBondContact O-CB 3.44Å; L352-L355 PolarHBondContact O-N 3.31Å; L352-L355 VanDerWaalsContact O-N 3.17Å; D353-L355 VanDerWaalsContact C-N 3.34Å; D353-L355 PolarHBondContact O-N 2.78Å; L355-E357 VanDerWaalsContact C-N 3.34Å; L355-E357 PolarHBondContact O-N 3.01Å; L355-H358 CarbonylContact O-C 3.49Å; L355-H358 PolarHBondContact O-N 3.01Å; L355-T359 PolarHBondContact O-N 2.98Å; L355-L362 HydrophobicContact CD2-CD1 3.62Å; L355-V371 HydrophobicContact CD1-CG1 3.87Å; L355-V371 HydrophobicContact CD2-CG1 3.74Å |
| 356 | H | 98.6 | Very high | 98.5 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | -176.1 | -71.6 | -46.2 | 0 | 0 | 0 | 111.4 | L352 D353 H358 T359 D383 I386 | L352-H356 PolarHBondContact O-CD2 3.13Å; L352-H356 VanDerWaalsContact O-CG 3.25Å; L352-H356 PolarHBondContact O-N 2.87Å; D353-H356 PolarHBondContact O-N 3.19Å; H356-H358 PolarHBondContact O-N 3.09Å; H356-H358 VanDerWaalsContact O-N 3.1Å; H356-T359 WeakPolarHBondContact CA-OG1 3.35Å; H356-T359 PolarHBondContact O-N 3.36Å; H356-T359 PolarHBondContact O-OG1 2.9Å; H356-D383 IonicContact CE1-OD1 2.72Å; H356-D383 IonicContact NE2-OD1 2.58Å; H356-D383 PolarHBondContact NE2-OD1 3.36Å; H356-I386 HydrophobicContact CB-CG2 4.26Å; H356-I386 WeakPolarHBondContact ND1-CG2 3.29Å |
| 357 | E | 98.3 | Very high | 98.5 | Very high | 148 Ų | 148 | 46.2 Ų | 46.2 | 69% | 0.692 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -25.5 | 172.6 | -72.7 | -174.5 | -155.8 | 0 | 0 | 114.2 | D353 L355 | D353-E357 PolarHBondContact O-N 3.45Å; L355-E357 VanDerWaalsContact C-N 3.34Å; L355-E357 PolarHBondContact O-N 3.01Å |
| 358 | H | 98.4 | Very high | 98.5 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 18.1 | -174.2 | -63.2 | -52.8 | 0 | 0 | 0 | 114.1 | Y324 E354 L355 H356 E360 Q361 L362 | Y324-H358 VanDerWaalsContact CB-CD2 3.48Å; Y324-H358 WeakPolarHBondContact CB-CD2 3.4Å; Y324-H358 HydrophobicContact CD2-CB 3.58Å; Y324-H358 AromaticContact CD2-CG 3.87Å; Y324-H358 HydrophobicContact CE2-CB 4.24Å; Y324-H358 HydrophobicContact CG-CB 4.19Å; Y324-H358 AromaticContact CG-CD2 3.99Å; Y324-H358 AromaticContact CG-CG 3.98Å; E354-H358 PolarHBondContact O-CD2 2.92Å; L355-H358 CarbonylContact O-C 3.49Å; L355-H358 PolarHBondContact O-N 3.01Å; H356-H358 PolarHBondContact O-N 3.09Å; H356-H358 VanDerWaalsContact O-N 3.1Å; H358-E360 VanDerWaalsContact C-N 3.35Å; H358-E360 PolarHBondContact O-N 2.96Å; H358-Q361 VanDerWaalsContact C-OE1 3.29Å; H358-Q361 PolarHBondContact O-N 3.04Å; H358-Q361 PolarHBondContact O-OE1 3.05Å; H358-Q361 VanDerWaalsContact O-OE1 3.11Å; H358-L362 HydrophobicContact CB-CD1 4.01Å; H358-L362 HydrophobicContact CB-CG 4.27Å; H358-L362 WeakPolarHBondContact O-CB 3.45Å; H358-L362 VanDerWaalsContact O-CG 3.29Å; H358-L362 WeakPolarHBondContact O-CG 3.36Å; H358-L362 PolarHBondContact O-N 3.17Å |
| 359 | T | 98.5 | Very high | 98.5 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -51 | -47.9 | -175.3 | -62.6 | 0 | 0 | 0 | 0 | 113.3 | L355 H356 Q361 L362 I363 L387 S390 | L355-T359 PolarHBondContact O-N 2.98Å; H356-T359 WeakPolarHBondContact CA-OG1 3.35Å; H356-T359 PolarHBondContact O-N 3.36Å; H356-T359 PolarHBondContact O-OG1 2.9Å; T359-Q361 VanDerWaalsContact C-N 3.32Å; T359-Q361 PolarHBondContact O-N 3.09Å; T359-L362 PolarHBondContact O-N 3.26Å; T359-I363 HydrophobicContact CG2-CD1 3.54Å; T359-I363 HydrophobicContact CG2-CG1 4.13Å; T359-I363 WeakPolarHBondContact O-CB 3.46Å; T359-I363 WeakPolarHBondContact O-CG1 3.11Å; T359-I363 PolarHBondContact O-N 3.04Å; T359-L387 HydrophobicContact CG2-CD2 3.56Å; T359-S390 VanDerWaalsContact CG2-CB 3.46Å; T359-S390 WeakPolarHBondContact CG2-OG 3.38Å |
| 360 | E | 97.8 | Very high | 98.6 | Very high | 97 Ų | 97 | 48.1 Ų | 48.1 | 45% | 0.453 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67 | -34.1 | -172 | -56.6 | -151.4 | -170.3 | 0 | 0 | 113.5 | H358 Q364 K394 | H358-E360 VanDerWaalsContact C-N 3.35Å; H358-E360 PolarHBondContact O-N 2.96Å; E360-Q364 PolarHBondContact O-NE2 2.96Å; E360-K394 IonicContact OE1-NZ 2.71Å; E360-K394 PolarHBondContact OE1-NZ 2.92Å; E360-K394 IonicContact OE2-NZ 2.76Å; E360-K394 PolarHBondContact OE2-NZ 3.3Å |
| 361 | Q | 98.7 | Very high | 98.6 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 41% | 0.411 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -73.4 | -48.4 | 175 | -59.3 | 86.5 | -26.4 | 0 | 0 | 109.9 | Y324 H358 T359 I363 Q364 D365 | Y324-Q361 HydrophobicContact CE2-CB 3.69Å; Y324-Q361 HydrophobicContact CE2-CG 4.47Å; H358-Q361 VanDerWaalsContact C-OE1 3.29Å; H358-Q361 PolarHBondContact O-N 3.04Å; H358-Q361 PolarHBondContact O-OE1 3.05Å; H358-Q361 VanDerWaalsContact O-OE1 3.11Å; T359-Q361 VanDerWaalsContact C-N 3.32Å; T359-Q361 PolarHBondContact O-N 3.09Å; Q361-I363 PolarHBondContact O-N 3.01Å; Q361-Q364 PolarHBondContact O-N 3.29Å; Q361-D365 PolarHBondContact O-N 3.01Å |
| 362 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.6 | -36.2 | -177.4 | -70.5 | 172.2 | 0 | 0 | 0 | 112.9 | Y324 T328 L355 H358 T359 Q364 D365 G368 N369 I372 | Y324-L362 HydrophobicContact CD2-CD1 4.45Å; Y324-L362 HydrophobicContact CD2-CD2 3.74Å; Y324-L362 HydrophobicContact CD2-CG 3.92Å; Y324-L362 HydrophobicContact CE2-CD2 3.95Å; Y324-L362 HydrophobicContact CE2-CG 4.13Å; T328-L362 HydrophobicContact CG2-CD2 3.81Å; L355-L362 HydrophobicContact CD2-CD1 3.62Å; H358-L362 HydrophobicContact CB-CD1 4.01Å; H358-L362 HydrophobicContact CB-CG 4.27Å; H358-L362 WeakPolarHBondContact O-CB 3.45Å; H358-L362 VanDerWaalsContact O-CG 3.29Å; H358-L362 WeakPolarHBondContact O-CG 3.36Å; H358-L362 PolarHBondContact O-N 3.17Å; T359-L362 PolarHBondContact O-N 3.26Å; L362-Q364 PolarHBondContact O-N 3.47Å; L362-Q364 VanDerWaalsContact O-N 3.16Å; L362-D365 PolarHBondContact O-N 3.27Å; L362-G368 CarbonylContact O-C 3.48Å; L362-N369 WeakPolarHBondContact O-CA 3.4Å; L362-N369 PolarHBondContact O-N 3.4Å; L362-I372 HydrophobicContact CB-CD1 3.78Å; L362-I372 HydrophobicContact CB-CG1 3.76Å; L362-I372 HydrophobicContact CD1-CD1 4.19Å |
| 363 | I | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -31.4 | 172.5 | -75.8 | 172.5 | 0 | 0 | 0 | 112.1 | T359 Q361 I372 V391 L398 A404 V407 | T359-I363 HydrophobicContact CG2-CD1 3.54Å; T359-I363 HydrophobicContact CG2-CG1 4.13Å; T359-I363 WeakPolarHBondContact O-CB 3.46Å; T359-I363 WeakPolarHBondContact O-CG1 3.11Å; T359-I363 PolarHBondContact O-N 3.04Å; Q361-I363 PolarHBondContact O-N 3.01Å; I363-I372 HydrophobicContact CG1-CG1 4.26Å; I363-I372 HydrophobicContact CG1-CG2 3.97Å; I363-V391 HydrophobicContact CD1-CG2 3.74Å; I363-L398 HydrophobicContact CG2-CD1 4.31Å; I363-L398 HydrophobicContact CG2-CD2 4.02Å; I363-A404 HydrophobicContact CG2-CB 3.58Å; I363-A404 WeakPolarHBondContact O-CA 3.43Å; I363-A404 WeakPolarHBondContact O-CB 3.23Å; I363-V407 HydrophobicContact CG1-CG1 4.2Å; I363-V407 HydrophobicContact CG2-CB 4.4Å; I363-V407 HydrophobicContact CG2-CG2 4.35Å |
| 364 | Q | 98.7 | Very high | 98.6 | Very high | 84 Ų | 84 | 42 Ų | 42 | 39% | 0.393 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -16.9 | -173.8 | -64.5 | 177.1 | 82.1 | 0 | 0 | 113.4 | E360 Q361 L362 L398 H401 F403 A404 | E360-Q364 PolarHBondContact O-NE2 2.96Å; Q361-Q364 PolarHBondContact O-N 3.29Å; L362-Q364 PolarHBondContact O-N 3.47Å; L362-Q364 VanDerWaalsContact O-N 3.16Å; Q364-L398 HydrophobicContact CG-CD2 4.06Å; Q364-H401 PolarHBondContact O-CE1 3.29Å; Q364-H401 VanDerWaalsContact O-CE1 3.29Å; Q364-F403 WeakPolarHBondContact O-CD2 2.98Å; Q364-A404 HydrophobicContact CG-CB 4.25Å |
| 365 | D | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 19% | 0.187 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -70.4 | 148 | 177.2 | 178.7 | -110.3 | 0 | 0 | 0 | 113.1 | T328 Q361 L362 Y367 G368 N369 | T328-D365 WeakPolarHBondContact CA-OD1 3.31Å; T328-D365 HydrophobicContact CG2-CB 3.97Å; Q361-D365 PolarHBondContact O-N 3.01Å; L362-D365 PolarHBondContact O-N 3.27Å; D365-Y367 PolarHBondContact O-N 3.22Å; D365-Y367 WeakPolarHBondContact OD1-CA 3.44Å; D365-Y367 PolarHBondContact OD1-N 2.82Å; D365-G368 PolarHBondContact OD1-N 2.8Å; D365-N369 WeakPolarHBondContact O-CB 3.44Å; D365-N369 PolarHBondContact O-N 3.44Å; D365-N369 PolarHBondContact O-ND2 3.49Å |
| 366 | Q | 98.6 | Very high | 98.7 | Very high | 94 Ų | 94 | 40.8 Ų | 40.8 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.4 | -178.8 | 72.5 | -170.3 | -39.7 | 0 | 0 | 114.4 | N369 Y370 F403 | Q366-N369 PolarHBondContact O-ND2 3.22Å; Q366-Y370 WeakPolarHBondContact O-CE2 3.2Å; Q366-F403 HydrophobicContact CB-CD1 4.38Å; Q366-F403 HydrophobicContact CB-CD2 4.23Å; Q366-F403 HydrophobicContact CB-CE1 3.84Å; Q366-F403 HydrophobicContact CB-CE2 3.66Å; Q366-F403 HydrophobicContact CB-CZ 3.44Å; Q366-F403 VanDerWaalsContact CB-CZ 3.44Å |
| 367 | Y | 98.7 | Very high | 98.7 | Very high | 71 Ų | 71 | 42.4 Ų | 42.4 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -41.1 | 175.9 | -56.8 | -59.1 | 0 | 0 | 0 | 111.7 | S327 T328 P330 D365 N369 Y370 | S327-Y367 CarbonylContact O-C 3.55Å; T328-Y367 WeakPolarHBondContact O-CD2 3.49Å; P330-Y367 HydrophobicContact CB-CD1 4.46Å; P330-Y367 HydrophobicContact CB-CD2 4.48Å; P330-Y367 HydrophobicContact CB-CE1 3.9Å; P330-Y367 HydrophobicContact CB-CE2 3.91Å; P330-Y367 HydrophobicContact CG-CE2 4.25Å; D365-Y367 PolarHBondContact O-N 3.22Å; D365-Y367 WeakPolarHBondContact OD1-CA 3.44Å; D365-Y367 PolarHBondContact OD1-N 2.82Å; Y367-N369 PolarHBondContact O-N 3.45Å; Y367-Y370 WeakPolarHBondContact O-CB 3.11Å; Y367-Y370 PolarHBondContact O-N 2.84Å |
| 368 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.9 | -34.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S327 L362 D365 Y370 V371 I372 | S327-G368 WeakPolarHBondContact O-CA 3.26Å; S327-G368 PolarHBondContact O-N 3.04Å; S327-G368 VanDerWaalsContact O-N 3.15Å; L362-G368 CarbonylContact O-C 3.48Å; D365-G368 PolarHBondContact OD1-N 2.8Å; G368-Y370 PolarHBondContact O-N 3.49Å; G368-Y370 VanDerWaalsContact O-N 3.11Å; G368-V371 WeakPolarHBondContact O-CB 3.27Å; G368-V371 PolarHBondContact O-N 2.89Å; G368-I372 PolarHBondContact O-N 2.79Å; G368-I372 VanDerWaalsContact O-N 3.09Å |
| 369 | N | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -27.7 | 178.3 | 77.8 | 95.8 | 0 | 0 | 0 | 112.6 | L362 D365 Q366 Y367 Q373 F403 V407 | L362-N369 WeakPolarHBondContact O-CA 3.4Å; L362-N369 PolarHBondContact O-N 3.4Å; D365-N369 WeakPolarHBondContact O-CB 3.44Å; D365-N369 PolarHBondContact O-N 3.44Å; D365-N369 PolarHBondContact O-ND2 3.49Å; Q366-N369 PolarHBondContact O-ND2 3.22Å; Y367-N369 PolarHBondContact O-N 3.45Å; N369-Q373 WeakPolarHBondContact O-CB 3.37Å; N369-Q373 WeakPolarHBondContact O-CG 3.35Å; N369-Q373 PolarHBondContact O-N 3.14Å; N369-Q373 PolarHBondContact O-NE2 3.19Å; N369-Q373 PolarHBondContact OD1-NE2 3.36Å; N369-F403 HydrophobicContact CB-CB 4.12Å; N369-V407 HydrophobicContact CB-CG2 3.98Å |
| 370 | Y | 98.9 | Very high | 98.5 | Very high | 113 Ų | 113 | 44.8 Ų | 44.8 | 44% | 0.443 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74.5 | -34.3 | 175.6 | -65.2 | -73.1 | 0 | 0 | 0 | 112.3 | Q366 Y367 G368 Q373 H374 | Q366-Y370 WeakPolarHBondContact O-CE2 3.2Å; Y367-Y370 WeakPolarHBondContact O-CB 3.11Å; Y367-Y370 PolarHBondContact O-N 2.84Å; G368-Y370 PolarHBondContact O-N 3.49Å; G368-Y370 VanDerWaalsContact O-N 3.11Å; Y370-Q373 PolarHBondContact O-N 3.22Å; Y370-H374 WeakPolarHBondContact O-CB 3.44Å; Y370-H374 PolarHBondContact O-N 3.36Å |
| 371 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.2 | -44.4 | 174.4 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | C333 I336 L340 L355 G368 Q373 H374 V375 | C333-V371 HydrophobicContact CB-CG2 3.91Å; I336-V371 HydrophobicContact CB-CG2 4.48Å; I336-V371 HydrophobicContact CG2-CG1 3.57Å; I336-V371 HydrophobicContact CG2-CG2 4.2Å; L340-V371 HydrophobicContact CD1-CG1 4.25Å; L355-V371 HydrophobicContact CD1-CG1 3.87Å; L355-V371 HydrophobicContact CD2-CG1 3.74Å; G368-V371 WeakPolarHBondContact O-CB 3.27Å; G368-V371 PolarHBondContact O-N 2.89Å; V371-Q373 PolarHBondContact O-N 3.05Å; V371-H374 WeakPolarHBondContact O-CB 3.5Å; V371-H374 PolarHBondContact O-N 3.46Å; V371-V375 PolarHBondContact O-N 3.36Å; V371-V375 VanDerWaalsContact O-N 3.08Å |
| 372 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.4 | -55.8 | -55 | 0 | 0 | 0 | 111.5 | L362 I363 G368 H374 V375 L376 L387 V407 | L362-I372 HydrophobicContact CB-CD1 3.78Å; L362-I372 HydrophobicContact CB-CG1 3.76Å; L362-I372 HydrophobicContact CD1-CD1 4.19Å; I363-I372 HydrophobicContact CG1-CG1 4.26Å; I363-I372 HydrophobicContact CG1-CG2 3.97Å; G368-I372 PolarHBondContact O-N 2.79Å; G368-I372 VanDerWaalsContact O-N 3.09Å; I372-H374 VanDerWaalsContact C-N 3.33Å; I372-H374 PolarHBondContact O-N 3.42Å; I372-V375 PolarHBondContact O-N 3.21Å; I372-L376 HydrophobicContact CG2-CD1 4.15Å; I372-L376 WeakPolarHBondContact O-CG 3.47Å; I372-L376 PolarHBondContact O-N 2.97Å; I372-L387 HydrophobicContact CD1-CD2 3.97Å; I372-L387 HydrophobicContact CG2-CD1 4.07Å; I372-L387 HydrophobicContact CG2-CD2 4.1Å; I372-V407 HydrophobicContact CG2-CG1 3.71Å |
| 373 | Q | 98.9 | Very high | 98.5 | Very high | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 174 | -73.1 | 174.7 | 87.9 | 0 | 0 | 112.1 | N369 Y370 V371 V375 L376 E377 V407 K410 | N369-Q373 WeakPolarHBondContact O-CB 3.37Å; N369-Q373 WeakPolarHBondContact O-CG 3.35Å; N369-Q373 PolarHBondContact O-N 3.14Å; N369-Q373 PolarHBondContact O-NE2 3.19Å; N369-Q373 PolarHBondContact OD1-NE2 3.36Å; Y370-Q373 PolarHBondContact O-N 3.22Å; V371-Q373 PolarHBondContact O-N 3.05Å; Q373-V375 PolarHBondContact O-N 2.76Å; Q373-L376 WeakPolarHBondContact O-CB 3.47Å; Q373-L376 PolarHBondContact O-N 3.05Å; Q373-E377 WeakPolarHBondContact O-CG 3.48Å; Q373-E377 PolarHBondContact O-N 3.26Å; Q373-V407 HydrophobicContact CG-CG2 4.14Å; Q373-K410 HydrophobicContact CB-CG 3.92Å; Q373-K410 HydrophobicContact CG-CB 4.41Å; Q373-K410 HydrophobicContact CG-CG 3.58Å |
| 374 | H | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 6% | 0.06 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -46.1 | 176.9 | -178 | 86.6 | 0 | 0 | 0 | 111.9 | Q337 E341 Y370 V371 I372 L376 E377 H378 | Q337-H374 HydrophobicContact CG-CB 3.99Å; E341-H374 WeakPolarHBondContact CG-CE1 3.49Å; E341-H374 IonicContact OE1-CE1 3.88Å; E341-H374 PolarHBondContact OE1-CE1 2.85Å; E341-H374 IonicContact OE1-ND1 3.04Å; E341-H374 PolarHBondContact OE1-ND1 2.93Å; E341-H374 IonicContact OE1-NE2 3.65Å; Y370-H374 WeakPolarHBondContact O-CB 3.44Å; Y370-H374 PolarHBondContact O-N 3.36Å; V371-H374 WeakPolarHBondContact O-CB 3.5Å; V371-H374 PolarHBondContact O-N 3.46Å; I372-H374 VanDerWaalsContact C-N 3.33Å; I372-H374 PolarHBondContact O-N 3.42Å; H374-L376 VanDerWaalsContact C-N 3.34Å; H374-L376 PolarHBondContact O-N 2.9Å; H374-E377 PolarHBondContact O-N 3.2Å; H374-H378 AromaticContact CE1-CD2 3.41Å; H374-H378 PolarHBondContact CE1-CD2 3.39Å; H374-H378 VanDerWaalsContact CE1-CD2 3.41Å; H374-H378 AromaticContact CE1-CG 3.91Å; H374-H378 AromaticContact ND1-CD2 3.54Å; H374-H378 AromaticContact NE2-CD2 3.98Å; H374-H378 PolarHBondContact O-N 3.47Å |
