| 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 | M | 37.8 | Very low | 30.5 | Very low | 256 Ų | 256 | 132 Ų | 132 | 100% | 1.261 | 85% | 0.852 | S | S | * | * | 0 | 89.2 | 0 | -74.2 | 172.8 | 166.9 | 0 | 0 | 105.7 | |||||
| 2 | G | 34.6 | Very low | 30.4 | Very low | 74 Ų | 74 | 140.5 Ų | 140.5 | 76% | 0.763 | 85% | 0.854 | S | S | * | * | 133.3 | 88.7 | 55.7 | 0 | 0 | 0 | 0 | 0 | 103.1 | |||||
| 3 | D | 29.1 | Very low | 30.3 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 72% | 0.717 | 86% | 0.859 | S | S | * | * | 78.8 | 135.2 | 81.1 | -157.8 | 30.2 | 0 | 0 | 0 | 113.4 | |||||
| 4 | R | 33.1 | Very low | 30.2 | Very low | 219 Ų | 219 | 154.7 Ų | 154.7 | 83% | 0.826 | 86% | 0.862 | S | S | * | * | trans | 84.1 | 120.3 | 165.5 | -57.2 | 166.6 | -171.5 | -158.8 | -6.1 | 116.9 | ||||
| 5 | G | 29 | Very low | 30.1 | Very low | 84 Ų | 84 | 153.9 Ų | 153.9 | 87% | 0.866 | 86% | 0.863 | S | S | * | * | cis | 92.8 | 130.5 | 43.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 6 | G | 28 | Very low | 29.9 | Very low | 73 Ų | 73 | 149.1 Ų | 149.1 | 75% | 0.753 | 86% | 0.858 | S | S | * | * | cis | 140.4 | 154.5 | 26.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 7 | A | 30.5 | Very low | 29.8 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 98% | 0.975 | 86% | 0.86 | S | S | * | * | trans | 72.2 | 145.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 8 | G | 27.8 | Very low | 29.6 | Very low | 76 Ų | 76 | 152.1 Ų | 152.1 | 78% | 0.784 | 86% | 0.86 | S | S | * | * | cis | 167.3 | 179.1 | 5.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 9 | G | 28.8 | Very low | 30.1 | Very low | 76 Ų | 76 | 149.9 Ų | 149.9 | 78% | 0.784 | 85% | 0.852 | S | S | * | * | trans | 95.2 | 96.5 | 165 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 10 | S | 26.9 | Very low | 30.1 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 84% | 0.843 | S | S | * | * | 60.9 | 103 | 65 | 132 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 11 | R | 30.1 | Very low | 30 | Very low | 233 Ų | 233 | 144.5 Ų | 144.5 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | 158 | 121.3 | 122.1 | -95.2 | 175.4 | 170.7 | 174.6 | -3.1 | 109.6 | |||||
| 12 | R | 29 | Very low | 29.6 | Very low | 234 Ų | 234 | 141.1 Ų | 141.1 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | 90.5 | 105.3 | 56.4 | -149.9 | -170.5 | -158.5 | -165.7 | 5.4 | 114.3 | |||||
| 13 | R | 29.2 | Very low | 29.3 | Very low | 241 Ų | 241 | 141.6 Ų | 141.6 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | 163.7 | 111.6 | 139.9 | -101.1 | -178.6 | 167.9 | -179.7 | -3.6 | 107 | ||||
| 14 | R | 28.5 | Very low | 29.2 | Very low | 239 Ų | 239 | 139.1 Ų | 139.1 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | cis | 55.8 | 110.6 | 49.6 | -111.2 | -162.7 | -177.7 | -179.8 | 1 | 115 | ||||
| 15 | T | 28.8 | Very low | 28.9 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | -171.7 | 119.6 | 121 | 34.4 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 16 | G | 27.4 | Very low | 28.6 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | 87.8 | 121 | 79.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 17 | S | 27.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 135 Ų | 135 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | -165.4 | 146.3 | 56 | 46 | 0 | 0 | 0 | 0 | 113 | |||||
| 18 | R | 27.5 | Very low | 29.3 | Very low | 225 Ų | 225 | 134.4 Ų | 134.4 | 85% | 0.849 | 82% | 0.822 | S | S | * | * | trans | -75.3 | 177.2 | 166.8 | -129.1 | -179.8 | -170.5 | -178.1 | 1.3 | 109.8 | ||||
| 19 | P | 39.3 | Very low | 29.4 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 71% | 0.714 | 83% | 0.825 | S | S | * | * | -147.5 | 144 | 64.3 | 43.3 | -23.3 | 0 | 0 | 0 | 115.1 | |||||
| 20 | S | 28.9 | Very low | 29.3 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 82% | 0.824 | S | S | * | * | 64.9 | 141.6 | 107.1 | 78.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 21 | S | 28.4 | Very low | 29.3 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 64% | 0.643 | 83% | 0.829 | S | S | * | * | cis | 175.8 | 149.1 | 27.7 | 31.1 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 22 | H | 29 | Very low | 29.1 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | cis | -153.7 | 143.3 | 41.4 | -82.6 | -57.7 | 0 | 0 | 0 | 106.5 | ||||
| 23 | G | 27.8 | Very low | 28.9 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | 81.7 | 123.9 | 66.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 24 | G | 27.3 | Very low | 28.8 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | cis | 167.1 | 158.3 | 4.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 25 | G | 26.5 | Very low | 28.6 | Very low | 84 Ų | 84 | 128.3 Ų | 128.3 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 92.5 | 116.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 26 | G | 24.3 | Very low | 28.4 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -86.3 | -153.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 27 | P | 44.3 | Very low | 28.2 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | cis | -134.1 | -171.8 | -13.4 | 40.6 | -22.2 | 0 | 0 | 0 | 113.8 | ||||
| 28 | A | 28 | Very low | 28.1 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | 78.4 | 148.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 29 | A | 29.4 | Very low | 28 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -101 | 149.7 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 30 | A | 27.6 | Very low | 27.4 | Very low | 93 Ų | 93 | 121 Ų | 121 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -179.2 | 127.7 | 137.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 31 | E | 26.3 | Very low | 27.4 | Very low | 185 Ų | 185 | 122.5 Ų | 122.5 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | 55.8 | 117.9 | 140.4 | -68.6 | 175 | 172.5 | 0 | 0 | 124.6 | ||||
| 32 | E | 25.8 | Very low | 27.6 | Very low | 190 Ų | 190 | 126.1 Ų | 126.1 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | 73.1 | 138.1 | 129.4 | -119.8 | 175.3 | -173.1 | 0 | 0 | 124.9 | |||||
| 33 | E | 26 | Very low | 27.8 | Very low | 173 Ų | 173 | 126.1 Ų | 126.1 | 81% | 0.808 | 83% | 0.834 | S | S | * | * | trans | 108.1 | 93.1 | 152.8 | -107.6 | -174.2 | 173.5 | 0 | 0 | 122 | ||||
| 34 | V | 25.8 | Very low | 27.8 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 70% | 0.703 | 83% | 0.829 | S | S | * | * | 49.2 | 108.2 | 125.6 | -175.6 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 35 | R | 24.7 | Very low | 28 | Very low | 220 Ų | 220 | 126.6 Ų | 126.6 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | 162.3 | 139 | 104.4 | -117.3 | 160.1 | -172.3 | -172.9 | 1.8 | 113.7 | |||||
| 36 | D | 24 | Very low | 28.3 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 78% | 0.775 | 83% | 0.826 | S | S | * | * | trans | 55.4 | 105.3 | 153.2 | -58.6 | -26.9 | 0 | 0 | 0 | 121.5 | ||||
| 37 | A | 24.2 | Very low | 28.6 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | 162.8 | 140.4 | 105 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 38 | A | 25.3 | Very low | 28.1 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | 83.3 | 127.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 39 | A | 25.9 | Very low | 28.4 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | 84 | 89.8 | 144 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 40 | G | 26.1 | Very low | 28.8 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | 90.6 | 126.4 | 121.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 41 | P | 29.7 | Very low | 29.2 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -112.9 | 118.4 | 152.1 | 32.8 | -19.3 | 0 | 0 | 0 | 111.2 | ||||
| 42 | D | 30.9 | Very low | 29.8 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -87.4 | 110.2 | 161.3 | -114.1 | -21.7 | 0 | 0 | 0 | 108.6 | ||||
| 43 | M | 33.9 | Very low | 30.3 | Very low | 184 Ų | 184 | 121.5 Ų | 121.5 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -137.4 | 82.8 | 166.9 | -90.9 | -75.7 | -123.8 | 0 | 0 | 109.7 | ||||
| 44 | G | 28.7 | Very low | 30.8 | Very low | 72 Ų | 72 | 119.1 Ų | 119.1 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | 66.6 | 62.7 | 118.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 45 | A | 31.2 | Very low | 31.2 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | 36.9 | 90.2 | 133.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 46 | A | 32.7 | Very low | 32 | Very low | 97 Ų | 97 | 118 Ų | 118 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -80.4 | 128.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | D48 | A46-D48 PolarHBondContact O-N 3.18Š| ||
| 47 | G | 30 | Very low | 32.6 | Very low | 81 Ų | 81 | 118.6 Ų | 118.6 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -74.6 | 107.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 48 | D | 33.2 | Very low | 33.1 | Very low | 162 Ų | 162 | 119 Ų | 119 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 123.9 | 160.1 | -76.7 | -34.4 | 0 | 0 | 0 | 109.2 | A46 | A46-D48 PolarHBondContact O-N 3.18Š|
| 49 | A | 35.4 | Very low | 33.9 | Very low | 89 Ų | 89 | 121.3 Ų | 121.3 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 142.4 | 168 | 0 | 0 | 0 | 0 | 0 | 109.3 | A51 | A49-A51 PolarHBondContact O-N 2.71Š|
| 50 | P | 37.5 | Very low | 34.6 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 128.2 | 179.1 | 25.4 | -27.2 | 0 | 0 | 0 | 109.7 | ||
| 51 | A | 36.8 | Very low | 35.4 | Very low | 87 Ų | 87 | 123.3 Ų | 123.3 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 145 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | A49 | A49-A51 PolarHBondContact O-N 2.71Š|
| 52 | P | 37.7 | Very low | 36 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66 | 138.1 | 176.7 | 28.3 | -32.7 | 0 | 0 | 0 | 110.1 | ||
| 53 | A | 36 | Very low | 36.5 | Very low | 92 Ų | 92 | 120.2 Ų | 120.2 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 138.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 54 | P | 37.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 135.2 | 177.3 | 29.1 | -31.8 | 0 | 0 | 0 | 110.3 | K56 | P54-K56 PolarHBondContact O-N 3.03Š|
| 55 | S | 33.4 | Very low | 38 | Very low | 118 Ų | 118 | 117.2 Ų | 117.2 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124.5 | 171.6 | 49.9 | 0 | 0 | 0 | 0 | 110 | D57 | S55-D57 PolarHBondContact O-N 3.06Š|
| 56 | K | 41.2 | Very low | 38.6 | Very low | 196 Ų | 196 | 119.9 Ų | 119.9 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 118.2 | 162.3 | -86.8 | 177.7 | 169.4 | 179.6 | 0 | 107.8 | P54 | P54-K56 PolarHBondContact O-N 3.03Š|
| 57 | D | 37.3 | Very low | 39.5 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | -177.5 | 145.5 | 127.2 | -82.2 | -22.6 | 0 | 0 | 0 | 110.5 | S55 | S55-D57 PolarHBondContact O-N 3.06Š| |||
| 58 | A | 35.3 | Very low | 41 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | 100.3 | 107.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 59 | D | 42.6 | Very low | 42.5 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -57 | 151.8 | 171.4 | -115.7 | -24 | 0 | 0 | 0 | 114.9 | ||||
| 60 | D | 39.3 | Very low | 44.2 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | 160.6 | 128.7 | 114 | -92 | -33.2 | 0 | 0 | 0 | 110.9 | |||||
| 61 | G | 43.8 | Very low | 46.2 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -80.2 | 143 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 62 | V | 41.1 | Very low | 48.5 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -159 | 141.4 | 148.4 | 151.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 63 | A | 42.5 | Very low | 50.8 | Low | 83 Ų | 83 | 140 Ų | 140 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | trans | -77.6 | 154.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 64 | S | 50.6 | Low | 53.3 | Low | 126 Ų | 126 | 144.6 Ų | 144.6 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | 58.6 | 125 | 149.3 | 67.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 65 | G | 43.3 | Very low | 55.7 | Low | 67 Ų | 67 | 146.2 Ų | 146.2 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | 142.7 | 117.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 66 | H | 44.3 | Very low | 58.2 | Low | 159 Ų | 159 | 145.1 Ų | 145.1 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 67.2 | 100.5 | 161.7 | -73.4 | -89.8 | 0 | 0 | 0 | 118.9 | E68 | H66-E68 VanDerWaalsContact C-N 3.29Å; H66-E68 PolarHBondContact O-N 3.28Å |
| 67 | W | 52 | Low | 60.4 | Low | 218 Ų | 218 | 139.8 Ų | 139.8 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | 30.3 | 26.4 | 139.3 | 78.3 | -81.4 | 0 | 0 | 0 | 122.2 | L69 | W67-L69 PolarHBondContact O-N 3.11Š| ||
| 68 | E | 60.7 | Low | 62.6 | Low | 133 Ų | 133 | 137.1 Ų | 137.1 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | trans | -79.3 | 71.7 | 174.5 | -72.9 | -164.4 | -178.7 | 0 | 0 | 111.9 | H66 R70 | H66-E68 VanDerWaalsContact C-N 3.29Å; H66-E68 PolarHBondContact O-N 3.28Å; E68-R70 HydrophobicContact CB-CG 4.24Å; E68-R70 PolarHBondContact O-N 2.85Å; E68-R70 IonicContact OE1-NH2 2.76Å; E68-R70 IonicContact OE2-CZ 2.71Å; E68-R70 IonicContact OE2-NE 3.75Å; E68-R70 PolarHBondContact OE2-NE 3.33Å; E68-R70 IonicContact OE2-NH2 3.85Å; E68-R70 PolarHBondContact OE2-NH2 3.1Å | ||
| 69 | L | 65.4 | Low | 64.9 | Low | 167 Ų | 167 | 139.7 Ų | 139.7 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -68.3 | 73.2 | 163 | -69 | 165.9 | 0 | 0 | 0 | 108.7 | W67 C71 | W67-L69 PolarHBondContact O-N 3.11Å; L69-C71 PolarHBondContact O-N 3.35Å | ||
| 70 | R | 71 | Confident | 66.9 | Low | 192 Ų | 192 | 134.9 Ų | 134.9 | 73% | 0.725 | 72% | 0.722 | S | S | * | * | trans | -65.9 | 109.4 | 179.2 | -66.2 | -173 | 178.7 | -168.4 | -1 | 109.6 | E68 | E68-R70 HydrophobicContact CB-CG 4.24Å; E68-R70 PolarHBondContact O-N 2.85Å; E68-R70 IonicContact OE1-NH2 2.76Å; E68-R70 IonicContact OE2-CZ 2.71Å; E68-R70 IonicContact OE2-NE 3.75Å; E68-R70 PolarHBondContact OE2-NE 3.33Å; E68-R70 IonicContact OE2-NH2 3.85Å; E68-R70 PolarHBondContact OE2-NH2 3.1Å | ||
| 71 | C | 78.9 | Confident | 68.8 | Low | 105 Ų | 105 | 131.6 Ų | 131.6 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | trans | -82.7 | -14.8 | 175.1 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | L69 | L69-C71 PolarHBondContact O-N 3.35Š| ||
| 72 | H | 85.7 | Confident | 70.5 | Confident | 169 Ų | 169 | 134.8 Ų | 134.8 | 78% | 0.782 | 71% | 0.711 | S | S | * | * | trans | -96.9 | 135.5 | 178.8 | -60 | -60.3 | 0 | 0 | 0 | 111.2 | ||||
| 73 | R | 85.6 | Confident | 72.5 | Confident | 207 Ų | 207 | 129.6 Ų | 129.6 | 78% | 0.781 | 68% | 0.681 | S | S | * | * | trans | -123.7 | 147.6 | 177.1 | -61.5 | -177.9 | -176 | -171.5 | 0.8 | 109.1 | Q75 | R73-Q75 PolarHBondContact O-N 2.93Å; R73-Q75 VanDerWaalsContact O-N 3.12Å | ||
| 74 | L | 88.4 | Confident | 74.3 | Confident | 188 Ų | 188 | 128.7 Ų | 128.7 | 98% | 0.984 | 68% | 0.68 | S | S | * | * | trans | -66.3 | 109.4 | 166.8 | -178.8 | 66.5 | 0 | 0 | 0 | 107.5 | ||||
| 75 | Q | 87 | Confident | 75.9 | Confident | 156 Ų | 156 | 126.2 Ų | 126.2 | 73% | 0.729 | 65% | 0.653 | S | S | * | * | trans | -149.8 | 143.7 | -179 | 65.2 | -171 | -0 | 0 | 0 | 109 | R73 | R73-Q75 PolarHBondContact O-N 2.93Å; R73-Q75 VanDerWaalsContact O-N 3.12Å | ||
| 76 | D | 86.1 | Confident | 77.5 | Confident | 95 Ų | 95 | 129.2 Ų | 129.2 | 51% | 0.508 | 65% | 0.653 | S | S | . | * | trans | -75.5 | 152.5 | 174.3 | -69 | -55.5 | 0 | 0 | 0 | 111.5 | ||||
| 77 | S | 87 | Confident | 79.4 | Confident | 85 Ų | 85 | 126.6 Ų | 126.6 | 59% | 0.594 | 65% | 0.645 | S | S | * | * | trans | -63.9 | 143.4 | 169.8 | -67.1 | 0 | 0 | 0 | 0 | 110.1 | F79 S80 S83 | S77-F79 PolarHBondContact O-N 2.8Å; S77-S80 WeakPolarHBondContact O-CB 3.4Å; S77-S80 PolarHBondContact O-N 3.12Å; S77-S80 PolarHBondContact O-OG 3.45Å; S77-S83 WeakPolarHBondContact O-CB 3.35Å; S77-S83 PolarHBondContact O-OG 2.9Å | ||
| 78 | L | 83.1 | Confident | 81 | Confident | 100 Ų | 100 | 120.7 Ų | 120.7 | 52% | 0.524 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.4 | -28.1 | -172.9 | -83 | 72.9 | 0 | 0 | 0 | 114.4 | S83 F85 | L78-S83 WeakPolarHBondContact CA-OG 3.38Å; L78-F85 HydrophobicContact CB-CD1 4.37Å; L78-F85 HydrophobicContact CB-CG 4.33Å; L78-F85 HydrophobicContact CD2-CD1 4.42Å; L78-F85 HydrophobicContact CD2-CD2 4.05Å; L78-F85 HydrophobicContact CD2-CE1 4.34Å; L78-F85 HydrophobicContact CD2-CE2 3.95Å; L78-F85 HydrophobicContact CD2-CG 4.28Å; L78-F85 HydrophobicContact CD2-CZ 4.1Å; L78-F85 HydrophobicContact CG-CD2 4.36Å; L78-F85 HydrophobicContact CG-CG 4.33Å; L78-F85 WeakPolarHBondContact O-CB 3.24Å |
| 79 | F | 84.4 | Confident | 82 | Confident | 162 Ų | 162 | 123.1 Ų | 123.1 | 71% | 0.711 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -0.3 | 177.3 | -62.2 | -41.6 | 0 | 0 | 0 | 113.9 | S77 Y88 | S77-F79 PolarHBondContact O-N 2.8Å; F79-Y88 AromaticContact CD1-CE1 3.98Å; F79-Y88 HydrophobicContact CD1-CE1 3.98Å; F79-Y88 HydrophobicContact CE1-CD1 4.38Å; F79-Y88 AromaticContact CE1-CE1 3.73Å; F79-Y88 HydrophobicContact CE1-CE1 3.73Å |
| 80 | S | 84 | Confident | 82.9 | Confident | 48 Ų | 48 | 117.6 Ų | 117.6 | 34% | 0.336 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -65.1 | 138.8 | 170.2 | -65.1 | 0 | 0 | 0 | 0 | 109.4 | S77 D82 S83 | S77-S80 WeakPolarHBondContact O-CB 3.4Å; S77-S80 PolarHBondContact O-N 3.12Å; S77-S80 PolarHBondContact O-OG 3.45Å; S80-D82 PolarHBondContact O-N 3.41Å; S80-D82 VanDerWaalsContact O-N 3.12Å; S80-S83 VanDerWaalsContact O-CB 3.24Å; S80-S83 WeakPolarHBondContact O-CB 3.42Å; S80-S83 PolarHBondContact O-N 3.06Å |
| 81 | S | 79.6 | Confident | 83.6 | Confident | 83 Ų | 83 | 112.6 Ų | 112.6 | 58% | 0.58 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -55.1 | -32.5 | 179.8 | -60.7 | 0 | 0 | 0 | 0 | 112.9 | N454 | S81-N454 WeakPolarHBondContact CB-ND2 3.3Å; S81-N454 PolarHBondContact OG-ND2 3.09Å |
| 82 | D | 80.6 | Confident | 83.9 | Confident | 140 Ų | 140 | 112.5 Ų | 112.5 | 75% | 0.749 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -85 | -8.7 | -177 | -54 | -44.5 | 0 | 0 | 0 | 113.5 | S80 G84 | S80-D82 PolarHBondContact O-N 3.41Å; S80-D82 VanDerWaalsContact O-N 3.12Å; D82-G84 VanDerWaalsContact C-N 3.26Å; D82-G84 PolarHBondContact O-N 3.1Å |
| 83 | S | 82.1 | Confident | 83.9 | Confident | 39 Ų | 39 | 108.8 Ų | 108.8 | 27% | 0.273 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -68.5 | -23.2 | -178.9 | -177.9 | 0 | 0 | 0 | 0 | 113.4 | S77 L78 S80 F85 | S77-S83 WeakPolarHBondContact O-CB 3.35Å; S77-S83 PolarHBondContact O-OG 2.9Å; L78-S83 WeakPolarHBondContact CA-OG 3.38Å; S80-S83 VanDerWaalsContact O-CB 3.24Å; S80-S83 WeakPolarHBondContact O-CB 3.42Å; S80-S83 PolarHBondContact O-N 3.06Å; S83-F85 PolarHBondContact O-N 2.84Å; S83-F85 VanDerWaalsContact O-N 3.13Å |
| 84 | G | 79.9 | Confident | 84 | Confident | 64 Ų | 64 | 106.4 Ų | 106.4 | 66% | 0.66 | 57% | 0.565 | S | S | * | * | trans | 66.9 | 7.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D82 N86 | D82-G84 VanDerWaalsContact C-N 3.26Å; D82-G84 PolarHBondContact O-N 3.1Å; G84-N86 PolarHBondContact O-N 3.06Å | ||
| 85 | F | 84 | Confident | 83.9 | Confident | 73 Ų | 73 | 99.8 Ų | 99.8 | 32% | 0.32 | 53% | 0.534 | S | S | . | . | trans | -70.4 | 126.1 | -179.2 | -176.9 | -101 | 0 | 0 | 0 | 111.9 | L78 S83 N87 Y88 | L78-F85 HydrophobicContact CB-CD1 4.37Å; L78-F85 HydrophobicContact CB-CG 4.33Å; L78-F85 HydrophobicContact CD2-CD1 4.42Å; L78-F85 HydrophobicContact CD2-CD2 4.05Å; L78-F85 HydrophobicContact CD2-CE1 4.34Å; L78-F85 HydrophobicContact CD2-CE2 3.95Å; L78-F85 HydrophobicContact CD2-CG 4.28Å; L78-F85 HydrophobicContact CD2-CZ 4.1Å; L78-F85 HydrophobicContact CG-CD2 4.36Å; L78-F85 HydrophobicContact CG-CG 4.33Å; L78-F85 WeakPolarHBondContact O-CB 3.24Å; S83-F85 PolarHBondContact O-N 2.84Å; S83-F85 VanDerWaalsContact O-N 3.13Å; F85-N87 HydrophobicContact CE1-CB 4.42Å; F85-N87 WeakPolarHBondContact CE1-O 3.43Å; F85-N87 HydrophobicContact CE2-CB 3.96Å; F85-N87 HydrophobicContact CZ-CB 3.75Å; F85-N87 VanDerWaalsContact CZ-O 3.28Å; F85-N87 WeakPolarHBondContact CZ-O 3.49Å; F85-Y88 HydrophobicContact CD1-CE1 4.16Å; F85-Y88 AromaticContact CD1-CZ 3.99Å; F85-Y88 HydrophobicContact CE1-CD1 4.5Å; F85-Y88 HydrophobicContact CE1-CE1 4.28Å; F85-Y88 WeakPolarHBondContact O-CE2 3.46Å; F85-Y88 PolarHBondContact O-OH 2.97Å | ||
| 86 | N | 78.6 | Confident | 83.7 | Confident | 131 Ų | 131 | 95.1 Ų | 95.1 | 70% | 0.701 | 52% | 0.517 | S | S | * | . | trans | -124.9 | 0.8 | -173 | 62.4 | 7.8 | 0 | 0 | 0 | 114.6 | G84 Y88 | G84-N86 PolarHBondContact O-N 3.06Å; N86-Y88 WeakPolarHBondContact O-CD2 3.46Å; N86-Y88 PolarHBondContact O-N 3.11Å | ||
| 87 | N | 83.4 | Confident | 83.6 | Confident | 104 Ų | 104 | 94.2 Ų | 94.2 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | trans | -92.5 | 80.4 | -173.5 | -171.7 | 4.6 | 0 | 0 | 0 | 112.9 | F85 | F85-N87 HydrophobicContact CE1-CB 4.42Å; F85-N87 WeakPolarHBondContact CE1-O 3.43Å; F85-N87 HydrophobicContact CE2-CB 3.96Å; F85-N87 HydrophobicContact CZ-CB 3.75Å; F85-N87 VanDerWaalsContact CZ-O 3.28Å; F85-N87 WeakPolarHBondContact CZ-O 3.49Å | ||
| 88 | Y | 85.3 | Confident | 83.6 | Confident | 94 Ų | 94 | 94.4 Ų | 94.4 | 37% | 0.369 | 51% | 0.507 | S | S | . | . | trans | -97.7 | 20.5 | -179 | -58.6 | -80.9 | 0 | 0 | 0 | 114.4 | F79 F85 N86 G90 I91 L92 | F79-Y88 AromaticContact CD1-CE1 3.98Å; F79-Y88 HydrophobicContact CD1-CE1 3.98Å; F79-Y88 HydrophobicContact CE1-CD1 4.38Å; F79-Y88 AromaticContact CE1-CE1 3.73Å; F79-Y88 HydrophobicContact CE1-CE1 3.73Å; F85-Y88 HydrophobicContact CD1-CE1 4.16Å; F85-Y88 AromaticContact CD1-CZ 3.99Å; F85-Y88 HydrophobicContact CE1-CD1 4.5Å; F85-Y88 HydrophobicContact CE1-CE1 4.28Å; F85-Y88 WeakPolarHBondContact O-CE2 3.46Å; F85-Y88 PolarHBondContact O-OH 2.97Å; N86-Y88 WeakPolarHBondContact O-CD2 3.46Å; N86-Y88 PolarHBondContact O-N 3.11Å; Y88-G90 PolarHBondContact O-N 3.25Å; Y88-G90 VanDerWaalsContact O-N 3.13Å; Y88-I91 HydrophobicContact CD1-CD1 3.71Å; Y88-I91 HydrophobicContact CG-CD1 4.45Å; Y88-I91 WeakPolarHBondContact O-CB 3.48Å; Y88-I91 PolarHBondContact O-N 3.37Å; Y88-L92 PolarHBondContact O-N 3.23Å | ||
| 89 | R | 82.9 | Confident | 83.6 | Confident | 184 Ų | 184 | 92.3 Ų | 92.3 | 69% | 0.694 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.1 | -32 | -176.1 | -171.8 | 172.3 | -176.2 | 161.5 | -0.2 | 113.2 | I91 L92 N93 | R89-I91 VanDerWaalsContact C-N 3.35Å; R89-L92 PolarHBondContact O-N 3.32Å; R89-N93 PolarHBondContact O-N 3.3Å; R89-N93 VanDerWaalsContact O-N 3.1Å |
| 90 | G | 82.9 | Confident | 83.3 | Confident | 51 Ų | 51 | 88.5 Ų | 88.5 | 53% | 0.526 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y88 N93 W94 | Y88-G90 PolarHBondContact O-N 3.25Å; Y88-G90 VanDerWaalsContact O-N 3.13Å; G90-N93 PolarHBondContact O-N 3Å; G90-W94 PolarHBondContact O-N 2.89Å |
| 91 | I | 86 | Confident | 83.3 | Confident | 86 Ų | 86 | 92.2 Ų | 92.2 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 177.4 | -59.4 | -175.8 | 0 | 0 | 0 | 110.2 | Y88 R89 N93 W94 C95 | Y88-I91 HydrophobicContact CD1-CD1 3.71Å; Y88-I91 HydrophobicContact CG-CD1 4.45Å; Y88-I91 WeakPolarHBondContact O-CB 3.48Å; Y88-I91 PolarHBondContact O-N 3.37Å; R89-I91 VanDerWaalsContact C-N 3.35Å; I91-N93 VanDerWaalsContact C-N 3.33Å; I91-N93 PolarHBondContact O-N 3.41Å; I91-W94 WeakPolarHBondContact O-CB 3.44Å; I91-W94 PolarHBondContact O-N 2.91Å; I91-C95 PolarHBondContact O-N 3.38Å; I91-C95 PolarHBondContact O-SG 2.98Å; I91-C95 VanDerWaalsContact O-SG 3.32Å |
| 92 | L | 84.9 | Confident | 83.4 | Confident | 104 Ų | 104 | 92 Ų | 92 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 175.8 | -176.5 | 64.9 | 0 | 0 | 0 | 111.6 | Y88 R89 W94 C95 V96 | Y88-L92 PolarHBondContact O-N 3.23Å; R89-L92 PolarHBondContact O-N 3.32Å; L92-W94 VanDerWaalsContact C-N 3.33Å; L92-W94 PolarHBondContact O-N 2.7Å; L92-C95 PolarHBondContact O-N 3.34Å; L92-V96 WeakPolarHBondContact O-CG2 3.34Å; L92-V96 PolarHBondContact O-N 2.87Å; L92-V96 VanDerWaalsContact O-N 3.07Å |
| 93 | N | 85.7 | Confident | 83.3 | Confident | 90 Ų | 90 | 87.3 Ų | 87.3 | 48% | 0.481 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 175.7 | -66 | -18.1 | 0 | 0 | 0 | 111.3 | R89 G90 I91 V96 V97 | R89-N93 PolarHBondContact O-N 3.3Å; R89-N93 VanDerWaalsContact O-N 3.1Å; G90-N93 PolarHBondContact O-N 3Å; I91-N93 VanDerWaalsContact C-N 3.33Å; I91-N93 PolarHBondContact O-N 3.41Å; N93-V96 PolarHBondContact O-N 3.39Å; N93-V97 WeakPolarHBondContact O-CG2 3.32Å; N93-V97 PolarHBondContact O-N 3.28Å |
| 94 | W | 88.6 | Confident | 83 | Confident | 157 Ų | 157 | 86.8 Ų | 86.8 | 60% | 0.595 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.7 | -44.8 | 176 | 177.4 | 83.5 | 0 | 0 | 0 | 111.8 | G90 I91 L92 V96 V97 M98 | G90-W94 PolarHBondContact O-N 2.89Å; I91-W94 WeakPolarHBondContact O-CB 3.44Å; I91-W94 PolarHBondContact O-N 2.91Å; L92-W94 VanDerWaalsContact C-N 3.33Å; L92-W94 PolarHBondContact O-N 2.7Å; W94-V96 VanDerWaalsContact C-N 3.31Å; W94-V96 PolarHBondContact O-N 3.24Å; W94-V97 PolarHBondContact O-N 3.47Å; W94-M98 HydrophobicContact CD2-CG 3.98Å; W94-M98 HydrophobicContact CE3-CG 4.47Å; W94-M98 HydrophobicContact CG-CG 4.45Å; W94-M98 HydrophobicContact CH2-CG 4.25Å; W94-M98 HydrophobicContact CZ2-CG 3.72Å; W94-M98 HydrophobicContact CZ2-SD 4.34Å; W94-M98 WeakPolarHBondContact O-CG 3.48Å; W94-M98 PolarHBondContact O-N 3.01Å |
| 95 | C | 85.9 | Confident | 82.9 | Confident | 49 Ų | 49 | 92.6 Ų | 92.6 | 33% | 0.331 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.3 | -44 | 174.3 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | I91 L92 M98 L99 | I91-C95 PolarHBondContact O-N 3.38Å; I91-C95 PolarHBondContact O-SG 2.98Å; I91-C95 VanDerWaalsContact O-SG 3.32Å; L92-C95 PolarHBondContact O-N 3.34Å; C95-M98 PolarHBondContact O-N 2.81Å; C95-L99 WeakPolarHBondContact O-CB 3.46Å; C95-L99 VanDerWaalsContact O-CG 3.27Å; C95-L99 WeakPolarHBondContact O-CG 3.3Å; C95-L99 PolarHBondContact O-N 3.26Å |
| 96 | V | 82.7 | Confident | 82.5 | Confident | 59 Ų | 59 | 92 Ų | 92 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 111 | L92 N93 W94 L99 I100 | L92-V96 WeakPolarHBondContact O-CG2 3.34Å; L92-V96 PolarHBondContact O-N 2.87Å; L92-V96 VanDerWaalsContact O-N 3.07Å; N93-V96 PolarHBondContact O-N 3.39Å; W94-V96 VanDerWaalsContact C-N 3.31Å; W94-V96 PolarHBondContact O-N 3.24Å; V96-L99 PolarHBondContact O-N 2.89Å; V96-I100 HydrophobicContact CG1-CD1 3.74Å; V96-I100 HydrophobicContact CG1-CG1 4.48Å; V96-I100 VanDerWaalsContact O-CG1 3.27Å; V96-I100 WeakPolarHBondContact O-CG1 3.46Å; V96-I100 PolarHBondContact O-N 3.45Å |
| 97 | V | 84.9 | Confident | 82.1 | Confident | 76 Ų | 76 | 88 Ų | 88 | 46% | 0.461 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 178.4 | 171 | 0 | 0 | 0 | 0 | 110.9 | N93 W94 L99 I100 L101 | N93-V97 WeakPolarHBondContact O-CG2 3.32Å; N93-V97 PolarHBondContact O-N 3.28Å; W94-V97 PolarHBondContact O-N 3.47Å; V97-L99 PolarHBondContact O-N 2.89Å; V97-I100 PolarHBondContact O-N 3.37Å; V97-L101 HydrophobicContact CG1-CD1 3.76Å; V97-L101 HydrophobicContact CG1-CG 4.25Å; V97-L101 WeakPolarHBondContact O-CB 3.31Å; V97-L101 WeakPolarHBondContact O-CG 3.43Å; V97-L101 PolarHBondContact O-N 3.44Å |
| 98 | M | 85.2 | Confident | 81.7 | Confident | 88 Ų | 88 | 87.5 Ų | 87.5 | 43% | 0.433 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 179 | -70.8 | -57.7 | -64.8 | 0 | 0 | 112.2 | W94 C95 L101 S102 | W94-M98 HydrophobicContact CD2-CG 3.98Å; W94-M98 HydrophobicContact CE3-CG 4.47Å; W94-M98 HydrophobicContact CG-CG 4.45Å; W94-M98 HydrophobicContact CH2-CG 4.25Å; W94-M98 HydrophobicContact CZ2-CG 3.72Å; W94-M98 HydrophobicContact CZ2-SD 4.34Å; W94-M98 WeakPolarHBondContact O-CG 3.48Å; W94-M98 PolarHBondContact O-N 3.01Å; C95-M98 PolarHBondContact O-N 2.81Å; M98-L101 PolarHBondContact O-N 3.5Å; M98-S102 WeakPolarHBondContact O-CB 3.12Å; M98-S102 PolarHBondContact O-N 2.97Å; M98-S102 PolarHBondContact O-OG 3.38Å |
| 99 | L | 83.1 | Confident | 81.4 | Confident | 57 Ų | 57 | 85.7 Ų | 85.7 | 30% | 0.298 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 176 | -79.4 | 169.7 | 0 | 0 | 0 | 111.9 | C95 V96 V97 S102 N103 F290 L294 | C95-L99 WeakPolarHBondContact O-CB 3.46Å; C95-L99 VanDerWaalsContact O-CG 3.27Å; C95-L99 WeakPolarHBondContact O-CG 3.3Å; C95-L99 PolarHBondContact O-N 3.26Å; V96-L99 PolarHBondContact O-N 2.89Å; V97-L99 PolarHBondContact O-N 2.89Å; L99-S102 PolarHBondContact O-OG 3.2Å; L99-N103 WeakPolarHBondContact O-CB 3.31Å; L99-N103 PolarHBondContact O-N 2.91Å; L99-N103 PolarHBondContact O-ND2 2.93Å; L99-F290 HydrophobicContact CB-CZ 4.44Å; L99-L294 HydrophobicContact CD2-CD2 3.96Å |
| 100 | I | 79.6 | Confident | 81 | Confident | 81 Ų | 81 | 79 Ų | 79 | 42% | 0.415 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.6 | -51.1 | 176.5 | -68.4 | 168.2 | 0 | 0 | 0 | 109.7 | V96 V97 S102 N103 A104 F290 | V96-I100 HydrophobicContact CG1-CD1 3.74Å; V96-I100 HydrophobicContact CG1-CG1 4.48Å; V96-I100 VanDerWaalsContact O-CG1 3.27Å; V96-I100 WeakPolarHBondContact O-CG1 3.46Å; V96-I100 PolarHBondContact O-N 3.45Å; V97-I100 PolarHBondContact O-N 3.37Å; I100-S102 VanDerWaalsContact C-N 3.34Å; I100-S102 PolarHBondContact O-N 3.34Å; I100-N103 PolarHBondContact O-N 3.29Å; I100-A104 HydrophobicContact CG2-CB 4.2Å; I100-A104 WeakPolarHBondContact O-CA 3.48Å; I100-A104 WeakPolarHBondContact O-CB 3.3Å; I100-A104 PolarHBondContact O-N 3.48Å; I100-F290 HydrophobicContact CG1-CZ 4.4Å |
| 101 | L | 83.8 | Confident | 80.4 | Confident | 126 Ų | 126 | 80.5 Ų | 80.5 | 66% | 0.66 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.8 | -39.2 | -176.2 | -70.3 | 176.3 | 0 | 0 | 0 | 113 | V97 M98 | V97-L101 HydrophobicContact CG1-CD1 3.76Å; V97-L101 HydrophobicContact CG1-CG 4.25Å; V97-L101 WeakPolarHBondContact O-CB 3.31Å; V97-L101 WeakPolarHBondContact O-CG 3.43Å; V97-L101 PolarHBondContact O-N 3.44Å; M98-L101 PolarHBondContact O-N 3.5Å |
| 102 | S | 81.1 | Confident | 79.9 | Confident | 80 Ų | 80 | 83 Ų | 83 | 56% | 0.559 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70.9 | -33.1 | 179 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | M98 L99 I100 | M98-S102 WeakPolarHBondContact O-CB 3.12Å; M98-S102 PolarHBondContact O-N 2.97Å; M98-S102 PolarHBondContact O-OG 3.38Å; L99-S102 PolarHBondContact O-OG 3.2Å; I100-S102 VanDerWaalsContact C-N 3.34Å; I100-S102 PolarHBondContact O-N 3.34Å |
| 103 | N | 78.9 | Confident | 79.3 | Confident | 40 Ų | 40 | 84.6 Ų | 84.6 | 21% | 0.214 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -113.2 | -10.4 | -171.9 | -61.2 | -78.6 | 0 | 0 | 0 | 114.4 | L99 I100 R105 L106 F107 F290 L294 | L99-N103 WeakPolarHBondContact O-CB 3.31Å; L99-N103 PolarHBondContact O-N 2.91Å; L99-N103 PolarHBondContact O-ND2 2.93Å; I100-N103 PolarHBondContact O-N 3.29Å; N103-R105 VanDerWaalsContact C-N 3.28Å; N103-R105 PolarHBondContact O-N 2.86Å; N103-L106 PolarHBondContact O-N 3.04Å; N103-L106 VanDerWaalsContact O-N 3.16Å; N103-F107 WeakPolarHBondContact O-CB 3.35Å; N103-F107 PolarHBondContact O-N 2.97Å; N103-F290 HydrophobicContact CB-CE2 4.29Å; N103-F290 HydrophobicContact CB-CZ 4.41Å; N103-L294 HydrophobicContact CB-CD1 4.27Å |
| 104 | A | 76.3 | Confident | 78.2 | Confident | 28 Ų | 28 | 86.7 Ų | 86.7 | 23% | 0.231 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I100 F107 L108 | I100-A104 HydrophobicContact CG2-CB 4.2Å; I100-A104 WeakPolarHBondContact O-CA 3.48Å; I100-A104 WeakPolarHBondContact O-CB 3.3Å; I100-A104 PolarHBondContact O-N 3.48Å; A104-F107 PolarHBondContact O-N 2.89Å; A104-L108 VanDerWaalsContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CB 3.24Å; A104-L108 WeakPolarHBondContact O-CG 3.31Å; A104-L108 PolarHBondContact O-N 3.43Å |
| 105 | R | 78.1 | Confident | 77 | Confident | 187 Ų | 187 | 81 Ų | 81 | 71% | 0.706 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.9 | -50.9 | 175.6 | -179.1 | -180 | 170.6 | 175.1 | -0.2 | 111.2 | N103 F107 L108 E109 | N103-R105 VanDerWaalsContact C-N 3.28Å; N103-R105 PolarHBondContact O-N 2.86Å; R105-F107 PolarHBondContact O-N 3.44Å; R105-L108 PolarHBondContact O-N 3.37Å; R105-E109 HydrophobicContact CG-CG 4.42Å; R105-E109 IonicContact CZ-OE1 2.79Å; R105-E109 IonicContact NE-OE1 2.61Å; R105-E109 PolarHBondContact NE-OE1 2.87Å; R105-E109 IonicContact NH2-OE1 3.99Å; R105-E109 PolarHBondContact NH2-OE1 2.98Å; R105-E109 WeakPolarHBondContact O-CB 3.34Å; R105-E109 WeakPolarHBondContact O-CG 3.43Å; R105-E109 PolarHBondContact O-N 3.14Å |
| 106 | L | 74.6 | Confident | 75.9 | Confident | 59 Ų | 59 | 85.4 Ų | 85.4 | 31% | 0.309 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | -179.9 | -178.4 | 64.8 | 0 | 0 | 0 | 111.7 | N103 E109 N110 | N103-L106 PolarHBondContact O-N 3.04Å; N103-L106 VanDerWaalsContact O-N 3.16Å; L106-E109 PolarHBondContact O-N 3.28Å; L106-N110 WeakPolarHBondContact O-CB 3.49Å; L106-N110 PolarHBondContact O-N 2.92Å |
| 107 | F | 69.8 | Low | 74.6 | Confident | 49 Ų | 49 | 88.9 Ų | 88.9 | 22% | 0.215 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.1 | -47 | 177.1 | 176.6 | -99.2 | 0 | 0 | 0 | 111.8 | N103 A104 R105 N110 L111 F290 Q293 | N103-F107 WeakPolarHBondContact O-CB 3.35Å; N103-F107 PolarHBondContact O-N 2.97Å; A104-F107 PolarHBondContact O-N 2.89Å; R105-F107 PolarHBondContact O-N 3.44Å; F107-N110 PolarHBondContact O-N 2.94Å; F107-L111 HydrophobicContact CE1-CD2 4.4Å; F107-L111 WeakPolarHBondContact O-CB 3.46Å; F107-L111 PolarHBondContact O-N 3.44Å; F107-F290 HydrophobicContact CD2-CD2 4.5Å; F107-F290 HydrophobicContact CG-CD2 4.49Å; F107-Q293 HydrophobicContact CD2-CB 3.86Å; F107-Q293 HydrophobicContact CD2-CG 3.89Å; F107-Q293 HydrophobicContact CE2-CB 4.2Å; F107-Q293 HydrophobicContact CE2-CG 3.87Å |
| 108 | L | 76.3 | Confident | 73.4 | Confident | 92 Ų | 92 | 89.6 Ų | 89.6 | 48% | 0.482 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 177.2 | -71.6 | 171.3 | 0 | 0 | 0 | 111.4 | A104 R105 N110 L111 I112 | A104-L108 VanDerWaalsContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CB 3.24Å; A104-L108 WeakPolarHBondContact O-CG 3.31Å; A104-L108 PolarHBondContact O-N 3.43Å; R105-L108 PolarHBondContact O-N 3.37Å; L108-N110 VanDerWaalsContact C-N 3.33Å; L108-N110 PolarHBondContact O-N 3.31Å; L108-L111 PolarHBondContact O-N 3.29Å; L108-I112 WeakPolarHBondContact O-CB 3.38Å; L108-I112 WeakPolarHBondContact O-CD1 3.35Å; L108-I112 WeakPolarHBondContact O-CG1 3.49Å; L108-I112 PolarHBondContact O-N 2.98Å |
| 109 | E | 78.3 | Confident | 72.5 | Confident | 57 Ų | 57 | 89 Ų | 89 | 27% | 0.266 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 175.4 | -80.2 | -169.9 | -152.2 | 0 | 0 | 111.5 | R105 L106 I112 K113 | R105-E109 HydrophobicContact CG-CG 4.42Å; R105-E109 IonicContact CZ-OE1 2.79Å; R105-E109 IonicContact NE-OE1 2.61Å; R105-E109 PolarHBondContact NE-OE1 2.87Å; R105-E109 IonicContact NH2-OE1 3.99Å; R105-E109 PolarHBondContact NH2-OE1 2.98Å; R105-E109 WeakPolarHBondContact O-CB 3.34Å; R105-E109 WeakPolarHBondContact O-CG 3.43Å; R105-E109 PolarHBondContact O-N 3.14Å; L106-E109 PolarHBondContact O-N 3.28Å; E109-I112 PolarHBondContact O-N 3Å; E109-K113 WeakPolarHBondContact O-CB 3.24Å; E109-K113 VanDerWaalsContact O-CG 3.28Å; E109-K113 WeakPolarHBondContact O-CG 3.33Å; E109-K113 PolarHBondContact O-N 3.28Å; E109-K113 IonicContact OE2-NZ 3.57Å; E109-K113 PolarHBondContact OE2-NZ 3.42Å |
| 110 | N | 73.8 | Confident | 71.9 | Confident | 43 Ų | 43 | 90.3 Ų | 90.3 | 23% | 0.23 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 175.5 | -78 | -8.4 | 0 | 0 | 0 | 111.2 | L106 F107 L108 I112 Y114 | L106-N110 WeakPolarHBondContact O-CB 3.49Å; L106-N110 PolarHBondContact O-N 2.92Å; F107-N110 PolarHBondContact O-N 2.94Å; L108-N110 VanDerWaalsContact C-N 3.33Å; L108-N110 PolarHBondContact O-N 3.31Å; N110-I112 VanDerWaalsContact C-N 3.3Å; N110-I112 PolarHBondContact O-N 3.29Å; N110-Y114 HydrophobicContact CB-CD2 4.1Å; N110-Y114 VanDerWaalsContact O-CB 3.22Å; N110-Y114 WeakPolarHBondContact O-CB 3.35Å; N110-Y114 WeakPolarHBondContact O-CD2 3.22Å; N110-Y114 PolarHBondContact O-N 2.91Å; N110-Y114 WeakPolarHBondContact OD1-CE2 3.43Å |
| 111 | L | 71.3 | Confident | 71.7 | Confident | 83 Ų | 83 | 93 Ų | 93 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -33.9 | 178.6 | -170.9 | 65.4 | 0 | 0 | 0 | 112.4 | F107 L108 G115 | F107-L111 HydrophobicContact CE1-CD2 4.4Å; F107-L111 WeakPolarHBondContact O-CB 3.46Å; F107-L111 PolarHBondContact O-N 3.44Å; L108-L111 PolarHBondContact O-N 3.29Å; L111-G115 WeakPolarHBondContact O-CA 3.49Å; L111-G115 PolarHBondContact O-N 3.37Å |
| 112 | I | 75.9 | Confident | 71.2 | Confident | 137 Ų | 137 | 93.1 Ų | 93.1 | 70% | 0.703 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -79.6 | -48.7 | 178.5 | -67.4 | 165.5 | 0 | 0 | 0 | 111.2 | L108 E109 N110 | L108-I112 WeakPolarHBondContact O-CB 3.38Å; L108-I112 WeakPolarHBondContact O-CD1 3.35Å; L108-I112 WeakPolarHBondContact O-CG1 3.49Å; L108-I112 PolarHBondContact O-N 2.98Å; E109-I112 PolarHBondContact O-N 3Å; N110-I112 VanDerWaalsContact C-N 3.3Å; N110-I112 PolarHBondContact O-N 3.29Å |
| 113 | K | 71.9 | Confident | 71 | Confident | 138 Ų | 138 | 93 Ų | 93 | 60% | 0.6 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.7 | -45.1 | -177 | -76.4 | 172.2 | 172.9 | 162.8 | 0 | 111.9 | E109 | E109-K113 WeakPolarHBondContact O-CB 3.24Å; E109-K113 VanDerWaalsContact O-CG 3.28Å; E109-K113 WeakPolarHBondContact O-CG 3.33Å; E109-K113 PolarHBondContact O-N 3.28Å; E109-K113 IonicContact OE2-NZ 3.57Å; E109-K113 PolarHBondContact OE2-NZ 3.42Å |
| 114 | Y | 63.3 | Low | 70.8 | Confident | 135 Ų | 135 | 95.1 Ų | 95.1 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -18.5 | -174.7 | -60.5 | -60.2 | 0 | 0 | 0 | 111.9 | N110 L117 | N110-Y114 HydrophobicContact CB-CD2 4.1Å; N110-Y114 VanDerWaalsContact O-CB 3.22Å; N110-Y114 WeakPolarHBondContact O-CB 3.35Å; N110-Y114 WeakPolarHBondContact O-CD2 3.22Å; N110-Y114 PolarHBondContact O-N 2.91Å; N110-Y114 WeakPolarHBondContact OD1-CE2 3.43Å; Y114-L117 HydrophobicContact CD1-CD1 4.08Å; Y114-L117 HydrophobicContact CG-CD1 4.02Å; Y114-L117 WeakPolarHBondContact O-CD2 3.43Å; Y114-L117 WeakPolarHBondContact O-CG 3.42Å |
| 115 | G | 63.3 | Low | 70.8 | Confident | 36 Ų | 36 | 97.3 Ų | 97.3 | 37% | 0.371 | 50% | 0.504 | S | S | . | . | trans | 62.2 | -161.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L111 L117 | L111-G115 WeakPolarHBondContact O-CA 3.49Å; L111-G115 PolarHBondContact O-N 3.37Å; G115-L117 VanDerWaalsContact C-N 3.34Å; G115-L117 PolarHBondContact O-N 3.3Å | ||
| 116 | I | 61.3 | Low | 70.8 | Confident | 142 Ų | 142 | 92.7 Ų | 92.7 | 73% | 0.728 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -82.3 | 88.6 | 161.2 | -57.3 | 175.7 | 0 | 0 | 0 | 106.2 | V118 | I116-V118 WeakPolarHBondContact CG2-O 3.36Å; I116-V118 PolarHBondContact O-N 2.91Å; I116-V118 VanDerWaalsContact O-N 3.11Å |
| 117 | L | 55.9 | Low | 71 | Confident | 133 Ų | 133 | 91.7 Ų | 91.7 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | trans | -61 | -16.3 | 179 | -73.1 | 172.1 | 0 | 0 | 0 | 114.1 | Y114 G115 | Y114-L117 HydrophobicContact CD1-CD1 4.08Å; Y114-L117 HydrophobicContact CG-CD1 4.02Å; Y114-L117 WeakPolarHBondContact O-CD2 3.43Å; Y114-L117 WeakPolarHBondContact O-CG 3.42Å; G115-L117 VanDerWaalsContact C-N 3.34Å; G115-L117 PolarHBondContact O-N 3.3Å | ||
| 118 | V | 59.2 | Low | 71.5 | Confident | 90 Ų | 90 | 95.5 Ų | 95.5 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | trans | -94.2 | 104.9 | -179.1 | -173.7 | 0 | 0 | 0 | 0 | 107.4 | I116 P120 V123 | I116-V118 WeakPolarHBondContact CG2-O 3.36Å; I116-V118 PolarHBondContact O-N 2.91Å; I116-V118 VanDerWaalsContact O-N 3.11Å; V118-P120 WeakPolarHBondContact O-CD 3.27Å; V118-V123 HydrophobicContact CG1-CG2 4.18Å | ||
| 119 | D | 66.6 | Low | 72 | Confident | 76 Ų | 76 | 99.7 Ų | 99.7 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | trans | -75.6 | 104 | 164.2 | -177.6 | -16.1 | 0 | 0 | 0 | 108.3 | I121 Q122 V123 | D119-I121 PolarHBondContact O-N 3.23Å; D119-I121 WeakPolarHBondContact OD1-CB 3.35Å; D119-I121 PolarHBondContact OD1-N 2.9Å; D119-Q122 HydrophobicContact CB-CB 3.74Å; D119-Q122 VanDerWaalsContact CG-CB 3.49Å; D119-Q122 PolarHBondContact O-N 2.97Å; D119-Q122 PolarHBondContact OD1-N 3.39Å; D119-V123 WeakPolarHBondContact O-CG2 3.4Å; D119-V123 PolarHBondContact O-N 3.13Å | ||
| 120 | P | 70.6 | Confident | 72.2 | Confident | 84 Ų | 84 | 100.5 Ų | 100.5 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.3 | -28.6 | -175.2 | -15.3 | 32.8 | 0 | 0 | 0 | 111.4 | V118 V124 | V118-P120 WeakPolarHBondContact O-CD 3.27Å; P120-V124 VanDerWaalsContact O-CG2 3.28Å; P120-V124 WeakPolarHBondContact O-CG2 3.4Å; P120-V124 PolarHBondContact O-N 3.21Å; P120-V124 VanDerWaalsContact O-N 3.14Å |
| 121 | I | 75.3 | Confident | 72.5 | Confident | 139 Ų | 139 | 100.5 Ų | 100.5 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -74.2 | -43.6 | -179.3 | -59.5 | 175.9 | 0 | 0 | 0 | 108.9 | D119 V124 S125 | D119-I121 PolarHBondContact O-N 3.23Å; D119-I121 WeakPolarHBondContact OD1-CB 3.35Å; D119-I121 PolarHBondContact OD1-N 2.9Å; I121-V124 PolarHBondContact O-N 3.44Å; I121-S125 WeakPolarHBondContact O-CB 3.27Å; I121-S125 PolarHBondContact O-N 3.39Å |
| 122 | Q | 73.9 | Confident | 73.2 | Confident | 128 Ų | 128 | 106.2 Ų | 106.2 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | 175.5 | -167.5 | -178.2 | 18.5 | 0 | 0 | 112.1 | D119 V124 S125 L126 | D119-Q122 HydrophobicContact CB-CB 3.74Å; D119-Q122 VanDerWaalsContact CG-CB 3.49Å; D119-Q122 PolarHBondContact O-N 2.97Å; D119-Q122 PolarHBondContact OD1-N 3.39Å; Q122-V124 PolarHBondContact O-N 2.85Å; Q122-S125 PolarHBondContact O-N 3.42Å; Q122-L126 WeakPolarHBondContact O-CB 3.43Å; Q122-L126 PolarHBondContact O-N 3.47Å |
| 123 | V | 76.5 | Confident | 73.5 | Confident | 78 Ų | 78 | 102.2 Ų | 102.2 | 47% | 0.473 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | V118 D119 L126 F127 | V118-V123 HydrophobicContact CG1-CG2 4.18Å; D119-V123 WeakPolarHBondContact O-CG2 3.4Å; D119-V123 PolarHBondContact O-N 3.13Å; V123-L126 PolarHBondContact O-N 3.25Å; V123-F127 WeakPolarHBondContact O-CB 3.28Å; V123-F127 PolarHBondContact O-N 3.01Å |