| 375 | V | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -38.6 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | L340 L352 V371 I372 Q373 E377 G379 D383 K384 L387 | L340-V375 HydrophobicContact CD1-CG2 3.84Å; L352-V375 HydrophobicContact CD2-CG1 4.14Å; L352-V375 HydrophobicContact CD2-CG2 3.93Å; V371-V375 PolarHBondContact O-N 3.36Å; V371-V375 VanDerWaalsContact O-N 3.08Å; I372-V375 PolarHBondContact O-N 3.21Å; Q373-V375 PolarHBondContact O-N 2.76Å; V375-E377 VanDerWaalsContact C-N 3.3Å; V375-E377 PolarHBondContact O-N 2.97Å; V375-G379 WeakPolarHBondContact O-CA 3.47Å; V375-G379 PolarHBondContact O-N 3.27Å; V375-D383 HydrophobicContact CG1-CB 3.63Å; V375-K384 WeakPolarHBondContact O-CE 3.5Å; V375-L387 HydrophobicContact CB-CD1 3.73Å; V375-L387 HydrophobicContact CG1-CD1 3.53Å |
| 376 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -32.2 | 174.2 | -71.7 | 166.8 | 0 | 0 | 0 | 113.1 | I372 Q373 H374 K384 L387 I388 V407 K410 C411 H414 | I372-L376 HydrophobicContact CG2-CD1 4.15Å; I372-L376 WeakPolarHBondContact O-CG 3.47Å; I372-L376 PolarHBondContact O-N 2.97Å; Q373-L376 WeakPolarHBondContact O-CB 3.47Å; Q373-L376 PolarHBondContact O-N 3.05Å; H374-L376 VanDerWaalsContact C-N 3.34Å; H374-L376 PolarHBondContact O-N 2.9Å; L376-K384 HydrophobicContact CD2-CB 4.32Å; L376-K384 VanDerWaalsContact O-CD 3.32Å; L376-K384 WeakPolarHBondContact O-CD 3.4Å; L376-K384 WeakPolarHBondContact O-CE 3.36Å; L376-K384 PolarHBondContact O-NZ 3.28Å; L376-L387 HydrophobicContact CD2-CB 4.12Å; L376-L387 HydrophobicContact CD2-CD1 4.31Å; L376-L387 HydrophobicContact CG-CD1 4.12Å; L376-I388 HydrophobicContact CD2-CG1 4.25Å; L376-V407 HydrophobicContact CD1-CG1 3.68Å; L376-K410 HydrophobicContact CB-CB 4Å; L376-K410 HydrophobicContact CD1-CB 3.86Å; L376-C411 VanDerWaalsContact CD1-SG 3.54Å; L376-H414 WeakPolarHBondContact O-CB 3.28Å |
| 377 | E | 98.6 | Very high | 98.5 | Very high | 69 Ų | 69 | 41.9 Ų | 41.9 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -81.1 | -50.6 | 177 | -71.8 | -176.9 | 115 | 0 | 0 | 111.7 | Q373 H374 V375 K384 K410 H414 | Q373-E377 WeakPolarHBondContact O-CG 3.48Å; Q373-E377 PolarHBondContact O-N 3.26Å; H374-E377 PolarHBondContact O-N 3.2Å; V375-E377 VanDerWaalsContact C-N 3.3Å; V375-E377 PolarHBondContact O-N 2.97Å; E377-K384 VanDerWaalsContact C-NZ 3.34Å; E377-K384 PolarHBondContact O-NZ 3.21Å; E377-K410 HydrophobicContact CG-CD 4Å; E377-K410 IonicContact OE1-NZ 3.86Å; E377-K410 PolarHBondContact OE1-NZ 3Å; E377-K410 IonicContact OE2-NZ 4Å; E377-K410 PolarHBondContact OE2-NZ 3.45Å; E377-H414 IonicContact OE1-NE2 3.84Å |
| 378 | H | 97.3 | Very high | 98.5 | Very high | 132 Ų | 132 | 38.6 Ų | 38.6 | 61% | 0.611 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -112.9 | -19.2 | -164.9 | -56.7 | -75.7 | 0 | 0 | 0 | 115.8 | H374 | H374-H378 AromaticContact CE1-CD2 3.41Å; H374-H378 PolarHBondContact CE1-CD2 3.39Å; H374-H378 VanDerWaalsContact CE1-CD2 3.41Å; H374-H378 AromaticContact CE1-CG 3.91Å; H374-H378 AromaticContact ND1-CD2 3.54Å; H374-H378 AromaticContact NE2-CD2 3.98Å; H374-H378 PolarHBondContact O-N 3.47Å |
| 379 | G | 96.8 | Very high | 98.5 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 29% | 0.289 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -70.5 | 178.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V375 K384 | V375-G379 WeakPolarHBondContact O-CA 3.47Å; V375-G379 PolarHBondContact O-N 3.27Å; G379-K384 WeakPolarHBondContact O-CE 3.45Å |
| 380 | K | 97.4 | Very high | 98.4 | Very high | 92 Ų | 92 | 44.2 Ų | 44.2 | 40% | 0.4 | 22% | 0.22 | S | C | . | . | trans | -72.1 | 153.9 | 177.5 | -55.1 | 169.5 | -70.5 | 163.6 | 0 | 110 | E382 D383 K384 | K380-E382 HydrophobicContact CB-CG 3.93Å; K380-E382 WeakPolarHBondContact CD-OE1 3.46Å; K380-E382 WeakPolarHBondContact CE-OE1 3.26Å; K380-E382 IonicContact NZ-OE1 2.88Å; K380-E382 PolarHBondContact NZ-OE1 2.91Å; K380-E382 PolarHBondContact O-N 2.83Å; K380-D383 WeakPolarHBondContact CB-OD2 3.49Å; K380-D383 WeakPolarHBondContact CE-OD2 3.3Å; K380-D383 PolarHBondContact N-OD2 3.1Å; K380-D383 IonicContact NZ-OD2 3.64Å; K380-D383 PolarHBondContact O-N 3.32Å; K380-D383 VanDerWaalsContact O-N 3.14Å; K380-K384 WeakPolarHBondContact O-CG 3.12Å; K380-K384 PolarHBondContact O-N 3.46Å | ||
| 381 | Q | 98.3 | Very high | 98.4 | Very high | 87 Ų | 87 | 38.9 Ų | 38.9 | 41% | 0.407 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.4 | -32.7 | -178.1 | 180 | 56.9 | 67.5 | 0 | 0 | 112.9 | K384 S385 T416 | Q381-K384 PolarHBondContact O-N 3.28Å; Q381-S385 PolarHBondContact NE2-OG 3.4Å; Q381-S385 VanDerWaalsContact NE2-OG 3.16Å; Q381-S385 PolarHBondContact O-N 3.43Å; Q381-S385 PolarHBondContact O-OG 3.41Å; Q381-T416 HydrophobicContact CG-CG2 4.43Å |
| 382 | E | 98.3 | Very high | 98.3 | Very high | 115 Ų | 115 | 46.4 Ų | 46.4 | 54% | 0.537 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 174.4 | 60.1 | -162.1 | -178.4 | 0 | 0 | 112.6 | K380 K384 S385 I386 | K380-E382 HydrophobicContact CB-CG 3.93Å; K380-E382 WeakPolarHBondContact CD-OE1 3.46Å; K380-E382 WeakPolarHBondContact CE-OE1 3.26Å; K380-E382 IonicContact NZ-OE1 2.88Å; K380-E382 PolarHBondContact NZ-OE1 2.91Å; K380-E382 PolarHBondContact O-N 2.83Å; E382-K384 VanDerWaalsContact C-N 3.33Å; E382-K384 PolarHBondContact O-N 3.28Å; E382-S385 PolarHBondContact O-N 3.45Å; E382-I386 WeakPolarHBondContact O-CG1 3.44Å; E382-I386 PolarHBondContact O-N 3.2Å |
| 383 | D | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 175.9 | -57.3 | -60.1 | 0 | 0 | 0 | 111.3 | H356 V375 K380 S385 I386 L387 | H356-D383 IonicContact CE1-OD1 2.72Å; H356-D383 IonicContact NE2-OD1 2.58Å; H356-D383 PolarHBondContact NE2-OD1 3.36Å; V375-D383 HydrophobicContact CG1-CB 3.63Å; K380-D383 WeakPolarHBondContact CB-OD2 3.49Å; K380-D383 WeakPolarHBondContact CE-OD2 3.3Å; K380-D383 PolarHBondContact N-OD2 3.1Å; K380-D383 IonicContact NZ-OD2 3.64Å; K380-D383 PolarHBondContact O-N 3.32Å; K380-D383 VanDerWaalsContact O-N 3.14Å; D383-S385 VanDerWaalsContact C-N 3.3Å; D383-S385 PolarHBondContact O-N 3.25Å; D383-I386 PolarHBondContact O-N 3.49Å; D383-L387 WeakPolarHBondContact O-CG 3.48Å; D383-L387 PolarHBondContact O-N 2.87Å |
| 384 | K | 98.7 | Very high | 98.1 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 10% | 0.096 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 177.6 | -59.3 | -173.4 | -168.8 | -156.1 | 0 | 111 | V375 L376 E377 G379 K380 Q381 E382 L387 I388 | V375-K384 WeakPolarHBondContact O-CE 3.5Å; L376-K384 HydrophobicContact CD2-CB 4.32Å; L376-K384 VanDerWaalsContact O-CD 3.32Å; L376-K384 WeakPolarHBondContact O-CD 3.4Å; L376-K384 WeakPolarHBondContact O-CE 3.36Å; L376-K384 PolarHBondContact O-NZ 3.28Å; E377-K384 VanDerWaalsContact C-NZ 3.34Å; E377-K384 PolarHBondContact O-NZ 3.21Å; G379-K384 WeakPolarHBondContact O-CE 3.45Å; K380-K384 WeakPolarHBondContact O-CG 3.12Å; K380-K384 PolarHBondContact O-N 3.46Å; Q381-K384 PolarHBondContact O-N 3.28Å; E382-K384 VanDerWaalsContact C-N 3.33Å; E382-K384 PolarHBondContact O-N 3.28Å; K384-L387 PolarHBondContact O-N 3.29Å; K384-I388 HydrophobicContact CB-CD1 4.47Å; K384-I388 VanDerWaalsContact O-CB 3.32Å; K384-I388 WeakPolarHBondContact O-CB 3.07Å; K384-I388 VanDerWaalsContact O-CD1 3.29Å; K384-I388 WeakPolarHBondContact O-CD1 3.25Å; K384-I388 WeakPolarHBondContact O-CG1 3.49Å; K384-I388 PolarHBondContact O-N 2.99Å |
| 385 | S | 98.7 | Very high | 98.1 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 178 | -67.1 | 0 | 0 | 0 | 0 | 112.8 | Q381 E382 D383 N389 E419 | Q381-S385 PolarHBondContact NE2-OG 3.4Å; Q381-S385 VanDerWaalsContact NE2-OG 3.16Å; Q381-S385 PolarHBondContact O-N 3.43Å; Q381-S385 PolarHBondContact O-OG 3.41Å; E382-S385 PolarHBondContact O-N 3.45Å; D383-S385 VanDerWaalsContact C-N 3.3Å; D383-S385 PolarHBondContact O-N 3.25Å; S385-N389 WeakPolarHBondContact O-CB 3.45Å; S385-N389 VanDerWaalsContact O-CG 3.29Å; S385-N389 PolarHBondContact O-N 3.39Å; S385-N389 PolarHBondContact O-ND2 3.36Å; S385-E419 WeakPolarHBondContact CA-OE1 3.49Å; S385-E419 WeakPolarHBondContact CB-OE1 3.33Å; S385-E419 PolarHBondContact OG-OE1 3.46Å |
| 386 | I | 98.6 | Very high | 98 | Very high | 74 Ų | 74 | 52.6 Ų | 52.6 | 38% | 0.379 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.8 | -53.3 | 171.9 | -65.3 | 164.4 | 0 | 0 | 0 | 110.1 | H356 E382 D383 I388 N389 S390 | H356-I386 HydrophobicContact CB-CG2 4.26Å; H356-I386 WeakPolarHBondContact ND1-CG2 3.29Å; E382-I386 WeakPolarHBondContact O-CG1 3.44Å; E382-I386 PolarHBondContact O-N 3.2Å; D383-I386 PolarHBondContact O-N 3.49Å; I386-I388 VanDerWaalsContact C-N 3.33Å; I386-I388 PolarHBondContact O-N 2.97Å; I386-N389 WeakPolarHBondContact O-CB 3.3Å; I386-N389 PolarHBondContact O-N 3.37Å; I386-N389 VanDerWaalsContact O-N 3.1Å; I386-S390 PolarHBondContact O-N 2.72Å; I386-S390 PolarHBondContact O-OG 3.44Å |
| 387 | L | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.8 | -39.2 | -179.7 | -63.7 | 174 | 0 | 0 | 0 | 112.8 | T359 I372 V375 L376 D383 K384 S390 V391 | T359-L387 HydrophobicContact CG2-CD2 3.56Å; I372-L387 HydrophobicContact CD1-CD2 3.97Å; I372-L387 HydrophobicContact CG2-CD1 4.07Å; I372-L387 HydrophobicContact CG2-CD2 4.1Å; V375-L387 HydrophobicContact CB-CD1 3.73Å; V375-L387 HydrophobicContact CG1-CD1 3.53Å; L376-L387 HydrophobicContact CD2-CB 4.12Å; L376-L387 HydrophobicContact CD2-CD1 4.31Å; L376-L387 HydrophobicContact CG-CD1 4.12Å; D383-L387 WeakPolarHBondContact O-CG 3.48Å; D383-L387 PolarHBondContact O-N 2.87Å; K384-L387 PolarHBondContact O-N 3.29Å; L387-S390 PolarHBondContact O-N 2.87Å; L387-V391 PolarHBondContact O-N 2.69Å |
| 388 | I | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 175.5 | -74.8 | 161.3 | 0 | 0 | 0 | 111.4 | L376 K384 I386 S390 V391 R392 C411 A415 E419 L423 | L376-I388 HydrophobicContact CD2-CG1 4.25Å; K384-I388 HydrophobicContact CB-CD1 4.47Å; K384-I388 VanDerWaalsContact O-CB 3.32Å; K384-I388 WeakPolarHBondContact O-CB 3.07Å; K384-I388 VanDerWaalsContact O-CD1 3.29Å; K384-I388 WeakPolarHBondContact O-CD1 3.25Å; K384-I388 WeakPolarHBondContact O-CG1 3.49Å; K384-I388 PolarHBondContact O-N 2.99Å; I386-I388 VanDerWaalsContact C-N 3.33Å; I386-I388 PolarHBondContact O-N 2.97Å; I388-S390 VanDerWaalsContact C-N 3.3Å; I388-S390 PolarHBondContact O-N 2.95Å; I388-V391 PolarHBondContact O-N 3.45Å; I388-V391 VanDerWaalsContact O-N 3.14Å; I388-R392 PolarHBondContact O-N 3.45Å; I388-C411 HydrophobicContact CG1-CB 4.2Å; I388-A415 HydrophobicContact CD1-CB 3.61Å; I388-E419 HydrophobicContact CD1-CB 4.47Å; I388-E419 HydrophobicContact CG2-CB 4.1Å; I388-E419 HydrophobicContact CG2-CG 4.12Å; I388-L423 HydrophobicContact CG2-CD1 4.2Å |
| 389 | N | 98.4 | Very high | 98.1 | Very high | 94 Ų | 94 | 48.1 Ų | 48.1 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.5 | -34.5 | 177.2 | -76.7 | -42.5 | 0 | 0 | 0 | 112.1 | S385 I386 V391 R392 | S385-N389 WeakPolarHBondContact O-CB 3.45Å; S385-N389 VanDerWaalsContact O-CG 3.29Å; S385-N389 PolarHBondContact O-N 3.39Å; S385-N389 PolarHBondContact O-ND2 3.36Å; I386-N389 WeakPolarHBondContact O-CB 3.3Å; I386-N389 PolarHBondContact O-N 3.37Å; I386-N389 VanDerWaalsContact O-N 3.1Å; N389-V391 VanDerWaalsContact C-N 3.27Å; N389-V391 PolarHBondContact O-N 2.89Å; N389-R392 PolarHBondContact O-N 3.48Å |
| 390 | S | 98.3 | Very high | 98.1 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68 | -22.8 | 173.6 | -56.2 | 0 | 0 | 0 | 0 | 114.2 | T359 I386 L387 I388 K394 | T359-S390 VanDerWaalsContact CG2-CB 3.46Å; T359-S390 WeakPolarHBondContact CG2-OG 3.38Å; I386-S390 PolarHBondContact O-N 2.72Å; I386-S390 PolarHBondContact O-OG 3.44Å; L387-S390 PolarHBondContact O-N 2.87Å; I388-S390 VanDerWaalsContact C-N 3.3Å; I388-S390 PolarHBondContact O-N 2.95Å; S390-K394 WeakPolarHBondContact O-CD 3.23Å; S390-K394 WeakPolarHBondContact O-CE 3.29Å; S390-K394 PolarHBondContact O-NZ 3.42Å |
| 391 | V | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -86.8 | -28.2 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 112.5 | I363 L387 I388 N389 K394 V395 L398 V408 L423 | I363-V391 HydrophobicContact CD1-CG2 3.74Å; L387-V391 PolarHBondContact O-N 2.69Å; I388-V391 PolarHBondContact O-N 3.45Å; I388-V391 VanDerWaalsContact O-N 3.14Å; N389-V391 VanDerWaalsContact C-N 3.27Å; N389-V391 PolarHBondContact O-N 2.89Å; V391-K394 WeakPolarHBondContact O-CB 3.4Å; V391-K394 PolarHBondContact O-N 2.71Å; V391-K394 VanDerWaalsContact O-N 3.12Å; V391-V395 HydrophobicContact CG1-CG2 4.18Å; V391-V395 PolarHBondContact O-N 3.48Å; V391-L398 HydrophobicContact CB-CD1 4.27Å; V391-L398 HydrophobicContact CG1-CD1 4.16Å; V391-L398 HydrophobicContact CG2-CD1 4.08Å; V391-V408 HydrophobicContact CG1-CG2 4.09Å; V391-L423 HydrophobicContact CG1-CD2 4.22Å |
| 392 | R | 97.3 | Very high | 98.2 | Very high | 159 Ų | 159 | 50.1 Ų | 50.1 | 60% | 0.6 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 140.1 | -179.5 | -169.6 | 176.9 | 179.7 | -178 | -1.9 | 111.9 | I388 N389 K394 L423 | I388-R392 PolarHBondContact O-N 3.45Å; N389-R392 PolarHBondContact O-N 3.48Å; R392-K394 PolarHBondContact O-N 3.16Å; R392-L423 HydrophobicContact CB-CD2 4.48Å |
| 393 | G | 96.1 | Very high | 98.2 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 66% | 0.66 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -4.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E426 | G393-E426 VanDerWaalsContact CA-OE1 3.31Å; G393-E426 WeakPolarHBondContact CA-OE1 3.3Å; G393-E426 VanDerWaalsContact N-CD 3.29Å; G393-E426 PolarHBondContact N-OE1 3.17Å; G393-E426 PolarHBondContact N-OE2 3.39Å |
| 394 | K | 97.5 | Very high | 98.2 | Very high | 64 Ų | 64 | 46.8 Ų | 46.8 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | trans | -125.7 | 5.3 | -174.4 | -51.8 | 176.2 | -161.5 | 160.6 | 0 | 112.6 | E360 S390 V391 R392 L396 V397 L398 E426 | E360-K394 IonicContact OE1-NZ 2.71Å; E360-K394 PolarHBondContact OE1-NZ 2.92Å; E360-K394 IonicContact OE2-NZ 2.76Å; E360-K394 PolarHBondContact OE2-NZ 3.3Å; S390-K394 WeakPolarHBondContact O-CD 3.23Å; S390-K394 WeakPolarHBondContact O-CE 3.29Å; S390-K394 PolarHBondContact O-NZ 3.42Å; V391-K394 WeakPolarHBondContact O-CB 3.4Å; V391-K394 PolarHBondContact O-N 2.71Å; V391-K394 VanDerWaalsContact O-N 3.12Å; R392-K394 PolarHBondContact O-N 3.16Å; K394-L396 VanDerWaalsContact C-N 3.31Å; K394-L396 PolarHBondContact O-N 3.1Å; K394-V397 PolarHBondContact O-N 3.46Å; K394-L398 HydrophobicContact CB-CD1 3.81Å; K394-L398 HydrophobicContact CB-CG 4.04Å; K394-L398 PolarHBondContact O-N 3.29Å; K394-E426 PolarHBondContact N-OE1 2.75Å; K394-E426 VanDerWaalsContact N-OE1 3.13Å | ||
| 395 | V | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.8 | -43.7 | -169.9 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | V391 V397 S399 V408 L423 E426 V427 M451 | V391-V395 HydrophobicContact CG1-CG2 4.18Å; V391-V395 PolarHBondContact O-N 3.48Å; V395-V397 PolarHBondContact O-N 2.81Å; V395-S399 WeakPolarHBondContact O-CB 3.23Å; V395-S399 PolarHBondContact O-N 3.06Å; V395-S399 PolarHBondContact O-OG 3.4Å; V395-V408 HydrophobicContact CG1-CG1 4.03Å; V395-L423 HydrophobicContact CG2-CB 4.48Å; V395-L423 HydrophobicContact CG2-CD2 3.67Å; V395-E426 VanDerWaalsContact CB-OE1 3.24Å; V395-E426 WeakPolarHBondContact CB-OE1 3.49Å; V395-E426 VanDerWaalsContact CG2-OE1 3.27Å; V395-E426 WeakPolarHBondContact CG2-OE1 3.14Å; V395-E426 PolarHBondContact N-OE1 2.8Å; V395-V427 HydrophobicContact CB-CG1 4.04Å; V395-V427 HydrophobicContact CG1-CG1 3.62Å; V395-M451 HydrophobicContact CG1-CE 3.79Å |