| 124 | V | 75.6 | Confident | 74.2 | Confident | 84 Ų | 84 | 101.5 Ų | 101.5 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | P120 I121 Q122 L126 F127 L128 | P120-V124 VanDerWaalsContact O-CG2 3.28Å; P120-V124 WeakPolarHBondContact O-CG2 3.4Å; P120-V124 PolarHBondContact O-N 3.21Å; P120-V124 VanDerWaalsContact O-N 3.14Å; I121-V124 PolarHBondContact O-N 3.44Å; Q122-V124 PolarHBondContact O-N 2.85Å; V124-L126 VanDerWaalsContact C-N 3.35Å; V124-L126 PolarHBondContact O-N 3.45Å; V124-F127 PolarHBondContact O-N 2.67Å; V124-L128 HydrophobicContact CG1-CD1 4.09Å; V124-L128 HydrophobicContact CG1-CG 4.43Å; V124-L128 WeakPolarHBondContact O-CG 3.45Å; V124-L128 PolarHBondContact O-N 2.68Å |
| 125 | S | 75 | Confident | 75.5 | Confident | 74 Ų | 74 | 95.8 Ų | 95.8 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 112.6 | I121 Q122 L128 K129 | I121-S125 WeakPolarHBondContact O-CB 3.27Å; I121-S125 PolarHBondContact O-N 3.39Å; Q122-S125 PolarHBondContact O-N 3.42Å; S125-L128 PolarHBondContact O-N 3.01Å; S125-K129 WeakPolarHBondContact O-CB 3.41Å; S125-K129 PolarHBondContact O-N 2.87Å |
| 126 | L | 78.4 | Confident | 76.8 | Confident | 90 Ų | 90 | 94.7 Ų | 94.7 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 176.9 | -166.1 | 92.3 | 0 | 0 | 0 | 110.4 | Q122 V123 V124 L128 K129 D130 W134 | Q122-L126 WeakPolarHBondContact O-CB 3.43Å; Q122-L126 PolarHBondContact O-N 3.47Å; V123-L126 PolarHBondContact O-N 3.25Å; V124-L126 VanDerWaalsContact C-N 3.35Å; V124-L126 PolarHBondContact O-N 3.45Å; L126-L128 PolarHBondContact O-N 3.34Å; L126-K129 PolarHBondContact O-N 3Å; L126-D130 PolarHBondContact O-N 3.34Å; L126-W134 HydrophobicContact CD2-CZ2 3.77Å |
| 127 | F | 79.2 | Confident | 78.2 | Confident | 38 Ų | 38 | 90.3 Ų | 90.3 | 17% | 0.167 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61 | -42.3 | 175.2 | 176 | -106.9 | 0 | 0 | 0 | 112.4 | V123 V124 K129 D130 P131 W134 P137 I141 | V123-F127 WeakPolarHBondContact O-CB 3.28Å; V123-F127 PolarHBondContact O-N 3.01Å; V124-F127 PolarHBondContact O-N 2.67Å; F127-K129 VanDerWaalsContact C-N 3.31Å; F127-K129 PolarHBondContact O-N 2.88Å; F127-D130 CarbonylContact O-C 3.52Å; F127-D130 VanDerWaalsContact O-C 3.31Å; F127-P131 HydrophobicContact CE2-CB 4.28Å; F127-P131 HydrophobicContact CZ-CB 4.35Å; F127-P131 VanDerWaalsContact O-CA 3.3Å; F127-P131 WeakPolarHBondContact O-CA 3.49Å; F127-P131 VanDerWaalsContact O-N 3.15Å; F127-W134 HydrophobicContact CD2-CB 3.77Å; F127-W134 HydrophobicContact CD2-CG 4.29Å; F127-W134 HydrophobicContact CE2-CB 4.06Å; F127-P137 HydrophobicContact CD2-CB 4.16Å; F127-P137 HydrophobicContact CD2-CG 4.42Å; F127-P137 HydrophobicContact CE2-CB 3.62Å; F127-P137 HydrophobicContact CE2-CG 4.25Å; F127-P137 HydrophobicContact CZ-CB 3.94Å; F127-I141 HydrophobicContact CE1-CD1 3.86Å; F127-I141 HydrophobicContact CZ-CD1 3.81Å |
| 128 | L | 81.1 | Confident | 80 | Confident | 128 Ų | 128 | 86 Ų | 86 | 67% | 0.67 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.9 | -27 | 177.3 | -69.6 | 175.7 | 0 | 0 | 0 | 113 | V124 S125 L126 | V124-L128 HydrophobicContact CG1-CD1 4.09Å; V124-L128 HydrophobicContact CG1-CG 4.43Å; V124-L128 WeakPolarHBondContact O-CG 3.45Å; V124-L128 PolarHBondContact O-N 2.68Å; S125-L128 PolarHBondContact O-N 3.01Å; L126-L128 PolarHBondContact O-N 3.34Å |
| 129 | K | 85.3 | Confident | 81.7 | Confident | 181 Ų | 181 | 82 Ų | 82 | 79% | 0.787 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -71.7 | -39.7 | 178.2 | -173.2 | 177.6 | 179.9 | -178.3 | 0 | 111.9 | S125 L126 F127 | S125-K129 WeakPolarHBondContact O-CB 3.41Å; S125-K129 PolarHBondContact O-N 2.87Å; L126-K129 PolarHBondContact O-N 3Å; F127-K129 VanDerWaalsContact C-N 3.31Å; F127-K129 PolarHBondContact O-N 2.88Å |
| 130 | D | 82.8 | Confident | 83.1 | Confident | 73 Ų | 73 | 81.1 Ų | 81.1 | 39% | 0.39 | 43% | 0.426 | S | S | . | . | trans | -144.8 | 90.7 | 174.8 | -179.7 | 17.2 | 0 | 0 | 0 | 110.9 | L126 F127 Y132 S133 | L126-D130 PolarHBondContact O-N 3.34Å; F127-D130 CarbonylContact O-C 3.52Å; F127-D130 VanDerWaalsContact O-C 3.31Å; D130-Y132 VanDerWaalsContact C-N 3.28Å; D130-Y132 PolarHBondContact O-N 3.4Å; D130-Y132 PolarHBondContact OD1-N 2.83Å; D130-S133 PolarHBondContact O-OG 2.84Å; D130-S133 PolarHBondContact OD1-N 3.28Å; D130-S133 WeakPolarHBondContact OD2-CB 3.3Å; D130-S133 PolarHBondContact OD2-OG 3.39Å | ||
| 131 | P | 81.3 | Confident | 84.3 | Confident | 44 Ų | 44 | 81.6 Ų | 81.6 | 29% | 0.286 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -71.5 | -23.6 | -178.5 | 26.4 | -33 | 0 | 0 | 0 | 112.6 | F127 W134 C138 | F127-P131 HydrophobicContact CE2-CB 4.28Å; F127-P131 HydrophobicContact CZ-CB 4.35Å; F127-P131 VanDerWaalsContact O-CA 3.3Å; F127-P131 WeakPolarHBondContact O-CA 3.49Å; F127-P131 VanDerWaalsContact O-N 3.15Å; P131-W134 CarbonylContact O-C 3.31Å; P131-W134 PolarHBondContact O-N 2.78Å; P131-C138 PolarHBondContact O-SG 3.47Å |
| 132 | Y | 84.6 | Confident | 85.2 | Confident | 203 Ų | 203 | 76.3 Ų | 76.3 | 80% | 0.796 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -25.1 | -176.6 | -75 | -93.7 | 0 | 0 | 0 | 112.7 | D130 W134 | D130-Y132 VanDerWaalsContact C-N 3.28Å; D130-Y132 PolarHBondContact O-N 3.4Å; D130-Y132 PolarHBondContact OD1-N 2.83Å; Y132-W134 PolarHBondContact O-N 3.42Å |
| 133 | S | 83.7 | Confident | 86.3 | Confident | 52 Ų | 52 | 70.5 Ų | 70.5 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -16.8 | 171.4 | 51.6 | 0 | 0 | 0 | 0 | 113.7 | D130 P135 | D130-S133 PolarHBondContact O-OG 2.84Å; D130-S133 PolarHBondContact OD1-N 3.28Å; D130-S133 WeakPolarHBondContact OD2-CB 3.3Å; D130-S133 PolarHBondContact OD2-OG 3.39Å; S133-P135 VanDerWaalsContact C-CD 3.41Å; S133-P135 WeakPolarHBondContact O-CD 3.41Å |
| 134 | W | 85.8 | Confident | 87.3 | Confident | 123 Ų | 123 | 69.6 Ų | 69.6 | 47% | 0.466 | 37% | 0.367 | S | S | . | . | trans | -116.8 | 73.5 | 177.8 | -64.4 | 84.2 | 0 | 0 | 0 | 111.1 | L126 F127 P131 Y132 A136 P137 C138 | L126-W134 HydrophobicContact CD2-CZ2 3.77Å; F127-W134 HydrophobicContact CD2-CB 3.77Å; F127-W134 HydrophobicContact CD2-CG 4.29Å; F127-W134 HydrophobicContact CE2-CB 4.06Å; P131-W134 CarbonylContact O-C 3.31Å; P131-W134 PolarHBondContact O-N 2.78Å; Y132-W134 PolarHBondContact O-N 3.42Å; W134-A136 VanDerWaalsContact C-N 3.28Å; W134-A136 PolarHBondContact O-N 3.32Å; W134-P137 HydrophobicContact CB-CG 4.34Å; W134-P137 WeakPolarHBondContact O-CD 3.37Å; W134-C138 PolarHBondContact O-N 3.49Å | ||
| 135 | P | 89.9 | Confident | 88.4 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 10% | 0.104 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.5 | -27.7 | -173.4 | 25.7 | -35.5 | 0 | 0 | 0 | 113.5 | S133 C138 L139 V189 I192 | S133-P135 VanDerWaalsContact C-CD 3.41Å; S133-P135 WeakPolarHBondContact O-CD 3.41Å; P135-C138 WeakPolarHBondContact O-CB 3.3Å; P135-C138 PolarHBondContact O-N 3.38Å; P135-L139 WeakPolarHBondContact O-CG 3.32Å; P135-L139 PolarHBondContact O-N 3.03Å; P135-V189 HydrophobicContact CB-CG1 4.16Å; P135-V189 HydrophobicContact CG-CG1 4.07Å; P135-I192 HydrophobicContact CB-CD1 4.37Å; P135-I192 HydrophobicContact CG-CB 3.76Å; P135-I192 HydrophobicContact CG-CD1 4.21Å; P135-I192 HydrophobicContact CG-CG1 3.98Å |
| 136 | A | 91.1 | Very high | 89.4 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 10% | 0.099 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.8 | -53 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | W134 C138 L139 V140 I192 G196 | W134-A136 VanDerWaalsContact C-N 3.28Å; W134-A136 PolarHBondContact O-N 3.32Å; A136-C138 VanDerWaalsContact C-N 3.27Å; A136-C138 PolarHBondContact O-N 2.79Å; A136-L139 WeakPolarHBondContact O-CB 3.26Å; A136-L139 PolarHBondContact O-N 3.46Å; A136-V140 PolarHBondContact O-N 3.19Å; A136-V140 VanDerWaalsContact O-N 3.1Å; A136-I192 HydrophobicContact CB-CD1 4.09Å; A136-I192 HydrophobicContact CB-CG1 4.23Å; A136-G196 WeakPolarHBondContact CB-O 3.43Å |
| 137 | P | 91.6 | Very high | 90.4 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.6 | -37.5 | 170.6 | -25.7 | 32.6 | 0 | 0 | 0 | 113.4 | F127 W134 L139 V140 I141 | F127-P137 HydrophobicContact CD2-CB 4.16Å; F127-P137 HydrophobicContact CD2-CG 4.42Å; F127-P137 HydrophobicContact CE2-CB 3.62Å; F127-P137 HydrophobicContact CE2-CG 4.25Å; F127-P137 HydrophobicContact CZ-CB 3.94Å; W134-P137 HydrophobicContact CB-CG 4.34Å; W134-P137 WeakPolarHBondContact O-CD 3.37Å; P137-L139 PolarHBondContact O-N 2.97Å; P137-V140 PolarHBondContact O-N 3.34Å; P137-V140 VanDerWaalsContact O-N 3.16Å; P137-I141 WeakPolarHBondContact O-CG1 3.28Å; P137-I141 PolarHBondContact O-N 3.22Å |
| 138 | C | 93.2 | Very high | 91.2 | Very high | 43 Ų | 43 | 63.8 Ų | 63.8 | 29% | 0.291 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 175 | -75.2 | 0 | 0 | 0 | 0 | 112.3 | P131 W134 P135 A136 I141 A142 | P131-C138 PolarHBondContact O-SG 3.47Å; W134-C138 PolarHBondContact O-N 3.49Å; P135-C138 WeakPolarHBondContact O-CB 3.3Å; P135-C138 PolarHBondContact O-N 3.38Å; A136-C138 VanDerWaalsContact C-N 3.27Å; A136-C138 PolarHBondContact O-N 2.79Å; C138-I141 PolarHBondContact O-N 3.34Å; C138-A142 VanDerWaalsContact O-CB 3.29Å; C138-A142 WeakPolarHBondContact O-CB 3.07Å; C138-A142 PolarHBondContact O-N 2.86Å |
| 139 | L | 95.1 | Very high | 92 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 172.9 | -76.8 | 177.5 | 0 | 0 | 0 | 111.9 | P135 A136 P137 I141 A142 A143 F181 P182 V185 V186 I192 A200 H204 | P135-L139 WeakPolarHBondContact O-CG 3.32Å; P135-L139 PolarHBondContact O-N 3.03Å; A136-L139 WeakPolarHBondContact O-CB 3.26Å; A136-L139 PolarHBondContact O-N 3.46Å; P137-L139 PolarHBondContact O-N 2.97Å; L139-I141 VanDerWaalsContact C-N 3.31Å; L139-I141 PolarHBondContact O-N 3.22Å; L139-A142 PolarHBondContact O-N 3.17Å; L139-A143 PolarHBondContact O-N 3.5Å; L139-F181 HydrophobicContact CD2-CD1 4.22Å; L139-F181 HydrophobicContact CD2-CE1 3.57Å; L139-F181 HydrophobicContact CD2-CZ 4.2Å; L139-P182 HydrophobicContact CD1-CB 4.45Å; L139-P182 HydrophobicContact CD2-CB 4.46Å; L139-V185 HydrophobicContact CD1-CB 4.23Å; L139-V185 HydrophobicContact CD1-CG1 3.9Å; L139-V185 HydrophobicContact CD2-CB 3.99Å; L139-V185 HydrophobicContact CD2-CG1 3.89Å; L139-V185 HydrophobicContact CD2-CG2 4.09Å; L139-V185 HydrophobicContact CG-CG1 4.13Å; L139-V186 HydrophobicContact CD1-CG2 4.28Å; L139-I192 HydrophobicContact CD1-CD1 4.1Å; L139-A200 HydrophobicContact CB-CB 4.08Å; L139-A200 HydrophobicContact CD1-CB 4.09Å; L139-H204 PolarHBondContact O-CE1 2.94Å |
| 140 | V | 95.2 | Very high | 92.6 | Very high | 56 Ų | 56 | 51 Ų | 51 | 34% | 0.339 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 178 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | A136 P137 A143 A200 V203 | A136-V140 PolarHBondContact O-N 3.19Å; A136-V140 VanDerWaalsContact O-N 3.1Å; P137-V140 PolarHBondContact O-N 3.34Å; P137-V140 VanDerWaalsContact O-N 3.16Å; V140-A143 WeakPolarHBondContact O-CB 3.34Å; V140-A143 PolarHBondContact O-N 3.05Å; V140-A200 HydrophobicContact CG2-CB 4.48Å; V140-V203 HydrophobicContact CG1-CG1 4.38Å; V140-V203 HydrophobicContact CG2-CB 4.47Å; V140-V203 HydrophobicContact CG2-CG2 4.3Å |
| 141 | I | 94.9 | Very high | 93.3 | Very high | 94 Ų | 94 | 47.6 Ų | 47.6 | 48% | 0.482 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 175.6 | -63.8 | 165.1 | 0 | 0 | 0 | 110.4 | F127 P137 C138 L139 A143 N144 | F127-I141 HydrophobicContact CE1-CD1 3.86Å; F127-I141 HydrophobicContact CZ-CD1 3.81Å; P137-I141 WeakPolarHBondContact O-CG1 3.28Å; P137-I141 PolarHBondContact O-N 3.22Å; C138-I141 PolarHBondContact O-N 3.34Å; L139-I141 VanDerWaalsContact C-N 3.31Å; L139-I141 PolarHBondContact O-N 3.22Å; I141-A143 PolarHBondContact O-N 3.48Å; I141-N144 VanDerWaalsContact O-CB 3.32Å; I141-N144 WeakPolarHBondContact O-CB 3.45Å; I141-N144 PolarHBondContact O-N 3.14Å; I141-N144 PolarHBondContact O-ND2 2.99Å |
| 142 | A | 95.5 | Very high | 94.1 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 24% | 0.24 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -25 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C138 L139 N144 V145 F181 | C138-A142 VanDerWaalsContact O-CB 3.29Å; C138-A142 WeakPolarHBondContact O-CB 3.07Å; C138-A142 PolarHBondContact O-N 2.86Å; L139-A142 PolarHBondContact O-N 3.17Å; A142-N144 PolarHBondContact O-N 3.07Å; A142-V145 VanDerWaalsContact O-CB 3.3Å; A142-V145 WeakPolarHBondContact O-CB 3.5Å; A142-V145 WeakPolarHBondContact O-CG2 3.3Å; A142-V145 PolarHBondContact O-N 2.94Å; A142-F181 HydrophobicContact CB-CE1 4.45Å |
| 143 | A | 96.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.8 | -27.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | L139 V140 I141 V145 F146 A147 L207 | L139-A143 PolarHBondContact O-N 3.5Å; V140-A143 WeakPolarHBondContact O-CB 3.34Å; V140-A143 PolarHBondContact O-N 3.05Å; I141-A143 PolarHBondContact O-N 3.48Å; A143-V145 PolarHBondContact O-N 3.3Å; A143-F146 PolarHBondContact O-N 2.91Å; A143-A147 PolarHBondContact O-N 3.1Å; A143-L207 HydrophobicContact CB-CD2 3.84Å; A143-L207 VanDerWaalsContact O-CD2 3.25Å; A143-L207 WeakPolarHBondContact O-CD2 3.32Å |
| 144 | N | 97.3 | Very high | 95.3 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 32% | 0.316 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.4 | -31.7 | 174.4 | -73 | -74.7 | 0 | 0 | 0 | 113.2 | I141 A142 F146 A147 V148 Y256 | I141-N144 VanDerWaalsContact O-CB 3.32Å; I141-N144 WeakPolarHBondContact O-CB 3.45Å; I141-N144 PolarHBondContact O-N 3.14Å; I141-N144 PolarHBondContact O-ND2 2.99Å; A142-N144 PolarHBondContact O-N 3.07Å; N144-F146 VanDerWaalsContact C-N 3.3Å; N144-F146 PolarHBondContact O-N 3.31Å; N144-A147 PolarHBondContact O-N 2.86Å; N144-V148 WeakPolarHBondContact O-CB 3.26Å; N144-V148 WeakPolarHBondContact O-CG2 3.37Å; N144-V148 PolarHBondContact O-N 3.49Å; N144-Y256 VanDerWaalsContact OD1-CE1 3.26Å; N144-Y256 WeakPolarHBondContact OD1-CE1 3.47Å; N144-Y256 PolarHBondContact OD1-OH 3.46Å |
| 145 | V | 97.8 | Very high | 95.7 | Very high | 100 Ų | 100 | 36.2 Ų | 36.2 | 61% | 0.606 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -58.6 | -46.1 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | A142 A143 V148 A149 | A142-V145 VanDerWaalsContact O-CB 3.3Å; A142-V145 WeakPolarHBondContact O-CB 3.5Å; A142-V145 WeakPolarHBondContact O-CG2 3.3Å; A142-V145 PolarHBondContact O-N 2.94Å; A143-V145 PolarHBondContact O-N 3.3Å; V145-V148 PolarHBondContact O-N 3.4Å; V145-A149 VanDerWaalsContact O-CB 3.26Å; V145-A149 WeakPolarHBondContact O-CB 3.35Å; V145-A149 PolarHBondContact O-N 2.88Å |
| 146 | F | 97.8 | Very high | 96 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 9% | 0.088 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.7 | -35.2 | 179.9 | -51.2 | -65.2 | 0 | 0 | 0 | 112.9 | A143 N144 A150 N174 T177 I178 F181 L207 | A143-F146 PolarHBondContact O-N 2.91Å; N144-F146 VanDerWaalsContact C-N 3.3Å; N144-F146 PolarHBondContact O-N 3.31Å; F146-A150 WeakPolarHBondContact O-CB 3.47Å; F146-A150 PolarHBondContact O-N 3.21Å; F146-N174 WeakPolarHBondContact CD1-OD1 3.33Å; F146-N174 PolarHBondContact O-ND2 3.25Å; F146-T177 HydrophobicContact CE1-CG2 3.63Å; F146-T177 HydrophobicContact CZ-CG2 4.2Å; F146-I178 HydrophobicContact CB-CD1 3.7Å; F146-I178 HydrophobicContact CB-CG1 3.4Å; F146-I178 VanDerWaalsContact CB-CG1 3.4Å; F146-I178 HydrophobicContact CD1-CG1 3.91Å; F146-I178 HydrophobicContact CD2-CG1 3.84Å; F146-I178 HydrophobicContact CG-CD1 4.31Å; F146-I178 HydrophobicContact CG-CG1 3.44Å; F146-I178 VanDerWaalsContact CG-CG1 3.44Å; F146-F181 AromaticContact CE2-CD1 3.92Å; F146-F181 HydrophobicContact CE2-CD1 3.92Å; F146-F181 HydrophobicContact CE2-CE1 4.5Å; F146-F181 HydrophobicContact CZ-CB 4.04Å; F146-F181 AromaticContact CZ-CD1 3.69Å; F146-F181 HydrophobicContact CZ-CD1 3.69Å; F146-F181 HydrophobicContact CZ-CE1 4.37Å; F146-F181 AromaticContact CZ-CG 3.94Å; F146-F181 HydrophobicContact CZ-CG 3.94Å; F146-L207 HydrophobicContact CB-CD2 4.35Å |
| 147 | A | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -47.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A143 N144 A150 F151 L207 L259 | A143-A147 PolarHBondContact O-N 3.1Å; N144-A147 PolarHBondContact O-N 2.86Å; A147-A150 PolarHBondContact O-N 3.46Å; A147-F151 PolarHBondContact O-N 3.27Å; A147-F151 VanDerWaalsContact O-N 3.1Å; A147-L207 HydrophobicContact CB-CD1 4.2Å; A147-L259 HydrophobicContact CB-CD1 3.68Å |
| 148 | V | 97.9 | Very high | 96.1 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 26% | 0.255 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.5 | -41 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | N144 V145 A150 F151 Q152 Y252 | N144-V148 WeakPolarHBondContact O-CB 3.26Å; N144-V148 WeakPolarHBondContact O-CG2 3.37Å; N144-V148 PolarHBondContact O-N 3.49Å; V145-V148 PolarHBondContact O-N 3.4Å; V148-A150 PolarHBondContact O-N 3.11Å; V148-F151 WeakPolarHBondContact O-CB 3.42Å; V148-F151 PolarHBondContact O-N 3Å; V148-Q152 HydrophobicContact CG1-CG 4.18Å; V148-Q152 VanDerWaalsContact O-CG 3.31Å; V148-Q152 WeakPolarHBondContact O-CG 3.07Å; V148-Q152 PolarHBondContact O-N 3.27Å; V148-Y252 HydrophobicContact CG1-CE1 4.31Å; V148-Y252 HydrophobicContact CG2-CE1 4.3Å |
| 149 | A | 97.6 | Very high | 96.1 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 31% | 0.314 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.9 | -48.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V145 F151 Q152 V153 | V145-A149 VanDerWaalsContact O-CB 3.26Å; V145-A149 WeakPolarHBondContact O-CB 3.35Å; V145-A149 PolarHBondContact O-N 2.88Å; A149-F151 VanDerWaalsContact C-N 3.31Å; A149-F151 PolarHBondContact O-N 3.03Å; A149-Q152 PolarHBondContact O-N 3.21Å; A149-V153 WeakPolarHBondContact O-CG2 3.47Å; A149-V153 PolarHBondContact O-N 3.38Å |
| 150 | A | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F146 A147 V148 V153 E154 L211 | F146-A150 WeakPolarHBondContact O-CB 3.47Å; F146-A150 PolarHBondContact O-N 3.21Å; A147-A150 PolarHBondContact O-N 3.46Å; V148-A150 PolarHBondContact O-N 3.11Å; A150-V153 PolarHBondContact O-N 3.43Å; A150-E154 PolarHBondContact O-N 3.46Å; A150-E154 VanDerWaalsContact O-N 3.11Å; A150-L211 HydrophobicContact CB-CD1 3.94Å; A150-L211 HydrophobicContact CB-CD2 3.95Å; A150-L211 HydrophobicContact CB-CG 4.39Å |
| 151 | F | 97.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 176.5 | 175.7 | -97.1 | 0 | 0 | 0 | 112.6 | A147 V148 A149 V153 E154 K155 L250 Y252 L255 | A147-F151 PolarHBondContact O-N 3.27Å; A147-F151 VanDerWaalsContact O-N 3.1Å; V148-F151 WeakPolarHBondContact O-CB 3.42Å; V148-F151 PolarHBondContact O-N 3Å; A149-F151 VanDerWaalsContact C-N 3.31Å; A149-F151 PolarHBondContact O-N 3.03Å; F151-V153 VanDerWaalsContact C-N 3.33Å; F151-V153 PolarHBondContact O-N 3.44Å; F151-E154 PolarHBondContact O-N 2.88Å; F151-K155 HydrophobicContact CE1-CD 4.27Å; F151-K155 WeakPolarHBondContact O-CB 3.25Å; F151-K155 PolarHBondContact O-N 3.25Å; F151-L250 HydrophobicContact CE2-CB 4.41Å; F151-L250 WeakPolarHBondContact CZ-O 3.36Å; F151-Y252 HydrophobicContact CD1-CD1 4.11Å; F151-Y252 AromaticContact CD1-CE1 3.58Å; F151-Y252 HydrophobicContact CD1-CE1 3.58Å; F151-Y252 HydrophobicContact CD1-CE2 4.25Å; F151-Y252 AromaticContact CD1-CZ 3.68Å; F151-Y252 HydrophobicContact CE1-CD1 4.11Å; F151-Y252 AromaticContact CE1-CD2 3.97Å; F151-Y252 HydrophobicContact CE1-CD2 3.97Å; F151-Y252 AromaticContact CE1-CE1 3.79Å; F151-Y252 HydrophobicContact CE1-CE1 3.79Å; F151-Y252 AromaticContact CE1-CE2 3.64Å; F151-Y252 HydrophobicContact CE1-CE2 3.64Å; F151-Y252 HydrophobicContact CE1-CG 4.2Å; F151-Y252 AromaticContact CE1-CZ 3.56Å; F151-Y252 HydrophobicContact CG-CE1 4.3Å; F151-Y252 HydrophobicContact CZ-CD2 4.29Å; F151-Y252 HydrophobicContact CZ-CE2 4.38Å; F151-Y252 HydrophobicContact CZ-CG 4.39Å; F151-L255 HydrophobicContact CB-CD2 3.62Å; F151-L255 HydrophobicContact CD2-CB 4.28Å; F151-L255 HydrophobicContact CD2-CD2 3.97Å; F151-L255 HydrophobicContact CG-CD2 3.93Å |
| 152 | Q | 97.1 | Very high | 95.6 | Very high | 63 Ų | 63 | 45.5 Ų | 45.5 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 179.1 | -66.2 | -63.5 | 9 | 0 | 0 | 112.4 | V148 A149 K155 R156 Y252 | V148-Q152 HydrophobicContact CG1-CG 4.18Å; V148-Q152 VanDerWaalsContact O-CG 3.31Å; V148-Q152 WeakPolarHBondContact O-CG 3.07Å; V148-Q152 PolarHBondContact O-N 3.27Å; A149-Q152 PolarHBondContact O-N 3.21Å; Q152-K155 PolarHBondContact O-N 2.76Å; Q152-R156 WeakPolarHBondContact O-CB 3.43Å; Q152-R156 VanDerWaalsContact O-CG 3.3Å; Q152-R156 WeakPolarHBondContact O-CG 3.28Å; Q152-R156 PolarHBondContact O-N 2.84Å; Q152-Y252 PolarHBondContact NE2-OH 2.82Å |
| 153 | V | 96.9 | Very high | 95.5 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 173 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | A149 A150 F151 K155 R156 L157 L162 L170 H171 | A149-V153 WeakPolarHBondContact O-CG2 3.47Å; A149-V153 PolarHBondContact O-N 3.38Å; A150-V153 PolarHBondContact O-N 3.43Å; F151-V153 VanDerWaalsContact C-N 3.33Å; F151-V153 PolarHBondContact O-N 3.44Å; V153-K155 PolarHBondContact O-N 2.71Å; V153-R156 PolarHBondContact O-N 3.15Å; V153-L157 HydrophobicContact CG1-CD1 3.87Å; V153-L157 HydrophobicContact CG1-CG 4.43Å; V153-L157 WeakPolarHBondContact O-CG 3.3Å; V153-L157 PolarHBondContact O-N 3.39Å; V153-L162 HydrophobicContact CG1-CD1 4.46Å; V153-L170 HydrophobicContact CG1-CB 4.19Å; V153-L170 HydrophobicContact CG1-CD1 4.49Å; V153-L170 HydrophobicContact CG2-CB 3.98Å; V153-L170 HydrophobicContact CG2-CD1 4.2Å; V153-H171 VanDerWaalsContact CG1-NE2 3.3Å; V153-H171 WeakPolarHBondContact CG1-NE2 3.43Å |
| 154 | E | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 177.8 | -74.8 | -64.1 | 171.8 | 0 | 0 | 112.7 | A150 F151 R156 L157 A158 H171 Y214 R215 N218 R222 L250 | A150-E154 PolarHBondContact O-N 3.46Å; A150-E154 VanDerWaalsContact O-N 3.11Å; F151-E154 PolarHBondContact O-N 2.88Å; E154-R156 VanDerWaalsContact C-N 3.34Å; E154-R156 PolarHBondContact O-N 2.92Å; E154-L157 PolarHBondContact O-N 3.48Å; E154-A158 WeakPolarHBondContact O-CB 3.33Å; E154-A158 PolarHBondContact O-N 3.26Å; E154-H171 IonicContact OE1-CE1 3.26Å; E154-H171 IonicContact OE1-NE2 3.09Å; E154-H171 PolarHBondContact OE1-NE2 3.01Å; E154-Y214 HydrophobicContact CB-CE1 4.17Å; E154-Y214 HydrophobicContact CG-CD1 4.18Å; E154-Y214 HydrophobicContact CG-CE1 3.76Å; E154-R215 WeakPolarHBondContact OE1-CA 3.44Å; E154-N218 HydrophobicContact CG-CB 4.45Å; E154-R222 IonicContact OE2-CZ 3.8Å; E154-R222 IonicContact OE2-NH1 3.92Å; E154-R222 PolarHBondContact OE2-NH1 3.34Å; E154-L250 HydrophobicContact CB-CD2 4.18Å |
| 155 | K | 95.4 | Very high | 95.2 | Very high | 104 Ų | 104 | 57 Ų | 57 | 45% | 0.452 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.4 | -171.1 | 175.4 | 177.5 | 178 | 0 | 111.8 | F151 Q152 V153 A158 V159 | F151-K155 HydrophobicContact CE1-CD 4.27Å; F151-K155 WeakPolarHBondContact O-CB 3.25Å; F151-K155 PolarHBondContact O-N 3.25Å; Q152-K155 PolarHBondContact O-N 2.76Å; V153-K155 PolarHBondContact O-N 2.71Å; K155-A158 PolarHBondContact O-N 3.17Å; K155-V159 PolarHBondContact O-N 2.73Å |
| 156 | R | 95.2 | Very high | 95.1 | Very high | 144 Ų | 144 | 53.7 Ų | 53.7 | 54% | 0.543 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.9 | -36.9 | 176.3 | -72.2 | 177.5 | -175.7 | -179.6 | 1.6 | 112.4 | Q152 V153 E154 A158 V159 G160 A161 L162 | Q152-R156 WeakPolarHBondContact O-CB 3.43Å; Q152-R156 VanDerWaalsContact O-CG 3.3Å; Q152-R156 WeakPolarHBondContact O-CG 3.28Å; Q152-R156 PolarHBondContact O-N 2.84Å; V153-R156 PolarHBondContact O-N 3.15Å; E154-R156 VanDerWaalsContact C-N 3.34Å; E154-R156 PolarHBondContact O-N 2.92Å; R156-A158 VanDerWaalsContact C-N 3.34Å; R156-V159 WeakPolarHBondContact O-CG2 3.38Å; R156-G160 PolarHBondContact O-N 3.45Å; R156-A161 HydrophobicContact CB-CB 4.44Å; R156-A161 PolarHBondContact O-N 2.97Å; R156-L162 HydrophobicContact CB-CD1 3.64Å; R156-L162 HydrophobicContact CB-CG 3.94Å |
| 157 | L | 94.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 172.7 | -73 | 166.1 | 0 | 0 | 0 | 111.8 | V153 E154 V159 G160 L162 | V153-L157 HydrophobicContact CG1-CD1 3.87Å; V153-L157 HydrophobicContact CG1-CG 4.43Å; V153-L157 WeakPolarHBondContact O-CG 3.3Å; V153-L157 PolarHBondContact O-N 3.39Å; E154-L157 PolarHBondContact O-N 3.48Å; L157-V159 VanDerWaalsContact C-N 3.35Å; L157-V159 PolarHBondContact O-N 3.35Å; L157-G160 PolarHBondContact O-N 2.85Å; L157-L162 HydrophobicContact CD2-CB 3.8Å; L157-L162 HydrophobicContact CG-CB 4.27Å |
| 158 | A | 92 | Very high | 94.8 | Very high | 30 Ų | 30 | 56.9 Ų | 56.9 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -34.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E154 K155 R156 G160 Y246 L250 | E154-A158 WeakPolarHBondContact O-CB 3.33Å; E154-A158 PolarHBondContact O-N 3.26Å; K155-A158 PolarHBondContact O-N 3.17Å; R156-A158 VanDerWaalsContact C-N 3.34Å; A158-G160 VanDerWaalsContact C-N 3.34Å; A158-Y246 VanDerWaalsContact CA-OH 3.31Å; A158-Y246 WeakPolarHBondContact CA-OH 3.44Å; A158-Y246 VanDerWaalsContact CB-OH 3.24Å; A158-Y246 WeakPolarHBondContact CB-OH 3.38Å; A158-L250 HydrophobicContact CB-CD1 3.35Å |
| 159 | V | 92 | Very high | 94.8 | Very high | 111 Ų | 111 | 60.9 Ų | 60.9 | 67% | 0.673 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -0.4 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | K155 R156 L157 A161 | K155-V159 PolarHBondContact O-N 2.73Å; R156-V159 WeakPolarHBondContact O-CG2 3.38Å; L157-V159 VanDerWaalsContact C-N 3.35Å; L157-V159 PolarHBondContact O-N 3.35Å; V159-A161 VanDerWaalsContact C-N 3.33Å; V159-A161 HydrophobicContact CG2-CB 3.9Å |
| 160 | G | 90.3 | Very high | 94.8 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 63% | 0.629 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 14.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | R156 L157 A158 L162 | R156-G160 PolarHBondContact O-N 3.45Å; L157-G160 PolarHBondContact O-N 2.85Å; A158-G160 VanDerWaalsContact C-N 3.34Å; G160-L162 VanDerWaalsContact C-N 3.3Å; G160-L162 PolarHBondContact O-N 3.46Å |
| 161 | A | 92.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 63 Ų | 63 | 60% | 0.603 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -74.7 | -19.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R156 V159 | R156-A161 HydrophobicContact CB-CB 4.44Å; R156-A161 PolarHBondContact O-N 2.97Å; V159-A161 VanDerWaalsContact C-N 3.33Å; V159-A161 HydrophobicContact CG2-CB 3.9Å |
| 162 | L | 93.2 | Very high | 94.8 | Very high | 45 Ų | 45 | 66.7 Ų | 66.7 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -121.5 | 144.5 | 176.2 | -72.6 | 175 | 0 | 0 | 0 | 110.6 | V153 R156 L157 G160 L170 | V153-L162 HydrophobicContact CG1-CD1 4.46Å; R156-L162 HydrophobicContact CB-CD1 3.64Å; R156-L162 HydrophobicContact CB-CG 3.94Å; L157-L162 HydrophobicContact CD2-CB 3.8Å; L157-L162 HydrophobicContact CG-CB 4.27Å; G160-L162 VanDerWaalsContact C-N 3.3Å; G160-L162 PolarHBondContact O-N 3.46Å; L162-L170 HydrophobicContact CD1-CD1 3.95Å |
| 163 | T | 93.9 | Very high | 94.8 | Very high | 95 Ų | 95 | 66.2 Ų | 66.2 | 58% | 0.583 | 38% | 0.38 | S | S | * | . | trans | -74.2 | 154.5 | 169.7 | 68.2 | 0 | 0 | 0 | 0 | 110.5 | Q165 A166 G167 | T163-Q165 PolarHBondContact O-N 3.47Å; T163-A166 PolarHBondContact O-N 3.39Å; T163-A166 WeakPolarHBondContact OG1-CB 3.42Å; T163-A166 PolarHBondContact OG1-N 2.96Å; T163-G167 PolarHBondContact O-N 2.95Å | ||
| 164 | E | 92.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 66.4 Ų | 66.4 | 38% | 0.383 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -33.8 | 179.1 | -68.5 | -71.5 | 177.4 | 0 | 0 | 112.8 | L168 L219 R222 | E164-L168 VanDerWaalsContact O-CB 3.32Å; E164-L168 WeakPolarHBondContact O-CB 3.35Å; E164-L168 PolarHBondContact O-N 3.33Å; E164-L219 WeakPolarHBondContact OE2-CD1 3.47Å; E164-R222 IonicContact OE1-CZ 2.68Å; E164-R222 IonicContact OE1-NE 3.83Å; E164-R222 PolarHBondContact OE1-NE 2.72Å; E164-R222 IonicContact OE1-NH2 2.88Å; E164-R222 IonicContact OE2-CZ 2.67Å; E164-R222 IonicContact OE2-NE 3.34Å; E164-R222 IonicContact OE2-NH2 3.56Å; E164-R222 PolarHBondContact OE2-NH2 2.97Å |
| 165 | Q | 94.3 | Very high | 94.9 | Very high | 157 Ų | 157 | 66.9 Ų | 66.9 | 73% | 0.734 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.2 | -46.6 | 177.1 | -71 | -172.5 | -15.8 | 0 | 0 | 111.6 | T163 G167 L168 L169 | T163-Q165 PolarHBondContact O-N 3.47Å; Q165-G167 VanDerWaalsContact C-N 3.33Å; Q165-G167 PolarHBondContact O-N 2.83Å; Q165-L168 PolarHBondContact O-N 2.8Å; Q165-L169 WeakPolarHBondContact O-CG 3.43Å; Q165-L169 PolarHBondContact O-N 3.25Å |
| 166 | A | 95.4 | Very high | 95 | Very high | 31 Ų | 31 | 64.3 Ų | 64.3 | 26% | 0.256 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T163 L169 L170 | T163-A166 PolarHBondContact O-N 3.39Å; T163-A166 WeakPolarHBondContact OG1-CB 3.42Å; T163-A166 PolarHBondContact OG1-N 2.96Å; A166-L169 PolarHBondContact O-N 3.46Å; A166-L170 WeakPolarHBondContact O-CG 3.43Å; A166-L170 PolarHBondContact O-N 2.95Å |
| 167 | G | 94.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T163 Q165 L169 L170 H171 | T163-G167 PolarHBondContact O-N 2.95Å; Q165-G167 VanDerWaalsContact C-N 3.33Å; Q165-G167 PolarHBondContact O-N 2.83Å; G167-L169 PolarHBondContact O-N 3.38Å; G167-L170 PolarHBondContact O-N 3.23Å; G167-H171 PolarHBondContact O-CD2 2.96Å; G167-H171 PolarHBondContact O-N 2.94Å |
| 168 | L | 95.1 | Very high | 95.3 | Very high | 87 Ų | 87 | 60 Ų | 60 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.6 | 179.2 | 63.2 | 0 | 0 | 0 | 111.7 | E164 Q165 H171 V172 | E164-L168 VanDerWaalsContact O-CB 3.32Å; E164-L168 WeakPolarHBondContact O-CB 3.35Å; E164-L168 PolarHBondContact O-N 3.33Å; Q165-L168 PolarHBondContact O-N 2.8Å; L168-H171 PolarHBondContact O-N 3.43Å; L168-V172 HydrophobicContact CD1-CG2 4.2Å; L168-V172 HydrophobicContact CG-CG2 4.47Å; L168-V172 VanDerWaalsContact O-CG2 3.31Å; L168-V172 WeakPolarHBondContact O-CG2 3.46Å; L168-V172 PolarHBondContact O-N 3Å |
| 169 | L | 97 | Very high | 95.6 | Very high | 126 Ų | 126 | 59.5 Ų | 59.5 | 66% | 0.66 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.6 | -47 | 177.4 | -76.7 | 162.1 | 0 | 0 | 0 | 111.5 | Q165 A166 G167 H171 V172 A173 | Q165-L169 WeakPolarHBondContact O-CG 3.43Å; Q165-L169 PolarHBondContact O-N 3.25Å; A166-L169 PolarHBondContact O-N 3.46Å; G167-L169 PolarHBondContact O-N 3.38Å; L169-H171 PolarHBondContact O-N 3.15Å; L169-V172 PolarHBondContact O-N 3.4Å; L169-A173 WeakPolarHBondContact O-CB 3.12Å; L169-A173 PolarHBondContact O-N 3.16Å |
| 170 | L | 97.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 58.3 Ų | 58.3 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 177.2 | -70.8 | 172.1 | 0 | 0 | 0 | 112.2 | V153 L162 A166 G167 N174 | V153-L170 HydrophobicContact CG1-CB 4.19Å; V153-L170 HydrophobicContact CG1-CD1 4.49Å; V153-L170 HydrophobicContact CG2-CB 3.98Å; V153-L170 HydrophobicContact CG2-CD1 4.2Å; L162-L170 HydrophobicContact CD1-CD1 3.95Å; A166-L170 WeakPolarHBondContact O-CG 3.43Å; A166-L170 PolarHBondContact O-N 2.95Å; G167-L170 PolarHBondContact O-N 3.23Å; L170-N174 VanDerWaalsContact O-CB 3.31Å; L170-N174 WeakPolarHBondContact O-CB 3.24Å; L170-N174 PolarHBondContact O-N 2.93Å |
| 171 | H | 97.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.028 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 174.7 | -80.7 | -61.2 | 0 | 0 | 0 | 112.4 | V153 E154 G167 L168 L169 N174 L175 R215 | V153-H171 VanDerWaalsContact CG1-NE2 3.3Å; V153-H171 WeakPolarHBondContact CG1-NE2 3.43Å; E154-H171 IonicContact OE1-CE1 3.26Å; E154-H171 IonicContact OE1-NE2 3.09Å; E154-H171 PolarHBondContact OE1-NE2 3.01Å; G167-H171 PolarHBondContact O-CD2 2.96Å; G167-H171 PolarHBondContact O-N 2.94Å; L168-H171 PolarHBondContact O-N 3.43Å; L169-H171 PolarHBondContact O-N 3.15Å; H171-N174 PolarHBondContact O-N 2.95Å; H171-L175 VanDerWaalsContact O-CB 3.3Å; H171-L175 WeakPolarHBondContact O-CB 3.39Å; H171-L175 WeakPolarHBondContact O-CG 3.36Å; H171-L175 PolarHBondContact O-N 2.76Å; H171-R215 HydrophobicContact CB-CG 4.2Å |
| 172 | V | 97.3 | Very high | 96.3 | Very high | 78 Ų | 78 | 55.8 Ų | 55.8 | 47% | 0.473 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | L168 L169 L175 A176 | L168-V172 HydrophobicContact CD1-CG2 4.2Å; L168-V172 HydrophobicContact CG-CG2 4.47Å; L168-V172 VanDerWaalsContact O-CG2 3.31Å; L168-V172 WeakPolarHBondContact O-CG2 3.46Å; L168-V172 PolarHBondContact O-N 3Å; L169-V172 PolarHBondContact O-N 3.4Å; V172-L175 PolarHBondContact O-N 3.31Å; V172-A176 WeakPolarHBondContact O-CB 3.41Å; V172-A176 PolarHBondContact O-N 3.24Å |
| 173 | A | 97.9 | Very high | 96.5 | Very high | 53 Ų | 53 | 54.3 Ų | 54.3 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L169 A176 T177 | L169-A173 WeakPolarHBondContact O-CB 3.12Å; L169-A173 PolarHBondContact O-N 3.16Å; A173-A176 PolarHBondContact O-N 3.24Å; A173-T177 WeakPolarHBondContact O-CB 2.98Å; A173-T177 PolarHBondContact O-N 2.88Å; A173-T177 PolarHBondContact O-OG1 3.04Å |
| 174 | N | 98.1 | Very high | 96.6 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 176.9 | -171.8 | 45.1 | 0 | 0 | 0 | 111.5 | F146 L170 H171 A176 T177 I178 | F146-N174 WeakPolarHBondContact CD1-OD1 3.33Å; F146-N174 PolarHBondContact O-ND2 3.25Å; L170-N174 VanDerWaalsContact O-CB 3.31Å; L170-N174 WeakPolarHBondContact O-CB 3.24Å; L170-N174 PolarHBondContact O-N 2.93Å; H171-N174 PolarHBondContact O-N 2.95Å; N174-A176 PolarHBondContact O-N 2.76Å; N174-T177 PolarHBondContact O-N 3.46Å; N174-I178 VanDerWaalsContact O-CG1 3.28Å; N174-I178 WeakPolarHBondContact O-CG1 3.08Å; N174-I178 PolarHBondContact O-N 3.29Å |
| 175 | L | 97.7 | Very high | 96.7 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 179.4 | -72.9 | 173.2 | 0 | 0 | 0 | 112.7 | H171 V172 I178 F208 L211 F212 | H171-L175 VanDerWaalsContact O-CB 3.3Å; H171-L175 WeakPolarHBondContact O-CB 3.39Å; H171-L175 WeakPolarHBondContact O-CG 3.36Å; H171-L175 PolarHBondContact O-N 2.76Å; V172-L175 PolarHBondContact O-N 3.31Å; L175-I178 HydrophobicContact CD2-CD1 4.26Å; L175-I178 PolarHBondContact O-N 3.5Å; L175-F208 HydrophobicContact CB-CD2 4Å; L175-F208 HydrophobicContact CB-CE2 3.84Å; L175-F208 HydrophobicContact CD2-CD2 3.87Å; L175-F208 HydrophobicContact CD2-CE2 4.25Å; L175-F208 WeakPolarHBondContact O-CD2 2.85Å; L175-L211 HydrophobicContact CD2-CB 3.9Å; L175-F212 HydrophobicContact CD1-CB 4.47Å; L175-F212 HydrophobicContact CD1-CD2 4Å |
| 176 | A | 97.6 | Very high | 96.7 | Very high | 50 Ų | 50 | 42.1 Ų | 42.1 | 41% | 0.413 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V172 A173 N174 I178 L179 C180 | V172-A176 WeakPolarHBondContact O-CB 3.41Å; V172-A176 PolarHBondContact O-N 3.24Å; A173-A176 PolarHBondContact O-N 3.24Å; N174-A176 PolarHBondContact O-N 2.76Å; A176-I178 VanDerWaalsContact C-N 3.31Å; A176-I178 PolarHBondContact O-N 3.36Å; A176-L179 PolarHBondContact O-N 3.39Å; A176-L179 VanDerWaalsContact O-N 3.13Å; A176-C180 PolarHBondContact O-N 3.16Å; A176-C180 PolarHBondContact O-SG 2.93Å; A176-C180 VanDerWaalsContact O-SG 3.4Å |
| 177 | T | 97.6 | Very high | 96.7 | Very high | 63 Ų | 63 | 43.8 Ų | 43.8 | 39% | 0.387 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 179.5 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | F146 A173 N174 L179 C180 F181 | F146-T177 HydrophobicContact CE1-CG2 3.63Å; F146-T177 HydrophobicContact CZ-CG2 4.2Å; A173-T177 WeakPolarHBondContact O-CB 2.98Å; A173-T177 PolarHBondContact O-N 2.88Å; A173-T177 PolarHBondContact O-OG1 3.04Å; N174-T177 PolarHBondContact O-N 3.46Å; T177-L179 PolarHBondContact O-N 3.28Å; T177-C180 PolarHBondContact O-N 2.91Å; T177-F181 HydrophobicContact CG2-CB 4.14Å; T177-F181 WeakPolarHBondContact O-CB 3.44Å; T177-F181 PolarHBondContact O-N 3.41Å |
| 178 | I | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.8 | -32.8 | 176.1 | -69.8 | 164.8 | 0 | 0 | 0 | 112.4 | F146 N174 L175 A176 P182 H204 F208 L211 | F146-I178 HydrophobicContact CB-CD1 3.7Å; F146-I178 HydrophobicContact CB-CG1 3.4Å; F146-I178 VanDerWaalsContact CB-CG1 3.4Å; F146-I178 HydrophobicContact CD1-CG1 3.91Å; F146-I178 HydrophobicContact CD2-CG1 3.84Å; F146-I178 HydrophobicContact CG-CD1 4.31Å; F146-I178 HydrophobicContact CG-CG1 3.44Å; F146-I178 VanDerWaalsContact CG-CG1 3.44Å; N174-I178 VanDerWaalsContact O-CG1 3.28Å; N174-I178 WeakPolarHBondContact O-CG1 3.08Å; N174-I178 PolarHBondContact O-N 3.29Å; L175-I178 HydrophobicContact CD2-CD1 4.26Å; L175-I178 PolarHBondContact O-N 3.5Å; A176-I178 VanDerWaalsContact C-N 3.31Å; A176-I178 PolarHBondContact O-N 3.36Å; I178-P182 WeakPolarHBondContact O-CD 3.36Å; I178-P182 WeakPolarHBondContact O-CG 3.36Å; I178-H204 HydrophobicContact CG2-CB 4.18Å; I178-H204 VanDerWaalsContact CG2-O 3.25Å; I178-H204 WeakPolarHBondContact CG2-O 3.37Å; I178-F208 HydrophobicContact CG2-CB 3.89Å; I178-L211 HydrophobicContact CD1-CD1 3.63Å |
| 179 | L | 97.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -89.2 | -42.1 | 178.8 | -62.6 | -178.8 | 0 | 0 | 0 | 112.2 | A176 T177 A183 F208 F416 F417 Y420 | A176-L179 PolarHBondContact O-N 3.39Å; A176-L179 VanDerWaalsContact O-N 3.13Å; T177-L179 PolarHBondContact O-N 3.28Å; L179-A183 WeakPolarHBondContact O-CB 3.29Å; L179-F208 HydrophobicContact CD1-CD1 4.4Å; L179-F208 HydrophobicContact CD1-CD2 3.82Å; L179-F208 HydrophobicContact CD1-CE1 4.39Å; L179-F208 HydrophobicContact CD1-CE2 3.77Å; L179-F208 HydrophobicContact CD1-CG 4.14Å; L179-F208 HydrophobicContact CD1-CZ 4.09Å; L179-F208 HydrophobicContact CD2-CB 3.92Å; L179-F208 HydrophobicContact CD2-CD1 4.48Å; L179-F208 HydrophobicContact CD2-CD2 4.23Å; L179-F208 HydrophobicContact CD2-CG 3.97Å; L179-F208 HydrophobicContact CG-CB 4.4Å; L179-F208 HydrophobicContact CG-CD2 3.82Å; L179-F208 HydrophobicContact CG-CE2 4.26Å; L179-F208 HydrophobicContact CG-CG 4.08Å; L179-F416 HydrophobicContact CD1-CE1 4.42Å; L179-F417 HydrophobicContact CD1-CE1 4.2Å; L179-F417 HydrophobicContact CD1-CZ 4.24Å; L179-F417 HydrophobicContact CD2-CE1 3.97Å; L179-Y420 PolarHBondContact O-OH 2.94Å |
| 180 | C | 97.4 | Very high | 96.1 | Very high | 86 Ų | 86 | 50.6 Ų | 50.6 | 58% | 0.581 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -73.7 | -39.6 | -176.3 | -64.5 | 0 | 0 | 0 | 0 | 112.9 | A176 T177 A183 A184 | A176-C180 PolarHBondContact O-N 3.16Å; A176-C180 PolarHBondContact O-SG 2.93Å; A176-C180 VanDerWaalsContact O-SG 3.4Å; T177-C180 PolarHBondContact O-N 2.91Å; C180-A183 PolarHBondContact O-N 3.46Å; C180-A184 WeakPolarHBondContact O-CB 3.42Å; C180-A184 PolarHBondContact O-N 3.23Å |
| 181 | F | 97.1 | Very high | 95.7 | Very high | 81 Ų | 81 | 50.3 Ų | 50.3 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.2 | -58.2 | -177.2 | 173.9 | -104 | 0 | 0 | 0 | 113.4 | L139 A142 F146 T177 A183 A184 V185 | L139-F181 HydrophobicContact CD2-CD1 4.22Å; L139-F181 HydrophobicContact CD2-CE1 3.57Å; L139-F181 HydrophobicContact CD2-CZ 4.2Å; A142-F181 HydrophobicContact CB-CE1 4.45Å; F146-F181 AromaticContact CE2-CD1 3.92Å; F146-F181 HydrophobicContact CE2-CD1 3.92Å; F146-F181 HydrophobicContact CE2-CE1 4.5Å; F146-F181 HydrophobicContact CZ-CB 4.04Å; F146-F181 AromaticContact CZ-CD1 3.69Å; F146-F181 HydrophobicContact CZ-CD1 3.69Å; F146-F181 HydrophobicContact CZ-CE1 4.37Å; F146-F181 AromaticContact CZ-CG 3.94Å; F146-F181 HydrophobicContact CZ-CG 3.94Å; T177-F181 HydrophobicContact CG2-CB 4.14Å; T177-F181 WeakPolarHBondContact O-CB 3.44Å; T177-F181 PolarHBondContact O-N 3.41Å; F181-A183 VanDerWaalsContact C-N 3.27Å; F181-A183 PolarHBondContact O-N 3.24Å; F181-A184 PolarHBondContact O-N 2.84Å; F181-V185 HydrophobicContact CD2-CG2 4.29Å; F181-V185 HydrophobicContact CE1-CG2 4.39Å; F181-V185 HydrophobicContact CE2-CG2 3.92Å; F181-V185 HydrophobicContact CZ-CG2 3.98Å; F181-V185 WeakPolarHBondContact O-CG2 3.07Å; F181-V185 PolarHBondContact O-N 3.01Å |
| 182 | P | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -30.3 | -178.3 | 32.4 | -40.2 | 0 | 0 | 0 | 111.6 | L139 I178 V185 V186 L201 H204 | L139-P182 HydrophobicContact CD1-CB 4.45Å; L139-P182 HydrophobicContact CD2-CB 4.46Å; I178-P182 WeakPolarHBondContact O-CD 3.36Å; I178-P182 WeakPolarHBondContact O-CG 3.36Å; P182-V185 PolarHBondContact O-N 3.2Å; P182-V186 WeakPolarHBondContact O-CB 3.21Å; P182-V186 WeakPolarHBondContact O-CG2 3.31Å; P182-V186 PolarHBondContact O-N 3.11Å; P182-L201 HydrophobicContact CB-CD2 3.9Å; P182-L201 HydrophobicContact CG-CD2 4.12Å; P182-H204 HydrophobicContact CB-CB 4.49Å; P182-H204 HydrophobicContact CG-CB 3.83Å |
| 183 | A | 96 | Very high | 95.1 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 12% | 0.116 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L179 C180 F181 V186 L187 Y420 V424 | L179-A183 WeakPolarHBondContact O-CB 3.29Å; C180-A183 PolarHBondContact O-N 3.46Å; F181-A183 VanDerWaalsContact C-N 3.27Å; F181-A183 PolarHBondContact O-N 3.24Å; A183-V186 PolarHBondContact O-N 3.42Å; A183-L187 WeakPolarHBondContact O-CB 3.13Å; A183-L187 VanDerWaalsContact O-CG 3.25Å; A183-L187 WeakPolarHBondContact O-CG 3.07Å; A183-L187 PolarHBondContact O-N 3.27Å; A183-L187 VanDerWaalsContact O-N 3.12Å; A183-Y420 HydrophobicContact CB-CE2 3.71Å; A183-V424 HydrophobicContact CB-CG1 4.29Å |
| 184 | A | 96.4 | Very high | 94.8 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | C180 F181 V186 L187 L188 | C180-A184 WeakPolarHBondContact O-CB 3.42Å; C180-A184 PolarHBondContact O-N 3.23Å; F181-A184 PolarHBondContact O-N 2.84Å; A184-V186 PolarHBondContact O-N 3.42Å; A184-L187 PolarHBondContact O-N 3.33Å; A184-L188 WeakPolarHBondContact O-CB 3.34Å; A184-L188 WeakPolarHBondContact O-CG 3.39Å; A184-L188 PolarHBondContact O-N 3.17Å |