| 396 | L | 97.3 | Very high | 98.3 | Very high | 36 Ų | 36 | 47.1 Ų | 47.1 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 177.6 | 173.3 | 60.7 | 0 | 0 | 0 | 112.8 | K394 Q400 A434 V437 M438 | K394-L396 VanDerWaalsContact C-N 3.31Å; K394-L396 PolarHBondContact O-N 3.1Å; L396-Q400 PolarHBondContact O-NE2 3.48Å; L396-A434 HydrophobicContact CB-CB 4.46Å; L396-A434 HydrophobicContact CD1-CB 4.05Å; L396-A434 HydrophobicContact CD2-CB 3.92Å; L396-A434 HydrophobicContact CG-CB 4.36Å; L396-V437 HydrophobicContact CD1-CB 4.34Å; L396-V437 HydrophobicContact CD1-CG1 4.22Å; L396-M438 HydrophobicContact CD1-CG 3.55Å; L396-M438 HydrophobicContact CD1-SD 4.08Å |
| 397 | V | 97.9 | Very high | 98.3 | Very high | 99 Ų | 99 | 43.6 Ų | 43.6 | 60% | 0.6 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -76.4 | -49.8 | -176 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | K394 V395 S399 Q400 | K394-V397 PolarHBondContact O-N 3.46Å; V395-V397 PolarHBondContact O-N 2.81Å; V397-S399 VanDerWaalsContact C-N 3.28Å; V397-S399 PolarHBondContact O-N 3.35Å; V397-Q400 PolarHBondContact O-N 3.05Å; V397-Q400 VanDerWaalsContact O-N 3.09Å |
| 398 | L | 98.7 | Very high | 98.3 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -33.9 | -179.4 | -64.4 | 175.5 | 0 | 0 | 0 | 112.1 | I363 Q364 V391 K394 Q400 H401 A404 S405 V408 | I363-L398 HydrophobicContact CG2-CD1 4.31Å; I363-L398 HydrophobicContact CG2-CD2 4.02Å; Q364-L398 HydrophobicContact CG-CD2 4.06Å; V391-L398 HydrophobicContact CB-CD1 4.27Å; V391-L398 HydrophobicContact CG1-CD1 4.16Å; V391-L398 HydrophobicContact CG2-CD1 4.08Å; K394-L398 HydrophobicContact CB-CD1 3.81Å; K394-L398 HydrophobicContact CB-CG 4.04Å; K394-L398 PolarHBondContact O-N 3.29Å; L398-Q400 VanDerWaalsContact C-N 3.25Å; L398-Q400 PolarHBondContact O-N 3.23Å; L398-H401 PolarHBondContact O-N 3.3Å; L398-H401 VanDerWaalsContact O-N 3.12Å; L398-A404 HydrophobicContact CB-CB 4.02Å; L398-A404 HydrophobicContact CD2-CB 3.9Å; L398-A404 CarbonylContact O-C 3.58Å; L398-S405 PolarHBondContact O-N 3.42Å; L398-V408 HydrophobicContact CB-CG2 3.73Å |
| 399 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -29.3 | 175.1 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | V395 V397 H401 S405 M438 Y443 A444 | V395-S399 WeakPolarHBondContact O-CB 3.23Å; V395-S399 PolarHBondContact O-N 3.06Å; V395-S399 PolarHBondContact O-OG 3.4Å; V397-S399 VanDerWaalsContact C-N 3.28Å; V397-S399 PolarHBondContact O-N 3.35Å; S399-H401 VanDerWaalsContact C-N 3.29Å; S399-S405 WeakPolarHBondContact O-CB 3.44Å; S399-M438 WeakPolarHBondContact OG-CE 3.26Å; S399-Y443 CarbonylContact O-C 3.59Å; S399-A444 WeakPolarHBondContact O-CA 3.45Å; S399-A444 WeakPolarHBondContact O-CB 3.5Å; S399-A444 PolarHBondContact O-N 3.46Å |
| 400 | Q | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 42.9 Ų | 42.9 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 0.4 | 178.3 | -68.7 | 171.3 | 96.8 | 0 | 0 | 112.6 | L396 V397 L398 D441 Y443 A444 | L396-Q400 PolarHBondContact O-NE2 3.48Å; V397-Q400 PolarHBondContact O-N 3.05Å; V397-Q400 VanDerWaalsContact O-N 3.09Å; L398-Q400 VanDerWaalsContact C-N 3.25Å; L398-Q400 PolarHBondContact O-N 3.23Å; Q400-D441 HydrophobicContact CG-CB 4.18Å; Q400-Y443 WeakPolarHBondContact O-CD2 3.3Å; Q400-A444 HydrophobicContact CG-CB 3.97Å |
| 401 | H | 98.8 | Very high | 98.3 | Very high | 66 Ų | 66 | 41.7 Ų | 41.7 | 31% | 0.306 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -103.6 | 127.8 | -178.9 | -173.6 | -114.7 | 0 | 0 | 0 | 111.8 | Q364 L398 S399 F403 A404 S405 | Q364-H401 PolarHBondContact O-CE1 3.29Å; Q364-H401 VanDerWaalsContact O-CE1 3.29Å; L398-H401 PolarHBondContact O-N 3.3Å; L398-H401 VanDerWaalsContact O-N 3.12Å; S399-H401 VanDerWaalsContact C-N 3.29Å; H401-F403 AromaticContact CE1-CD2 3.89Å; H401-F403 PolarHBondContact O-N 3.21Å; H401-A404 HydrophobicContact CB-CB 4.14Å; H401-A404 PolarHBondContact O-N 3.35Å; H401-A404 VanDerWaalsContact O-N 3.16Å; H401-S405 WeakPolarHBondContact O-CB 3.23Å; H401-S405 PolarHBondContact O-N 3.39Å; H401-S405 PolarHBondContact O-OG 3.11Å |
| 402 | K | 98.4 | Very high | 98.3 | Very high | 113 Ų | 113 | 41.7 Ų | 41.7 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -38.4 | -170.3 | -179.4 | 174.6 | 178.7 | 178.9 | 0 | 115.5 | N406 Y443 | K402-N406 PolarHBondContact O-ND2 3.09Å; K402-Y443 HydrophobicContact CB-CD1 4.4Å; K402-Y443 HydrophobicContact CB-CD2 4.36Å; K402-Y443 HydrophobicContact CB-CE1 3.88Å; K402-Y443 HydrophobicContact CB-CE2 3.84Å; K402-Y443 HydrophobicContact CD-CE1 4.38Å; K402-Y443 HydrophobicContact CG-CD1 4.45Å; K402-Y443 HydrophobicContact CG-CE1 3.72Å |
| 403 | F | 98.7 | Very high | 98.4 | Very high | 51 Ų | 51 | 36.5 Ų | 36.5 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -40.9 | -177.8 | -57 | -59 | 0 | 0 | 0 | 111.9 | Q364 Q366 N369 H401 S405 N406 | Q364-F403 WeakPolarHBondContact O-CD2 2.98Å; Q366-F403 HydrophobicContact CB-CD1 4.38Å; Q366-F403 HydrophobicContact CB-CD2 4.23Å; Q366-F403 HydrophobicContact CB-CE1 3.84Å; Q366-F403 HydrophobicContact CB-CE2 3.66Å; Q366-F403 HydrophobicContact CB-CZ 3.44Å; Q366-F403 VanDerWaalsContact CB-CZ 3.44Å; N369-F403 HydrophobicContact CB-CB 4.12Å; H401-F403 AromaticContact CE1-CD2 3.89Å; H401-F403 PolarHBondContact O-N 3.21Å; F403-S405 PolarHBondContact O-N 2.86Å; F403-N406 PolarHBondContact O-N 3.23Å; F403-N406 PolarHBondContact O-ND2 3Å |
| 404 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.1 | -23.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I363 Q364 L398 H401 N406 V407 V408 | I363-A404 HydrophobicContact CG2-CB 3.58Å; I363-A404 WeakPolarHBondContact O-CA 3.43Å; I363-A404 WeakPolarHBondContact O-CB 3.23Å; Q364-A404 HydrophobicContact CG-CB 4.25Å; L398-A404 HydrophobicContact CB-CB 4.02Å; L398-A404 HydrophobicContact CD2-CB 3.9Å; L398-A404 CarbonylContact O-C 3.58Å; H401-A404 HydrophobicContact CB-CB 4.14Å; H401-A404 PolarHBondContact O-N 3.35Å; H401-A404 VanDerWaalsContact O-N 3.16Å; A404-N406 PolarHBondContact O-N 2.86Å; A404-V407 WeakPolarHBondContact O-CA 3.34Å; A404-V407 WeakPolarHBondContact O-CB 3.37Å; A404-V407 PolarHBondContact O-N 3.17Å; A404-V408 WeakPolarHBondContact O-CG2 3.15Å; A404-V408 PolarHBondContact O-N 3.01Å |
| 405 | S | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56 | -39.4 | 174.7 | 63.3 | 0 | 0 | 0 | 0 | 112 | L398 S399 H401 F403 V408 E409 | L398-S405 PolarHBondContact O-N 3.42Å; S399-S405 WeakPolarHBondContact O-CB 3.44Å; H401-S405 WeakPolarHBondContact O-CB 3.23Å; H401-S405 PolarHBondContact O-N 3.39Å; H401-S405 PolarHBondContact O-OG 3.11Å; F403-S405 PolarHBondContact O-N 2.86Å; S405-V408 PolarHBondContact O-N 3.38Å; S405-E409 PolarHBondContact O-N 2.86Å |
| 406 | N | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 36.3 Ų | 36.3 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.4 | -39.3 | 177.1 | -43.4 | -78.6 | 0 | 0 | 0 | 111 | K402 F403 A404 E409 K410 | K402-N406 PolarHBondContact O-ND2 3.09Å; F403-N406 PolarHBondContact O-N 3.23Å; F403-N406 PolarHBondContact O-ND2 3Å; A404-N406 PolarHBondContact O-N 2.86Å; N406-E409 WeakPolarHBondContact O-CB 3.13Å; N406-E409 PolarHBondContact O-N 3.41Å; N406-K410 PolarHBondContact O-N 2.85Å |
| 407 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 173 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | I363 N369 I372 Q373 L376 A404 E409 K410 C411 | I363-V407 HydrophobicContact CG1-CG1 4.2Å; I363-V407 HydrophobicContact CG2-CB 4.4Å; I363-V407 HydrophobicContact CG2-CG2 4.35Å; N369-V407 HydrophobicContact CB-CG2 3.98Å; I372-V407 HydrophobicContact CG2-CG1 3.71Å; Q373-V407 HydrophobicContact CG-CG2 4.14Å; L376-V407 HydrophobicContact CD1-CG1 3.68Å; A404-V407 WeakPolarHBondContact O-CA 3.34Å; A404-V407 WeakPolarHBondContact O-CB 3.37Å; A404-V407 PolarHBondContact O-N 3.17Å; V407-E409 VanDerWaalsContact C-N 3.28Å; V407-E409 PolarHBondContact O-N 3.3Å; V407-K410 CarbonylContact O-C 3.6Å; V407-K410 PolarHBondContact O-N 2.94Å; V407-C411 PolarHBondContact O-N 3.09Å; V407-C411 PolarHBondContact O-SG 3.14Å; V407-C411 VanDerWaalsContact O-SG 3.36Å |
| 408 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -38.2 | 177 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | V391 V395 L398 A404 S405 C411 V412 V447 | V391-V408 HydrophobicContact CG1-CG2 4.09Å; V395-V408 HydrophobicContact CG1-CG1 4.03Å; L398-V408 HydrophobicContact CB-CG2 3.73Å; A404-V408 WeakPolarHBondContact O-CG2 3.15Å; A404-V408 PolarHBondContact O-N 3.01Å; S405-V408 PolarHBondContact O-N 3.38Å; V408-C411 PolarHBondContact O-N 3.31Å; V408-V412 PolarHBondContact O-N 2.75Å; V408-V447 HydrophobicContact CB-CG1 4.31Å; V408-V447 HydrophobicContact CB-CG2 4.36Å; V408-V447 HydrophobicContact CG1-CG1 3.58Å; V408-V447 HydrophobicContact CG1-CG2 4.49Å |
| 409 | E | 98.8 | Very high | 98.6 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 171.6 | -75.9 | -164.6 | -126.1 | 0 | 0 | 112.9 | S405 N406 V407 V412 T413 Y446 V447 K450 | S405-E409 PolarHBondContact O-N 2.86Å; N406-E409 WeakPolarHBondContact O-CB 3.13Å; N406-E409 PolarHBondContact O-N 3.41Å; V407-E409 VanDerWaalsContact C-N 3.28Å; V407-E409 PolarHBondContact O-N 3.3Å; E409-V412 WeakPolarHBondContact O-CG2 3.32Å; E409-T413 WeakPolarHBondContact O-CB 3.3Å; E409-T413 PolarHBondContact O-N 2.84Å; E409-T413 VanDerWaalsContact O-N 3.11Å; E409-T413 PolarHBondContact O-OG1 2.89Å; E409-Y446 VanDerWaalsContact OE1-CB 3.26Å; E409-Y446 WeakPolarHBondContact OE1-CB 3.47Å; E409-V447 HydrophobicContact CG-CG2 4.14Å; E409-K450 HydrophobicContact CB-CB 4.4Å; E409-K450 HydrophobicContact CB-CG 4.1Å; E409-K450 HydrophobicContact CG-CB 3.75Å; E409-K450 HydrophobicContact CG-CG 4.02Å; E409-K450 WeakPolarHBondContact OE2-CE 3.06Å; E409-K450 IonicContact OE2-NZ 3.98Å |
| 410 | K | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -42.4 | 173.7 | -61 | -58.2 | 174.3 | 145.2 | 0 | 111.5 | Q373 L376 E377 N406 V407 V412 T413 H414 | Q373-K410 HydrophobicContact CB-CG 3.92Å; Q373-K410 HydrophobicContact CG-CB 4.41Å; Q373-K410 HydrophobicContact CG-CG 3.58Å; L376-K410 HydrophobicContact CB-CB 4Å; L376-K410 HydrophobicContact CD1-CB 3.86Å; E377-K410 HydrophobicContact CG-CD 4Å; E377-K410 IonicContact OE1-NZ 3.86Å; E377-K410 PolarHBondContact OE1-NZ 3Å; E377-K410 IonicContact OE2-NZ 4Å; E377-K410 PolarHBondContact OE2-NZ 3.45Å; N406-K410 PolarHBondContact O-N 2.85Å; V407-K410 CarbonylContact O-C 3.6Å; V407-K410 PolarHBondContact O-N 2.94Å; K410-V412 PolarHBondContact O-N 3.03Å; K410-T413 PolarHBondContact O-N 3.11Å; K410-H414 PolarHBondContact O-CD2 2.89Å; K410-H414 VanDerWaalsContact O-CD2 3.27Å; K410-H414 PolarHBondContact O-N 3.42Å |
| 411 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.5 | -54.2 | 175.6 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | L376 I388 V407 V408 T413 H414 A415 L423 | L376-C411 VanDerWaalsContact CD1-SG 3.54Å; I388-C411 HydrophobicContact CG1-CB 4.2Å; V407-C411 PolarHBondContact O-N 3.09Å; V407-C411 PolarHBondContact O-SG 3.14Å; V407-C411 VanDerWaalsContact O-SG 3.36Å; V408-C411 PolarHBondContact O-N 3.31Å; C411-T413 PolarHBondContact O-N 3.01Å; C411-H414 PolarHBondContact O-N 3.49Å; C411-A415 WeakPolarHBondContact O-CB 3.46Å; C411-A415 PolarHBondContact O-N 3.18Å; C411-L423 HydrophobicContact CB-CD1 3.9Å |
| 412 | V | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.9 | -19.7 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 113.5 | V408 E409 K410 R420 L423 K450 M451 V454 | V408-V412 PolarHBondContact O-N 2.75Å; E409-V412 WeakPolarHBondContact O-CG2 3.32Å; K410-V412 PolarHBondContact O-N 3.03Å; V412-R420 VanDerWaalsContact O-CD 3.25Å; V412-R420 WeakPolarHBondContact O-CD 3.41Å; V412-L423 HydrophobicContact CG1-CB 4.07Å; V412-L423 HydrophobicContact CG1-CD1 4.06Å; V412-K450 HydrophobicContact CG2-CB 4.37Å; V412-K450 HydrophobicContact CG2-CG 3.65Å; V412-M451 HydrophobicContact CG1-CE 4.11Å; V412-M451 HydrophobicContact CG1-CG 4.31Å; V412-M451 HydrophobicContact CG2-CG 4.42Å; V412-V454 HydrophobicContact CB-CG2 4.08Å; V412-V454 HydrophobicContact CG2-CG2 4.03Å; V412-V454 WeakPolarHBondContact O-CG2 3.36Å |
| 413 | T | 98.6 | Very high | 98.4 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -82.2 | -43.9 | 177.2 | -55.3 | 0 | 0 | 0 | 0 | 112.8 | E409 K410 C411 K450 | E409-T413 WeakPolarHBondContact O-CB 3.3Å; E409-T413 PolarHBondContact O-N 2.84Å; E409-T413 VanDerWaalsContact O-N 3.11Å; E409-T413 PolarHBondContact O-OG1 2.89Å; K410-T413 PolarHBondContact O-N 3.11Å; C411-T413 PolarHBondContact O-N 3.01Å; T413-K450 WeakPolarHBondContact OG1-CD 3.49Å |
| 414 | H | 98.4 | Very high | 98.2 | Very high | 59 Ų | 59 | 32.2 Ų | 32.2 | 27% | 0.273 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -106.6 | -3.7 | -170.1 | -59.1 | -80.9 | 0 | 0 | 0 | 114.3 | L376 E377 K410 C411 | L376-H414 WeakPolarHBondContact O-CB 3.28Å; E377-H414 IonicContact OE1-NE2 3.84Å; K410-H414 PolarHBondContact O-CD2 2.89Å; K410-H414 VanDerWaalsContact O-CD2 3.27Å; K410-H414 PolarHBondContact O-N 3.42Å; C411-H414 PolarHBondContact O-N 3.49Å |
| 415 | A | 98.2 | Very high | 98 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 6% | 0.058 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -61.6 | 153.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I388 C411 E419 R420 | I388-A415 HydrophobicContact CD1-CB 3.61Å; C411-A415 WeakPolarHBondContact O-CB 3.46Å; C411-A415 PolarHBondContact O-N 3.18Å; A415-E419 HydrophobicContact CB-CB 3.74Å; A415-R420 HydrophobicContact CB-CB 4.06Å; A415-R420 PolarHBondContact O-NH1 3.31Å |
| 416 | T | 98.5 | Very high | 97.9 | Very high | 58 Ų | 58 | 34.8 Ų | 34.8 | 36% | 0.356 | 19% | 0.188 | S | C | . | . | trans | -60.5 | 165.5 | 164.4 | 66 | 0 | 0 | 0 | 0 | 111.4 | Q381 G418 E419 R420 | Q381-T416 HydrophobicContact CG-CG2 4.43Å; T416-G418 VanDerWaalsContact C-N 3.26Å; T416-G418 PolarHBondContact O-N 3.17Å; T416-E419 VanDerWaalsContact CB-OE2 3.25Å; T416-E419 WeakPolarHBondContact CB-OE2 3.41Å; T416-E419 VanDerWaalsContact CG2-OE2 3.27Å; T416-E419 WeakPolarHBondContact CG2-OE2 3.48Å; T416-E419 PolarHBondContact N-OE2 2.97Å; T416-E419 PolarHBondContact O-N 2.84Å; T416-E419 VanDerWaalsContact OG1-CD 3.24Å; T416-E419 WeakPolarHBondContact OG1-CG 3.46Å; T416-E419 PolarHBondContact OG1-N 3.03Å; T416-E419 PolarHBondContact OG1-OE2 3.44Å; T416-R420 VanDerWaalsContact O-CB 3.31Å; T416-R420 WeakPolarHBondContact O-CB 3.3Å; T416-R420 PolarHBondContact O-N 2.91Å | ||
| 417 | R | 97.9 | Very high | 97.6 | Very high | 169 Ų | 169 | 32.2 Ų | 32.2 | 64% | 0.638 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -57.3 | -37.5 | 179.8 | -58.1 | -178.3 | 63.5 | -160.4 | -2.8 | 113 | T421 E456 | R417-T421 WeakPolarHBondContact O-CB 3.48Å; R417-T421 PolarHBondContact O-N 3.45Å; R417-T421 VanDerWaalsContact O-N 3.13Å; R417-T421 PolarHBondContact O-OG1 3.09Å; R417-E456 WeakPolarHBondContact CG-OE1 3.42Å; R417-E456 IonicContact CZ-OE1 3.48Å; R417-E456 IonicContact CZ-OE2 2.79Å; R417-E456 VanDerWaalsContact CZ-OE2 3.3Å; R417-E456 IonicContact NE-OE1 3.98Å; R417-E456 PolarHBondContact NE-OE1 2.86Å; R417-E456 IonicContact NE-OE2 2.69Å; R417-E456 PolarHBondContact NE-OE2 3.36Å; R417-E456 VanDerWaalsContact NE-OE2 3.1Å; R417-E456 IonicContact NH2-OE2 2.69Å; R417-E456 PolarHBondContact NH2-OE2 3.32Å |