| 185 | V | 95.3 | Very high | 94.4 | Very high | 32 Ų | 32 | 53.5 Ų | 53.5 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 179.4 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | L139 F181 P182 L187 L188 V189 | L139-V185 HydrophobicContact CD1-CB 4.23Å; L139-V185 HydrophobicContact CD1-CG1 3.9Å; L139-V185 HydrophobicContact CD2-CB 3.99Å; L139-V185 HydrophobicContact CD2-CG1 3.89Å; L139-V185 HydrophobicContact CD2-CG2 4.09Å; L139-V185 HydrophobicContact CG-CG1 4.13Å; F181-V185 HydrophobicContact CD2-CG2 4.29Å; F181-V185 HydrophobicContact CE1-CG2 4.39Å; F181-V185 HydrophobicContact CE2-CG2 3.92Å; F181-V185 HydrophobicContact CZ-CG2 3.98Å; F181-V185 WeakPolarHBondContact O-CG2 3.07Å; F181-V185 PolarHBondContact O-N 3.01Å; P182-V185 PolarHBondContact O-N 3.2Å; V185-L187 VanDerWaalsContact C-N 3.31Å; V185-L187 PolarHBondContact O-N 2.92Å; V185-L188 PolarHBondContact O-N 3.06Å; V185-V189 HydrophobicContact CG1-CB 4.44Å; V185-V189 HydrophobicContact CG1-CG2 3.8Å; V185-V189 WeakPolarHBondContact O-CB 3.34Å; V185-V189 WeakPolarHBondContact O-CG2 3.44Å; V185-V189 PolarHBondContact O-N 2.92Å |
| 186 | V | 94.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 178.4 | 162.2 | 0 | 0 | 0 | 0 | 112.6 | L139 P182 A183 A184 I192 S197 L201 V424 R427 | L139-V186 HydrophobicContact CD1-CG2 4.28Å; P182-V186 WeakPolarHBondContact O-CB 3.21Å; P182-V186 WeakPolarHBondContact O-CG2 3.31Å; P182-V186 PolarHBondContact O-N 3.11Å; A183-V186 PolarHBondContact O-N 3.42Å; A184-V186 PolarHBondContact O-N 3.42Å; V186-I192 HydrophobicContact CG2-CD1 3.89Å; V186-S197 WeakPolarHBondContact CG1-OG 3.25Å; V186-S197 WeakPolarHBondContact CG2-OG 3.45Å; V186-L201 HydrophobicContact CG2-CD2 4.21Å; V186-L201 HydrophobicContact CG2-CG 4.41Å; V186-V424 HydrophobicContact CB-CG1 4.32Å; V186-V424 HydrophobicContact CG1-CG1 3.88Å; V186-R427 PolarHBondContact O-NH2 3.34Å |
| 187 | L | 94.3 | Very high | 93.9 | Very high | 66 Ų | 66 | 51.2 Ų | 51.2 | 35% | 0.346 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -76.9 | -34.4 | -177.9 | -68.4 | 174.3 | 0 | 0 | 0 | 112.2 | A183 A184 V185 V424 R427 F429 | A183-L187 WeakPolarHBondContact O-CB 3.13Å; A183-L187 VanDerWaalsContact O-CG 3.25Å; A183-L187 WeakPolarHBondContact O-CG 3.07Å; A183-L187 PolarHBondContact O-N 3.27Å; A183-L187 VanDerWaalsContact O-N 3.12Å; A184-L187 PolarHBondContact O-N 3.33Å; V185-L187 VanDerWaalsContact C-N 3.31Å; V185-L187 PolarHBondContact O-N 2.92Å; L187-V424 HydrophobicContact CD1-CG1 4.44Å; L187-V424 HydrophobicContact CD2-CG1 4.14Å; L187-V424 HydrophobicContact CG-CG1 4.05Å; L187-R427 HydrophobicContact CD2-CG 4.14Å; L187-F429 HydrophobicContact CD1-CZ 4.18Å; L187-F429 HydrophobicContact CD2-CE2 4.33Å; L187-F429 HydrophobicContact CD2-CZ 4.01Å |
| 188 | L | 94.4 | Very high | 93.8 | Very high | 139 Ų | 139 | 51.2 Ų | 51.2 | 73% | 0.728 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -89.6 | -31.4 | -175.9 | -62.7 | 174.9 | 0 | 0 | 0 | 113.4 | A184 V185 E190 | A184-L188 WeakPolarHBondContact O-CB 3.34Å; A184-L188 WeakPolarHBondContact O-CG 3.39Å; A184-L188 PolarHBondContact O-N 3.17Å; V185-L188 PolarHBondContact O-N 3.06Å; L188-E190 PolarHBondContact O-N 2.98Å |
| 189 | V | 93 | Very high | 93.7 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 30% | 0.303 | 32% | 0.32 | S | S | . | . | trans | -89.1 | 109.5 | -179.4 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | P135 V185 S191 I192 R427 | P135-V189 HydrophobicContact CB-CG1 4.16Å; P135-V189 HydrophobicContact CG-CG1 4.07Å; V185-V189 HydrophobicContact CG1-CB 4.44Å; V185-V189 HydrophobicContact CG1-CG2 3.8Å; V185-V189 WeakPolarHBondContact O-CB 3.34Å; V185-V189 WeakPolarHBondContact O-CG2 3.44Å; V185-V189 PolarHBondContact O-N 2.92Å; V189-S191 VanDerWaalsContact C-N 3.34Å; V189-S191 VanDerWaalsContact CG1-OG 3.29Å; V189-S191 WeakPolarHBondContact CG1-OG 3.32Å; V189-S191 PolarHBondContact O-N 3.3Å; V189-I192 VanDerWaalsContact O-CG2 3.25Å; V189-I192 WeakPolarHBondContact O-CG2 3.36Å; V189-R427 PolarHBondContact O-NH2 3.46Å | ||
| 190 | E | 87.5 | Confident | 93.7 | Very high | 169 Ų | 169 | 55 Ų | 55 | 79% | 0.79 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -25.5 | -177.6 | -64.8 | -174.8 | 171.2 | 0 | 0 | 114.2 | L188 I192 | L188-E190 PolarHBondContact O-N 2.98Å; E190-I192 PolarHBondContact O-N 2.93Å |
| 191 | S | 88.9 | Confident | 93.7 | Very high | 73 Ų | 73 | 50.9 Ų | 50.9 | 51% | 0.51 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -8 | -177.7 | 60.8 | 0 | 0 | 0 | 0 | 114.6 | V189 | V189-S191 VanDerWaalsContact C-N 3.34Å; V189-S191 VanDerWaalsContact CG1-OG 3.29Å; V189-S191 WeakPolarHBondContact CG1-OG 3.32Å; V189-S191 PolarHBondContact O-N 3.3Å |
| 192 | I | 90.6 | Very high | 93.7 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 9% | 0.087 | 29% | 0.285 | C | S | . | . | trans | -79.4 | 130.3 | -177.6 | -161.5 | 160.6 | 0 | 0 | 0 | 111.6 | P135 A136 L139 V186 V189 E190 | P135-I192 HydrophobicContact CB-CD1 4.37Å; P135-I192 HydrophobicContact CG-CB 3.76Å; P135-I192 HydrophobicContact CG-CD1 4.21Å; P135-I192 HydrophobicContact CG-CG1 3.98Å; A136-I192 HydrophobicContact CB-CD1 4.09Å; A136-I192 HydrophobicContact CB-CG1 4.23Å; L139-I192 HydrophobicContact CD1-CD1 4.1Å; V186-I192 HydrophobicContact CG2-CD1 3.89Å; V189-I192 VanDerWaalsContact O-CG2 3.25Å; V189-I192 WeakPolarHBondContact O-CG2 3.36Å; E190-I192 PolarHBondContact O-N 2.93Å | ||
| 193 | T | 91.8 | Very high | 93.7 | Very high | 79 Ų | 79 | 52.6 Ų | 52.6 | 49% | 0.485 | 30% | 0.302 | S | S | . | . | trans | -76.1 | 150.5 | 175.5 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | V195 G196 S197 | T193-V195 VanDerWaalsContact C-N 3.34Å; T193-V195 PolarHBondContact O-N 2.98Å; T193-G196 PolarHBondContact O-N 3.49Å; T193-G196 PolarHBondContact OG1-N 3.37Å; T193-S197 VanDerWaalsContact O-CB 3.31Å; T193-S197 WeakPolarHBondContact O-CB 3.44Å; T193-S197 PolarHBondContact O-N 2.92Å | ||
| 194 | P | 90.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 52 Ų | 52 | 21% | 0.214 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -41.2 | 179.8 | -20.1 | 26.8 | 0 | 0 | 0 | 113.2 | S197 L198 P425 L426 Y479 | P194-S197 WeakPolarHBondContact O-CB 3.39Å; P194-S197 PolarHBondContact O-N 3.49Å; P194-L198 WeakPolarHBondContact O-CB 3.33Å; P194-L198 PolarHBondContact O-N 2.99Å; P194-P425 WeakPolarHBondContact O-CB 3.36Å; P194-L426 HydrophobicContact CB-CD2 4.05Å; P194-Y479 HydrophobicContact CG-CE1 3.91Å; P194-Y479 HydrophobicContact CG-CE2 3.93Å; P194-Y479 WeakPolarHBondContact CG-OH 3.37Å |
| 195 | V | 89.8 | Confident | 93.9 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 59% | 0.594 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -68.2 | -39.8 | 177.6 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | T193 S197 L198 L199 | T193-V195 VanDerWaalsContact C-N 3.34Å; T193-V195 PolarHBondContact O-N 2.98Å; V195-S197 VanDerWaalsContact C-N 3.34Å; V195-L198 PolarHBondContact O-N 3.31Å; V195-L199 WeakPolarHBondContact O-CG 3.3Å; V195-L199 PolarHBondContact O-N 3.09Å |
| 196 | G | 91.4 | Very high | 94 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A136 T193 L199 A200 | A136-G196 WeakPolarHBondContact CB-O 3.43Å; T193-G196 PolarHBondContact O-N 3.49Å; T193-G196 PolarHBondContact OG1-N 3.37Å; G196-L199 PolarHBondContact O-N 3.3Å; G196-A200 PolarHBondContact O-N 2.94Å |
| 197 | S | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 172.7 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | V186 T193 P194 V195 L199 A200 L201 P425 | V186-S197 WeakPolarHBondContact CG1-OG 3.25Å; V186-S197 WeakPolarHBondContact CG2-OG 3.45Å; T193-S197 VanDerWaalsContact O-CB 3.31Å; T193-S197 WeakPolarHBondContact O-CB 3.44Å; T193-S197 PolarHBondContact O-N 2.92Å; P194-S197 WeakPolarHBondContact O-CB 3.39Å; P194-S197 PolarHBondContact O-N 3.49Å; V195-S197 VanDerWaalsContact C-N 3.34Å; S197-L199 VanDerWaalsContact C-N 3.32Å; S197-L199 PolarHBondContact O-N 3.34Å; S197-A200 PolarHBondContact O-N 3.2Å; S197-A200 VanDerWaalsContact O-N 3.14Å; S197-L201 WeakPolarHBondContact O-CG 3.48Å; S197-L201 PolarHBondContact O-N 3.48Å; S197-P425 WeakPolarHBondContact OG-CA 3.37Å; S197-P425 WeakPolarHBondContact OG-CB 3.47Å |
| 198 | L | 95 | Very high | 94.4 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 33% | 0.33 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.4 | -46.7 | 176.3 | 176.1 | 64.5 | 0 | 0 | 0 | 111.6 | P194 V195 A200 L201 M202 L421 P425 | P194-L198 WeakPolarHBondContact O-CB 3.33Å; P194-L198 PolarHBondContact O-N 2.99Å; V195-L198 PolarHBondContact O-N 3.31Å; L198-A200 PolarHBondContact O-N 3.48Å; L198-L201 PolarHBondContact O-N 2.77Å; L198-M202 HydrophobicContact CD1-CG 4.19Å; L198-M202 HydrophobicContact CD1-SD 4.41Å; L198-M202 HydrophobicContact CG-CE 4.05Å; L198-M202 HydrophobicContact CG-SD 4.47Å; L198-M202 WeakPolarHBondContact O-CB 3.28Å; L198-M202 VanDerWaalsContact O-CG 3.3Å; L198-M202 WeakPolarHBondContact O-CG 3.47Å; L198-M202 PolarHBondContact O-N 3.38Å; L198-L421 HydrophobicContact CD1-CB 4.34Å; L198-L421 WeakPolarHBondContact CD1-O 3.47Å; L198-P425 HydrophobicContact CB-CB 4.3Å; L198-P425 HydrophobicContact CB-CG 4.09Å; L198-P425 HydrophobicContact CD1-CG 4.42Å |
| 199 | L | 95 | Very high | 94.6 | Very high | 98 Ų | 98 | 45.4 Ų | 45.4 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 177.1 | -68.7 | 174 | 0 | 0 | 0 | 111.8 | V195 G196 S197 M202 V203 | V195-L199 WeakPolarHBondContact O-CG 3.3Å; V195-L199 PolarHBondContact O-N 3.09Å; G196-L199 PolarHBondContact O-N 3.3Å; S197-L199 VanDerWaalsContact C-N 3.32Å; S197-L199 PolarHBondContact O-N 3.34Å; L199-M202 HydrophobicContact CD2-CE 3.7Å; L199-M202 PolarHBondContact O-N 3.03Å; L199-V203 WeakPolarHBondContact O-CG2 3.25Å; L199-V203 PolarHBondContact O-N 2.71Å |
| 200 | A | 96.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L139 V140 G196 S197 L198 V203 H204 | L139-A200 HydrophobicContact CB-CB 4.08Å; L139-A200 HydrophobicContact CD1-CB 4.09Å; V140-A200 HydrophobicContact CG2-CB 4.48Å; G196-A200 PolarHBondContact O-N 2.94Å; S197-A200 PolarHBondContact O-N 3.2Å; S197-A200 VanDerWaalsContact O-N 3.14Å; L198-A200 PolarHBondContact O-N 3.48Å; A200-V203 PolarHBondContact O-N 2.81Å; A200-H204 PolarHBondContact O-N 3.31Å; A200-H204 PolarHBondContact O-ND1 2.99Å |
| 201 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.3 | -37.5 | 178.1 | -63.4 | -176.4 | 0 | 0 | 0 | 112.5 | P182 V186 S197 L198 H204 T205 Y420 L421 V424 P425 | P182-L201 HydrophobicContact CB-CD2 3.9Å; P182-L201 HydrophobicContact CG-CD2 4.12Å; V186-L201 HydrophobicContact CG2-CD2 4.21Å; V186-L201 HydrophobicContact CG2-CG 4.41Å; S197-L201 WeakPolarHBondContact O-CG 3.48Å; S197-L201 PolarHBondContact O-N 3.48Å; L198-L201 PolarHBondContact O-N 2.77Å; L201-H204 PolarHBondContact O-N 2.7Å; L201-T205 WeakPolarHBondContact O-CB 3.23Å; L201-T205 PolarHBondContact O-N 3.04Å; L201-T205 PolarHBondContact O-OG1 3.41Å; L201-Y420 HydrophobicContact CB-CE1 4Å; L201-Y420 HydrophobicContact CD1-CE1 4.29Å; L201-Y420 HydrophobicContact CD2-CE1 4.07Å; L201-Y420 WeakPolarHBondContact CD2-OH 3.17Å; L201-Y420 HydrophobicContact CG-CE1 4.35Å; L201-L421 HydrophobicContact CB-CD2 3.78Å; L201-V424 HydrophobicContact CD1-CB 3.75Å; L201-V424 HydrophobicContact CD1-CG1 3.75Å; L201-P425 HydrophobicContact CD1-CG 3.62Å |
| 202 | M | 97.1 | Very high | 95.8 | Very high | 60 Ų | 60 | 34 Ų | 34 | 30% | 0.296 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 173.2 | -77.7 | -166.2 | -59.7 | 0 | 0 | 111.2 | L198 L199 H204 T205 I206 L421 | L198-M202 HydrophobicContact CD1-CG 4.19Å; L198-M202 HydrophobicContact CD1-SD 4.41Å; L198-M202 HydrophobicContact CG-CE 4.05Å; L198-M202 HydrophobicContact CG-SD 4.47Å; L198-M202 WeakPolarHBondContact O-CB 3.28Å; L198-M202 VanDerWaalsContact O-CG 3.3Å; L198-M202 WeakPolarHBondContact O-CG 3.47Å; L198-M202 PolarHBondContact O-N 3.38Å; L199-M202 HydrophobicContact CD2-CE 3.7Å; L199-M202 PolarHBondContact O-N 3.03Å; M202-H204 PolarHBondContact O-N 2.8Å; M202-T205 PolarHBondContact O-N 2.92Å; M202-I206 WeakPolarHBondContact O-CB 3.43Å; M202-I206 VanDerWaalsContact O-CG1 3.28Å; M202-I206 WeakPolarHBondContact O-CG1 3.35Å; M202-I206 PolarHBondContact O-N 3.24Å; M202-L421 HydrophobicContact CB-CD2 4.49Å; M202-L421 HydrophobicContact CG-CD1 4.3Å; M202-L421 HydrophobicContact CG-CD2 3.85Å |
| 203 | V | 97.5 | Very high | 96.2 | Very high | 57 Ų | 57 | 33.1 Ų | 33.1 | 35% | 0.345 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 176.6 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | V140 L199 A200 I206 L207 | V140-V203 HydrophobicContact CG1-CG1 4.38Å; V140-V203 HydrophobicContact CG2-CB 4.47Å; V140-V203 HydrophobicContact CG2-CG2 4.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.25Å; L199-V203 PolarHBondContact O-N 2.71Å; A200-V203 PolarHBondContact O-N 2.81Å; V203-I206 PolarHBondContact O-N 3.19Å; V203-L207 WeakPolarHBondContact O-CB 3.29Å; V203-L207 PolarHBondContact O-N 2.95Å |
| 204 | H | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.3 | -36.7 | 178.8 | -75.3 | 78 | 0 | 0 | 0 | 112.6 | L139 I178 P182 A200 L201 M202 L207 F208 | L139-H204 PolarHBondContact O-CE1 2.94Å; I178-H204 HydrophobicContact CG2-CB 4.18Å; I178-H204 VanDerWaalsContact CG2-O 3.25Å; I178-H204 WeakPolarHBondContact CG2-O 3.37Å; P182-H204 HydrophobicContact CB-CB 4.49Å; P182-H204 HydrophobicContact CG-CB 3.83Å; A200-H204 PolarHBondContact O-N 3.31Å; A200-H204 PolarHBondContact O-ND1 2.99Å; L201-H204 PolarHBondContact O-N 2.7Å; M202-H204 PolarHBondContact O-N 2.8Å; H204-L207 PolarHBondContact O-N 3.43Å; H204-F208 WeakPolarHBondContact O-CB 3.36Å; H204-F208 PolarHBondContact O-N 2.92Å |
| 205 | T | 98.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 29.3 Ų | 29.3 | 6% | 0.055 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.7 | -46.2 | 174.5 | -60.1 | 0 | 0 | 0 | 0 | 111 | L201 M202 L207 F208 L209 F417 | L201-T205 WeakPolarHBondContact O-CB 3.23Å; L201-T205 PolarHBondContact O-N 3.04Å; L201-T205 PolarHBondContact O-OG1 3.41Å; M202-T205 PolarHBondContact O-N 2.92Å; T205-L207 VanDerWaalsContact C-N 3.32Å; T205-L207 PolarHBondContact O-N 2.98Å; T205-F208 WeakPolarHBondContact O-CB 3.4Å; T205-F208 PolarHBondContact O-N 2.66Å; T205-L209 HydrophobicContact CG2-CD1 4.39Å; T205-L209 WeakPolarHBondContact O-CG 3.47Å; T205-L209 PolarHBondContact O-N 2.86Å; T205-F417 HydrophobicContact CG2-CD1 3.44Å; T205-F417 VanDerWaalsContact CG2-CD1 3.44Å; T205-F417 HydrophobicContact CG2-CE1 3.55Å; T205-F417 HydrophobicContact CG2-CG 4.21Å; T205-F417 HydrophobicContact CG2-CZ 4.39Å |
| 206 | I | 98.3 | Very high | 97.1 | Very high | 80 Ų | 80 | 25 Ų | 25 | 41% | 0.41 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 175.1 | -70.3 | 166.3 | 0 | 0 | 0 | 110.3 | M202 V203 L209 K210 L264 | M202-I206 WeakPolarHBondContact O-CB 3.43Å; M202-I206 VanDerWaalsContact O-CG1 3.28Å; M202-I206 WeakPolarHBondContact O-CG1 3.35Å; M202-I206 PolarHBondContact O-N 3.24Å; V203-I206 PolarHBondContact O-N 3.19Å; I206-L209 PolarHBondContact O-N 3.4Å; I206-K210 HydrophobicContact CG2-CD 3.87Å; I206-K210 HydrophobicContact CG2-CG 4.41Å; I206-K210 WeakPolarHBondContact O-CB 3.2Å; I206-K210 VanDerWaalsContact O-CG 3.3Å; I206-K210 WeakPolarHBondContact O-CG 3.42Å; I206-K210 PolarHBondContact O-N 3.02Å; I206-L264 HydrophobicContact CG2-CD2 3.99Å |
| 207 | L | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 7% | 0.068 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 177.1 | -178.8 | 63.4 | 0 | 0 | 0 | 111.6 | A143 F146 A147 V203 H204 T205 L209 K210 L211 L259 | A143-L207 HydrophobicContact CB-CD2 3.84Å; A143-L207 VanDerWaalsContact O-CD2 3.25Å; A143-L207 WeakPolarHBondContact O-CD2 3.32Å; F146-L207 HydrophobicContact CB-CD2 4.35Å; A147-L207 HydrophobicContact CB-CD1 4.2Å; V203-L207 WeakPolarHBondContact O-CB 3.29Å; V203-L207 PolarHBondContact O-N 2.95Å; H204-L207 PolarHBondContact O-N 3.43Å; T205-L207 VanDerWaalsContact C-N 3.32Å; T205-L207 PolarHBondContact O-N 2.98Å; L207-L209 PolarHBondContact O-N 3.33Å; L207-K210 PolarHBondContact O-N 3.16Å; L207-L211 HydrophobicContact CD1-CD1 3.81Å; L207-L211 HydrophobicContact CD1-CD2 4.33Å; L207-L211 HydrophobicContact CD1-CG 3.8Å; L207-L211 HydrophobicContact CD2-CD1 4.43Å; L207-L211 HydrophobicContact CG-CD1 3.88Å; L207-L211 HydrophobicContact CG-CG 4.19Å; L207-L211 WeakPolarHBondContact O-CB 3.26Å; L207-L211 WeakPolarHBondContact O-CG 3.45Å; L207-L211 PolarHBondContact O-N 3.09Å; L207-L259 HydrophobicContact CD1-CD2 3.52Å |
| 208 | F | 98.6 | Very high | 97.4 | Very high | 29 Ų | 29 | 24.8 Ų | 24.8 | 13% | 0.127 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.4 | -51.5 | 174.9 | 167.1 | -91.8 | 0 | 0 | 0 | 111.3 | L175 I178 L179 H204 T205 K210 L211 F212 F417 | L175-F208 HydrophobicContact CB-CD2 4Å; L175-F208 HydrophobicContact CB-CE2 3.84Å; L175-F208 HydrophobicContact CD2-CD2 3.87Å; L175-F208 HydrophobicContact CD2-CE2 4.25Å; L175-F208 WeakPolarHBondContact O-CD2 2.85Å; I178-F208 HydrophobicContact CG2-CB 3.89Å; L179-F208 HydrophobicContact CD1-CD1 4.4Å; L179-F208 HydrophobicContact CD1-CD2 3.82Å; L179-F208 HydrophobicContact CD1-CE1 4.39Å; L179-F208 HydrophobicContact CD1-CE2 3.77Å; L179-F208 HydrophobicContact CD1-CG 4.14Å; L179-F208 HydrophobicContact CD1-CZ 4.09Å; L179-F208 HydrophobicContact CD2-CB 3.92Å; L179-F208 HydrophobicContact CD2-CD1 4.48Å; L179-F208 HydrophobicContact CD2-CD2 4.23Å; L179-F208 HydrophobicContact CD2-CG 3.97Å; L179-F208 HydrophobicContact CG-CB 4.4Å; L179-F208 HydrophobicContact CG-CD2 3.82Å; L179-F208 HydrophobicContact CG-CE2 4.26Å; L179-F208 HydrophobicContact CG-CG 4.08Å; H204-F208 WeakPolarHBondContact O-CB 3.36Å; H204-F208 PolarHBondContact O-N 2.92Å; T205-F208 WeakPolarHBondContact O-CB 3.4Å; T205-F208 PolarHBondContact O-N 2.66Å; F208-K210 VanDerWaalsContact C-N 3.33Å; F208-K210 PolarHBondContact O-N 3.43Å; F208-L211 PolarHBondContact O-N 2.93Å; F208-F212 HydrophobicContact CZ-CD2 4.33Å; F208-F212 WeakPolarHBondContact O-CB 3.31Å; F208-F212 PolarHBondContact O-N 3.34Å; F208-F417 HydrophobicContact CD1-CE1 4.49Å; F208-F417 AromaticContact CD1-CZ 3.84Å; F208-F417 HydrophobicContact CD1-CZ 3.84Å; F208-F417 HydrophobicContact CE1-CE2 4.41Å; F208-F417 AromaticContact CE1-CZ 3.73Å; F208-F417 HydrophobicContact CE1-CZ 3.73Å |
| 209 | L | 98.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 22.6 Ų | 22.6 | 7% | 0.073 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.5 | -41.2 | -179.6 | -63.5 | 174.7 | 0 | 0 | 0 | 111.4 | T205 I206 L207 S213 L264 W387 F417 | T205-L209 HydrophobicContact CG2-CD1 4.39Å; T205-L209 WeakPolarHBondContact O-CG 3.47Å; T205-L209 PolarHBondContact O-N 2.86Å; I206-L209 PolarHBondContact O-N 3.4Å; L207-L209 PolarHBondContact O-N 3.33Å; L209-S213 PolarHBondContact O-N 3.13Å; L209-S213 VanDerWaalsContact O-N 3.16Å; L209-L264 HydrophobicContact CB-CD1 4.42Å; L209-L264 HydrophobicContact CB-CD2 4.29Å; L209-L264 HydrophobicContact CD1-CD1 3.83Å; L209-W387 HydrophobicContact CB-CZ2 4.47Å; L209-W387 HydrophobicContact CD2-CD2 3.98Å; L209-W387 HydrophobicContact CD2-CE3 3.92Å; L209-W387 HydrophobicContact CD2-CH2 3.45Å; L209-W387 VanDerWaalsContact CD2-CH2 3.45Å; L209-W387 HydrophobicContact CD2-CZ2 3.46Å; L209-W387 VanDerWaalsContact CD2-CZ2 3.46Å; L209-W387 HydrophobicContact CD2-CZ3 3.68Å; L209-W387 PolarHBondContact O-NE1 3.38Å; L209-F417 HydrophobicContact CD2-CE2 4.48Å |
| 210 | K | 98.5 | Very high | 97.4 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 3% | 0.03 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.3 | -48.9 | 176.2 | -77.1 | 175 | 176.2 | -78.3 | 0 | 112.3 | I206 L207 F208 F212 S213 Y214 F258 L259 A261 T263 L264 | I206-K210 HydrophobicContact CG2-CD 3.87Å; I206-K210 HydrophobicContact CG2-CG 4.41Å; I206-K210 WeakPolarHBondContact O-CB 3.2Å; I206-K210 VanDerWaalsContact O-CG 3.3Å; I206-K210 WeakPolarHBondContact O-CG 3.42Å; I206-K210 PolarHBondContact O-N 3.02Å; L207-K210 PolarHBondContact O-N 3.16Å; F208-K210 VanDerWaalsContact C-N 3.33Å; F208-K210 PolarHBondContact O-N 3.43Å; K210-F212 VanDerWaalsContact C-N 3.27Å; K210-F212 PolarHBondContact O-N 3.45Å; K210-S213 PolarHBondContact O-N 3.22Å; K210-S213 PolarHBondContact O-OG 3.23Å; K210-Y214 WeakPolarHBondContact O-CB 3.43Å; K210-Y214 PolarHBondContact O-N 2.93Å; K210-F258 HydrophobicContact CB-CE1 3.64Å; K210-F258 HydrophobicContact CB-CZ 3.64Å; K210-F258 HydrophobicContact CG-CE1 4.14Å; K210-F258 HydrophobicContact CG-CE2 4.27Å; K210-F258 HydrophobicContact CG-CZ 3.72Å; K210-F258 PolarHBondContact NZ-O 3.46Å; K210-F258 VanDerWaalsContact O-CE1 3.3Å; K210-F258 WeakPolarHBondContact O-CE1 3.37Å; K210-L259 HydrophobicContact CD-CD2 4.43Å; K210-L259 WeakPolarHBondContact CE-O 3.43Å; K210-L259 PolarHBondContact NZ-O 3.29Å; K210-A261 PolarHBondContact NZ-O 3.47Å; K210-T263 PolarHBondContact NZ-O 2.86Å; K210-L264 HydrophobicContact CG-CD2 4.02Å |
| 211 | L | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.4 | -28.4 | -179.2 | -66.7 | -177.2 | 0 | 0 | 0 | 112.2 | A150 L175 I178 L207 F208 Y214 R215 L259 | A150-L211 HydrophobicContact CB-CD1 3.94Å; A150-L211 HydrophobicContact CB-CD2 3.95Å; A150-L211 HydrophobicContact CB-CG 4.39Å; L175-L211 HydrophobicContact CD2-CB 3.9Å; I178-L211 HydrophobicContact CD1-CD1 3.63Å; L207-L211 HydrophobicContact CD1-CD1 3.81Å; L207-L211 HydrophobicContact CD1-CD2 4.33Å; L207-L211 HydrophobicContact CD1-CG 3.8Å; L207-L211 HydrophobicContact CD2-CD1 4.43Å; L207-L211 HydrophobicContact CG-CD1 3.88Å; L207-L211 HydrophobicContact CG-CG 4.19Å; L207-L211 WeakPolarHBondContact O-CB 3.26Å; L207-L211 WeakPolarHBondContact O-CG 3.45Å; L207-L211 PolarHBondContact O-N 3.09Å; F208-L211 PolarHBondContact O-N 2.93Å; L211-Y214 PolarHBondContact O-N 3.45Å; L211-R215 PolarHBondContact O-N 3.04Å; L211-L259 HydrophobicContact CD2-CD2 4.28Å |
| 212 | F | 98.4 | Very high | 97.1 | Very high | 41 Ų | 41 | 24.6 Ų | 24.6 | 18% | 0.18 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 169.6 | -165.3 | -68.7 | 0 | 0 | 0 | 111 | L175 F208 K210 R215 D216 W387 H391 | L175-F212 HydrophobicContact CD1-CB 4.47Å; L175-F212 HydrophobicContact CD1-CD2 4Å; F208-F212 HydrophobicContact CZ-CD2 4.33Å; F208-F212 WeakPolarHBondContact O-CB 3.31Å; F208-F212 PolarHBondContact O-N 3.34Å; K210-F212 VanDerWaalsContact C-N 3.27Å; K210-F212 PolarHBondContact O-N 3.45Å; F212-R215 PolarHBondContact O-N 3.4Å; F212-D216 WeakPolarHBondContact CE1-OD2 3.18Å; F212-D216 PolarHBondContact O-N 3.36Å; F212-D216 VanDerWaalsContact O-N 3.09Å; F212-W387 HydrophobicContact CB-CZ2 3.98Å; F212-W387 AromaticContact CD1-CZ2 3.94Å; F212-W387 HydrophobicContact CD1-CZ2 3.94Å; F212-W387 HydrophobicContact CD2-CZ2 4.38Å; F212-W387 AromaticContact CG-CZ2 3.85Å; F212-W387 HydrophobicContact CG-CZ2 3.85Å; F212-H391 HydrophobicContact CD1-CB 4.11Å; F212-H391 HydrophobicContact CE1-CB 4.06Å |
| 213 | S | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.4 | -35.3 | 178.9 | 72 | 0 | 0 | 0 | 0 | 112.3 | L209 K210 D216 V217 F258 L264 Y266 H391 | L209-S213 PolarHBondContact O-N 3.13Å; L209-S213 VanDerWaalsContact O-N 3.16Å; K210-S213 PolarHBondContact O-N 3.22Å; K210-S213 PolarHBondContact O-OG 3.23Å; S213-D216 PolarHBondContact O-N 3.34Å; S213-V217 WeakPolarHBondContact O-CB 3.46Å; S213-V217 WeakPolarHBondContact O-CG2 3.45Å; S213-V217 PolarHBondContact O-N 3.25Å; S213-F258 WeakPolarHBondContact OG-CZ 3.41Å; S213-L264 WeakPolarHBondContact CB-O 3.48Å; S213-L264 PolarHBondContact OG-O 2.62Å; S213-Y266 PolarHBondContact OG-N 3.33Å; S213-H391 VanDerWaalsContact CB-NE2 3.31Å; S213-H391 WeakPolarHBondContact CB-NE2 3.07Å |
| 214 | Y | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 173.6 | -172.7 | -101.4 | 0 | 0 | 0 | 111.6 | E154 K210 L211 N218 L250 L255 F258 Y266 | E154-Y214 HydrophobicContact CB-CE1 4.17Å; E154-Y214 HydrophobicContact CG-CD1 4.18Å; E154-Y214 HydrophobicContact CG-CE1 3.76Å; K210-Y214 WeakPolarHBondContact O-CB 3.43Å; K210-Y214 PolarHBondContact O-N 2.93Å; L211-Y214 PolarHBondContact O-N 3.45Å; Y214-N218 WeakPolarHBondContact CE1-ND2 3.1Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.25Å; Y214-N218 WeakPolarHBondContact O-CB 3.03Å; Y214-N218 PolarHBondContact O-N 3.37Å; Y214-N218 VanDerWaalsContact O-N 3.15Å; Y214-N218 PolarHBondContact O-ND2 3.41Å; Y214-L250 VanDerWaalsContact OH-CD2 3.3Å; Y214-L250 WeakPolarHBondContact OH-CD2 3.36Å; Y214-L255 HydrophobicContact CD2-CD1 4.31Å; Y214-L255 HydrophobicContact CE1-CD1 4.31Å; Y214-L255 HydrophobicContact CE2-CD1 4Å; Y214-F258 HydrophobicContact CD2-CD1 4.28Å; Y214-Y266 AromaticContact CD2-CD1 3.65Å; Y214-Y266 HydrophobicContact CD2-CD1 3.65Å; Y214-Y266 AromaticContact CD2-CD2 3.88Å; Y214-Y266 HydrophobicContact CD2-CD2 3.88Å; Y214-Y266 AromaticContact CD2-CE1 3.69Å; Y214-Y266 HydrophobicContact CD2-CE1 3.69Å; Y214-Y266 AromaticContact CD2-CE2 3.89Å; Y214-Y266 HydrophobicContact CD2-CE2 3.89Å; Y214-Y266 AromaticContact CD2-CG 3.77Å; Y214-Y266 HydrophobicContact CD2-CG 3.77Å; Y214-Y266 AromaticContact CD2-CZ 3.81Å; Y214-Y266 HydrophobicContact CE2-CD1 4.25Å; Y214-Y266 HydrophobicContact CE2-CD2 4.43Å; Y214-Y266 AromaticContact CE2-CE1 3.8Å; Y214-Y266 HydrophobicContact CE2-CE1 3.8Å; Y214-Y266 AromaticContact CE2-CE2 3.98Å; Y214-Y266 HydrophobicContact CE2-CE2 3.98Å; Y214-Y266 AromaticContact CE2-CZ 3.65Å; Y214-Y266 HydrophobicContact CG-CD1 4.42Å |
| 215 | R | 97 | Very high | 96.1 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 12% | 0.117 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.3 | -51.3 | 174.7 | -173.7 | -149.8 | 85.3 | -159.4 | 5.2 | 111.7 | E154 H171 L211 F212 V217 L219 | E154-R215 WeakPolarHBondContact OE1-CA 3.44Å; H171-R215 HydrophobicContact CB-CG 4.2Å; L211-R215 PolarHBondContact O-N 3.04Å; F212-R215 PolarHBondContact O-N 3.4Å; R215-V217 PolarHBondContact O-N 3.25Å; R215-L219 VanDerWaalsContact O-CB 3.23Å; R215-L219 WeakPolarHBondContact O-CB 3.4Å; R215-L219 PolarHBondContact O-N 2.95Å |
| 216 | D | 96.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.1 | -47.8 | -175.7 | -95.9 | -3.4 | 0 | 0 | 0 | 112.2 | F212 S213 L219 W220 H391 | F212-D216 WeakPolarHBondContact CE1-OD2 3.18Å; F212-D216 PolarHBondContact O-N 3.36Å; F212-D216 VanDerWaalsContact O-N 3.09Å; S213-D216 PolarHBondContact O-N 3.34Å; D216-L219 PolarHBondContact O-N 3.36Å; D216-W220 HydrophobicContact CB-CH2 4.44Å; D216-W220 HydrophobicContact CB-CZ2 3.83Å; D216-W220 PolarHBondContact O-N 2.98Å; D216-W220 PolarHBondContact O-NE1 2.78Å; D216-H391 WeakPolarHBondContact CB-ND1 3.38Å; D216-H391 IonicContact OD2-CE1 3.21Å; D216-H391 IonicContact OD2-CG 3.62Å; D216-H391 IonicContact OD2-ND1 3.67Å; D216-H391 PolarHBondContact OD2-ND1 2.89Å |
| 217 | V | 96.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.3 | -41.6 | -175.6 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | S213 R215 L219 W220 C221 Y266 L268 | S213-V217 WeakPolarHBondContact O-CB 3.46Å; S213-V217 WeakPolarHBondContact O-CG2 3.45Å; S213-V217 PolarHBondContact O-N 3.25Å; R215-V217 PolarHBondContact O-N 3.25Å; V217-L219 VanDerWaalsContact C-N 3.35Å; V217-L219 PolarHBondContact O-N 2.69Å; V217-W220 HydrophobicContact CG2-CE3 4.18Å; V217-W220 HydrophobicContact CG2-CZ3 4.12Å; V217-W220 PolarHBondContact O-N 2.92Å; V217-C221 PolarHBondContact O-N 2.79Å; V217-C221 PolarHBondContact O-SG 3.1Å; V217-C221 VanDerWaalsContact O-SG 3.37Å; V217-Y266 HydrophobicContact CB-CD1 3.89Å; V217-Y266 HydrophobicContact CG1-CD1 3.81Å; V217-Y266 HydrophobicContact CG1-CE1 4.28Å; V217-Y266 WeakPolarHBondContact CG2-O 3.41Å; V217-L268 HydrophobicContact CG1-CD1 3.79Å |
| 218 | N | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 174.5 | -75.9 | -59.7 | 0 | 0 | 0 | 112 | E154 Y214 W220 C221 R222 N249 | E154-N218 HydrophobicContact CG-CB 4.45Å; Y214-N218 WeakPolarHBondContact CE1-ND2 3.1Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.25Å; Y214-N218 WeakPolarHBondContact O-CB 3.03Å; Y214-N218 PolarHBondContact O-N 3.37Å; Y214-N218 VanDerWaalsContact O-N 3.15Å; Y214-N218 PolarHBondContact O-ND2 3.41Å; N218-W220 VanDerWaalsContact C-N 3.35Å; N218-W220 PolarHBondContact O-N 3.18Å; N218-C221 PolarHBondContact O-N 2.63Å; N218-R222 VanDerWaalsContact O-CB 3.28Å; N218-R222 WeakPolarHBondContact O-CB 3.15Å; N218-R222 PolarHBondContact O-N 2.77Å; N218-N249 PolarHBondContact OD1-ND2 2.86Å |
| 219 | L | 94.9 | Very high | 94.2 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 172.6 | 176.4 | 65 | 0 | 0 | 0 | 111.9 | E164 R215 D216 V217 R222 R223 | E164-L219 WeakPolarHBondContact OE2-CD1 3.47Å; R215-L219 VanDerWaalsContact O-CB 3.23Å; R215-L219 WeakPolarHBondContact O-CB 3.4Å; R215-L219 PolarHBondContact O-N 2.95Å; D216-L219 PolarHBondContact O-N 3.36Å; V217-L219 VanDerWaalsContact C-N 3.35Å; V217-L219 PolarHBondContact O-N 2.69Å; L219-R222 PolarHBondContact O-N 2.85Å; L219-R223 HydrophobicContact CD1-CG 4.29Å; L219-R223 WeakPolarHBondContact O-CB 3.28Å; L219-R223 WeakPolarHBondContact O-CG 3.36Å; L219-R223 PolarHBondContact O-N 3.48Å |
| 220 | W | 95 | Very high | 93.6 | Very high | 83 Ų | 83 | 49.4 Ų | 49.4 | 31% | 0.314 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 178.6 | -58 | -11.4 | 0 | 0 | 0 | 111.4 | D216 V217 N218 R223 A224 R390 H391 | D216-W220 HydrophobicContact CB-CH2 4.44Å; D216-W220 HydrophobicContact CB-CZ2 3.83Å; D216-W220 PolarHBondContact O-N 2.98Å; D216-W220 PolarHBondContact O-NE1 2.78Å; V217-W220 HydrophobicContact CG2-CE3 4.18Å; V217-W220 HydrophobicContact CG2-CZ3 4.12Å; V217-W220 PolarHBondContact O-N 2.92Å; N218-W220 VanDerWaalsContact C-N 3.35Å; N218-W220 PolarHBondContact O-N 3.18Å; W220-R223 PolarHBondContact O-N 3Å; W220-A224 WeakPolarHBondContact O-CB 3.36Å; W220-A224 PolarHBondContact O-N 3.25Å; W220-R390 HydrophobicContact CH2-CG 3.99Å; W220-R390 HydrophobicContact CZ3-CG 4.37Å; W220-H391 AromaticContact CH2-CE1 3.74Å; W220-H391 AromaticContact CH2-ND1 3.92Å |
| 221 | C | 93.7 | Very high | 92.9 | Very high | 33 Ų | 33 | 52 Ų | 52 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176 | -71.5 | 0 | 0 | 0 | 0 | 112.2 | V217 N218 A224 R225 Y246 | V217-C221 PolarHBondContact O-N 2.79Å; V217-C221 PolarHBondContact O-SG 3.1Å; V217-C221 VanDerWaalsContact O-SG 3.37Å; N218-C221 PolarHBondContact O-N 2.63Å; C221-A224 PolarHBondContact O-N 3.33Å; C221-R225 WeakPolarHBondContact O-CB 3.3Å; C221-R225 PolarHBondContact O-N 3.39Å; C221-Y246 HydrophobicContact CB-CD2 4.12Å; C221-Y246 HydrophobicContact CB-CG 3.98Å |
| 222 | R | 93.2 | Very high | 91.6 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 177.4 | -175.2 | 169.1 | 57.8 | -113.9 | 6.1 | 111.9 | E154 E164 N218 L219 R225 A226 Y246 | E154-R222 IonicContact OE2-CZ 3.8Å; E154-R222 IonicContact OE2-NH1 3.92Å; E154-R222 PolarHBondContact OE2-NH1 3.34Å; E164-R222 IonicContact OE1-CZ 2.68Å; E164-R222 IonicContact OE1-NE 3.83Å; E164-R222 PolarHBondContact OE1-NE 2.72Å; E164-R222 IonicContact OE1-NH2 2.88Å; E164-R222 IonicContact OE2-CZ 2.67Å; E164-R222 IonicContact OE2-NE 3.34Å; E164-R222 IonicContact OE2-NH2 3.56Å; E164-R222 PolarHBondContact OE2-NH2 2.97Å; N218-R222 VanDerWaalsContact O-CB 3.28Å; N218-R222 WeakPolarHBondContact O-CB 3.15Å; N218-R222 PolarHBondContact O-N 2.77Å; L219-R222 PolarHBondContact O-N 2.85Å; R222-R225 PolarHBondContact O-N 3.35Å; R222-A226 PolarHBondContact O-N 3.18Å; R222-Y246 HydrophobicContact CB-CE1 4.06Å; R222-Y246 WeakPolarHBondContact CD-OH 3.28Å; R222-Y246 HydrophobicContact CG-CE1 4.3Å |
| 223 | R | 92.4 | Very high | 90 | Very high | 155 Ų | 155 | 61 Ų | 61 | 59% | 0.585 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63 | -41.5 | 174.4 | -74 | 178.2 | 179.8 | -178.4 | 0.5 | 112.5 | L219 W220 R225 A226 K227 | L219-R223 HydrophobicContact CD1-CG 4.29Å; L219-R223 WeakPolarHBondContact O-CB 3.28Å; L219-R223 WeakPolarHBondContact O-CG 3.36Å; L219-R223 PolarHBondContact O-N 3.48Å; W220-R223 PolarHBondContact O-N 3Å; R223-R225 VanDerWaalsContact C-N 3.34Å; R223-A226 PolarHBondContact O-N 3.14Å; R223-K227 WeakPolarHBondContact O-CB 3.31Å; R223-K227 PolarHBondContact O-N 3.5Å |
| 224 | A | 91.4 | Very high | 87.9 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 50% | 0.496 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | W220 C221 K227 A228 | W220-A224 WeakPolarHBondContact O-CB 3.36Å; W220-A224 PolarHBondContact O-N 3.25Å; C221-A224 PolarHBondContact O-N 3.33Å; A224-K227 PolarHBondContact O-N 3.42Å; A224-A228 WeakPolarHBondContact O-CB 3.19Å; A224-A228 PolarHBondContact O-N 3.01Å |
| 225 | R | 89.4 | Confident | 85.9 | Confident | 132 Ų | 132 | 75.3 Ų | 75.3 | 50% | 0.498 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 175.1 | -178.3 | 175.9 | 175 | 179.5 | -0.9 | 112.3 | C221 R222 R223 K227 A228 A229 P247 | C221-R225 WeakPolarHBondContact O-CB 3.3Å; C221-R225 PolarHBondContact O-N 3.39Å; R222-R225 PolarHBondContact O-N 3.35Å; R223-R225 VanDerWaalsContact C-N 3.34Å; R225-K227 VanDerWaalsContact C-N 3.32Å; R225-K227 PolarHBondContact O-N 3.32Å; R225-A228 PolarHBondContact O-N 2.78Å; R225-A229 WeakPolarHBondContact O-CB 3.44Å; R225-A229 PolarHBondContact O-N 3.47Å; R225-P247 VanDerWaalsContact NH1-CG 3.31Å |
| 226 | A | 88.6 | Confident | 83.4 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 50% | 0.504 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R222 R223 A229 S230 | R222-A226 PolarHBondContact O-N 3.18Å; R223-A226 PolarHBondContact O-N 3.14Å; A226-A229 PolarHBondContact O-N 3.37Å; A226-S230 PolarHBondContact O-N 3.46Å; A226-S230 PolarHBondContact O-OG 2.88Å |
| 227 | K | 90.6 | Very high | 80.9 | Confident | 159 Ų | 159 | 84.5 Ų | 84.5 | 69% | 0.691 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.9 | -37.5 | 175.8 | -171.9 | 177.6 | -179.3 | 179.3 | 0 | 112.9 | R223 A224 R225 S230 A231 | R223-K227 WeakPolarHBondContact O-CB 3.31Å; R223-K227 PolarHBondContact O-N 3.5Å; A224-K227 PolarHBondContact O-N 3.42Å; R225-K227 VanDerWaalsContact C-N 3.32Å; R225-K227 PolarHBondContact O-N 3.32Å; K227-S230 WeakPolarHBondContact CA-OG 3.22Å; K227-S230 PolarHBondContact O-OG 3.37Å; K227-A231 WeakPolarHBondContact O-CB 3.49Å; K227-A231 PolarHBondContact O-N 2.88Å; K227-A231 VanDerWaalsContact O-N 3.13Å |
| 228 | A | 88.6 | Confident | 78.3 | Confident | 41 Ų | 41 | 88.7 Ų | 88.7 | 34% | 0.339 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A224 R225 A231 G232 K233 | A224-A228 WeakPolarHBondContact O-CB 3.19Å; A224-A228 PolarHBondContact O-N 3.01Å; R225-A228 PolarHBondContact O-N 2.78Å; A228-A231 PolarHBondContact O-N 3.42Å; A228-G232 PolarHBondContact O-N 2.88Å; A228-K233 PolarHBondContact O-N 3.28Å |
| 229 | A | 85.6 | Confident | 76.3 | Confident | 76 Ų | 76 | 92 Ų | 92 | 63% | 0.628 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.3 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R225 A226 A231 G232 | R225-A229 WeakPolarHBondContact O-CB 3.44Å; R225-A229 PolarHBondContact O-N 3.47Å; A226-A229 PolarHBondContact O-N 3.37Å; A229-A231 PolarHBondContact O-N 2.96Å; A229-G232 PolarHBondContact O-N 3.21Å |
| 230 | S | 84.1 | Confident | 74.5 | Confident | 100 Ų | 100 | 94.2 Ų | 94.2 | 70% | 0.699 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66 | -25.4 | 175.8 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | A226 K227 G232 | A226-S230 PolarHBondContact O-N 3.46Å; A226-S230 PolarHBondContact O-OG 2.88Å; K227-S230 WeakPolarHBondContact CA-OG 3.22Å; K227-S230 PolarHBondContact O-OG 3.37Å; S230-G232 VanDerWaalsContact C-N 3.33Å |
| 231 | A | 84.7 | Confident | 72.6 | Confident | 62 Ų | 62 | 96 Ų | 96 | 51% | 0.512 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | 4.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K227 A228 A229 K233 | K227-A231 WeakPolarHBondContact O-CB 3.49Å; K227-A231 PolarHBondContact O-N 2.88Å; K227-A231 VanDerWaalsContact O-N 3.13Å; A228-A231 PolarHBondContact O-N 3.42Å; A229-A231 PolarHBondContact O-N 2.96Å; A231-K233 PolarHBondContact O-N 2.89Å |
| 232 | G | 71.1 | Confident | 71.1 | Confident | 67 Ų | 67 | 102.7 Ų | 102.7 | 69% | 0.691 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.4 | 8.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A228 A229 S230 K234 | A228-G232 PolarHBondContact O-N 2.88Å; A229-G232 PolarHBondContact O-N 3.21Å; S230-G232 VanDerWaalsContact C-N 3.33Å; G232-K234 PolarHBondContact O-N 3.01Å; G232-K234 VanDerWaalsContact O-N 3.11Å |
| 233 | K | 64.4 | Low | 70.7 | Confident | 165 Ų | 165 | 105.1 Ų | 105.1 | 72% | 0.717 | 65% | 0.647 | S | S | * | * | trans | -75.3 | 102.3 | 177.9 | -75.7 | -173.8 | 177.5 | -176.3 | 0 | 108.7 | A228 A231 A235 | A228-K233 PolarHBondContact O-N 3.28Å; A231-K233 PolarHBondContact O-N 2.89Å; K233-A235 PolarHBondContact O-N 2.89Å | ||
| 234 | K | 54.3 | Low | 70.4 | Confident | 203 Ų | 203 | 100.1 Ų | 100.1 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | trans | -56.2 | 126 | 161 | -79.3 | -177.1 | 176.7 | 178 | 0 | 107.4 | G232 S236 | G232-K234 PolarHBondContact O-N 3.01Å; G232-K234 VanDerWaalsContact O-N 3.11Å; K234-S236 PolarHBondContact O-N 3.47Å | ||
| 235 | A | 55.3 | Low | 70.3 | Confident | 98 Ų | 98 | 100.4 Ų | 100.4 | 81% | 0.81 | 63% | 0.632 | S | S | * | * | trans | -52.3 | 115.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | K233 S237 | K233-A235 PolarHBondContact O-N 2.89Å; A235-S237 PolarHBondContact O-N 3.31Å | ||
| 236 | S | 45.1 | Very low | 70.3 | Confident | 107 Ų | 107 | 95.3 Ų | 95.3 | 75% | 0.748 | 61% | 0.613 | S | S | * | * | trans | -62.9 | 115.8 | 178.2 | 65 | 0 | 0 | 0 | 0 | 107.8 | K234 A238 | K234-S236 PolarHBondContact O-N 3.47Å; S236-A238 PolarHBondContact O-N 3.43Å | ||
| 237 | S | 43.9 | Very low | 70.4 | Confident | 125 Ų | 125 | 94.5 Ų | 94.5 | 87% | 0.874 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -74.7 | 41.1 | -177.1 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | A235 A239 | A235-S237 PolarHBondContact O-N 3.31Å; S237-A239 VanDerWaalsContact C-N 3.35Å |
| 238 | A | 43.1 | Very low | 70.4 | Confident | 94 Ų | 94 | 91.9 Ų | 91.9 | 78% | 0.777 | 60% | 0.596 | S | S | * | * | trans | -101.6 | 29.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S236 | S236-A238 PolarHBondContact O-N 3.43Š| ||
| 239 | A | 52.8 | Low | 70.6 | Confident | 69 Ų | 69 | 90 Ų | 90 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | trans | -76.3 | 126.2 | 172 | 0 | 0 | 0 | 0 | 0 | 108.3 | S237 | S237-A239 VanDerWaalsContact C-N 3.35Š| ||
| 240 | A | 56.3 | Low | 71 | Confident | 64 Ų | 64 | 87.4 Ų | 87.4 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | trans | -51 | 147.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | H242 T243 | A240-H242 PolarHBondContact O-N 3.45Å; A240-T243 HydrophobicContact CB-CG2 4.45Å; A240-T243 PolarHBondContact O-N 3.37Å; A240-T243 PolarHBondContact O-OG1 2.86Å | ||
| 241 | P | 55.4 | Low | 71.5 | Confident | 120 Ų | 120 | 85.1 Ų | 85.1 | 78% | 0.779 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 2.2 | -165.5 | 18.9 | -31.3 | 0 | 0 | 0 | 117.1 | ||
| 242 | H | 63.8 | Low | 72.1 | Confident | 175 Ų | 175 | 86.8 Ų | 86.8 | 81% | 0.81 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.5 | 9 | -177.4 | -63.3 | -58.2 | 0 | 0 | 0 | 115.4 | A240 | A240-H242 PolarHBondContact O-N 3.45Š|
| 243 | T | 83.8 | Confident | 73.2 | Confident | 74 Ų | 74 | 93.6 Ų | 93.6 | 45% | 0.454 | 54% | 0.537 | S | S | . | . | trans | -87.5 | 114 | 178.2 | 55 | 0 | 0 | 0 | 0 | 111.2 | A240 | A240-T243 HydrophobicContact CB-CG2 4.45Å; A240-T243 PolarHBondContact O-N 3.37Å; A240-T243 PolarHBondContact O-OG1 2.86Å | ||
| 244 | V | 86.8 | Confident | 74.6 | Confident | 50 Ų | 50 | 87.8 Ų | 87.8 | 30% | 0.303 | 51% | 0.514 | S | S | . | . | trans | -69 | 132.6 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | D248 N249 N269 | V244-D248 HydrophobicContact CG1-CB 4.23Å; V244-N249 HydrophobicContact CG1-CB 3.77Å; V244-N269 WeakPolarHBondContact CB-OD1 3.34Å; V244-N269 PolarHBondContact N-OD1 2.85Å; V244-N269 PolarHBondContact O-ND2 3.38Å | ||
| 245 | S | 89.1 | Confident | 76.6 | Confident | 66 Ų | 66 | 78.1 Ų | 78.1 | 46% | 0.462 | 47% | 0.472 | S | S | . | . | trans | -115.4 | 156.6 | 179.2 | 86 | 0 | 0 | 0 | 0 | 110.9 | D248 | S245-D248 WeakPolarHBondContact O-CA 3.47Å; S245-D248 WeakPolarHBondContact O-CB 3.39Å; S245-D248 PolarHBondContact O-N 3.02Å | ||
| 246 | Y | 89.6 | Confident | 78.7 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 10% | 0.098 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 124.6 | 175.8 | 179.1 | -90 | 0 | 0 | 0 | 110.1 | A158 C221 R222 N249 L250 | A158-Y246 VanDerWaalsContact CA-OH 3.31Å; A158-Y246 WeakPolarHBondContact CA-OH 3.44Å; A158-Y246 VanDerWaalsContact CB-OH 3.24Å; A158-Y246 WeakPolarHBondContact CB-OH 3.38Å; C221-Y246 HydrophobicContact CB-CD2 4.12Å; C221-Y246 HydrophobicContact CB-CG 3.98Å; R222-Y246 HydrophobicContact CB-CE1 4.06Å; R222-Y246 WeakPolarHBondContact CD-OH 3.28Å; R222-Y246 HydrophobicContact CG-CE1 4.3Å; Y246-N249 WeakPolarHBondContact CD2-OD1 3.33Å; Y246-L250 HydrophobicContact CE2-CD1 4.01Å; Y246-L250 HydrophobicContact CE2-CG 4.45Å |
| 247 | P | 89.9 | Confident | 81.2 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 29% | 0.286 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -108.8 | 7.7 | 26.8 | 40.7 | -29.7 | 0 | 0 | 0 | 114.3 | R225 N249 L250 | R225-P247 VanDerWaalsContact NH1-CG 3.31Å; P247-N249 PolarHBondContact O-N 3.28Å; P247-N249 VanDerWaalsContact O-N 3.1Å; P247-L250 HydrophobicContact CB-CD1 4.46Å; P247-L250 WeakPolarHBondContact O-CB 3.45Å; P247-L250 PolarHBondContact O-N 2.82Å |
| 248 | D | 90.6 | Very high | 83.7 | Confident | 104 Ų | 104 | 66.7 Ų | 66.7 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.3 | -172.2 | -52 | -40.4 | 0 | 0 | 0 | 112.6 | V244 S245 L250 T251 | V244-D248 HydrophobicContact CG1-CB 4.23Å; S245-D248 WeakPolarHBondContact O-CA 3.47Å; S245-D248 WeakPolarHBondContact O-CB 3.39Å; S245-D248 PolarHBondContact O-N 3.02Å; D248-L250 PolarHBondContact O-N 3.4Å; D248-T251 WeakPolarHBondContact O-CG2 3.28Å |
| 249 | N | 92.7 | Very high | 86.3 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -12.3 | 173.1 | 72.7 | -65.6 | 0 | 0 | 0 | 114.1 | N218 V244 Y246 P247 T251 Y266 L268 | N218-N249 PolarHBondContact OD1-ND2 2.86Å; V244-N249 HydrophobicContact CG1-CB 3.77Å; Y246-N249 WeakPolarHBondContact CD2-OD1 3.33Å; P247-N249 PolarHBondContact O-N 3.28Å; P247-N249 VanDerWaalsContact O-N 3.1Å; N249-T251 PolarHBondContact O-N 3.36Å; N249-Y266 PolarHBondContact ND2-OH 2.87Å; N249-L268 HydrophobicContact CB-CD2 4.45Å; N249-L268 HydrophobicContact CB-CG 4.19Å |