| 418 | G | 98 | Very high | 97 | Very high | 55 Ų | 55 | 32.5 Ų | 32.5 | 57% | 0.567 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -72.1 | -49.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T416 T421 G422 | T416-G418 VanDerWaalsContact C-N 3.26Å; T416-G418 PolarHBondContact O-N 3.17Å; G418-T421 WeakPolarHBondContact O-CB 3.33Å; G418-T421 PolarHBondContact O-N 3Å; G418-G422 PolarHBondContact O-N 3.48Å |
| 419 | E | 98.4 | Very high | 96.1 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 16% | 0.164 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 176.2 | -73.5 | 163.9 | 144.1 | 0 | 0 | 112.1 | S385 I388 A415 T416 T421 G422 L423 | S385-E419 WeakPolarHBondContact CA-OE1 3.49Å; S385-E419 WeakPolarHBondContact CB-OE1 3.33Å; S385-E419 PolarHBondContact OG-OE1 3.46Å; I388-E419 HydrophobicContact CD1-CB 4.47Å; I388-E419 HydrophobicContact CG2-CB 4.1Å; I388-E419 HydrophobicContact CG2-CG 4.12Å; A415-E419 HydrophobicContact CB-CB 3.74Å; T416-E419 VanDerWaalsContact CB-OE2 3.25Å; T416-E419 WeakPolarHBondContact CB-OE2 3.41Å; T416-E419 VanDerWaalsContact CG2-OE2 3.27Å; T416-E419 WeakPolarHBondContact CG2-OE2 3.48Å; T416-E419 PolarHBondContact N-OE2 2.97Å; T416-E419 PolarHBondContact O-N 2.84Å; T416-E419 VanDerWaalsContact OG1-CD 3.24Å; T416-E419 WeakPolarHBondContact OG1-CG 3.46Å; T416-E419 PolarHBondContact OG1-N 3.03Å; T416-E419 PolarHBondContact OG1-OE2 3.44Å; E419-T421 VanDerWaalsContact C-N 3.27Å; E419-T421 PolarHBondContact O-N 3.41Å; E419-G422 PolarHBondContact O-N 2.9Å; E419-L423 WeakPolarHBondContact O-CG 3.49Å; E419-L423 PolarHBondContact O-N 3.26Å |
| 420 | R | 98.4 | Very high | 94.6 | Very high | 35 Ų | 35 | 42 Ų | 42 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 175.5 | 175 | 173.4 | 55.7 | -99.5 | 0.8 | 111.4 | V412 A415 T416 I424 V454 E456 | V412-R420 VanDerWaalsContact O-CD 3.25Å; V412-R420 WeakPolarHBondContact O-CD 3.41Å; A415-R420 HydrophobicContact CB-CB 4.06Å; A415-R420 PolarHBondContact O-NH1 3.31Å; T416-R420 VanDerWaalsContact O-CB 3.31Å; T416-R420 WeakPolarHBondContact O-CB 3.3Å; T416-R420 PolarHBondContact O-N 2.91Å; R420-I424 HydrophobicContact CG-CD1 3.68Å; R420-I424 WeakPolarHBondContact O-CD1 3.43Å; R420-I424 VanDerWaalsContact O-CG1 3.27Å; R420-I424 WeakPolarHBondContact O-CG1 3.22Å; R420-I424 PolarHBondContact O-N 3.45Å; R420-I424 VanDerWaalsContact O-N 3.16Å; R420-V454 VanDerWaalsContact CD-O 3.28Å; R420-V454 WeakPolarHBondContact CD-O 3.29Å; R420-V454 PolarHBondContact NE-O 2.78Å; R420-E456 IonicContact CZ-OE1 2.74Å; R420-E456 IonicContact NH2-OE1 3.1Å; R420-E456 PolarHBondContact NH2-OE1 3.4Å |
| 421 | T | 97.4 | Very high | 93.2 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 175 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | R417 G418 E419 I424 D425 Q459 | R417-T421 WeakPolarHBondContact O-CB 3.48Å; R417-T421 PolarHBondContact O-N 3.45Å; R417-T421 VanDerWaalsContact O-N 3.13Å; R417-T421 PolarHBondContact O-OG1 3.09Å; G418-T421 WeakPolarHBondContact O-CB 3.33Å; G418-T421 PolarHBondContact O-N 3Å; E419-T421 VanDerWaalsContact C-N 3.27Å; E419-T421 PolarHBondContact O-N 3.41Å; T421-I424 PolarHBondContact O-N 3.41Å; T421-D425 WeakPolarHBondContact O-CB 3.33Å; T421-D425 PolarHBondContact O-N 2.85Å; T421-Q459 HydrophobicContact CG2-CG 4.17Å; T421-Q459 PolarHBondContact OG1-NE2 3.19Å |
| 422 | G | 96.6 | Very high | 91.7 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 27% | 0.268 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59 | -48.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | G418 E419 I424 D425 E426 | G418-G422 PolarHBondContact O-N 3.48Å; E419-G422 PolarHBondContact O-N 2.9Å; G422-I424 VanDerWaalsContact C-N 3.31Å; G422-I424 PolarHBondContact O-N 3.19Å; G422-D425 PolarHBondContact O-N 3.25Å; G422-E426 PolarHBondContact O-N 3.39Å |
| 423 | L | 97.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -33.4 | 179.9 | -65 | 174.7 | 0 | 0 | 0 | 113.2 | I388 V391 R392 V395 C411 V412 E419 | I388-L423 HydrophobicContact CG2-CD1 4.2Å; V391-L423 HydrophobicContact CG1-CD2 4.22Å; R392-L423 HydrophobicContact CB-CD2 4.48Å; V395-L423 HydrophobicContact CG2-CB 4.48Å; V395-L423 HydrophobicContact CG2-CD2 3.67Å; C411-L423 HydrophobicContact CB-CD1 3.9Å; V412-L423 HydrophobicContact CG1-CB 4.07Å; V412-L423 HydrophobicContact CG1-CD1 4.06Å; E419-L423 WeakPolarHBondContact O-CG 3.49Å; E419-L423 PolarHBondContact O-N 3.26Å |
| 424 | I | 96.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -80.3 | -38.9 | 177.9 | -64.3 | 167.7 | 0 | 0 | 0 | 110.8 | R420 T421 G422 E426 V427 C428 M451 Q459 L463 | R420-I424 HydrophobicContact CG-CD1 3.68Å; R420-I424 WeakPolarHBondContact O-CD1 3.43Å; R420-I424 VanDerWaalsContact O-CG1 3.27Å; R420-I424 WeakPolarHBondContact O-CG1 3.22Å; R420-I424 PolarHBondContact O-N 3.45Å; R420-I424 VanDerWaalsContact O-N 3.16Å; T421-I424 PolarHBondContact O-N 3.41Å; G422-I424 VanDerWaalsContact C-N 3.31Å; G422-I424 PolarHBondContact O-N 3.19Å; I424-E426 VanDerWaalsContact C-N 3.33Å; I424-E426 PolarHBondContact O-N 2.67Å; I424-V427 WeakPolarHBondContact O-CG2 3.47Å; I424-V427 PolarHBondContact O-N 3.21Å; I424-C428 WeakPolarHBondContact O-CB 3.46Å; I424-C428 PolarHBondContact O-N 3.03Å; I424-C428 PolarHBondContact O-SG 2.76Å; I424-M451 HydrophobicContact CG1-CB 4.32Å; I424-M451 HydrophobicContact CG1-CE 4.39Å; I424-M451 HydrophobicContact CG1-CG 3.97Å; I424-M451 HydrophobicContact CG1-SD 4.23Å; I424-Q459 HydrophobicContact CG2-CB 4.15Å; I424-L463 HydrophobicContact CG2-CD1 3.97Å; I424-L463 HydrophobicContact CG2-CD2 4.48Å; I424-L463 HydrophobicContact CG2-CG 4.1Å |
| 425 | D | 94.7 | Very high | 90.6 | Very high | 24 Ų | 24 | 48 Ų | 48 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.6 | -30.8 | 177.8 | -82.3 | -15.2 | 0 | 0 | 0 | 112.7 | T421 G422 V427 C428 T429 K462 | T421-D425 WeakPolarHBondContact O-CB 3.33Å; T421-D425 PolarHBondContact O-N 2.85Å; G422-D425 PolarHBondContact O-N 3.25Å; D425-V427 VanDerWaalsContact C-N 3.31Å; D425-V427 PolarHBondContact O-N 3.09Å; D425-C428 PolarHBondContact O-N 3.31Å; D425-T429 WeakPolarHBondContact O-CA 3.48Å; D425-T429 VanDerWaalsContact O-CB 3.29Å; D425-T429 WeakPolarHBondContact O-CB 3.25Å; D425-T429 PolarHBondContact O-N 2.72Å; D425-T429 PolarHBondContact O-OG1 2.86Å; D425-K462 WeakPolarHBondContact OD1-CD 3.33Å; D425-K462 WeakPolarHBondContact OD1-CE 3.3Å; D425-K462 IonicContact OD1-NZ 3.86Å; D425-K462 PolarHBondContact OD1-NZ 3.42Å; D425-K462 IonicContact OD2-NZ 2.68Å; D425-K462 PolarHBondContact OD2-NZ 3.43Å |
| 426 | E | 95 | Very high | 90.4 | Very high | 34 Ų | 34 | 49.2 Ų | 49.2 | 16% | 0.159 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -48.9 | -50.5 | 172 | -171.9 | 174.3 | 133.6 | 0 | 0 | 111.9 | G393 K394 V395 G422 I424 | G393-E426 VanDerWaalsContact CA-OE1 3.31Å; G393-E426 WeakPolarHBondContact CA-OE1 3.3Å; G393-E426 VanDerWaalsContact N-CD 3.29Å; G393-E426 PolarHBondContact N-OE1 3.17Å; G393-E426 PolarHBondContact N-OE2 3.39Å; K394-E426 PolarHBondContact N-OE1 2.75Å; K394-E426 VanDerWaalsContact N-OE1 3.13Å; V395-E426 VanDerWaalsContact CB-OE1 3.24Å; V395-E426 WeakPolarHBondContact CB-OE1 3.49Å; V395-E426 VanDerWaalsContact CG2-OE1 3.27Å; V395-E426 WeakPolarHBondContact CG2-OE1 3.14Å; V395-E426 PolarHBondContact N-OE1 2.8Å; G422-E426 PolarHBondContact O-N 3.39Å; I424-E426 VanDerWaalsContact C-N 3.33Å; I424-E426 PolarHBondContact O-N 2.67Å |
| 427 | V | 93.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -86.5 | -11.7 | -177.7 | -57.5 | 0 | 0 | 0 | 0 | 114.1 | V395 I424 D425 A434 L435 M438 M451 | V395-V427 HydrophobicContact CB-CG1 4.04Å; V395-V427 HydrophobicContact CG1-CG1 3.62Å; I424-V427 WeakPolarHBondContact O-CG2 3.47Å; I424-V427 PolarHBondContact O-N 3.21Å; D425-V427 VanDerWaalsContact C-N 3.31Å; D425-V427 PolarHBondContact O-N 3.09Å; V427-A434 HydrophobicContact CB-CB 4.31Å; V427-L435 HydrophobicContact CG2-CD1 4.2Å; V427-M438 HydrophobicContact CB-SD 3.91Å; V427-M438 HydrophobicContact CG1-CE 4.24Å; V427-M438 HydrophobicContact CG1-SD 3.58Å; V427-M438 VanDerWaalsContact CG1-SD 3.58Å; V427-M438 HydrophobicContact CG2-SD 4.43Å; V427-M451 HydrophobicContact CG2-CE 3.9Å; V427-M451 HydrophobicContact CG2-SD 3.77Å |
| 428 | C | 86.7 | Confident | 90.2 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -105.4 | -23.8 | -177.3 | -65.9 | 0 | 0 | 0 | 0 | 115 | I424 D425 K462 L463 K466 | I424-C428 WeakPolarHBondContact O-CB 3.46Å; I424-C428 PolarHBondContact O-N 3.03Å; I424-C428 PolarHBondContact O-SG 2.76Å; D425-C428 PolarHBondContact O-N 3.31Å; C428-K462 HydrophobicContact CB-CB 4.44Å; C428-L463 WeakPolarHBondContact SG-CD2 3.44Å; C428-K466 WeakPolarHBondContact O-CE 3.35Å |
| 429 | T | 79.8 | Confident | 90.2 | Very high | 69 Ų | 69 | 37.9 Ų | 37.9 | 42% | 0.423 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -123.9 | -36.8 | -167.7 | -53.7 | 0 | 0 | 0 | 0 | 113 | D425 | D425-T429 WeakPolarHBondContact O-CA 3.48Å; D425-T429 VanDerWaalsContact O-CB 3.29Å; D425-T429 WeakPolarHBondContact O-CB 3.25Å; D425-T429 PolarHBondContact O-N 2.72Å; D425-T429 PolarHBondContact O-OG1 2.86Å |
| 430 | F | 68 | Low | 90.1 | Very high | 167 Ų | 167 | 38.7 Ų | 38.7 | 73% | 0.732 | 20% | 0.204 | S | C | * | . | I | π-helix | trans | -97.2 | -21.2 | -172 | -63.5 | -85.7 | 0 | 0 | 0 | 114.4 | ||
| 431 | N | 67.9 | Low | 90 | Very high | 76 Ų | 76 | 38.3 Ų | 38.3 | 41% | 0.406 | 21% | 0.205 | S | C | . | . | trans | -136.4 | 96 | 178.6 | -175.8 | -24 | 0 | 0 | 0 | 109.8 | N433 A434 | N431-N433 PolarHBondContact O-N 3.17Å; N431-A434 HydrophobicContact CB-CB 3.82Å; N431-A434 VanDerWaalsContact O-CB 3.28Å; N431-A434 WeakPolarHBondContact O-CB 3.42Å; N431-A434 PolarHBondContact O-N 3.42Å; N431-A434 PolarHBondContact OD1-N 3.39Å | ||
| 432 | D | 67.9 | Low | 90.1 | Very high | 115 Ų | 115 | 40.6 Ų | 40.6 | 62% | 0.615 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.2 | -168.7 | -87.7 | -17.4 | 0 | 0 | 0 | 115.4 | K466 | D432-K466 IonicContact OD1-NZ 2.65Å; D432-K466 PolarHBondContact OD1-NZ 3.42Å |
| 433 | N | 85.6 | Confident | 90.1 | Very high | 87 Ų | 87 | 42.3 Ų | 42.3 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -8.6 | 179.7 | -160.4 | 26.6 | 0 | 0 | 0 | 112.8 | N431 H436 V437 | N431-N433 PolarHBondContact O-N 3.17Å; N433-H436 PolarHBondContact O-N 3.19Å; N433-H436 PolarHBondContact OD1-ND1 3.42Å; N433-V437 WeakPolarHBondContact O-CG2 3.43Å; N433-V437 PolarHBondContact O-N 2.69Å |
| 434 | A | 93.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.2 | -55.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L396 V427 N431 H436 V437 M438 | L396-A434 HydrophobicContact CB-CB 4.46Å; L396-A434 HydrophobicContact CD1-CB 4.05Å; L396-A434 HydrophobicContact CD2-CB 3.92Å; L396-A434 HydrophobicContact CG-CB 4.36Å; V427-A434 HydrophobicContact CB-CB 4.31Å; N431-A434 HydrophobicContact CB-CB 3.82Å; N431-A434 VanDerWaalsContact O-CB 3.28Å; N431-A434 WeakPolarHBondContact O-CB 3.42Å; N431-A434 PolarHBondContact O-N 3.42Å; N431-A434 PolarHBondContact OD1-N 3.39Å; A434-H436 PolarHBondContact O-N 3.44Å; A434-V437 PolarHBondContact O-N 3.23Å; A434-V437 VanDerWaalsContact O-N 3.13Å; A434-M438 VanDerWaalsContact O-CG 3.28Å; A434-M438 WeakPolarHBondContact O-CG 3.3Å; A434-M438 PolarHBondContact O-N 3.4Å |
| 435 | L | 93.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -37.4 | 178.3 | -165.6 | 71.6 | 0 | 0 | 0 | 112.2 | V427 M438 M439 V448 L463 K466 I467 | V427-L435 HydrophobicContact CG2-CD1 4.2Å; L435-M438 PolarHBondContact O-N 3.3Å; L435-M439 WeakPolarHBondContact O-CB 3.27Å; L435-M439 VanDerWaalsContact O-CG 3.26Å; L435-M439 WeakPolarHBondContact O-CG 3.16Å; L435-M439 PolarHBondContact O-N 2.95Å; L435-V448 HydrophobicContact CD1-CG1 4.04Å; L435-V448 HydrophobicContact CD1-CG2 3.81Å; L435-L463 HydrophobicContact CD1-CD2 3.65Å; L435-L463 HydrophobicContact CD2-CD2 3.87Å; L435-L463 HydrophobicContact CG-CD2 4.44Å; L435-K466 HydrophobicContact CD2-CB 3.64Å; L435-I467 HydrophobicContact CD2-CD1 4.33Å; L435-I467 HydrophobicContact CD2-CG1 3.71Å |
| 436 | H | 93 | Very high | 90.5 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.6 | -36 | 178.1 | 172.8 | -142.2 | 0 | 0 | 0 | 112.8 | N433 A434 M439 K440 H470 | N433-H436 PolarHBondContact O-N 3.19Å; N433-H436 PolarHBondContact OD1-ND1 3.42Å; A434-H436 PolarHBondContact O-N 3.44Å; H436-M439 HydrophobicContact CB-CE 4.42Å; H436-K440 PolarHBondContact CD2-NZ 3.45Å; H436-K440 PolarHBondContact CE1-NZ 2.7Å; H436-K440 PolarHBondContact NE2-NZ 2.71Å; H436-K440 WeakPolarHBondContact O-CE 3.17Å; H436-K440 WeakPolarHBondContact O-CG 3.5Å; H436-H470 AromaticContact CD2-CE1 3.95Å; H436-H470 AromaticContact CD2-CG 3.84Å; H436-H470 AromaticContact CD2-ND1 3.71Å; H436-H470 AromaticContact CE1-CE1 3.92Å; H436-H470 AromaticContact CE1-ND1 3.99Å; H436-H470 AromaticContact CG-CE1 3.77Å; H436-H470 AromaticContact CG-NE2 3.85Å; H436-H470 AromaticContact ND1-CE1 3.78Å; H436-H470 AromaticContact NE2-ND1 3.75Å |
| 437 | V | 95.7 | Very high | 90.6 | Very high | 43 Ų | 43 | 44.9 Ų | 44.9 | 26% | 0.261 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.7 | -53 | 168.6 | 170.5 | 0 | 0 | 0 | 0 | 109.9 | L396 N433 A434 M439 K440 D441 | L396-V437 HydrophobicContact CD1-CB 4.34Å; L396-V437 HydrophobicContact CD1-CG1 4.22Å; N433-V437 WeakPolarHBondContact O-CG2 3.43Å; N433-V437 PolarHBondContact O-N 2.69Å; A434-V437 PolarHBondContact O-N 3.23Å; A434-V437 VanDerWaalsContact O-N 3.13Å; V437-M439 VanDerWaalsContact C-N 3.33Å; V437-M439 PolarHBondContact O-N 3.42Å; V437-K440 PolarHBondContact O-N 2.83Å; V437-D441 PolarHBondContact O-N 3.41Å |
| 438 | M | 97.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.5 | -42.5 | -176.3 | -68.3 | 169.5 | 65 | 0 | 0 | 112.9 | L396 S399 V427 A434 L435 K440 D441 A444 N445 V447 V448 M451 | L396-M438 HydrophobicContact CD1-CG 3.55Å; L396-M438 HydrophobicContact CD1-SD 4.08Å; S399-M438 WeakPolarHBondContact OG-CE 3.26Å; V427-M438 HydrophobicContact CB-SD 3.91Å; V427-M438 HydrophobicContact CG1-CE 4.24Å; V427-M438 HydrophobicContact CG1-SD 3.58Å; V427-M438 VanDerWaalsContact CG1-SD 3.58Å; V427-M438 HydrophobicContact CG2-SD 4.43Å; A434-M438 VanDerWaalsContact O-CG 3.28Å; A434-M438 WeakPolarHBondContact O-CG 3.3Å; A434-M438 PolarHBondContact O-N 3.4Å; L435-M438 PolarHBondContact O-N 3.3Å; M438-K440 PolarHBondContact O-N 2.93Å; M438-K440 VanDerWaalsContact O-N 3.12Å; M438-D441 PolarHBondContact O-N 3.42Å; M438-A444 HydrophobicContact CB-CB 3.69Å; M438-A444 HydrophobicContact CG-CB 3.86Å; M438-A444 CarbonylContact O-C 3.35Å; M438-A444 VanDerWaalsContact O-C 3.27Å; M438-N445 WeakPolarHBondContact O-CA 3.4Å; M438-N445 PolarHBondContact O-N 3.29Å; M438-V447 HydrophobicContact CE-CB 4.28Å; M438-V447 HydrophobicContact CE-CG1 4.05Å; M438-V448 HydrophobicContact CB-CG2 3.61Å; M438-V448 HydrophobicContact CE-CG2 3.95Å; M438-M451 HydrophobicContact CE-CE 4.49Å |