| 250 | L | 93.6 | Very high | 88.4 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | trans | -82.2 | 61.9 | -178.1 | -62.3 | 177.9 | 0 | 0 | 0 | 111.2 | F151 E154 A158 Y214 Y246 P247 D248 | F151-L250 HydrophobicContact CE2-CB 4.41Å; F151-L250 WeakPolarHBondContact CZ-O 3.36Å; E154-L250 HydrophobicContact CB-CD2 4.18Å; A158-L250 HydrophobicContact CB-CD1 3.35Å; Y214-L250 VanDerWaalsContact OH-CD2 3.3Å; Y214-L250 WeakPolarHBondContact OH-CD2 3.36Å; Y246-L250 HydrophobicContact CE2-CD1 4.01Å; Y246-L250 HydrophobicContact CE2-CG 4.45Å; P247-L250 HydrophobicContact CB-CD1 4.46Å; P247-L250 WeakPolarHBondContact O-CB 3.45Å; P247-L250 PolarHBondContact O-N 2.82Å; D248-L250 PolarHBondContact O-N 3.4Å | ||
| 251 | T | 95.6 | Very high | 90.4 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | trans | -114.1 | 150.8 | 174 | 77.9 | 0 | 0 | 0 | 0 | 111.1 | D248 N249 R253 D254 L255 | D248-T251 WeakPolarHBondContact O-CG2 3.28Å; N249-T251 PolarHBondContact O-N 3.36Å; T251-R253 PolarHBondContact O-N 3.44Å; T251-D254 PolarHBondContact O-N 3.41Å; T251-D254 PolarHBondContact OG1-N 2.98Å; T251-D254 VanDerWaalsContact OG1-N 3.12Å; T251-D254 PolarHBondContact OG1-OD2 2.94Å; T251-L255 PolarHBondContact O-N 2.91Å; T251-L255 VanDerWaalsContact O-N 3.1Å | ||
| 252 | Y | 96 | Very high | 92.4 | Very high | 96 Ų | 96 | 58.2 Ų | 58.2 | 38% | 0.376 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.8 | -33.4 | 173.2 | -79.4 | -72.3 | 0 | 0 | 0 | 112.3 | V148 F151 Q152 L255 Y256 | V148-Y252 HydrophobicContact CG1-CE1 4.31Å; V148-Y252 HydrophobicContact CG2-CE1 4.3Å; F151-Y252 HydrophobicContact CD1-CD1 4.11Å; F151-Y252 AromaticContact CD1-CE1 3.58Å; F151-Y252 HydrophobicContact CD1-CE1 3.58Å; F151-Y252 HydrophobicContact CD1-CE2 4.25Å; F151-Y252 AromaticContact CD1-CZ 3.68Å; F151-Y252 HydrophobicContact CE1-CD1 4.11Å; F151-Y252 AromaticContact CE1-CD2 3.97Å; F151-Y252 HydrophobicContact CE1-CD2 3.97Å; F151-Y252 AromaticContact CE1-CE1 3.79Å; F151-Y252 HydrophobicContact CE1-CE1 3.79Å; F151-Y252 AromaticContact CE1-CE2 3.64Å; F151-Y252 HydrophobicContact CE1-CE2 3.64Å; F151-Y252 HydrophobicContact CE1-CG 4.2Å; F151-Y252 AromaticContact CE1-CZ 3.56Å; F151-Y252 HydrophobicContact CG-CE1 4.3Å; F151-Y252 HydrophobicContact CZ-CD2 4.29Å; F151-Y252 HydrophobicContact CZ-CE2 4.38Å; F151-Y252 HydrophobicContact CZ-CG 4.39Å; Q152-Y252 PolarHBondContact NE2-OH 2.82Å; Y252-L255 HydrophobicContact CD1-CD2 4.48Å; Y252-L255 PolarHBondContact O-N 2.89Å; Y252-Y256 HydrophobicContact CD1-CE2 4.27Å; Y252-Y256 WeakPolarHBondContact O-CB 3.44Å; Y252-Y256 VanDerWaalsContact O-CD2 3.31Å; Y252-Y256 WeakPolarHBondContact O-CD2 3.39Å; Y252-Y256 PolarHBondContact O-N 2.84Å |
| 253 | R | 95.7 | Very high | 93.9 | Very high | 210 Ų | 210 | 50.8 Ų | 50.8 | 79% | 0.792 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.6 | -46.6 | 179 | -175.7 | -179.5 | 179 | -175.4 | -0.8 | 111.3 | T251 Y257 | T251-R253 PolarHBondContact O-N 3.44Å; R253-Y257 VanDerWaalsContact O-CB 3.24Å; R253-Y257 WeakPolarHBondContact O-CB 3.16Å; R253-Y257 PolarHBondContact O-N 3.42Å |
| 254 | D | 94.1 | Very high | 94.6 | Very high | 44 Ų | 44 | 47.9 Ų | 47.9 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.8 | -36.4 | -179 | -61.4 | -33.8 | 0 | 0 | 0 | 111.7 | T251 F258 | T251-D254 PolarHBondContact O-N 3.41Å; T251-D254 PolarHBondContact OG1-N 2.98Å; T251-D254 VanDerWaalsContact OG1-N 3.12Å; T251-D254 PolarHBondContact OG1-OD2 2.94Å; D254-F258 WeakPolarHBondContact O-CB 3.4Å; D254-F258 PolarHBondContact O-N 3.16Å |
| 255 | L | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58 | -58.3 | 171.9 | 177.8 | 72.9 | 0 | 0 | 0 | 110.7 | F151 Y214 T251 Y252 Y257 F258 L259 | F151-L255 HydrophobicContact CB-CD2 3.62Å; F151-L255 HydrophobicContact CD2-CB 4.28Å; F151-L255 HydrophobicContact CD2-CD2 3.97Å; F151-L255 HydrophobicContact CG-CD2 3.93Å; Y214-L255 HydrophobicContact CD2-CD1 4.31Å; Y214-L255 HydrophobicContact CE1-CD1 4.31Å; Y214-L255 HydrophobicContact CE2-CD1 4Å; T251-L255 PolarHBondContact O-N 2.91Å; T251-L255 VanDerWaalsContact O-N 3.1Å; Y252-L255 HydrophobicContact CD1-CD2 4.48Å; Y252-L255 PolarHBondContact O-N 2.89Å; L255-Y257 VanDerWaalsContact C-N 3.28Å; L255-Y257 PolarHBondContact O-N 2.82Å; L255-F258 WeakPolarHBondContact O-CA 3.48Å; L255-F258 WeakPolarHBondContact O-CB 3.42Å; L255-F258 PolarHBondContact O-N 3.49Å; L255-L259 HydrophobicContact CG-CD1 4.23Å; L255-L259 HydrophobicContact CG-CG 4.43Å; L255-L259 WeakPolarHBondContact O-CG 3.39Å; L255-L259 PolarHBondContact O-N 3.36Å |
| 256 | Y | 97.6 | Very high | 95.5 | Very high | 69 Ų | 69 | 43 Ų | 43 | 27% | 0.271 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.9 | -34.6 | -177.6 | -84.6 | -68.4 | 0 | 0 | 0 | 112.3 | N144 Y252 F258 L259 F260 | N144-Y256 VanDerWaalsContact OD1-CE1 3.26Å; N144-Y256 WeakPolarHBondContact OD1-CE1 3.47Å; N144-Y256 PolarHBondContact OD1-OH 3.46Å; Y252-Y256 HydrophobicContact CD1-CE2 4.27Å; Y252-Y256 WeakPolarHBondContact O-CB 3.44Å; Y252-Y256 VanDerWaalsContact O-CD2 3.31Å; Y252-Y256 WeakPolarHBondContact O-CD2 3.39Å; Y252-Y256 PolarHBondContact O-N 2.84Å; Y256-F258 VanDerWaalsContact C-N 3.32Å; Y256-F258 PolarHBondContact O-N 2.84Å; Y256-L259 HydrophobicContact CD1-CD1 3.86Å; Y256-L259 HydrophobicContact CE1-CD1 3.98Å; Y256-L259 PolarHBondContact O-N 3.26Å; Y256-F260 AromaticContact CD1-CE2 3.99Å; Y256-F260 HydrophobicContact CD1-CE2 3.99Å; Y256-F260 WeakPolarHBondContact O-CD2 3.32Å; Y256-F260 PolarHBondContact O-N 2.82Å; Y256-F260 VanDerWaalsContact O-N 3.14Å |
| 257 | Y | 97.6 | Very high | 95.7 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.5 | -49.2 | 169.7 | 178.3 | -94.4 | 0 | 0 | 0 | 111.4 | R253 L255 F260 A261 F270 R272 M356 | R253-Y257 VanDerWaalsContact O-CB 3.24Å; R253-Y257 WeakPolarHBondContact O-CB 3.16Å; R253-Y257 PolarHBondContact O-N 3.42Å; L255-Y257 VanDerWaalsContact C-N 3.28Å; L255-Y257 PolarHBondContact O-N 2.82Å; Y257-F260 PolarHBondContact O-N 3.39Å; Y257-A261 HydrophobicContact CE1-CB 4.14Å; Y257-A261 WeakPolarHBondContact O-CB 3.36Å; Y257-A261 PolarHBondContact O-N 2.87Å; Y257-F270 AromaticContact CD1-CD2 3.83Å; Y257-F270 HydrophobicContact CD1-CD2 3.83Å; Y257-F270 HydrophobicContact CD1-CE2 4.19Å; Y257-F270 HydrophobicContact CE1-CB 4.15Å; Y257-F270 AromaticContact CE1-CD2 3.52Å; Y257-F270 HydrophobicContact CE1-CD2 3.52Å; Y257-F270 HydrophobicContact CE1-CE2 4.18Å; Y257-F270 HydrophobicContact CE1-CG 4.05Å; Y257-R272 VanDerWaalsContact CD2-NH2 3.27Å; Y257-R272 VanDerWaalsContact CE1-CZ 3.47Å; Y257-R272 VanDerWaalsContact CG-NH2 3.3Å; Y257-R272 PolarHBondContact OH-NH1 3.41Å; Y257-M356 HydrophobicContact CD2-CE 3.42Å; Y257-M356 VanDerWaalsContact CD2-CE 3.42Å; Y257-M356 HydrophobicContact CE2-CB 3.97Å; Y257-M356 HydrophobicContact CE2-CE 3.6Å; Y257-M356 WeakPolarHBondContact CE2-O 3.38Å; Y257-M356 HydrophobicContact CG-CE 4.33Å; Y257-M356 PolarHBondContact OH-O 3.31Å |
| 258 | F | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 177.8 | 168.9 | -122.4 | 0 | 0 | 0 | 112.7 | K210 S213 Y214 D254 L255 Y256 F260 A261 T263 Y266 F270 | K210-F258 HydrophobicContact CB-CE1 3.64Å; K210-F258 HydrophobicContact CB-CZ 3.64Å; K210-F258 HydrophobicContact CG-CE1 4.14Å; K210-F258 HydrophobicContact CG-CE2 4.27Å; K210-F258 HydrophobicContact CG-CZ 3.72Å; K210-F258 PolarHBondContact NZ-O 3.46Å; K210-F258 VanDerWaalsContact O-CE1 3.3Å; K210-F258 WeakPolarHBondContact O-CE1 3.37Å; S213-F258 WeakPolarHBondContact OG-CZ 3.41Å; Y214-F258 HydrophobicContact CD2-CD1 4.28Å; D254-F258 WeakPolarHBondContact O-CB 3.4Å; D254-F258 PolarHBondContact O-N 3.16Å; L255-F258 WeakPolarHBondContact O-CA 3.48Å; L255-F258 WeakPolarHBondContact O-CB 3.42Å; L255-F258 PolarHBondContact O-N 3.49Å; Y256-F258 VanDerWaalsContact C-N 3.32Å; Y256-F258 PolarHBondContact O-N 2.84Å; F258-F260 VanDerWaalsContact C-N 3.28Å; F258-F260 PolarHBondContact O-N 3.1Å; F258-A261 PolarHBondContact O-N 2.88Å; F258-T263 HydrophobicContact CE2-CG2 4.42Å; F258-Y266 HydrophobicContact CB-CD2 3.9Å; F258-Y266 HydrophobicContact CB-CE2 4.12Å; F258-Y266 AromaticContact CD1-CD2 3.64Å; F258-Y266 HydrophobicContact CD1-CD2 3.64Å; F258-Y266 HydrophobicContact CD1-CE2 4.4Å; F258-Y266 HydrophobicContact CD1-CG 4.25Å; F258-Y266 AromaticContact CD2-CD2 3.87Å; F258-Y266 HydrophobicContact CD2-CD2 3.87Å; F258-Y266 HydrophobicContact CE1-CD2 4.09Å; F258-Y266 HydrophobicContact CE1-CG 4.27Å; F258-Y266 HydrophobicContact CE2-CD2 4.3Å; F258-Y266 AromaticContact CG-CD2 3.51Å; F258-Y266 HydrophobicContact CG-CD2 3.51Å; F258-Y266 HydrophobicContact CG-CE2 4.22Å; F258-Y266 HydrophobicContact CG-CG 4.42Å; F258-Y266 HydrophobicContact CZ-CD2 4.4Å; F258-Y266 HydrophobicContact CZ-CG 4.46Å; F258-F270 HydrophobicContact CB-CE2 4.13Å; F258-F270 HydrophobicContact CB-CZ 4.4Å; F258-F270 HydrophobicContact CD2-CE2 4.16Å; F258-F270 AromaticContact CD2-CZ 3.58Å; F258-F270 HydrophobicContact CD2-CZ 3.58Å; F258-F270 HydrophobicContact CE2-CZ 4.28Å; F258-F270 HydrophobicContact CG-CZ 4.3Å |
| 259 | L | 97.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 43.9 Ų | 43.9 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.5 | -41.1 | 178.4 | -66.8 | -179.8 | 0 | 0 | 0 | 111.9 | A147 L207 K210 L211 L255 Y256 | A147-L259 HydrophobicContact CB-CD1 3.68Å; L207-L259 HydrophobicContact CD1-CD2 3.52Å; K210-L259 HydrophobicContact CD-CD2 4.43Å; K210-L259 WeakPolarHBondContact CE-O 3.43Å; K210-L259 PolarHBondContact NZ-O 3.29Å; L211-L259 HydrophobicContact CD2-CD2 4.28Å; L255-L259 HydrophobicContact CG-CD1 4.23Å; L255-L259 HydrophobicContact CG-CG 4.43Å; L255-L259 WeakPolarHBondContact O-CG 3.39Å; L255-L259 PolarHBondContact O-N 3.36Å; Y256-L259 HydrophobicContact CD1-CD1 3.86Å; Y256-L259 HydrophobicContact CE1-CD1 3.98Å; Y256-L259 PolarHBondContact O-N 3.26Å |
| 260 | F | 97.3 | Very high | 95.9 | Very high | 128 Ų | 128 | 45 Ų | 45 | 56% | 0.561 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -87.6 | -17.9 | 178.1 | -64.1 | -61 | 0 | 0 | 0 | 114.6 | Y256 Y257 F258 V352 M356 | Y256-F260 AromaticContact CD1-CE2 3.99Å; Y256-F260 HydrophobicContact CD1-CE2 3.99Å; Y256-F260 WeakPolarHBondContact O-CD2 3.32Å; Y256-F260 PolarHBondContact O-N 2.82Å; Y256-F260 VanDerWaalsContact O-N 3.14Å; Y257-F260 PolarHBondContact O-N 3.39Å; F258-F260 VanDerWaalsContact C-N 3.28Å; F258-F260 PolarHBondContact O-N 3.1Å; F260-V352 VanDerWaalsContact O-CG1 3.25Å; F260-V352 WeakPolarHBondContact O-CG1 3.23Å; F260-M356 HydrophobicContact CB-CE 3.73Å; F260-M356 HydrophobicContact CB-SD 4.03Å |
| 261 | A | 97 | Very high | 95.9 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -61.2 | 139.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | K210 Y257 F258 T263 | K210-A261 PolarHBondContact NZ-O 3.47Å; Y257-A261 HydrophobicContact CE1-CB 4.14Å; Y257-A261 WeakPolarHBondContact O-CB 3.36Å; Y257-A261 PolarHBondContact O-N 2.87Å; F258-A261 PolarHBondContact O-N 2.88Å; A261-T263 HydrophobicContact CB-CG2 4.14Å; A261-T263 PolarHBondContact O-N 3.47Å |
| 262 | P | 97 | Very high | 95.8 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -79 | 49.2 | -176.9 | 32.5 | -34.4 | 0 | 0 | 0 | 112.5 | L349 V352 A353 F358 F363 | P262-L349 HydrophobicContact CB-CB 4.32Å; P262-L349 HydrophobicContact CB-CD2 3.89Å; P262-V352 HydrophobicContact CB-CG1 4.48Å; P262-V352 HydrophobicContact CG-CG1 4.49Å; P262-A353 HydrophobicContact CG-CB 3.81Å; P262-F358 HydrophobicContact CG-CD1 3.63Å; P262-F358 HydrophobicContact CG-CE1 4.16Å; P262-F358 HydrophobicContact CG-CG 4.36Å; P262-F363 HydrophobicContact CB-CE1 3.79Å; P262-F363 HydrophobicContact CB-CZ 3.96Å; P262-F363 HydrophobicContact CG-CE1 3.76Å; P262-F363 HydrophobicContact CG-CZ 3.64Å; P262-F363 VanDerWaalsContact O-CE1 3.29Å; P262-F363 WeakPolarHBondContact O-CE1 3.35Å |
| 263 | T | 97 | Very high | 95.6 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | trans | -141.6 | 150.8 | 176.3 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | K210 F258 A261 C265 F270 F358 | K210-T263 PolarHBondContact NZ-O 2.86Å; F258-T263 HydrophobicContact CE2-CG2 4.42Å; A261-T263 HydrophobicContact CB-CG2 4.14Å; A261-T263 PolarHBondContact O-N 3.47Å; T263-C265 PolarHBondContact OG1-N 3Å; T263-F270 HydrophobicContact CG2-CE1 3.88Å; T263-F270 HydrophobicContact CG2-CZ 4.41Å; T263-F358 HydrophobicContact CG2-CE1 4.42Å; T263-F358 HydrophobicContact CG2-CE2 4.2Å; T263-F358 HydrophobicContact CG2-CZ 3.74Å | ||
| 264 | L | 97.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -99.6 | -13.5 | 177.6 | -60 | 178.2 | 0 | 0 | 0 | 112.7 | I206 L209 K210 S213 P383 V384 W387 | I206-L264 HydrophobicContact CG2-CD2 3.99Å; L209-L264 HydrophobicContact CB-CD1 4.42Å; L209-L264 HydrophobicContact CB-CD2 4.29Å; L209-L264 HydrophobicContact CD1-CD1 3.83Å; K210-L264 HydrophobicContact CG-CD2 4.02Å; S213-L264 WeakPolarHBondContact CB-O 3.48Å; S213-L264 PolarHBondContact OG-O 2.62Å; L264-P383 HydrophobicContact CD1-CB 4.42Å; L264-P383 HydrophobicContact CG-CB 4.27Å; L264-V384 HydrophobicContact CD1-CB 4.33Å; L264-V384 HydrophobicContact CD1-CG2 3.56Å; L264-W387 HydrophobicContact CB-CB 4.05Å; L264-W387 HydrophobicContact CB-CG 4.21Å |
| 265 | C | 97.6 | Very high | 95.4 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -95.7 | 114.4 | 179.8 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | T263 W387 | T263-C265 PolarHBondContact OG1-N 3Å; C265-W387 VanDerWaalsContact SG-CA 3.59Å |
| 266 | Y | 97.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | trans | -67.6 | 139.4 | 173.2 | -177.1 | -121.3 | 0 | 0 | 0 | 111.3 | S213 Y214 V217 N249 F258 F270 | S213-Y266 PolarHBondContact OG-N 3.33Å; Y214-Y266 AromaticContact CD2-CD1 3.65Å; Y214-Y266 HydrophobicContact CD2-CD1 3.65Å; Y214-Y266 AromaticContact CD2-CD2 3.88Å; Y214-Y266 HydrophobicContact CD2-CD2 3.88Å; Y214-Y266 AromaticContact CD2-CE1 3.69Å; Y214-Y266 HydrophobicContact CD2-CE1 3.69Å; Y214-Y266 AromaticContact CD2-CE2 3.89Å; Y214-Y266 HydrophobicContact CD2-CE2 3.89Å; Y214-Y266 AromaticContact CD2-CG 3.77Å; Y214-Y266 HydrophobicContact CD2-CG 3.77Å; Y214-Y266 AromaticContact CD2-CZ 3.81Å; Y214-Y266 HydrophobicContact CE2-CD1 4.25Å; Y214-Y266 HydrophobicContact CE2-CD2 4.43Å; Y214-Y266 AromaticContact CE2-CE1 3.8Å; Y214-Y266 HydrophobicContact CE2-CE1 3.8Å; Y214-Y266 AromaticContact CE2-CE2 3.98Å; Y214-Y266 HydrophobicContact CE2-CE2 3.98Å; Y214-Y266 AromaticContact CE2-CZ 3.65Å; Y214-Y266 HydrophobicContact CG-CD1 4.42Å; V217-Y266 HydrophobicContact CB-CD1 3.89Å; V217-Y266 HydrophobicContact CG1-CD1 3.81Å; V217-Y266 HydrophobicContact CG1-CE1 4.28Å; V217-Y266 WeakPolarHBondContact CG2-O 3.41Å; N249-Y266 PolarHBondContact ND2-OH 2.87Å; F258-Y266 HydrophobicContact CB-CD2 3.9Å; F258-Y266 HydrophobicContact CB-CE2 4.12Å; F258-Y266 AromaticContact CD1-CD2 3.64Å; F258-Y266 HydrophobicContact CD1-CD2 3.64Å; F258-Y266 HydrophobicContact CD1-CE2 4.4Å; F258-Y266 HydrophobicContact CD1-CG 4.25Å; F258-Y266 AromaticContact CD2-CD2 3.87Å; F258-Y266 HydrophobicContact CD2-CD2 3.87Å; F258-Y266 HydrophobicContact CE1-CD2 4.09Å; F258-Y266 HydrophobicContact CE1-CG 4.27Å; F258-Y266 HydrophobicContact CE2-CD2 4.3Å; F258-Y266 AromaticContact CG-CD2 3.51Å; F258-Y266 HydrophobicContact CG-CD2 3.51Å; F258-Y266 HydrophobicContact CG-CE2 4.22Å; F258-Y266 HydrophobicContact CG-CG 4.42Å; F258-Y266 HydrophobicContact CZ-CD2 4.4Å; F258-Y266 HydrophobicContact CZ-CG 4.46Å; Y266-F270 HydrophobicContact CD2-CE2 4.24Å; Y266-F270 HydrophobicContact CD2-CZ 4.05Å; Y266-F270 HydrophobicContact CE2-CE2 4.35Å | ||
| 267 | E | 94.1 | Very high | 95.3 | Very high | 79 Ų | 79 | 53.2 Ų | 53.2 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | trans | -142.1 | 150.7 | 170.5 | -62.2 | -167.1 | 157.6 | 0 | 0 | 108.8 | N269 F270 R390 | E267-N269 VanDerWaalsContact C-N 3.35Å; E267-F270 HydrophobicContact CB-CD1 4.17Å; E267-F270 HydrophobicContact CB-CE1 3.88Å; E267-F270 HydrophobicContact CB-CZ 4.33Å; E267-F270 HydrophobicContact CG-CE1 4.38Å; E267-F270 VanDerWaalsContact N-CZ 3.34Å; E267-F270 VanDerWaalsContact O-CE2 3.22Å; E267-F270 WeakPolarHBondContact O-CE2 3.44Å; E267-F270 WeakPolarHBondContact O-CZ 3.5Å; E267-R390 IonicContact OE1-CZ 3.5Å; E267-R390 IonicContact OE1-NH1 2.82Å; E267-R390 PolarHBondContact OE1-NH1 3.47Å | ||
| 268 | L | 90.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 59.2 Ų | 59.2 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -67 | -40.3 | -177.3 | -79.3 | 70.3 | 0 | 0 | 0 | 111.1 | V217 N249 | V217-L268 HydrophobicContact CG1-CD1 3.79Å; N249-L268 HydrophobicContact CB-CD2 4.45Å; N249-L268 HydrophobicContact CB-CG 4.19Å |
| 269 | N | 92.4 | Very high | 95.1 | Very high | 73 Ų | 73 | 70 Ų | 70 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -127.5 | 95 | -173.7 | -60.5 | -73.1 | 0 | 0 | 0 | 109.3 | V244 E267 | V244-N269 WeakPolarHBondContact CB-OD1 3.34Å; V244-N269 PolarHBondContact N-OD1 2.85Å; V244-N269 PolarHBondContact O-ND2 3.38Å; E267-N269 VanDerWaalsContact C-N 3.35Å |
| 270 | F | 93.4 | Very high | 94.9 | Very high | 25 Ų | 25 | 71.1 Ų | 71.1 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | trans | -75.4 | 142.6 | 177 | -67.1 | -70.3 | 0 | 0 | 0 | 111.7 | Y257 F258 T263 Y266 E267 R272 F358 | Y257-F270 AromaticContact CD1-CD2 3.83Å; Y257-F270 HydrophobicContact CD1-CD2 3.83Å; Y257-F270 HydrophobicContact CD1-CE2 4.19Å; Y257-F270 HydrophobicContact CE1-CB 4.15Å; Y257-F270 AromaticContact CE1-CD2 3.52Å; Y257-F270 HydrophobicContact CE1-CD2 3.52Å; Y257-F270 HydrophobicContact CE1-CE2 4.18Å; Y257-F270 HydrophobicContact CE1-CG 4.05Å; F258-F270 HydrophobicContact CB-CE2 4.13Å; F258-F270 HydrophobicContact CB-CZ 4.4Å; F258-F270 HydrophobicContact CD2-CE2 4.16Å; F258-F270 AromaticContact CD2-CZ 3.58Å; F258-F270 HydrophobicContact CD2-CZ 3.58Å; F258-F270 HydrophobicContact CE2-CZ 4.28Å; F258-F270 HydrophobicContact CG-CZ 4.3Å; T263-F270 HydrophobicContact CG2-CE1 3.88Å; T263-F270 HydrophobicContact CG2-CZ 4.41Å; Y266-F270 HydrophobicContact CD2-CE2 4.24Å; Y266-F270 HydrophobicContact CD2-CZ 4.05Å; Y266-F270 HydrophobicContact CE2-CE2 4.35Å; E267-F270 HydrophobicContact CB-CD1 4.17Å; E267-F270 HydrophobicContact CB-CE1 3.88Å; E267-F270 HydrophobicContact CB-CZ 4.33Å; E267-F270 HydrophobicContact CG-CE1 4.38Å; E267-F270 VanDerWaalsContact N-CZ 3.34Å; E267-F270 VanDerWaalsContact O-CE2 3.22Å; E267-F270 WeakPolarHBondContact O-CE2 3.44Å; E267-F270 WeakPolarHBondContact O-CZ 3.5Å; F270-R272 PolarHBondContact O-N 3.46Å; F270-F358 HydrophobicContact CB-CD2 4.24Å; F270-F358 HydrophobicContact CB-CE2 3.98Å; F270-F358 AromaticContact CD1-CE2 3.67Å; F270-F358 HydrophobicContact CD1-CE2 3.67Å; F270-F358 HydrophobicContact CD1-CZ 4.44Å; F270-F358 HydrophobicContact CE1-CE2 4.45Å; F270-F358 HydrophobicContact CG-CE2 4.03Å | ||
| 271 | P | 93.6 | Very high | 94.8 | Very high | 65 Ų | 65 | 65.9 Ų | 65.9 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | trans | -61.5 | 134.1 | 172 | 26.1 | -33.2 | 0 | 0 | 0 | 110.2 | G359 D360 | P271-G359 WeakPolarHBondContact O-CA 3.27Å; P271-G359 PolarHBondContact O-N 3.28Å; P271-D360 HydrophobicContact CG-CB 3.9Å | ||
| 272 | R | 92.7 | Very high | 94.7 | Very high | 121 Ų | 121 | 70.8 Ų | 70.8 | 46% | 0.457 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -114.3 | 140.9 | -176.6 | -61.2 | -55 | -169.7 | 131.7 | -1.4 | 112.5 | Y257 F270 M356 Q357 | Y257-R272 VanDerWaalsContact CD2-NH2 3.27Å; Y257-R272 VanDerWaalsContact CE1-CZ 3.47Å; Y257-R272 VanDerWaalsContact CG-NH2 3.3Å; Y257-R272 PolarHBondContact OH-NH1 3.41Å; F270-R272 PolarHBondContact O-N 3.46Å; R272-M356 PolarHBondContact NH1-O 3.42Å; R272-M356 VanDerWaalsContact NH1-O 3.11Å; R272-Q357 CarbonylContact C-O 3.54Å; R272-Q357 VanDerWaalsContact CA-O 3.27Å; R272-Q357 WeakPolarHBondContact CA-O 3.32Å; R272-Q357 WeakPolarHBondContact CD-O 3.49Å |
| 273 | S | 92.3 | Very high | 94.5 | Very high | 19 Ų | 19 | 77.7 Ų | 77.7 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | trans | -77.9 | 141.9 | 167.2 | -63.5 | 0 | 0 | 0 | 0 | 109.8 | R275 Q357 F358 R361 | S273-R275 VanDerWaalsContact C-N 3.31Å; S273-R275 PolarHBondContact O-N 3.28Å; S273-Q357 PolarHBondContact N-O 3.2Å; S273-F358 PolarHBondContact OG-O 3.21Å; S273-R361 PolarHBondContact OG-NH2 3.09Å | ||
| 274 | P | 92.6 | Very high | 94.5 | Very high | 130 Ų | 130 | 77.6 Ų | 77.6 | 84% | 0.844 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -69.1 | -26.4 | -175.2 | 26.1 | -34.8 | 0 | 0 | 0 | 113.7 | ||
| 275 | R | 93.6 | Very high | 94.2 | Very high | 177 Ų | 177 | 80.5 Ų | 80.5 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -155.7 | 162.3 | -177.9 | 62.4 | 179.2 | 178.4 | 138.8 | -3.4 | 111.8 | S273 | S273-R275 VanDerWaalsContact C-N 3.31Å; S273-R275 PolarHBondContact O-N 3.28Å |
| 276 | I | 96.2 | Very high | 93.8 | Very high | 48 Ų | 48 | 84.8 Ų | 84.8 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | trans | -86.4 | 113.8 | 171.2 | -54.7 | -178.6 | 0 | 0 | 0 | 109.3 | K278 L281 E354 Q357 | I276-K278 HydrophobicContact CG2-CD 4.17Å; I276-K278 PolarHBondContact O-N 3.32Å; I276-L281 HydrophobicContact CG2-CD2 4.41Å; I276-E354 HydrophobicContact CG2-CG 4.16Å; I276-Q357 HydrophobicContact CD1-CG 4.39Å; I276-Q357 HydrophobicContact CG1-CG 3.77Å | ||