| 439 | M | 97 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.7 | 176.6 | -77 | -170.3 | -69.5 | 0 | 0 | 114.3 | L435 H436 V437 V448 I467 H470 L474 G480 I483 | L435-M439 WeakPolarHBondContact O-CB 3.27Å; L435-M439 VanDerWaalsContact O-CG 3.26Å; L435-M439 WeakPolarHBondContact O-CG 3.16Å; L435-M439 PolarHBondContact O-N 2.95Å; H436-M439 HydrophobicContact CB-CE 4.42Å; V437-M439 VanDerWaalsContact C-N 3.33Å; V437-M439 PolarHBondContact O-N 3.42Å; M439-V448 HydrophobicContact CG-CB 4.47Å; M439-V448 HydrophobicContact CG-CG1 3.96Å; M439-V448 HydrophobicContact CG-CG2 4.26Å; M439-I467 HydrophobicContact CE-CG1 4.22Å; M439-I467 HydrophobicContact CE-CG2 4.42Å; M439-I467 HydrophobicContact SD-CB 4.18Å; M439-I467 HydrophobicContact SD-CD1 4.47Å; M439-I467 HydrophobicContact SD-CG1 3.71Å; M439-I467 HydrophobicContact SD-CG2 3.68Å; M439-H470 HydrophobicContact CE-CB 4.29Å; M439-L474 HydrophobicContact CB-CD2 3.86Å; M439-L474 HydrophobicContact CE-CD1 4.16Å; M439-L474 HydrophobicContact SD-CD1 3.6Å; M439-L474 VanDerWaalsContact SD-CD1 3.6Å; M439-L474 HydrophobicContact SD-CD2 4.32Å; M439-G480 WeakPolarHBondContact O-CA 3.31Å; M439-G480 PolarHBondContact O-N 3.3Å; M439-I483 HydrophobicContact CB-CG1 4.01Å; M439-I483 HydrophobicContact CG-CD1 4.3Å; M439-I483 HydrophobicContact CG-CG1 3.89Å; M439-I483 HydrophobicContact CG-CG2 4.34Å; M439-I483 HydrophobicContact SD-CG1 4.4Å; M439-I483 HydrophobicContact SD-CG2 3.92Å |
| 440 | K | 96.3 | Very high | 92.2 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 23% | 0.226 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -15.9 | -176.3 | -62.8 | 176.9 | -54.1 | -151.9 | 0 | 113.5 | H436 V437 M438 L474 Y477 Y479 | H436-K440 PolarHBondContact CD2-NZ 3.45Å; H436-K440 PolarHBondContact CE1-NZ 2.7Å; H436-K440 PolarHBondContact NE2-NZ 2.71Å; H436-K440 WeakPolarHBondContact O-CE 3.17Å; H436-K440 WeakPolarHBondContact O-CG 3.5Å; V437-K440 PolarHBondContact O-N 2.83Å; M438-K440 PolarHBondContact O-N 2.93Å; M438-K440 VanDerWaalsContact O-N 3.12Å; K440-L474 HydrophobicContact CG-CD2 4.27Å; K440-Y477 HydrophobicContact CB-CD1 4.46Å; K440-Y477 HydrophobicContact CD-CD1 3.92Å; K440-Y477 HydrophobicContact CD-CD2 3.97Å; K440-Y477 HydrophobicContact CD-CE1 3.72Å; K440-Y477 HydrophobicContact CD-CE2 3.74Å; K440-Y477 HydrophobicContact CD-CG 4.04Å; K440-Y477 HydrophobicContact CG-CD1 4.15Å; K440-Y477 HydrophobicContact CG-CD2 4.11Å; K440-Y477 HydrophobicContact CG-CE1 4.46Å; K440-Y477 HydrophobicContact CG-CE2 4.4Å; K440-Y477 HydrophobicContact CG-CG 3.97Å; K440-Y479 WeakPolarHBondContact O-CD2 3.38Å |
| 441 | D | 98.2 | Very high | 93.7 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 15% | 0.15 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -78.4 | 156.2 | -180 | 172.1 | -108.1 | 0 | 0 | 0 | 112.5 | Q400 V437 M438 Y443 A444 N445 Y479 | Q400-D441 HydrophobicContact CG-CB 4.18Å; V437-D441 PolarHBondContact O-N 3.41Å; M438-D441 PolarHBondContact O-N 3.42Å; D441-Y443 PolarHBondContact O-N 3.32Å; D441-Y443 PolarHBondContact OD1-N 3.32Å; D441-A444 HydrophobicContact CB-CB 4.08Å; D441-A444 PolarHBondContact OD1-N 3.38Å; D441-N445 WeakPolarHBondContact O-CB 3.44Å; D441-N445 PolarHBondContact O-ND2 3.49Å; D441-Y479 WeakPolarHBondContact O-CB 3.35Å |
| 442 | Q | 97.8 | Very high | 95 | Very high | 81 Ų | 81 | 34.4 Ų | 34.4 | 38% | 0.379 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -26.2 | -177.4 | 77 | -158.8 | -76.9 | 0 | 0 | 114.3 | N445 Y446 Y479 | Q442-N445 PolarHBondContact O-ND2 2.88Å; Q442-Y446 WeakPolarHBondContact O-CE2 3.22Å; Q442-Y479 HydrophobicContact CB-CD1 4.15Å; Q442-Y479 HydrophobicContact CB-CD2 4.12Å; Q442-Y479 HydrophobicContact CB-CE1 3.66Å; Q442-Y479 HydrophobicContact CB-CE2 3.65Å; Q442-Y479 HydrophobicContact CB-CG 4.36Å |
| 443 | Y | 98.4 | Very high | 96.3 | Very high | 62 Ų | 62 | 33.4 Ų | 33.4 | 24% | 0.243 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -46.5 | 179.5 | -54 | -63.3 | 0 | 0 | 0 | 111.6 | S399 Q400 K402 D441 N445 Y446 | S399-Y443 CarbonylContact O-C 3.59Å; Q400-Y443 WeakPolarHBondContact O-CD2 3.3Å; K402-Y443 HydrophobicContact CB-CD1 4.4Å; K402-Y443 HydrophobicContact CB-CD2 4.36Å; K402-Y443 HydrophobicContact CB-CE1 3.88Å; K402-Y443 HydrophobicContact CB-CE2 3.84Å; K402-Y443 HydrophobicContact CD-CE1 4.38Å; K402-Y443 HydrophobicContact CG-CD1 4.45Å; K402-Y443 HydrophobicContact CG-CE1 3.72Å; D441-Y443 PolarHBondContact O-N 3.32Å; D441-Y443 PolarHBondContact OD1-N 3.32Å; Y443-N445 PolarHBondContact O-N 3.07Å; Y443-N445 VanDerWaalsContact O-N 3.1Å; Y443-Y446 WeakPolarHBondContact O-CB 3.44Å; Y443-Y446 WeakPolarHBondContact O-CD2 3.47Å; Y443-Y446 PolarHBondContact O-N 3.42Å |
| 444 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.8 | -19.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S399 Q400 M438 D441 Y446 V447 V448 | S399-A444 WeakPolarHBondContact O-CA 3.45Å; S399-A444 WeakPolarHBondContact O-CB 3.5Å; S399-A444 PolarHBondContact O-N 3.46Å; Q400-A444 HydrophobicContact CG-CB 3.97Å; M438-A444 HydrophobicContact CB-CB 3.69Å; M438-A444 HydrophobicContact CG-CB 3.86Å; M438-A444 CarbonylContact O-C 3.35Å; M438-A444 VanDerWaalsContact O-C 3.27Å; D441-A444 HydrophobicContact CB-CB 4.08Å; D441-A444 PolarHBondContact OD1-N 3.38Å; A444-Y446 PolarHBondContact O-N 2.85Å; A444-V447 WeakPolarHBondContact O-CB 3.44Å; A444-V447 PolarHBondContact O-N 3.12Å; A444-V448 WeakPolarHBondContact O-CG2 3.48Å; A444-V448 PolarHBondContact O-N 3.26Å |
| 445 | N | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63 | -30.4 | 172.7 | 81.4 | 88.4 | 0 | 0 | 0 | 111.8 | M438 D441 Q442 Y443 Q449 I483 | M438-N445 WeakPolarHBondContact O-CA 3.4Å; M438-N445 PolarHBondContact O-N 3.29Å; D441-N445 WeakPolarHBondContact O-CB 3.44Å; D441-N445 PolarHBondContact O-ND2 3.49Å; Q442-N445 PolarHBondContact O-ND2 2.88Å; Y443-N445 PolarHBondContact O-N 3.07Å; Y443-N445 VanDerWaalsContact O-N 3.1Å; N445-Q449 WeakPolarHBondContact O-CB 3.18Å; N445-Q449 VanDerWaalsContact O-CG 3.23Å; N445-Q449 WeakPolarHBondContact O-CG 3.43Å; N445-Q449 PolarHBondContact O-N 3.28Å; N445-Q449 PolarHBondContact O-NE2 2.91Å; N445-Q449 PolarHBondContact OD1-NE2 3.06Å; N445-I483 HydrophobicContact CB-CD1 4.01Å; N445-I483 WeakPolarHBondContact O-CD1 3.39Å |
| 446 | Y | 98.4 | Very high | 97.1 | Very high | 115 Ų | 115 | 33.6 Ų | 33.6 | 45% | 0.451 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -71.1 | -40.6 | 174.4 | -64.9 | -85.3 | 0 | 0 | 0 | 111 | E409 Q442 Y443 A444 V448 Q449 K450 | E409-Y446 VanDerWaalsContact OE1-CB 3.26Å; E409-Y446 WeakPolarHBondContact OE1-CB 3.47Å; Q442-Y446 WeakPolarHBondContact O-CE2 3.22Å; Y443-Y446 WeakPolarHBondContact O-CB 3.44Å; Y443-Y446 WeakPolarHBondContact O-CD2 3.47Å; Y443-Y446 PolarHBondContact O-N 3.42Å; A444-Y446 PolarHBondContact O-N 2.85Å; Y446-V448 PolarHBondContact O-N 2.78Å; Y446-Q449 CarbonylContact O-C 3.58Å; Y446-Q449 WeakPolarHBondContact O-CA 2.94Å; Y446-Q449 WeakPolarHBondContact O-CB 3.29Å; Y446-Q449 PolarHBondContact O-N 3.04Å; Y446-Q449 VanDerWaalsContact O-N 3.13Å; Y446-K450 PolarHBondContact O-N 3.41Å |
| 447 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 172.1 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | V408 E409 M438 A444 Q449 K450 M451 | V408-V447 HydrophobicContact CB-CG1 4.31Å; V408-V447 HydrophobicContact CB-CG2 4.36Å; V408-V447 HydrophobicContact CG1-CG1 3.58Å; V408-V447 HydrophobicContact CG1-CG2 4.49Å; E409-V447 HydrophobicContact CG-CG2 4.14Å; M438-V447 HydrophobicContact CE-CB 4.28Å; M438-V447 HydrophobicContact CE-CG1 4.05Å; A444-V447 WeakPolarHBondContact O-CB 3.44Å; A444-V447 PolarHBondContact O-N 3.12Å; V447-Q449 VanDerWaalsContact C-N 3.31Å; V447-Q449 PolarHBondContact O-N 3.16Å; V447-K450 WeakPolarHBondContact O-CB 3.46Å; V447-K450 PolarHBondContact O-N 2.73Å; V447-K450 VanDerWaalsContact O-N 3.11Å; V447-M451 HydrophobicContact CG1-CE 4.03Å; V447-M451 HydrophobicContact CG1-CG 4.45Å; V447-M451 HydrophobicContact CG1-SD 4.47Å; V447-M451 WeakPolarHBondContact O-CG 3.35Å; V447-M451 PolarHBondContact O-N 2.99Å |
| 448 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 175.1 | 177.6 | 0 | 0 | 0 | 0 | 111 | L435 M438 M439 A444 Y446 K450 M451 I452 I483 | L435-V448 HydrophobicContact CD1-CG1 4.04Å; L435-V448 HydrophobicContact CD1-CG2 3.81Å; M438-V448 HydrophobicContact CB-CG2 3.61Å; M438-V448 HydrophobicContact CE-CG2 3.95Å; M439-V448 HydrophobicContact CG-CB 4.47Å; M439-V448 HydrophobicContact CG-CG1 3.96Å; M439-V448 HydrophobicContact CG-CG2 4.26Å; A444-V448 WeakPolarHBondContact O-CG2 3.48Å; A444-V448 PolarHBondContact O-N 3.26Å; Y446-V448 PolarHBondContact O-N 2.78Å; V448-K450 VanDerWaalsContact C-N 3.31Å; V448-K450 PolarHBondContact O-N 3.34Å; V448-M451 PolarHBondContact O-N 3.48Å; V448-I452 HydrophobicContact CG1-CD1 4.1Å; V448-I452 WeakPolarHBondContact O-CD1 3.29Å; V448-I452 VanDerWaalsContact O-CG1 3.29Å; V448-I452 WeakPolarHBondContact O-CG1 3.42Å; V448-I452 PolarHBondContact O-N 2.94Å; V448-I452 VanDerWaalsContact O-N 3.11Å; V448-I483 HydrophobicContact CB-CD1 4.2Å; V448-I483 HydrophobicContact CG1-CD1 4.18Å |
| 449 | Q | 97.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 40.5 Ų | 40.5 | 17% | 0.173 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | 174 | -74 | 178.4 | 85.3 | 0 | 0 | 111.9 | N445 Y446 V447 I452 D453 I483 K486 | N445-Q449 WeakPolarHBondContact O-CB 3.18Å; N445-Q449 VanDerWaalsContact O-CG 3.23Å; N445-Q449 WeakPolarHBondContact O-CG 3.43Å; N445-Q449 PolarHBondContact O-N 3.28Å; N445-Q449 PolarHBondContact O-NE2 2.91Å; N445-Q449 PolarHBondContact OD1-NE2 3.06Å; Y446-Q449 CarbonylContact O-C 3.58Å; Y446-Q449 WeakPolarHBondContact O-CA 2.94Å; Y446-Q449 WeakPolarHBondContact O-CB 3.29Å; Y446-Q449 PolarHBondContact O-N 3.04Å; Y446-Q449 VanDerWaalsContact O-N 3.13Å; V447-Q449 VanDerWaalsContact C-N 3.31Å; V447-Q449 PolarHBondContact O-N 3.16Å; Q449-I452 PolarHBondContact O-N 3.32Å; Q449-D453 PolarHBondContact O-N 3.03Å; Q449-I483 HydrophobicContact CG-CD1 3.81Å; Q449-K486 HydrophobicContact CB-CD 3.67Å; Q449-K486 HydrophobicContact CG-CB 4.48Å; Q449-K486 HydrophobicContact CG-CD 3.6Å; Q449-K486 WeakPolarHBondContact O-CE 3.46Å; Q449-K486 PolarHBondContact O-NZ 3.35Å |
| 450 | K | 98.3 | Very high | 96.7 | Very high | 59 Ų | 59 | 41.4 Ų | 41.4 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.1 | -47.5 | 176.5 | -174.9 | 63.1 | 63.1 | 174.4 | 0 | 111.7 | E409 V412 T413 Y446 V447 V448 I452 D453 V454 | E409-K450 HydrophobicContact CB-CB 4.4Å; E409-K450 HydrophobicContact CB-CG 4.1Å; E409-K450 HydrophobicContact CG-CB 3.75Å; E409-K450 HydrophobicContact CG-CG 4.02Å; E409-K450 WeakPolarHBondContact OE2-CE 3.06Å; E409-K450 IonicContact OE2-NZ 3.98Å; V412-K450 HydrophobicContact CG2-CB 4.37Å; V412-K450 HydrophobicContact CG2-CG 3.65Å; T413-K450 WeakPolarHBondContact OG1-CD 3.49Å; Y446-K450 PolarHBondContact O-N 3.41Å; V447-K450 WeakPolarHBondContact O-CB 3.46Å; V447-K450 PolarHBondContact O-N 2.73Å; V447-K450 VanDerWaalsContact O-N 3.11Å; V448-K450 VanDerWaalsContact C-N 3.31Å; V448-K450 PolarHBondContact O-N 3.34Å; K450-I452 PolarHBondContact O-N 2.89Å; K450-D453 WeakPolarHBondContact O-CB 3.18Å; K450-D453 PolarHBondContact O-N 3.33Å; K450-V454 HydrophobicContact CD-CG1 4.12Å; K450-V454 HydrophobicContact CG-CG1 4.48Å; K450-V454 WeakPolarHBondContact O-CG2 3.33Å; K450-V454 PolarHBondContact O-N 2.8Å; K450-V454 VanDerWaalsContact O-N 3.1Å |
| 451 | M | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.1 | -37.9 | 175.7 | -71.9 | -179.2 | 169.1 | 0 | 0 | 111.7 | V395 V412 I424 V427 M438 V447 V448 S455 L463 | V395-M451 HydrophobicContact CG1-CE 3.79Å; V412-M451 HydrophobicContact CG1-CE 4.11Å; V412-M451 HydrophobicContact CG1-CG 4.31Å; V412-M451 HydrophobicContact CG2-CG 4.42Å; I424-M451 HydrophobicContact CG1-CB 4.32Å; I424-M451 HydrophobicContact CG1-CE 4.39Å; I424-M451 HydrophobicContact CG1-CG 3.97Å; I424-M451 HydrophobicContact CG1-SD 4.23Å; V427-M451 HydrophobicContact CG2-CE 3.9Å; V427-M451 HydrophobicContact CG2-SD 3.77Å; M438-M451 HydrophobicContact CE-CE 4.49Å; V447-M451 HydrophobicContact CG1-CE 4.03Å; V447-M451 HydrophobicContact CG1-CG 4.45Å; V447-M451 HydrophobicContact CG1-SD 4.47Å; V447-M451 WeakPolarHBondContact O-CG 3.35Å; V447-M451 PolarHBondContact O-N 2.99Å; V448-M451 PolarHBondContact O-N 3.48Å; M451-S455 VanDerWaalsContact O-CB 3.23Å; M451-S455 WeakPolarHBondContact O-CB 3.23Å; M451-S455 PolarHBondContact O-N 2.88Å; M451-S455 PolarHBondContact O-OG 3.46Å; M451-L463 HydrophobicContact CB-CD1 4.17Å |
| 452 | I | 95.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -35.9 | 175 | -68.3 | 163.7 | 0 | 0 | 0 | 112.7 | V448 Q449 K450 L460 L463 M464 I467 L487 | V448-I452 HydrophobicContact CG1-CD1 4.1Å; V448-I452 WeakPolarHBondContact O-CD1 3.29Å; V448-I452 VanDerWaalsContact O-CG1 3.29Å; V448-I452 WeakPolarHBondContact O-CG1 3.42Å; V448-I452 PolarHBondContact O-N 2.94Å; V448-I452 VanDerWaalsContact O-N 3.11Å; Q449-I452 PolarHBondContact O-N 3.32Å; K450-I452 PolarHBondContact O-N 2.89Å; I452-L460 HydrophobicContact CG2-CD1 4.19Å; I452-L463 HydrophobicContact CG1-CD1 4.37Å; I452-M464 HydrophobicContact CD1-CE 4.08Å; I452-M464 HydrophobicContact CG1-CE 3.8Å; I452-M464 HydrophobicContact CG2-CE 4.27Å; I452-I467 HydrophobicContact CD1-CD1 4Å; I452-L487 HydrophobicContact CD1-CD2 4.02Å |
| 453 | D | 95.9 | Very high | 96.1 | Very high | 94 Ų | 94 | 44.6 Ų | 44.6 | 50% | 0.503 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -72.6 | -37.5 | 178.2 | -65.2 | -31.7 | 0 | 0 | 0 | 112.7 | Q449 K450 K486 | Q449-D453 PolarHBondContact O-N 3.03Å; K450-D453 WeakPolarHBondContact O-CB 3.18Å; K450-D453 PolarHBondContact O-N 3.33Å; D453-K486 WeakPolarHBondContact OD1-CE 3.49Å; D453-K486 IonicContact OD1-NZ 3.41Å; D453-K486 PolarHBondContact OD1-NZ 2.83Å; D453-K486 IonicContact OD2-NZ 3.92Å; D453-K486 PolarHBondContact OD2-NZ 3.4Å |
| 454 | V | 96.6 | Very high | 95.8 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -98.7 | -4.9 | -171.6 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | V412 R420 K450 | V412-V454 HydrophobicContact CB-CG2 4.08Å; V412-V454 HydrophobicContact CG2-CG2 4.03Å; V412-V454 WeakPolarHBondContact O-CG2 3.36Å; R420-V454 VanDerWaalsContact CD-O 3.28Å; R420-V454 WeakPolarHBondContact CD-O 3.29Å; R420-V454 PolarHBondContact NE-O 2.78Å; K450-V454 HydrophobicContact CD-CG1 4.12Å; K450-V454 HydrophobicContact CG-CG1 4.48Å; K450-V454 WeakPolarHBondContact O-CG2 3.33Å; K450-V454 PolarHBondContact O-N 2.8Å; K450-V454 VanDerWaalsContact O-N 3.1Å |
| 455 | S | 96.6 | Very high | 95.5 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | trans | -68.9 | 131.2 | -180 | -78 | 0 | 0 | 0 | 0 | 112.7 | M451 L463 | M451-S455 VanDerWaalsContact O-CB 3.23Å; M451-S455 WeakPolarHBondContact O-CB 3.23Å; M451-S455 PolarHBondContact O-N 2.88Å; M451-S455 PolarHBondContact O-OG 3.46Å; S455-L463 WeakPolarHBondContact OG-CD1 3.24Å | ||
| 456 | E | 94.6 | Very high | 95.2 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | trans | -70.1 | 156.8 | 163.7 | -63.4 | 177.7 | -147.8 | 0 | 0 | 109.8 | R417 R420 T458 Q459 L460 | R417-E456 WeakPolarHBondContact CG-OE1 3.42Å; R417-E456 IonicContact CZ-OE1 3.48Å; R417-E456 IonicContact CZ-OE2 2.79Å; R417-E456 VanDerWaalsContact CZ-OE2 3.3Å; R417-E456 IonicContact NE-OE1 3.98Å; R417-E456 PolarHBondContact NE-OE1 2.86Å; R417-E456 IonicContact NE-OE2 2.69Å; R417-E456 PolarHBondContact NE-OE2 3.36Å; R417-E456 VanDerWaalsContact NE-OE2 3.1Å; R417-E456 IonicContact NH2-OE2 2.69Å; R417-E456 PolarHBondContact NH2-OE2 3.32Å; R420-E456 IonicContact CZ-OE1 2.74Å; R420-E456 IonicContact NH2-OE1 3.1Å; R420-E456 PolarHBondContact NH2-OE1 3.4Å; E456-T458 PolarHBondContact O-N 3.48Å; E456-Q459 PolarHBondContact O-N 3.17Å; E456-Q459 VanDerWaalsContact O-N 3.08Å; E456-Q459 PolarHBondContact O-OE1 3.38Å; E456-L460 PolarHBondContact O-N 3.47Å | ||
| 457 | P | 94.4 | Very high | 94.9 | Very high | 107 Ų | 107 | 43.7 Ų | 43.7 | 70% | 0.695 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -55.7 | -30.6 | -165.6 | -30.3 | 36.7 | 0 | 0 | 0 | 115.6 | K461 | P457-K461 WeakPolarHBondContact O-CB 3.48Å; P457-K461 PolarHBondContact O-N 2.88Å |
| 458 | T | 94.2 | Very high | 94.6 | Very high | 93 Ų | 93 | 49.6 Ų | 49.6 | 57% | 0.571 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -67.7 | -50.3 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | E456 K461 K462 | E456-T458 PolarHBondContact O-N 3.48Å; T458-K461 WeakPolarHBondContact O-CB 3.47Å; T458-K461 PolarHBondContact O-N 2.97Å; T458-K462 PolarHBondContact O-N 3.25Å; T458-K462 VanDerWaalsContact O-N 3.17Å |
| 459 | Q | 94.1 | Very high | 94.3 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 179.1 | -68.5 | 70.5 | 18 | 0 | 0 | 110.3 | T421 I424 E456 K461 K462 L463 | T421-Q459 HydrophobicContact CG2-CG 4.17Å; T421-Q459 PolarHBondContact OG1-NE2 3.19Å; I424-Q459 HydrophobicContact CG2-CB 4.15Å; E456-Q459 PolarHBondContact O-N 3.17Å; E456-Q459 VanDerWaalsContact O-N 3.08Å; E456-Q459 PolarHBondContact O-OE1 3.38Å; Q459-K461 VanDerWaalsContact C-N 3.33Å; Q459-K461 PolarHBondContact O-N 3.37Å; Q459-K462 WeakPolarHBondContact O-CB 3.35Å; Q459-K462 PolarHBondContact O-N 3.33Å; Q459-K462 VanDerWaalsContact O-N 3.16Å; Q459-L463 PolarHBondContact O-N 3.03Å |
| 460 | L | 94.1 | Very high | 94 | Very high | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 172.9 | -172.9 | 70.8 | 0 | 0 | 0 | 111.8 | I452 E456 K462 L463 M464 Y490 | I452-L460 HydrophobicContact CG2-CD1 4.19Å; E456-L460 PolarHBondContact O-N 3.47Å; L460-K462 VanDerWaalsContact C-N 3.3Å; L460-K462 PolarHBondContact O-N 3.29Å; L460-L463 PolarHBondContact O-N 3.11Å; L460-M464 HydrophobicContact CD1-CE 3.76Å; L460-M464 HydrophobicContact CG-CG 4.37Å; L460-M464 WeakPolarHBondContact O-CG 3.26Å; L460-M464 PolarHBondContact O-N 3.05Å; L460-Y490 HydrophobicContact CD2-CE1 3.81Å; L460-Y490 WeakPolarHBondContact CD2-OH 3.34Å |
| 461 | K | 93.1 | Very high | 93.6 | Very high | 156 Ų | 156 | 54.3 Ų | 54.3 | 68% | 0.678 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.9 | -35.3 | 175.8 | -172.6 | 177.7 | 179 | -178.3 | 0 | 112 | P457 T458 Q459 T465 | P457-K461 WeakPolarHBondContact O-CB 3.48Å; P457-K461 PolarHBondContact O-N 2.88Å; T458-K461 WeakPolarHBondContact O-CB 3.47Å; T458-K461 PolarHBondContact O-N 2.97Å; Q459-K461 VanDerWaalsContact C-N 3.33Å; Q459-K461 PolarHBondContact O-N 3.37Å; K461-T465 WeakPolarHBondContact O-CB 3.47Å; K461-T465 PolarHBondContact O-N 2.91Å; K461-T465 PolarHBondContact O-OG1 2.93Å |
| 462 | K | 92.4 | Very high | 93.3 | Very high | 72 Ų | 72 | 57.4 Ų | 57.4 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.7 | -55.6 | 170.7 | -65.6 | -179.4 | 177.8 | -170.4 | 0 | 111.2 | D425 C428 T458 Q459 L460 M464 T465 K466 | D425-K462 WeakPolarHBondContact OD1-CD 3.33Å; D425-K462 WeakPolarHBondContact OD1-CE 3.3Å; D425-K462 IonicContact OD1-NZ 3.86Å; D425-K462 PolarHBondContact OD1-NZ 3.42Å; D425-K462 IonicContact OD2-NZ 2.68Å; D425-K462 PolarHBondContact OD2-NZ 3.43Å; C428-K462 HydrophobicContact CB-CB 4.44Å; T458-K462 PolarHBondContact O-N 3.25Å; T458-K462 VanDerWaalsContact O-N 3.17Å; Q459-K462 WeakPolarHBondContact O-CB 3.35Å; Q459-K462 PolarHBondContact O-N 3.33Å; Q459-K462 VanDerWaalsContact O-N 3.16Å; L460-K462 VanDerWaalsContact C-N 3.3Å; L460-K462 PolarHBondContact O-N 3.29Å; K462-M464 PolarHBondContact O-N 3.34Å; K462-T465 PolarHBondContact O-N 3.24Å; K462-K466 PolarHBondContact O-N 3.47Å |
| 463 | L | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -49.8 | -56 | 176.7 | -80.5 | 165.3 | 0 | 0 | 0 | 111.5 | I424 C428 L435 M451 I452 S455 Q459 L460 T465 K466 I467 | I424-L463 HydrophobicContact CG2-CD1 3.97Å; I424-L463 HydrophobicContact CG2-CD2 4.48Å; I424-L463 HydrophobicContact CG2-CG 4.1Å; C428-L463 WeakPolarHBondContact SG-CD2 3.44Å; L435-L463 HydrophobicContact CD1-CD2 3.65Å; L435-L463 HydrophobicContact CD2-CD2 3.87Å; L435-L463 HydrophobicContact CG-CD2 4.44Å; M451-L463 HydrophobicContact CB-CD1 4.17Å; I452-L463 HydrophobicContact CG1-CD1 4.37Å; S455-L463 WeakPolarHBondContact OG-CD1 3.24Å; Q459-L463 PolarHBondContact O-N 3.03Å; L460-L463 PolarHBondContact O-N 3.11Å; L463-T465 PolarHBondContact O-N 3.28Å; L463-T465 VanDerWaalsContact O-N 3.15Å; L463-K466 PolarHBondContact O-N 3.46Å; L463-K466 VanDerWaalsContact O-N 3.11Å; L463-I467 HydrophobicContact CB-CD1 4.28Å; L463-I467 WeakPolarHBondContact O-CD1 3.46Å; L463-I467 WeakPolarHBondContact O-CG1 3.45Å; L463-I467 PolarHBondContact O-N 3.03Å |
| 464 | M | 92 | Very high | 93 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 4% | 0.044 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.3 | -31.7 | -178.9 | -67.6 | -50.9 | 110.5 | 0 | 0 | 112.9 | I452 L460 K462 I467 R468 L487 | I452-M464 HydrophobicContact CD1-CE 4.08Å; I452-M464 HydrophobicContact CG1-CE 3.8Å; I452-M464 HydrophobicContact CG2-CE 4.27Å; L460-M464 HydrophobicContact CD1-CE 3.76Å; L460-M464 HydrophobicContact CG-CG 4.37Å; L460-M464 WeakPolarHBondContact O-CG 3.26Å; L460-M464 PolarHBondContact O-N 3.05Å; K462-M464 PolarHBondContact O-N 3.34Å; M464-I467 HydrophobicContact CE-CD1 3.84Å; M464-R468 WeakPolarHBondContact O-CB 3.3Å; M464-R468 VanDerWaalsContact O-CG 3.29Å; M464-R468 WeakPolarHBondContact O-CG 3.34Å; M464-R468 PolarHBondContact O-N 3.25Å; M464-R468 PolarHBondContact O-NH1 3.04Å; M464-L487 HydrophobicContact CE-CD2 3.65Å; M464-L487 HydrophobicContact SD-CD1 4.22Å; M464-L487 HydrophobicContact SD-CD2 3.51Å; M464-L487 VanDerWaalsContact SD-CD2 3.51Å |
| 465 | T | 92.1 | Very high | 92.8 | Very high | 77 Ų | 77 | 61.6 Ų | 61.6 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -75.5 | -34 | 179.6 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | K461 K462 L463 R468 P469 | K461-T465 WeakPolarHBondContact O-CB 3.47Å; K461-T465 PolarHBondContact O-N 2.91Å; K461-T465 PolarHBondContact O-OG1 2.93Å; K462-T465 PolarHBondContact O-N 3.24Å; L463-T465 PolarHBondContact O-N 3.28Å; L463-T465 VanDerWaalsContact O-N 3.15Å; T465-R468 PolarHBondContact OG1-NH1 3Å; T465-P469 WeakPolarHBondContact O-CD 3.39Å |
| 466 | K | 91.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 69.7 Ų | 69.7 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -75 | -30.9 | 169.3 | -69.2 | -64.9 | -164.5 | 179.4 | 0 | 113.3 | C428 D432 L435 K462 L463 H470 | C428-K466 WeakPolarHBondContact O-CE 3.35Å; D432-K466 IonicContact OD1-NZ 2.65Å; D432-K466 PolarHBondContact OD1-NZ 3.42Å; L435-K466 HydrophobicContact CD2-CB 3.64Å; K462-K466 PolarHBondContact O-N 3.47Å; L463-K466 PolarHBondContact O-N 3.46Å; L463-K466 VanDerWaalsContact O-N 3.11Å; K466-H470 PolarHBondContact O-CD2 3.18Å |
| 467 | I | 92.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -79.2 | -41.2 | -177.7 | -60.8 | 162.5 | 0 | 0 | 0 | 112.7 | L435 M439 I452 L463 M464 H470 M471 L474 I483 L487 | L435-I467 HydrophobicContact CD2-CD1 4.33Å; L435-I467 HydrophobicContact CD2-CG1 3.71Å; M439-I467 HydrophobicContact CE-CG1 4.22Å; M439-I467 HydrophobicContact CE-CG2 4.42Å; M439-I467 HydrophobicContact SD-CB 4.18Å; M439-I467 HydrophobicContact SD-CD1 4.47Å; M439-I467 HydrophobicContact SD-CG1 3.71Å; M439-I467 HydrophobicContact SD-CG2 3.68Å; I452-I467 HydrophobicContact CD1-CD1 4Å; L463-I467 HydrophobicContact CB-CD1 4.28Å; L463-I467 WeakPolarHBondContact O-CD1 3.46Å; L463-I467 WeakPolarHBondContact O-CG1 3.45Å; L463-I467 PolarHBondContact O-N 3.03Å; M464-I467 HydrophobicContact CE-CD1 3.84Å; I467-H470 PolarHBondContact O-N 3.41Å; I467-M471 HydrophobicContact CG2-CG 4.16Å; I467-M471 PolarHBondContact O-N 3.25Å; I467-L474 HydrophobicContact CG2-CD1 4.24Å; I467-I483 HydrophobicContact CG2-CG2 4.22Å; I467-L487 HydrophobicContact CG2-CD1 3.67Å |
| 468 | R | 91.3 | Very high | 92.6 | Very high | 125 Ų | 125 | 71.7 Ų | 71.7 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -47.6 | -48.4 | -174.6 | -86.4 | -177.1 | -140.6 | 102.7 | 0.4 | 114.8 | M464 T465 H470 M471 | M464-R468 WeakPolarHBondContact O-CB 3.3Å; M464-R468 VanDerWaalsContact O-CG 3.29Å; M464-R468 WeakPolarHBondContact O-CG 3.34Å; M464-R468 PolarHBondContact O-N 3.25Å; M464-R468 PolarHBondContact O-NH1 3.04Å; T465-R468 PolarHBondContact OG1-NH1 3Å; R468-H470 PolarHBondContact O-N 3.31Å; R468-H470 VanDerWaalsContact O-N 3.14Å; R468-M471 HydrophobicContact CG-SD 4.39Å; R468-M471 PolarHBondContact O-N 2.69Å |
| 469 | P | 92.4 | Very high | 92.7 | Very high | 98 Ų | 98 | 71.4 Ų | 71.4 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -57.6 | -28.7 | 179.8 | -26.2 | 35.8 | 0 | 0 | 0 | 114.1 | T465 | T465-P469 WeakPolarHBondContact O-CD 3.39Š|
| 470 | H | 91.2 | Very high | 92.7 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -92.2 | -14.2 | -176.2 | -58 | -62.7 | 0 | 0 | 0 | 113.7 | H436 M439 K466 I467 R468 A472 A473 L474 | H436-H470 AromaticContact CD2-CE1 3.95Å; H436-H470 AromaticContact CD2-CG 3.84Å; H436-H470 AromaticContact CD2-ND1 3.71Å; H436-H470 AromaticContact CE1-CE1 3.92Å; H436-H470 AromaticContact CE1-ND1 3.99Å; H436-H470 AromaticContact CG-CE1 3.77Å; H436-H470 AromaticContact CG-NE2 3.85Å; H436-H470 AromaticContact ND1-CE1 3.78Å; H436-H470 AromaticContact NE2-ND1 3.75Å; M439-H470 HydrophobicContact CE-CB 4.29Å; K466-H470 PolarHBondContact O-CD2 3.18Å; I467-H470 PolarHBondContact O-N 3.41Å; R468-H470 PolarHBondContact O-N 3.31Å; R468-H470 VanDerWaalsContact O-N 3.14Å; H470-A472 VanDerWaalsContact C-N 3.29Å; H470-A472 PolarHBondContact O-N 3.45Å; H470-A472 VanDerWaalsContact O-N 3.13Å; H470-A473 CarbonylContact O-C 3.06Å; H470-A473 WeakPolarHBondContact O-CA 3.44Å; H470-A473 PolarHBondContact O-N 2.93Å; H470-L474 HydrophobicContact CB-CD1 4.14Å; H470-L474 HydrophobicContact CB-CG 4.1Å; H470-L474 WeakPolarHBondContact O-CG 3.42Å; H470-L474 PolarHBondContact O-N 3.3Å |
| 471 | M | 90.2 | Very high | 92.6 | Very high | 46 Ų | 46 | 73.9 Ų | 73.9 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -52.8 | -41.1 | -172.6 | -71.8 | -173.4 | 71.3 | 0 | 0 | 114 | I467 R468 A473 L474 N484 L487 | I467-M471 HydrophobicContact CG2-CG 4.16Å; I467-M471 PolarHBondContact O-N 3.25Å; R468-M471 HydrophobicContact CG-SD 4.39Å; R468-M471 PolarHBondContact O-N 2.69Å; M471-A473 VanDerWaalsContact C-N 3.31Å; M471-A473 PolarHBondContact O-N 2.87Å; M471-L474 PolarHBondContact O-N 2.89Å; M471-N484 PolarHBondContact O-ND2 3.39Å; M471-L487 HydrophobicContact CE-CB 4.27Å; M471-L487 HydrophobicContact CE-CD1 3.95Å; M471-L487 HydrophobicContact CG-CD1 4.43Å; M471-L487 HydrophobicContact SD-CD1 3.91Å |
| 472 | A | 91.5 | Very high | 92.6 | Very high | 64 Ų | 64 | 70.2 Ų | 70.2 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -37 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | H470 | H470-A472 VanDerWaalsContact C-N 3.29Å; H470-A472 PolarHBondContact O-N 3.45Å; H470-A472 VanDerWaalsContact O-N 3.13Å |
| 473 | A | 91.4 | Very high | 92.7 | Very high | 44 Ų | 44 | 66.8 Ų | 66.8 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -81.8 | -35.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | H470 M471 R475 K476 Y477 | H470-A473 CarbonylContact O-C 3.06Å; H470-A473 WeakPolarHBondContact O-CA 3.44Å; H470-A473 PolarHBondContact O-N 2.93Å; M471-A473 VanDerWaalsContact C-N 3.31Å; M471-A473 PolarHBondContact O-N 2.87Å; A473-R475 PolarHBondContact O-N 2.98Å; A473-R475 VanDerWaalsContact O-N 3.11Å; A473-K476 WeakPolarHBondContact O-CB 3.4Å; A473-K476 PolarHBondContact O-N 3.13Å; A473-Y477 WeakPolarHBondContact O-CD2 3.35Å |
| 474 | L | 92.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.5 | -32.2 | 179.7 | -75.2 | 172.2 | 0 | 0 | 0 | 112.8 | M439 K440 I467 H470 M471 K476 Y477 G480 K481 I483 | M439-L474 HydrophobicContact CB-CD2 3.86Å; M439-L474 HydrophobicContact CE-CD1 4.16Å; M439-L474 HydrophobicContact SD-CD1 3.6Å; M439-L474 VanDerWaalsContact SD-CD1 3.6Å; M439-L474 HydrophobicContact SD-CD2 4.32Å; K440-L474 HydrophobicContact CG-CD2 4.27Å; I467-L474 HydrophobicContact CG2-CD1 4.24Å; H470-L474 HydrophobicContact CB-CD1 4.14Å; H470-L474 HydrophobicContact CB-CG 4.1Å; H470-L474 WeakPolarHBondContact O-CG 3.42Å; H470-L474 PolarHBondContact O-N 3.3Å; M471-L474 PolarHBondContact O-N 2.89Å; L474-K476 PolarHBondContact O-N 3.45Å; L474-K476 VanDerWaalsContact O-N 3.14Å; L474-Y477 PolarHBondContact O-N 2.95Å; L474-Y477 VanDerWaalsContact O-N 3.08Å; L474-G480 CarbonylContact O-C 3.57Å; L474-G480 VanDerWaalsContact O-C 3.3Å; L474-K481 PolarHBondContact O-N 3.06Å; L474-I483 HydrophobicContact CD1-CB 4.46Å; L474-I483 HydrophobicContact CD1-CG2 4.49Å |
| 475 | R | 92.6 | Very high | 92.6 | Very high | 174 Ų | 174 | 68.4 Ų | 68.4 | 66% | 0.657 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25.1 | 173.1 | -64.7 | -170.1 | -72.9 | -161.4 | -0.8 | 114.3 | A473 N484 | A473-R475 PolarHBondContact O-N 2.98Å; A473-R475 VanDerWaalsContact O-N 3.11Å; R475-N484 WeakPolarHBondContact CG-ND2 3.14Å |
| 476 | K | 93.5 | Very high | 92.6 | Very high | 187 Ų | 187 | 66.5 Ų | 66.5 | 81% | 0.813 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -13.5 | 179.8 | -58.3 | -173.3 | 178.5 | -174.9 | 0 | 113.5 | A473 L474 | A473-K476 WeakPolarHBondContact O-CB 3.4Å; A473-K476 PolarHBondContact O-N 3.13Å; L474-K476 PolarHBondContact O-N 3.45Å; L474-K476 VanDerWaalsContact O-N 3.14Å |
| 477 | Y | 93.8 | Very high | 92.4 | Very high | 105 Ų | 105 | 63.1 Ų | 63.1 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -94.4 | 137.7 | -178.7 | -70.4 | -80.1 | 0 | 0 | 0 | 111.4 | K440 A473 L474 Y479 G480 K481 | K440-Y477 HydrophobicContact CB-CD1 4.46Å; K440-Y477 HydrophobicContact CD-CD1 3.92Å; K440-Y477 HydrophobicContact CD-CD2 3.97Å; K440-Y477 HydrophobicContact CD-CE1 3.72Å; K440-Y477 HydrophobicContact CD-CE2 3.74Å; K440-Y477 HydrophobicContact CD-CG 4.04Å; K440-Y477 HydrophobicContact CG-CD1 4.15Å; K440-Y477 HydrophobicContact CG-CD2 4.11Å; K440-Y477 HydrophobicContact CG-CE1 4.46Å; K440-Y477 HydrophobicContact CG-CE2 4.4Å; K440-Y477 HydrophobicContact CG-CG 3.97Å; A473-Y477 WeakPolarHBondContact O-CD2 3.35Å; L474-Y477 PolarHBondContact O-N 2.95Å; L474-Y477 VanDerWaalsContact O-N 3.08Å; Y477-Y479 PolarHBondContact O-N 2.8Å; Y477-Y479 VanDerWaalsContact O-N 3.15Å; Y477-G480 PolarHBondContact O-N 3.39Å; Y477-K481 PolarHBondContact O-N 2.74Å |
| 478 | T | 94.8 | Very high | 92.2 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 56% | 0.558 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -44.3 | -177 | -54.4 | 0 | 0 | 0 | 0 | 112.8 | K481 | T478-K481 WeakPolarHBondContact O-CD 3.49Å; T478-K481 WeakPolarHBondContact O-CE 3.23Å; T478-K481 PolarHBondContact O-NZ 3.21Å |
| 479 | Y | 95.4 | Very high | 91.9 | Very high | 86 Ų | 86 | 69.5 Ų | 69.5 | 34% | 0.337 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -36.7 | -179.1 | -52.1 | -75.8 | 0 | 0 | 0 | 112.7 | K440 D441 Q442 Y477 K481 H482 | K440-Y479 WeakPolarHBondContact O-CD2 3.38Å; D441-Y479 WeakPolarHBondContact O-CB 3.35Å; Q442-Y479 HydrophobicContact CB-CD1 4.15Å; Q442-Y479 HydrophobicContact CB-CD2 4.12Å; Q442-Y479 HydrophobicContact CB-CE1 3.66Å; Q442-Y479 HydrophobicContact CB-CE2 3.65Å; Q442-Y479 HydrophobicContact CB-CG 4.36Å; Y477-Y479 PolarHBondContact O-N 2.8Å; Y477-Y479 VanDerWaalsContact O-N 3.15Å; Y479-K481 PolarHBondContact O-N 3.32Å; Y479-K481 VanDerWaalsContact O-N 3.09Å; Y479-H482 WeakPolarHBondContact O-CB 3.4Å; Y479-H482 PolarHBondContact O-CD2 3.48Å; Y479-H482 VanDerWaalsContact O-CD2 3.26Å; Y479-H482 PolarHBondContact O-N 3.03Å |
| 480 | G | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.5 | -29.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | M439 L474 Y477 H482 I483 | M439-G480 WeakPolarHBondContact O-CA 3.31Å; M439-G480 PolarHBondContact O-N 3.3Å; L474-G480 CarbonylContact O-C 3.57Å; L474-G480 VanDerWaalsContact O-C 3.3Å; Y477-G480 PolarHBondContact O-N 3.39Å; G480-H482 PolarHBondContact O-N 2.82Å; G480-I483 WeakPolarHBondContact O-CB 3.45Å; G480-I483 PolarHBondContact O-N 2.64Å; G480-I483 VanDerWaalsContact O-N 3.12Å |
| 481 | K | 92.8 | Very high | 90.8 | Very high | 94 Ų | 94 | 69.6 Ų | 69.6 | 41% | 0.409 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.6 | -28.3 | 174 | 74.6 | -164.3 | -170.4 | -137.4 | 0 | 113.4 | L474 Y477 T478 Y479 N484 A485 | L474-K481 PolarHBondContact O-N 3.06Å; Y477-K481 PolarHBondContact O-N 2.74Å; T478-K481 WeakPolarHBondContact O-CD 3.49Å; T478-K481 WeakPolarHBondContact O-CE 3.23Å; T478-K481 PolarHBondContact O-NZ 3.21Å; Y479-K481 PolarHBondContact O-N 3.32Å; Y479-K481 VanDerWaalsContact O-N 3.09Å; K481-N484 PolarHBondContact O-N 3.17Å; K481-A485 PolarHBondContact O-N 2.74Å; K481-A485 VanDerWaalsContact O-N 3.15Å |
| 482 | H | 93.9 | Very high | 90 | Very high | 79 Ų | 79 | 73 Ų | 73 | 37% | 0.366 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.9 | -31.1 | 178.9 | -60.9 | -63.5 | 0 | 0 | 0 | 112.4 | Y479 G480 A485 K486 | Y479-H482 WeakPolarHBondContact O-CB 3.4Å; Y479-H482 PolarHBondContact O-CD2 3.48Å; Y479-H482 VanDerWaalsContact O-CD2 3.26Å; Y479-H482 PolarHBondContact O-N 3.03Å; G480-H482 PolarHBondContact O-N 2.82Å; H482-A485 PolarHBondContact O-N 3.43Å; H482-K486 PolarHBondContact O-N 2.85Å |
| 483 | I | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 173 | -51.3 | -58.6 | 0 | 0 | 0 | 110.1 | M439 N445 V448 Q449 I467 L474 G480 A485 K486 L487 | M439-I483 HydrophobicContact CB-CG1 4.01Å; M439-I483 HydrophobicContact CG-CD1 4.3Å; M439-I483 HydrophobicContact CG-CG1 3.89Å; M439-I483 HydrophobicContact CG-CG2 4.34Å; M439-I483 HydrophobicContact SD-CG1 4.4Å; M439-I483 HydrophobicContact SD-CG2 3.92Å; N445-I483 HydrophobicContact CB-CD1 4.01Å; N445-I483 WeakPolarHBondContact O-CD1 3.39Å; V448-I483 HydrophobicContact CB-CD1 4.2Å; V448-I483 HydrophobicContact CG1-CD1 4.18Å; Q449-I483 HydrophobicContact CG-CD1 3.81Å; I467-I483 HydrophobicContact CG2-CG2 4.22Å; L474-I483 HydrophobicContact CD1-CB 4.46Å; L474-I483 HydrophobicContact CD1-CG2 4.49Å; G480-I483 WeakPolarHBondContact O-CB 3.45Å; G480-I483 PolarHBondContact O-N 2.64Å; G480-I483 VanDerWaalsContact O-N 3.12Å; I483-A485 PolarHBondContact O-N 3.38Å; I483-K486 WeakPolarHBondContact O-CB 3.17Å; I483-K486 PolarHBondContact O-N 2.82Å; I483-K486 VanDerWaalsContact O-N 3.12Å; I483-L487 WeakPolarHBondContact O-CG 3.45Å; I483-L487 PolarHBondContact O-N 3.04Å |
| 484 | N | 91.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 80.3 Ų | 80.3 | 3% | 0.027 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 177.3 | -72.4 | -9.4 | 0 | 0 | 0 | 111.9 | M471 R475 K481 K486 L487 E488 | M471-N484 PolarHBondContact O-ND2 3.39Å; R475-N484 WeakPolarHBondContact CG-ND2 3.14Å; K481-N484 PolarHBondContact O-N 3.17Å; N484-K486 PolarHBondContact O-N 3.33Å; N484-L487 PolarHBondContact O-N 3.45Å; N484-E488 WeakPolarHBondContact O-CG 3.44Å; N484-E488 PolarHBondContact O-N 2.94Å |
| 485 | A | 91.6 | Very high | 86.2 | Confident | 37 Ų | 37 | 84.8 Ų | 84.8 | 31% | 0.306 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -24.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K481 H482 I483 K489 | K481-A485 PolarHBondContact O-N 2.74Å; K481-A485 VanDerWaalsContact O-N 3.15Å; H482-A485 PolarHBondContact O-N 3.43Å; I483-A485 PolarHBondContact O-N 3.38Å; A485-K489 WeakPolarHBondContact O-CD 3.43Å; A485-K489 WeakPolarHBondContact O-CG 3.29Å |
| 486 | K | 91.4 | Very high | 84.2 | Confident | 37 Ų | 37 | 81.9 Ų | 81.9 | 16% | 0.161 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -77.2 | -44.2 | 169 | -173.8 | 167.2 | -168.4 | 160.2 | 0 | 112 | Q449 D453 H482 I483 N484 E488 K489 Y490 | Q449-K486 HydrophobicContact CB-CD 3.67Å; Q449-K486 HydrophobicContact CG-CB 4.48Å; Q449-K486 HydrophobicContact CG-CD 3.6Å; Q449-K486 WeakPolarHBondContact O-CE 3.46Å; Q449-K486 PolarHBondContact O-NZ 3.35Å; D453-K486 WeakPolarHBondContact OD1-CE 3.49Å; D453-K486 IonicContact OD1-NZ 3.41Å; D453-K486 PolarHBondContact OD1-NZ 2.83Å; D453-K486 IonicContact OD2-NZ 3.92Å; D453-K486 PolarHBondContact OD2-NZ 3.4Å; H482-K486 PolarHBondContact O-N 2.85Å; I483-K486 WeakPolarHBondContact O-CB 3.17Å; I483-K486 PolarHBondContact O-N 2.82Å; I483-K486 VanDerWaalsContact O-N 3.12Å; N484-K486 PolarHBondContact O-N 3.33Å; K486-E488 PolarHBondContact O-N 3.3Å; K486-K489 PolarHBondContact O-N 3.37Å; K486-Y490 WeakPolarHBondContact O-CB 3.26Å; K486-Y490 PolarHBondContact O-N 3.1Å |
| 487 | L | 88.5 | Confident | 81.9 | Confident | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 178.1 | -66.9 | -170.2 | 0 | 0 | 0 | 112.6 | I452 M464 I467 M471 I483 N484 K489 Y490 Y491 | I452-L487 HydrophobicContact CD1-CD2 4.02Å; M464-L487 HydrophobicContact CE-CD2 3.65Å; M464-L487 HydrophobicContact SD-CD1 4.22Å; M464-L487 HydrophobicContact SD-CD2 3.51Å; M464-L487 VanDerWaalsContact SD-CD2 3.51Å; I467-L487 HydrophobicContact CG2-CD1 3.67Å; M471-L487 HydrophobicContact CE-CB 4.27Å; M471-L487 HydrophobicContact CE-CD1 3.95Å; M471-L487 HydrophobicContact CG-CD1 4.43Å; M471-L487 HydrophobicContact SD-CD1 3.91Å; I483-L487 WeakPolarHBondContact O-CG 3.45Å; I483-L487 PolarHBondContact O-N 3.04Å; N484-L487 PolarHBondContact O-N 3.45Å; L487-K489 VanDerWaalsContact C-N 3.34Å; L487-K489 PolarHBondContact O-N 2.91Å; L487-Y490 WeakPolarHBondContact O-CB 3.23Å; L487-Y490 PolarHBondContact O-N 2.89Å; L487-Y490 VanDerWaalsContact O-N 3.08Å; L487-Y491 HydrophobicContact CB-CD2 4.41Å; L487-Y491 HydrophobicContact CB-CE2 4.22Å; L487-Y491 WeakPolarHBondContact O-CD2 3.41Å; L487-Y491 PolarHBondContact O-N 2.77Å |
| 488 | E | 87.6 | Confident | 79.5 | Confident | 110 Ų | 110 | 80.1 Ų | 80.1 | 51% | 0.514 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 174.3 | -72.3 | 160.3 | -166.5 | 0 | 0 | 110.9 | N484 K486 Y490 M492 | N484-E488 WeakPolarHBondContact O-CG 3.44Å; N484-E488 PolarHBondContact O-N 2.94Å; K486-E488 PolarHBondContact O-N 3.3Å; E488-Y490 VanDerWaalsContact C-N 3.32Å; E488-Y490 PolarHBondContact O-N 3.32Å; E488-M492 WeakPolarHBondContact O-CB 3.4Å; E488-M492 WeakPolarHBondContact O-CG 3.49Å; E488-M492 PolarHBondContact O-N 2.94Å |
| 489 | K | 85.6 | Confident | 76.9 | Confident | 149 Ų | 149 | 82.1 Ų | 82.1 | 65% | 0.648 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.5 | -34.2 | 173.7 | -68.5 | 172.7 | -176.2 | 178.5 | 0 | 113 | A485 K486 L487 K493 | A485-K489 WeakPolarHBondContact O-CD 3.43Å; A485-K489 WeakPolarHBondContact O-CG 3.29Å; K486-K489 PolarHBondContact O-N 3.37Å; L487-K489 VanDerWaalsContact C-N 3.34Å; L487-K489 PolarHBondContact O-N 2.91Å; K489-K493 WeakPolarHBondContact O-CG 3.23Å; K489-K493 PolarHBondContact O-N 3.49Å; K489-K493 VanDerWaalsContact O-N 3.14Å |
| 490 | Y | 80.8 | Confident | 74 | Confident | 67 Ų | 67 | 84.5 Ų | 84.5 | 26% | 0.263 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.4 | -47.8 | 179.2 | -172.5 | -103.3 | 0 | 0 | 0 | 111.6 | L460 K486 L487 E488 K493 I494 | L460-Y490 HydrophobicContact CD2-CE1 3.81Å; L460-Y490 WeakPolarHBondContact CD2-OH 3.34Å; K486-Y490 WeakPolarHBondContact O-CB 3.26Å; K486-Y490 PolarHBondContact O-N 3.1Å; L487-Y490 WeakPolarHBondContact O-CB 3.23Å; L487-Y490 PolarHBondContact O-N 2.89Å; L487-Y490 VanDerWaalsContact O-N 3.08Å; E488-Y490 VanDerWaalsContact C-N 3.32Å; E488-Y490 PolarHBondContact O-N 3.32Å; Y490-K493 PolarHBondContact O-N 3.45Å; Y490-I494 HydrophobicContact CD1-CD1 3.79Å; Y490-I494 HydrophobicContact CE1-CD1 3.22Å; Y490-I494 HydrophobicContact CE1-CG1 4.32Å; Y490-I494 PolarHBondContact O-N 2.97Å; Y490-I494 VanDerWaalsContact O-N 3.17Å |
| 491 | Y | 79 | Confident | 71.1 | Confident | 84 Ų | 84 | 87.6 Ų | 87.6 | 33% | 0.329 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 173.9 | -70.2 | -63.3 | 0 | 0 | 0 | 111.7 | L487 K493 I494 T495 | L487-Y491 HydrophobicContact CB-CD2 4.41Å; L487-Y491 HydrophobicContact CB-CE2 4.22Å; L487-Y491 WeakPolarHBondContact O-CD2 3.41Å; L487-Y491 PolarHBondContact O-N 2.77Å; Y491-K493 PolarHBondContact O-N 3.4Å; Y491-I494 PolarHBondContact O-N 3.13Å; Y491-T495 PolarHBondContact O-N 3.25Å; Y491-T495 PolarHBondContact O-OG1 3.29Å; Y491-T495 VanDerWaalsContact O-OG1 3.12Å |
| 492 | M | 73.3 | Confident | 68.3 | Low | 119 Ų | 119 | 89.8 Ų | 89.8 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.8 | -33.1 | 174.6 | -70.6 | -88.5 | 87.6 | 0 | 0 | 113.4 | E488 | E488-M492 WeakPolarHBondContact O-CB 3.4Å; E488-M492 WeakPolarHBondContact O-CG 3.49Å; E488-M492 PolarHBondContact O-N 2.94Å |
| 493 | K | 72.2 | Confident | 65.4 | Low | 167 Ų | 167 | 90.1 Ų | 90.1 | 73% | 0.726 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.1 | -33.1 | 173.5 | -78.7 | -176.1 | 174.2 | -170.3 | 0 | 113.5 | K489 Y490 Y491 | K489-K493 WeakPolarHBondContact O-CG 3.23Å; K489-K493 PolarHBondContact O-N 3.49Å; K489-K493 VanDerWaalsContact O-N 3.14Å; Y490-K493 PolarHBondContact O-N 3.45Å; Y491-K493 PolarHBondContact O-N 3.4Å |
| 494 | I | 67.3 | Low | 62.4 | Low | 93 Ų | 93 | 94.9 Ų | 94.9 | 48% | 0.477 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -77.1 | -40.7 | 178.1 | -67.9 | 166.8 | 0 | 0 | 0 | 111.5 | Y490 Y491 N496 P497 | Y490-I494 HydrophobicContact CD1-CD1 3.79Å; Y490-I494 HydrophobicContact CE1-CD1 3.22Å; Y490-I494 HydrophobicContact CE1-CG1 4.32Å; Y490-I494 PolarHBondContact O-N 2.97Å; Y490-I494 VanDerWaalsContact O-N 3.17Å; Y491-I494 PolarHBondContact O-N 3.13Å; I494-N496 VanDerWaalsContact C-N 3.27Å; I494-N496 PolarHBondContact O-N 3.45Å; I494-P497 WeakPolarHBondContact O-CD 3.37Å |
| 495 | T | 57.2 | Low | 59.5 | Low | 96 Ų | 96 | 98.8 Ų | 98.8 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.5 | -21.3 | -175.7 | -54.1 | 0 | 0 | 0 | 0 | 112.8 | Y491 P497 | Y491-T495 PolarHBondContact O-N 3.25Å; Y491-T495 PolarHBondContact O-OG1 3.29Å; Y491-T495 VanDerWaalsContact O-OG1 3.12Å; T495-P497 VanDerWaalsContact O-CD 3.23Å; T495-P497 WeakPolarHBondContact O-CD 3.31Å |
| 496 | N | 49.8 | Very low | 56.5 | Low | 113 Ų | 113 | 100.5 Ų | 100.5 | 60% | 0.604 | 61% | 0.614 | S | S | * | * | trans | -115.2 | 68.3 | 176 | -68.6 | -15.6 | 0 | 0 | 0 | 112.2 | I494 I498 | I494-N496 VanDerWaalsContact C-N 3.27Å; I494-N496 PolarHBondContact O-N 3.45Å; N496-I498 PolarHBondContact O-N 2.8Å | ||
| 497 | P | 46.4 | Very low | 53.9 | Low | 101 Ų | 101 | 105.7 Ų | 105.7 | 66% | 0.656 | 65% | 0.648 | S | S | * | * | trans | -70.5 | 111.6 | 166.6 | 31.3 | -29.2 | 0 | 0 | 0 | 107.9 | I494 T495 T499 | I494-P497 WeakPolarHBondContact O-CD 3.37Å; T495-P497 VanDerWaalsContact O-CD 3.23Å; T495-P497 WeakPolarHBondContact O-CD 3.31Å; P497-T499 PolarHBondContact O-N 2.76Å | ||
| 498 | I | 43.2 | Very low | 51.4 | Low | 154 Ų | 154 | 111.2 Ų | 111.2 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | trans | -64 | 120.5 | -179.9 | -65.2 | 176.9 | 0 | 0 | 0 | 109 | N496 V500 | N496-I498 PolarHBondContact O-N 2.8Å; I498-V500 PolarHBondContact O-N 3.09Å | ||
| 499 | T | 39.4 | Very low | 48.6 | Very low | 133 Ų | 133 | 110.7 Ų | 110.7 | 82% | 0.816 | 70% | 0.699 | S | S | * | * | trans | -59.2 | 109.2 | 172.8 | -37.9 | 0 | 0 | 0 | 0 | 109.4 | P497 G501 | P497-T499 PolarHBondContact O-N 2.76Å; T499-G501 PolarHBondContact O-N 3.05Å | ||
| 500 | V | 35.2 | Very low | 46 | Very low | 136 Ų | 136 | 108.3 Ų | 108.3 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | trans | -70.6 | 98.3 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | I498 T502 | I498-V500 PolarHBondContact O-N 3.09Å; V500-T502 PolarHBondContact O-N 2.92Å | ||
| 501 | G | 32.9 | Very low | 43.7 | Very low | 65 Ų | 65 | 111.2 Ų | 111.2 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | trans | -67.6 | 112.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T499 G503 | T499-G501 PolarHBondContact O-N 3.05Å; G501-G503 PolarHBondContact O-N 3.09Å | ||
| 502 | T | 33.9 | Very low | 41.4 | Very low | 139 Ų | 139 | 113.2 Ų | 113.2 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -62.6 | 115.8 | 160.2 | 47.2 | 0 | 0 | 0 | 0 | 108.9 | V500 A504 | V500-T502 PolarHBondContact O-N 2.92Å; T502-A504 PolarHBondContact O-N 3.37Å | ||
| 503 | G | 32.1 | Very low | 39.4 | Very low | 87 Ų | 87 | 112.6 Ų | 112.6 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -69.7 | 121.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G501 | G501-G503 PolarHBondContact O-N 3.09Š| ||
| 504 | A | 31.4 | Very low | 37.4 | Very low | 99 Ų | 99 | 109.2 Ų | 109.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -133.8 | 136.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108 | T502 | T502-A504 PolarHBondContact O-N 3.37Š| ||
| 505 | G | 30.7 | Very low | 35.6 | Very low | 87 Ų | 87 | 109.5 Ų | 109.5 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -78.9 | 152.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 506 | G | 28 | Very low | 34.3 | Very low | 74 Ų | 74 | 111.3 Ų | 111.3 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -165.4 | 102 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 507 | V | 37.1 | Very low | 33.4 | Very low | 145 Ų | 145 | 110.7 Ų | 110.7 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -89 | 136.2 | 175.4 | -167 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 508 | P | 35.5 | Very low | 32.8 | Very low | 118 Ų | 118 | 111.2 Ų | 111.2 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | trans | -114.2 | 143.7 | 150.7 | 3.6 | 17.6 | 0 | 0 | 0 | 111.3 | ||||
| 509 | A | 29 | Very low | 32.1 | Very low | 99 Ų | 99 | 107.2 Ų | 107.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -78.3 | 167.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 510 | A | 31.5 | Very low | 31.7 | Very low | 99 Ų | 99 | 105.3 Ų | 105.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -73.6 | 151.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 511 | S | 31.7 | Very low | 31.4 | Very low | 128 Ų | 128 | 104.9 Ų | 104.9 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -142.1 | 120.9 | 159.1 | -73.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 512 | S | 31.1 | Very low | 31.3 | Very low | 126 Ų | 126 | 107 Ų | 107 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | trans | -98.8 | 135.9 | -179.2 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 513 | A | 31.9 | Very low | 31.2 | Very low | 106 Ų | 106 | 105.2 Ų | 105.2 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | -145 | 139.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 514 | A | 29.8 | Very low | 31.1 | Very low | 96 Ų | 96 | 106.1 Ų | 106.1 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -141.3 | 141.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 515 | A | 30.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 107.8 Ų | 107.8 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | 63.2 | 167.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 516 | V | 28.9 | Very low | 31.1 | Very low | 135 Ų | 135 | 109.9 Ų | 109.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -133 | 161.1 | 9.3 | -166.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 517 | S | 31.5 | Very low | 31.3 | Very low | 99 Ų | 99 | 110.3 Ų | 110.3 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -66.5 | 175.3 | 167.5 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 518 | S | 33.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 108.6 Ų | 108.6 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | -175.3 | 167 | 52.4 | -45.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 519 | G | 27.4 | Very low | 30.7 | Very low | 70 Ų | 70 | 108.5 Ų | 108.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 106.3 | 122 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 520 | A | 31 | Very low | 30.8 | Very low | 94 Ų | 94 | 109.6 Ų | 109.6 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | cis | 69.7 | 127.8 | 37.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 521 | T | 30.6 | Very low | 30.7 | Very low | 126 Ų | 126 | 108.4 Ų | 108.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | -159.5 | 155.2 | 19.2 | -12.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 522 | S | 30.8 | Very low | 30.8 | Very low | 109 Ų | 109 | 108 Ų | 108 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | 73.6 | 143.3 | 143.9 | -60.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 523 | A | 31.3 | Very low | 30.9 | Very low | 102 Ų | 102 | 106.8 Ų | 106.8 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 63.8 | 144.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 524 | S | 29.1 | Very low | 31 | Very low | 107 Ų | 107 | 107.4 Ų | 107.4 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | 134.7 | 94.8 | -8 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 525 | V | 32 | Very low | 31 | Very low | 133 Ų | 133 | 108.6 Ų | 108.6 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -169 | 138.8 | 147.9 | -96.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 526 | T | 31.1 | Very low | 31 | Very low | 131 Ų | 131 | 110.7 Ų | 110.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | 65.5 | 122.9 | 69.4 | -41.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 527 | A | 32.2 | Very low | 31.1 | Very low | 83 Ų | 83 | 110.1 Ų | 110.1 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | cis | -154 | -167.9 | 20.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 528 | C | 27.7 | Very low | 31.1 | Very low | 110 Ų | 110 | 110.2 Ų | 110.2 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -42.3 | 178.9 | 166.4 | 57.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 529 | T | 31 | Very low | 31 | Very low | 116 Ų | 116 | 111.4 Ų | 111.4 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | cis | -165.3 | 169.4 | 24 | -20.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 530 | S | 32.4 | Very low | 31.4 | Very low | 121 Ų | 121 | 113.3 Ų | 113.3 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | 72.8 | 148.2 | 155.4 | -55.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 531 | G | 29.5 | Very low | 31.6 | Very low | 75 Ų | 75 | 116.2 Ų | 116.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | -172.1 | 166.4 | -3.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 532 | S | 33.6 | Very low | 31.7 | Very low | 119 Ų | 119 | 114.6 Ų | 114.6 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -86 | 169.1 | 178.4 | -41.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 533 | S | 33.5 | Very low | 31.7 | Very low | 101 Ų | 101 | 117.7 Ų | 117.7 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | cis | -171.9 | 175.4 | 1.5 | 25.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 534 | T | 33 | Very low | 31.6 | Very low | 118 Ų | 118 | 117.4 Ų | 117.4 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | 84.8 | 119.7 | 141.8 | 24.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 535 | T | 31 | Very low | 31.7 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 60.2 | 132.2 | 142.4 | 34.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 536 | T | 29.6 | Very low | 32.4 | Very low | 143 Ų | 143 | 117.7 Ų | 117.7 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | -165.9 | 177.5 | 120.8 | 12.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 537 | T | 31.6 | Very low | 32.5 | Very low | 123 Ų | 123 | 117 Ų | 117 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -137.5 | 166 | -162 | 45.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 538 | S | 32.2 | Very low | 32.3 | Very low | 100 Ų | 100 | 120.1 Ų | 120.1 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | 72.2 | 126 | 143.8 | 56 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 539 | T | 30.8 | Very low | 32.2 | Very low | 138 Ų | 138 | 120.2 Ų | 120.2 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -176.4 | 173.2 | 142.5 | 18.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 540 | T | 35.8 | Very low | 32.1 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | -158.8 | 144.8 | -99.6 | 30.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 541 | N | 34.3 | Very low | 31.8 | Very low | 155 Ų | 155 | 119.8 Ų | 119.8 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | 64.2 | 162.1 | 159.2 | -65.5 | -3.5 | 0 | 0 | 0 | 118.6 | ||||
| 542 | S | 33.3 | Very low | 31.7 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | cis | -175.5 | 175.8 | -34.4 | 58.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 543 | L | 30.5 | Very low | 31.5 | Very low | 174 Ų | 174 | 124.7 Ų | 124.7 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | trans | 97.5 | 151.5 | 157.6 | -66.2 | 157.8 | 0 | 0 | 0 | 121.8 | ||||
| 544 | A | 29.8 | Very low | 31.3 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | trans | 104.3 | 127.5 | 156 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 545 | S | 31 | Very low | 31 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -148.7 | 147.8 | 168 | -57.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 546 | P | 46.7 | Very low | 31 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -147.5 | 175.4 | 140.4 | 34.3 | -16.4 | 0 | 0 | 0 | 114.8 | ||||
| 547 | T | 32.3 | Very low | 30.9 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | cis | -176.3 | 135 | -49.5 | -95.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 548 | I | 29.6 | Very low | 30.8 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 70.6 | 125.9 | 161.4 | -79 | 164.7 | 0 | 0 | 0 | 121.4 | ||||
| 549 | C | 24.5 | Very low | 30.7 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | 147.7 | 113.3 | 135.9 | -91.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 550 | S | 28.9 | Very low | 30.6 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | cis | 86.8 | 156.4 | 30.2 | 86.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 551 | V | 27.3 | Very low | 30.4 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | 81.9 | 111 | -167.9 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 552 | Q | 27.3 | Very low | 31.4 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | cis | 71.5 | 142.7 | 26.6 | -109.8 | 173 | -52.3 | 0 | 0 | 113.2 | ||||
| 553 | E | 29.2 | Very low | 31.2 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 65% | 0.654 | 78% | 0.784 | S | S | * | * | cis | -163.3 | -175.8 | 7.4 | -162.8 | 154.7 | -126.3 | 0 | 0 | 110.8 | ||||
| 554 | N | 28.9 | Very low | 31.6 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 76.4 | 147.6 | 164.6 | -64.4 | -42.8 | 0 | 0 | 0 | 119.5 | ||||
| 555 | G | 27.6 | Very low | 32.4 | Very low | 61 Ų | 61 | 128.9 Ų | 128.9 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | cis | 166.5 | 167.1 | -7.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 556 | S | 29.2 | Very low | 32.4 | Very low | 128 Ų | 128 | 131 Ų | 131 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | 71.7 | 125.6 | 176.9 | -52.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 557 | A | 29.1 | Very low | 31.7 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | cis | 104 | 103.8 | 4.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 558 | M | 28.6 | Very low | 31.6 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -155.4 | 133.5 | 145.7 | -68 | -167 | -178.3 | 0 | 0 | 105 | ||||
| 559 | I | 30.8 | Very low | 31.7 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | cis | 73.3 | 89.6 | 30.2 | -45.9 | 175.7 | 0 | 0 | 0 | 114.2 | ||||
| 560 | V | 29 | Very low | 32 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -151.7 | 133.8 | 138.1 | -179.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 561 | E | 29.9 | Very low | 32.1 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -159.1 | 172.9 | 164.8 | -142.5 | -159.9 | -143.8 | 0 | 0 | 107.5 | ||||
| 562 | P | 55.8 | Low | 32.3 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | -101.6 | 171.8 | -63.9 | 34 | -24.2 | 0 | 0 | 0 | 112.5 | |||||
| 563 | S | 30.2 | Very low | 32.6 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -154.3 | 124.3 | 168.4 | -74 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 564 | S | 37.5 | Very low | 32.7 | Very low | 121 Ų | 121 | 125 Ų | 125 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -134.5 | 148.4 | 146.8 | -61.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 565 | P | 47.9 | Very low | 33 | Very low | 122 Ų | 122 | 124 Ų | 124 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | -153.5 | -178.7 | 111.2 | 39.3 | -20.7 | 0 | 0 | 0 | 116.8 | |||||
| 566 | D | 31.1 | Very low | 33.4 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -34.1 | 154 | 178.3 | -57 | -66.3 | 0 | 0 | 0 | 123.2 | ||||
| 567 | A | 31.4 | Very low | 33.5 | Very low | 84 Ų | 84 | 124 Ų | 124 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | 179 | 115.9 | 129.6 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 568 | S | 30.8 | Very low | 33.9 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | 43 | 121.8 | 89 | 67.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 569 | E | 29.7 | Very low | 34.4 | Very low | 179 Ų | 179 | 121.6 Ų | 121.6 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | cis | -165.3 | -179.5 | 42 | -96.3 | -154.2 | -116 | 0 | 0 | 110.5 | ||||
| 570 | S | 31.1 | Very low | 34.6 | Very low | 80 Ų | 80 | 120.8 Ų | 120.8 | 56% | 0.559 | 78% | 0.775 | S | S | * | * | cis | -175.2 | -156.5 | -27.5 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 571 | S | 31.2 | Very low | 35 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 68.4 | 82.8 | 152.9 | -58.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 572 | S | 32 | Very low | 35.4 | Very low | 113 Ų | 113 | 113.4 Ų | 113.4 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | 43.3 | 122 | 123.4 | 64.6 | 0 | 0 | 0 | 0 | 125 | |||||
| 573 | S | 33.3 | Very low | 34.4 | Very low | 108 Ų | 108 | 117.5 Ų | 117.5 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | -175.2 | 124.6 | 118.4 | 48.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 574 | V | 31.9 | Very low | 34.6 | Very low | 129 Ų | 129 | 115 Ų | 115 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | 52.7 | 115.2 | 85.9 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 575 | V | 35.5 | Very low | 36 | Very low | 132 Ų | 132 | 115.4 Ų | 115.4 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | -136.9 | 143.5 | 60.5 | -176.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 576 | S | 35 | Very low | 35.6 | Very low | 112 Ų | 112 | 118.1 Ų | 118.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -32 | 162.5 | 156.5 | -44 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 577 | G | 32.1 | Very low | 35.7 | Very low | 76 Ų | 76 | 113.4 Ų | 113.4 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | cis | 174.3 | -154.9 | 6.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 578 | A | 37.1 | Very low | 37 | Very low | 86 Ų | 86 | 115.4 Ų | 115.4 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | -167.3 | 132.5 | -20.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 579 | V | 38.3 | Very low | 37.9 | Very low | 137 Ų | 137 | 115.3 Ų | 115.3 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | 54.8 | 156.8 | 161.5 | -65.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 580 | N | 36.1 | Very low | 38.4 | Very low | 141 Ų | 141 | 112.5 Ų | 112.5 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | cis | -145 | 174.2 | 10.5 | -147.7 | 4.5 | 0 | 0 | 0 | 114.6 | ||||
| 581 | S | 36.5 | Very low | 38.7 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -54.6 | 161.8 | 163 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 582 | G | 37.9 | Very low | 38.8 | Very low | 71 Ų | 71 | 115.1 Ų | 115.1 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | cis | 109.9 | 101.5 | 7.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 583 | L | 36 | Very low | 39.3 | Very low | 189 Ų | 189 | 117.5 Ų | 117.5 | 99% | 0.99 | 78% | 0.782 | S | S | * | * | trans | -153 | 156.4 | 172 | -102.6 | 171.4 | 0 | 0 | 0 | 109.7 | ||||
| 584 | G | 34.6 | Very low | 39.7 | Very low | 68 Ų | 68 | 118.5 Ų | 118.5 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -105.3 | -140.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 585 | P | 66.6 | Low | 40.2 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | -128 | 151.3 | -113.9 | 37.1 | -22.5 | 0 | 0 | 0 | 115.9 | |||||
| 586 | I | 38.4 | Very low | 40.6 | Very low | 179 Ų | 179 | 123.2 Ų | 123.2 | 92% | 0.918 | 80% | 0.802 | S | S | * | * | trans | -138.9 | 151.7 | 171 | -59.4 | -177.1 | 0 | 0 | 0 | 110 | ||||
| 587 | G | 34.7 | Very low | 40.8 | Very low | 63 Ų | 63 | 123.8 Ų | 123.8 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | trans | -88.4 | -166.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 588 | P | 57.9 | Low | 41.3 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -96.3 | 173.6 | -163.7 | 43.5 | -40.7 | 0 | 0 | 0 | 113 | ||||
| 589 | P | 49.7 | Very low | 41.5 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | -153.9 | 165.3 | 83.3 | 42.7 | -23.6 | 0 | 0 | 0 | 118.4 | |||||
| 590 | T | 40.4 | Very low | 41.7 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 37.8 | 122 | 145.4 | 57.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 591 | N | 36.7 | Very low | 42.1 | Very low | 165 Ų | 165 | 127.3 Ų | 127.3 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | -162.5 | 151.4 | 112 | -91.9 | -23.9 | 0 | 0 | 0 | 109 | |||||
| 592 | G | 34.7 | Very low | 42.5 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | cis | 124.3 | 76.9 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 593 | N | 41.1 | Very low | 42.8 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | trans | -157.5 | 148.7 | 160.4 | -134.7 | 1.8 | 0 | 0 | 0 | 112.6 | ||||
| 594 | V | 42.1 | Very low | 43.3 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -147 | 161.2 | -177.5 | -167 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 595 | V | 43.2 | Very low | 44 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 76% | 0.758 | 83% | 0.825 | S | S | * | * | trans | 75.7 | 102.1 | 171.6 | -167.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 596 | L | 42.8 | Very low | 42 | Very low | 236 Ų | 236 | 134.9 Ų | 134.9 | 100% | 1.236 | 82% | 0.824 | S | S | * | * | -140.6 | 0 | 91.8 | -104 | 168.6 | 0 | 0 | 0 | 110.1 |
Retrieved 596 of 596 residues in 597.2 ms
(Link to these results)