| 277 | R | 95.7 | Very high | 93.5 | Very high | 105 Ų | 105 | 86.2 Ų | 86.2 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | trans | -82.1 | 93.4 | 177 | -63.7 | 172.6 | -65.8 | 179.6 | 2.9 | 110 | R279 F280 L281 E354 R361 | R277-R279 VanDerWaalsContact C-N 3.32Å; R277-R279 PolarHBondContact O-N 2.71Å; R277-F280 HydrophobicContact CB-CB 3.89Å; R277-F280 WeakPolarHBondContact O-CB 3.41Å; R277-F280 PolarHBondContact O-N 2.88Å; R277-L281 PolarHBondContact O-N 2.8Å; R277-E354 WeakPolarHBondContact CB-OE1 3.39Å; R277-E354 IonicContact CZ-OE2 3.33Å; R277-E354 PolarHBondContact N-OE1 2.85Å; R277-E354 IonicContact NE-OE1 2.78Å; R277-E354 PolarHBondContact NE-OE1 3.46Å; R277-E354 IonicContact NE-OE2 2.63Å; R277-E354 PolarHBondContact NE-OE2 3.28Å; R277-E354 IonicContact NH2-OE2 3.12Å; R277-E354 PolarHBondContact NH2-OE2 2.93Å; R277-R361 VanDerWaalsContact NH2-CZ 3.25Å | ||
| 278 | K | 95.6 | Very high | 93.4 | Very high | 147 Ų | 147 | 84.7 Ų | 84.7 | 64% | 0.639 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -54.9 | -41.1 | -176.3 | -55.4 | -60 | -178 | 176.3 | 0 | 113.9 | I276 F280 L281 L282 | I276-K278 HydrophobicContact CG2-CD 4.17Å; I276-K278 PolarHBondContact O-N 3.32Å; K278-F280 VanDerWaalsContact C-N 3.34Å; K278-F280 PolarHBondContact O-N 3.18Å; K278-L281 PolarHBondContact O-N 3.32Å; K278-L282 WeakPolarHBondContact O-CB 3.11Å; K278-L282 PolarHBondContact O-N 3.3Å |
| 279 | R | 95.1 | Very high | 93.3 | Very high | 226 Ų | 226 | 87.4 Ų | 87.4 | 85% | 0.853 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.5 | -38.9 | 176.3 | -66 | -176.4 | -178.3 | 176.6 | -0 | 112.8 | R277 R283 | R277-R279 VanDerWaalsContact C-N 3.32Å; R277-R279 PolarHBondContact O-N 2.71Å; R279-R283 WeakPolarHBondContact O-CB 2.94Å; R279-R283 PolarHBondContact O-N 2.91Å; R279-R283 VanDerWaalsContact O-N 3.16Å |
| 280 | F | 94.1 | Very high | 93.1 | Very high | 50 Ų | 50 | 85.3 Ų | 85.3 | 22% | 0.219 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.9 | -47.8 | 176.4 | 178.8 | -90.6 | 0 | 0 | 0 | 110.3 | R277 K278 L282 R283 R284 N350 E354 R361 | R277-F280 HydrophobicContact CB-CB 3.89Å; R277-F280 WeakPolarHBondContact O-CB 3.41Å; R277-F280 PolarHBondContact O-N 2.88Å; K278-F280 VanDerWaalsContact C-N 3.34Å; K278-F280 PolarHBondContact O-N 3.18Å; F280-L282 PolarHBondContact O-N 2.88Å; F280-R283 WeakPolarHBondContact O-CB 3.32Å; F280-R283 PolarHBondContact O-N 3.27Å; F280-R284 HydrophobicContact CD1-CG 4.1Å; F280-R284 HydrophobicContact CE1-CG 3.72Å; F280-R284 HydrophobicContact CZ-CG 4.05Å; F280-R284 WeakPolarHBondContact O-CG 3.39Å; F280-R284 PolarHBondContact O-N 3.38Å; F280-N350 HydrophobicContact CE1-CB 3.98Å; F280-N350 HydrophobicContact CZ-CB 3.96Å; F280-E354 HydrophobicContact CD1-CB 4.24Å; F280-E354 HydrophobicContact CD1-CG 3.98Å; F280-E354 VanDerWaalsContact CD1-OE2 3.27Å; F280-E354 WeakPolarHBondContact CD1-OE2 3.25Å; F280-E354 HydrophobicContact CE1-CB 4.39Å; F280-R361 VanDerWaalsContact CE1-NH1 3.35Å |
| 281 | L | 95.1 | Very high | 92.9 | Very high | 18 Ų | 18 | 85 Ų | 85 | 9% | 0.094 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 177.6 | -179.5 | 61.7 | 0 | 0 | 0 | 112.2 | I276 R277 K278 R283 R284 I285 A351 E354 L355 | I276-L281 HydrophobicContact CG2-CD2 4.41Å; R277-L281 PolarHBondContact O-N 2.8Å; K278-L281 PolarHBondContact O-N 3.32Å; L281-R283 VanDerWaalsContact C-N 3.32Å; L281-R283 PolarHBondContact O-N 2.81Å; L281-R284 PolarHBondContact O-N 3.47Å; L281-R284 VanDerWaalsContact O-N 3.15Å; L281-I285 HydrophobicContact CD1-CD1 4.16Å; L281-I285 HydrophobicContact CD1-CG1 4.41Å; L281-I285 HydrophobicContact CG-CD1 3.97Å; L281-I285 WeakPolarHBondContact O-CG1 3.18Å; L281-I285 PolarHBondContact O-N 2.86Å; L281-A351 HydrophobicContact CD1-CB 4.1Å; L281-E354 HydrophobicContact CB-CG 4.25Å; L281-L355 HydrophobicContact CD1-CD2 4.3Å; L281-L355 HydrophobicContact CD1-CG 4.04Å; L281-L355 HydrophobicContact CD2-CD2 3.62Å; L281-L355 HydrophobicContact CD2-CG 4.26Å |
| 282 | L | 94.8 | Very high | 92.6 | Very high | 104 Ų | 104 | 84.7 Ų | 84.7 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 177.2 | 178.6 | 62.3 | 0 | 0 | 0 | 111.5 | K278 F280 R284 I285 L286 | K278-L282 WeakPolarHBondContact O-CB 3.11Å; K278-L282 PolarHBondContact O-N 3.3Å; F280-L282 PolarHBondContact O-N 2.88Å; L282-R284 VanDerWaalsContact C-N 3.33Å; L282-R284 PolarHBondContact O-N 2.98Å; L282-I285 PolarHBondContact O-N 3.46Å; L282-L286 HydrophobicContact CD1-CD1 4.47Å; L282-L286 HydrophobicContact CD1-CG 4.36Å; L282-L286 HydrophobicContact CG-CD1 4.26Å; L282-L286 WeakPolarHBondContact O-CG 3.42Å; L282-L286 PolarHBondContact O-N 3.28Å |
| 283 | R | 93.5 | Very high | 92.2 | Very high | 159 Ų | 159 | 82.9 Ų | 82.9 | 60% | 0.6 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58.5 | -44.6 | 175.9 | -175 | -173.4 | -62.4 | -125 | -0.5 | 111.7 | R279 F280 L281 L286 E287 | R279-R283 WeakPolarHBondContact O-CB 2.94Å; R279-R283 PolarHBondContact O-N 2.91Å; R279-R283 VanDerWaalsContact O-N 3.16Å; F280-R283 WeakPolarHBondContact O-CB 3.32Å; F280-R283 PolarHBondContact O-N 3.27Å; L281-R283 VanDerWaalsContact C-N 3.32Å; L281-R283 PolarHBondContact O-N 2.81Å; R283-L286 PolarHBondContact O-N 2.97Å; R283-E287 WeakPolarHBondContact CG-OE1 3.42Å; R283-E287 WeakPolarHBondContact O-CG 3.25Å; R283-E287 PolarHBondContact O-N 3.14Å |
| 284 | R | 95.9 | Very high | 91.9 | Very high | 16 Ų | 16 | 82.6 Ų | 82.6 | 6% | 0.06 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.5 | -63.8 | -51.4 | 94.3 | 174.2 | 12.3 | 112.1 | F280 L281 L282 E287 M288 H346 N350 A351 | F280-R284 HydrophobicContact CD1-CG 4.1Å; F280-R284 HydrophobicContact CE1-CG 3.72Å; F280-R284 HydrophobicContact CZ-CG 4.05Å; F280-R284 WeakPolarHBondContact O-CG 3.39Å; F280-R284 PolarHBondContact O-N 3.38Å; L281-R284 PolarHBondContact O-N 3.47Å; L281-R284 VanDerWaalsContact O-N 3.15Å; L282-R284 VanDerWaalsContact C-N 3.33Å; L282-R284 PolarHBondContact O-N 2.98Å; R284-E287 IonicContact CZ-OE1 2.72Å; R284-E287 IonicContact CZ-OE2 2.85Å; R284-E287 IonicContact NE-OE1 3.4Å; R284-E287 IonicContact NE-OE2 2.79Å; R284-E287 PolarHBondContact NE-OE2 2.95Å; R284-E287 IonicContact NH1-OE1 3.16Å; R284-E287 IonicContact NH1-OE2 3.2Å; R284-E287 PolarHBondContact NH1-OE2 3.18Å; R284-E287 VanDerWaalsContact NH2-CD 3.31Å; R284-E287 IonicContact NH2-OE1 2.83Å; R284-E287 PolarHBondContact NH2-OE1 2.83Å; R284-E287 IonicContact NH2-OE2 3.71Å; R284-E287 PolarHBondContact NH2-OE2 3.25Å; R284-E287 PolarHBondContact O-N 3.41Å; R284-M288 VanDerWaalsContact O-CG 3.25Å; R284-M288 WeakPolarHBondContact O-CG 3.27Å; R284-M288 PolarHBondContact O-N 3.28Å; R284-H346 PolarHBondContact NH1-CD2 3.14Å; R284-H346 PolarHBondContact NH1-NE2 2.93Å; R284-N350 HydrophobicContact CG-CB 4.29Å; R284-A351 HydrophobicContact CB-CB 4.09Å |
| 285 | I | 92.3 | Very high | 91.6 | Very high | 74 Ų | 74 | 77.6 Ų | 77.6 | 38% | 0.379 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 177.3 | -67.6 | 168.1 | 0 | 0 | 0 | 110.8 | L281 L282 E287 M288 L289 | L281-I285 HydrophobicContact CD1-CD1 4.16Å; L281-I285 HydrophobicContact CD1-CG1 4.41Å; L281-I285 HydrophobicContact CG-CD1 3.97Å; L281-I285 WeakPolarHBondContact O-CG1 3.18Å; L281-I285 PolarHBondContact O-N 2.86Å; L282-I285 PolarHBondContact O-N 3.46Å; I285-E287 VanDerWaalsContact C-N 3.35Å; I285-E287 PolarHBondContact O-N 3.35Å; I285-M288 WeakPolarHBondContact O-CB 3.34Å; I285-M288 PolarHBondContact O-N 3.1Å; I285-L289 HydrophobicContact CG2-CD1 4.33Å; I285-L289 WeakPolarHBondContact O-CG 3.27Å; I285-L289 PolarHBondContact O-N 3.34Å |
| 286 | L | 89.5 | Confident | 91.2 | Very high | 101 Ų | 101 | 72.5 Ų | 72.5 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 177 | -69.7 | 174.8 | 0 | 0 | 0 | 112 | L282 R283 L289 F290 | L282-L286 HydrophobicContact CD1-CD1 4.47Å; L282-L286 HydrophobicContact CD1-CG 4.36Å; L282-L286 HydrophobicContact CG-CD1 4.26Å; L282-L286 WeakPolarHBondContact O-CG 3.42Å; L282-L286 PolarHBondContact O-N 3.28Å; R283-L286 PolarHBondContact O-N 2.97Å; L286-L289 PolarHBondContact O-N 3.46Å; L286-F290 WeakPolarHBondContact O-CB 3.39Å; L286-F290 PolarHBondContact O-N 2.79Å |
| 287 | E | 91.3 | Very high | 90.4 | Very high | 33 Ų | 33 | 71 Ų | 71 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 173.9 | -74.9 | 168.8 | -160 | 0 | 0 | 111.8 | R283 R284 I285 L289 F290 F291 S347 | R283-E287 WeakPolarHBondContact CG-OE1 3.42Å; R283-E287 WeakPolarHBondContact O-CG 3.25Å; R283-E287 PolarHBondContact O-N 3.14Å; R284-E287 IonicContact CZ-OE1 2.72Å; R284-E287 IonicContact CZ-OE2 2.85Å; R284-E287 IonicContact NE-OE1 3.4Å; R284-E287 IonicContact NE-OE2 2.79Å; R284-E287 PolarHBondContact NE-OE2 2.95Å; R284-E287 IonicContact NH1-OE1 3.16Å; R284-E287 IonicContact NH1-OE2 3.2Å; R284-E287 PolarHBondContact NH1-OE2 3.18Å; R284-E287 VanDerWaalsContact NH2-CD 3.31Å; R284-E287 IonicContact NH2-OE1 2.83Å; R284-E287 PolarHBondContact NH2-OE1 2.83Å; R284-E287 IonicContact NH2-OE2 3.71Å; R284-E287 PolarHBondContact NH2-OE2 3.25Å; R284-E287 PolarHBondContact O-N 3.41Å; I285-E287 VanDerWaalsContact C-N 3.35Å; I285-E287 PolarHBondContact O-N 3.35Å; E287-L289 PolarHBondContact O-N 3.5Å; E287-F290 PolarHBondContact O-N 2.72Å; E287-F291 HydrophobicContact CB-CD2 4.17Å; E287-F291 HydrophobicContact CB-CE2 4.19Å; E287-F291 HydrophobicContact CG-CE2 4.42Å; E287-F291 WeakPolarHBondContact O-CB 3.49Å; E287-F291 WeakPolarHBondContact O-CD2 3.36Å; E287-F291 PolarHBondContact O-N 3.36Å; E287-S347 PolarHBondContact OE2-OG 3.43Å |
| 288 | M | 92.1 | Very high | 89.8 | Confident | 47 Ų | 47 | 67.3 Ų | 67.3 | 23% | 0.232 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -48.2 | 176.5 | -72.1 | 168.4 | 65.8 | 0 | 0 | 111.5 | R284 I285 T292 W343 C348 A351 | R284-M288 VanDerWaalsContact O-CG 3.25Å; R284-M288 WeakPolarHBondContact O-CG 3.27Å; R284-M288 PolarHBondContact O-N 3.28Å; I285-M288 WeakPolarHBondContact O-CB 3.34Å; I285-M288 PolarHBondContact O-N 3.1Å; M288-T292 WeakPolarHBondContact O-CB 3.27Å; M288-T292 PolarHBondContact O-N 3.23Å; M288-T292 PolarHBondContact O-OG1 2.85Å; M288-W343 PolarHBondContact O-NE1 3.07Å; M288-C348 HydrophobicContact CE-CB 4.1Å; M288-C348 HydrophobicContact SD-CB 4.33Å; M288-A351 HydrophobicContact SD-CB 4.02Å |
| 289 | L | 87.9 | Confident | 89.2 | Confident | 98 Ų | 98 | 62.9 Ų | 62.9 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 178.5 | -66.9 | 174.8 | 0 | 0 | 0 | 111.9 | I285 L286 E287 Q293 | I285-L289 HydrophobicContact CG2-CD1 4.33Å; I285-L289 WeakPolarHBondContact O-CG 3.27Å; I285-L289 PolarHBondContact O-N 3.34Å; L286-L289 PolarHBondContact O-N 3.46Å; E287-L289 PolarHBondContact O-N 3.5Å; L289-Q293 WeakPolarHBondContact O-CG 3.41Å; L289-Q293 PolarHBondContact O-N 3.39Å; L289-Q293 VanDerWaalsContact O-N 3.1Å |
| 290 | F | 87.3 | Confident | 88.3 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -50.6 | 178.5 | 175.8 | -100.7 | 0 | 0 | 0 | 111.9 | L99 I100 N103 F107 L286 E287 T292 Q293 L294 | L99-F290 HydrophobicContact CB-CZ 4.44Å; I100-F290 HydrophobicContact CG1-CZ 4.4Å; N103-F290 HydrophobicContact CB-CE2 4.29Å; N103-F290 HydrophobicContact CB-CZ 4.41Å; F107-F290 HydrophobicContact CD2-CD2 4.5Å; F107-F290 HydrophobicContact CG-CD2 4.49Å; L286-F290 WeakPolarHBondContact O-CB 3.39Å; L286-F290 PolarHBondContact O-N 2.79Å; E287-F290 PolarHBondContact O-N 2.72Å; F290-T292 PolarHBondContact O-N 2.91Å; F290-Q293 PolarHBondContact O-N 2.99Å; F290-L294 HydrophobicContact CE1-CD2 4.28Å; F290-L294 WeakPolarHBondContact O-CB 3.33Å; F290-L294 PolarHBondContact O-N 3.13Å |
| 291 | F | 89.8 | Confident | 87.4 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 9% | 0.088 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.3 | -28.6 | -177.7 | -73.9 | -60.3 | 0 | 0 | 0 | 113.3 | E287 L294 Q295 I339 Y342 W343 | E287-F291 HydrophobicContact CB-CD2 4.17Å; E287-F291 HydrophobicContact CB-CE2 4.19Å; E287-F291 HydrophobicContact CG-CE2 4.42Å; E287-F291 WeakPolarHBondContact O-CB 3.49Å; E287-F291 WeakPolarHBondContact O-CD2 3.36Å; E287-F291 PolarHBondContact O-N 3.36Å; F291-L294 HydrophobicContact CD1-CD2 4.1Å; F291-L294 HydrophobicContact CE1-CD2 4.41Å; F291-Q295 WeakPolarHBondContact O-CB 3.29Å; F291-Q295 VanDerWaalsContact O-CG 3.28Å; F291-Q295 WeakPolarHBondContact O-CG 3.37Å; F291-Q295 PolarHBondContact O-N 2.93Å; F291-Q295 PolarHBondContact O-NE2 3.27Å; F291-I339 HydrophobicContact CB-CG2 3.83Å; F291-I339 HydrophobicContact CD1-CG2 3.51Å; F291-I339 HydrophobicContact CE1-CG2 4.42Å; F291-I339 HydrophobicContact CG-CG2 4.01Å; F291-Y342 AromaticContact CD2-CD1 3.71Å; F291-Y342 HydrophobicContact CD2-CD1 3.71Å; F291-Y342 HydrophobicContact CD2-CE1 4.03Å; F291-Y342 AromaticContact CE2-CD1 3.26Å; F291-Y342 HydrophobicContact CE2-CD1 3.26Å; F291-Y342 AromaticContact CE2-CE1 3.28Å; F291-Y342 HydrophobicContact CE2-CE1 3.28Å; F291-Y342 HydrophobicContact CE2-CG 4.34Å; F291-Y342 AromaticContact CZ-CD1 3.78Å; F291-Y342 HydrophobicContact CZ-CD1 3.78Å; F291-Y342 AromaticContact CZ-CE1 3.92Å; F291-Y342 HydrophobicContact CZ-CE1 3.92Å; F291-Y342 HydrophobicContact CZ-CG 4.49Å; F291-W343 HydrophobicContact CB-CB 4.07Å; F291-W343 HydrophobicContact CB-CG 4.46Å |
| 292 | T | 88.2 | Confident | 86.6 | Confident | 58 Ų | 58 | 66 Ų | 66 | 36% | 0.356 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66 | -46.9 | 170.2 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | M288 F290 L294 Q295 V296 W343 | M288-T292 WeakPolarHBondContact O-CB 3.27Å; M288-T292 PolarHBondContact O-N 3.23Å; M288-T292 PolarHBondContact O-OG1 2.85Å; F290-T292 PolarHBondContact O-N 2.91Å; T292-L294 PolarHBondContact O-N 3.47Å; T292-Q295 PolarHBondContact O-N 2.89Å; T292-V296 WeakPolarHBondContact O-CG2 3.43Å; T292-V296 PolarHBondContact O-N 2.91Å; T292-W343 PolarHBondContact OG1-NE1 3.4Å |
| 293 | Q | 83.1 | Confident | 85.8 | Confident | 83 Ų | 83 | 62 Ų | 62 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 176.4 | -76.9 | -67.6 | -30.8 | 0 | 0 | 112.2 | F107 L289 F290 Q295 V296 G297 | F107-Q293 HydrophobicContact CD2-CB 3.86Å; F107-Q293 HydrophobicContact CD2-CG 3.89Å; F107-Q293 HydrophobicContact CE2-CB 4.2Å; F107-Q293 HydrophobicContact CE2-CG 3.87Å; L289-Q293 WeakPolarHBondContact O-CG 3.41Å; L289-Q293 PolarHBondContact O-N 3.39Å; L289-Q293 VanDerWaalsContact O-N 3.1Å; F290-Q293 PolarHBondContact O-N 2.99Å; Q293-Q295 PolarHBondContact O-N 3.26Å; Q293-V296 PolarHBondContact O-N 3.47Å; Q293-G297 PolarHBondContact O-N 3.27Å |
| 294 | L | 85.4 | Confident | 85.1 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 176.5 | -175.8 | 65.2 | 0 | 0 | 0 | 112 | L99 N103 F290 F291 T292 G297 L298 I339 | L99-L294 HydrophobicContact CD2-CD2 3.96Å; N103-L294 HydrophobicContact CB-CD1 4.27Å; F290-L294 HydrophobicContact CE1-CD2 4.28Å; F290-L294 WeakPolarHBondContact O-CB 3.33Å; F290-L294 PolarHBondContact O-N 3.13Å; F291-L294 HydrophobicContact CD1-CD2 4.1Å; F291-L294 HydrophobicContact CE1-CD2 4.41Å; T292-L294 PolarHBondContact O-N 3.47Å; L294-G297 PolarHBondContact O-N 2.92Å; L294-L298 HydrophobicContact CG-CD1 4.31Å; L294-L298 WeakPolarHBondContact O-CG 3.45Å; L294-L298 PolarHBondContact O-N 3.44Å; L294-I339 HydrophobicContact CD2-CD1 3.73Å; L294-I339 HydrophobicContact CD2-CG1 4.36Å; L294-I339 HydrophobicContact CG-CD1 4.12Å |
| 295 | Q | 86.7 | Confident | 84.2 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 11% | 0.112 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 175.7 | -77.2 | 169.2 | 80.1 | 0 | 0 | 111.7 | F291 T292 Q293 G297 L298 I299 I339 | F291-Q295 WeakPolarHBondContact O-CB 3.29Å; F291-Q295 VanDerWaalsContact O-CG 3.28Å; F291-Q295 WeakPolarHBondContact O-CG 3.37Å; F291-Q295 PolarHBondContact O-N 2.93Å; F291-Q295 PolarHBondContact O-NE2 3.27Å; T292-Q295 PolarHBondContact O-N 2.89Å; Q293-Q295 PolarHBondContact O-N 3.26Å; Q295-G297 VanDerWaalsContact C-N 3.32Å; Q295-G297 PolarHBondContact O-N 3.34Å; Q295-L298 PolarHBondContact O-N 3.43Å; Q295-I299 WeakPolarHBondContact O-CB 3.29Å; Q295-I299 VanDerWaalsContact O-CG1 3.23Å; Q295-I299 WeakPolarHBondContact O-CG1 3.21Å; Q295-I299 PolarHBondContact O-N 3.48Å; Q295-I339 HydrophobicContact CG-CB 4.05Å; Q295-I339 HydrophobicContact CG-CG2 3.54Å |
| 296 | V | 85.4 | Confident | 83.4 | Confident | 70 Ų | 70 | 54.9 Ų | 54.9 | 42% | 0.424 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 177 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | T292 Q293 I299 Q300 | T292-V296 WeakPolarHBondContact O-CG2 3.43Å; T292-V296 PolarHBondContact O-N 2.91Å; Q293-V296 PolarHBondContact O-N 3.47Å; V296-I299 PolarHBondContact O-N 3.4Å; V296-Q300 HydrophobicContact CG1-CG 4.28Å; V296-Q300 WeakPolarHBondContact O-CB 3.33Å; V296-Q300 VanDerWaalsContact O-CG 3.29Å; V296-Q300 WeakPolarHBondContact O-CG 3.19Å; V296-Q300 PolarHBondContact O-N 3.35Å |
| 297 | G | 79.4 | Confident | 82.8 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q293 L294 Q295 I299 Q300 Q301 | Q293-G297 PolarHBondContact O-N 3.27Å; L294-G297 PolarHBondContact O-N 2.92Å; Q295-G297 VanDerWaalsContact C-N 3.32Å; Q295-G297 PolarHBondContact O-N 3.34Å; G297-I299 PolarHBondContact O-N 3.21Å; G297-Q300 PolarHBondContact O-N 3.37Å; G297-Q301 VanDerWaalsContact O-CB 3.28Å; G297-Q301 WeakPolarHBondContact O-CB 3.03Å; G297-Q301 WeakPolarHBondContact O-CG 3.32Å; G297-Q301 PolarHBondContact O-N 2.88Å |
| 298 | L | 83.4 | Confident | 82 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 177.6 | -73.6 | 172.2 | 0 | 0 | 0 | 112.5 | L294 Q295 W302 M303 L335 I336 I339 | L294-L298 HydrophobicContact CG-CD1 4.31Å; L294-L298 WeakPolarHBondContact O-CG 3.45Å; L294-L298 PolarHBondContact O-N 3.44Å; Q295-L298 PolarHBondContact O-N 3.43Å; L298-W302 HydrophobicContact CD2-CE3 3.96Å; L298-W302 HydrophobicContact CD2-CZ3 4.48Å; L298-W302 WeakPolarHBondContact O-CA 3.38Å; L298-W302 VanDerWaalsContact O-CB 3.28Å; L298-W302 WeakPolarHBondContact O-CB 3.17Å; L298-W302 PolarHBondContact O-N 3.43Å; L298-M303 PolarHBondContact O-N 3.04Å; L298-M303 VanDerWaalsContact O-N 3.15Å; L298-L335 HydrophobicContact CD1-CD2 3.9Å; L298-L335 HydrophobicContact CD1-CG 4.14Å; L298-L335 HydrophobicContact CD2-CD2 4.09Å; L298-I336 HydrophobicContact CB-CD1 4.41Å; L298-I336 HydrophobicContact CB-CG1 4.16Å; L298-I336 HydrophobicContact CD1-CG1 4.33Å; L298-I339 HydrophobicContact CD1-CD1 3.36Å |
| 299 | I | 83 | Confident | 81 | Confident | 55 Ų | 55 | 58 Ų | 58 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -62.8 | -51.4 | 177.4 | -69.1 | 168.5 | 0 | 0 | 0 | 110 | Q295 V296 G297 M303 V304 I336 | Q295-I299 WeakPolarHBondContact O-CB 3.29Å; Q295-I299 VanDerWaalsContact O-CG1 3.23Å; Q295-I299 WeakPolarHBondContact O-CG1 3.21Å; Q295-I299 PolarHBondContact O-N 3.48Å; V296-I299 PolarHBondContact O-N 3.4Å; G297-I299 PolarHBondContact O-N 3.21Å; I299-M303 HydrophobicContact CB-CE 4.21Å; I299-M303 HydrophobicContact CG1-CE 3.78Å; I299-M303 HydrophobicContact CG2-CE 3.84Å; I299-M303 WeakPolarHBondContact O-CB 3.25Å; I299-M303 PolarHBondContact O-N 2.88Å; I299-V304 HydrophobicContact CG2-CG2 4.2Å; I299-V304 WeakPolarHBondContact O-CG2 3.34Å; I299-V304 PolarHBondContact O-N 3.42Å; I299-I336 HydrophobicContact CG1-CD1 3.66Å; I299-I336 HydrophobicContact CG1-CG1 4.5Å |
| 300 | Q | 76.3 | Confident | 79.5 | Confident | 118 Ų | 118 | 54.2 Ų | 54.2 | 55% | 0.551 | 28% | 0.278 | S | S | * | . | I | π-helix | trans | -71.4 | -39 | -174.3 | -70 | -67.7 | -28 | 0 | 0 | 113.3 | V296 G297 P305 | V296-Q300 HydrophobicContact CG1-CG 4.28Å; V296-Q300 WeakPolarHBondContact O-CB 3.33Å; V296-Q300 VanDerWaalsContact O-CG 3.29Å; V296-Q300 WeakPolarHBondContact O-CG 3.19Å; V296-Q300 PolarHBondContact O-N 3.35Å; G297-Q300 PolarHBondContact O-N 3.37Å; Q300-P305 WeakPolarHBondContact O-CD 3.37Å |
| 301 | Q | 75.5 | Confident | 78 | Confident | 132 Ų | 132 | 57.5 Ų | 57.5 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | I | π-helix | trans | -92.1 | -29.3 | -173.1 | -64.6 | -179.5 | -36.8 | 0 | 0 | 113.4 | G297 | G297-Q301 VanDerWaalsContact O-CB 3.28Å; G297-Q301 WeakPolarHBondContact O-CB 3.03Å; G297-Q301 WeakPolarHBondContact O-CG 3.32Å; G297-Q301 PolarHBondContact O-N 2.88Å |
| 302 | W | 78 | Confident | 76.8 | Confident | 110 Ų | 110 | 61.9 Ų | 61.9 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | I | π-helix | trans | -111.1 | -52.9 | -176 | -164.1 | -8.5 | 0 | 0 | 0 | 111.8 | L298 T306 V331 P332 L335 | L298-W302 HydrophobicContact CD2-CE3 3.96Å; L298-W302 HydrophobicContact CD2-CZ3 4.48Å; L298-W302 WeakPolarHBondContact O-CA 3.38Å; L298-W302 VanDerWaalsContact O-CB 3.28Å; L298-W302 WeakPolarHBondContact O-CB 3.17Å; L298-W302 PolarHBondContact O-N 3.43Å; W302-T306 WeakPolarHBondContact O-CB 3.39Å; W302-T306 PolarHBondContact O-N 3.13Å; W302-T306 PolarHBondContact O-OG1 2.83Å; W302-V331 HydrophobicContact CH2-CG1 4.27Å; W302-P332 HydrophobicContact CD2-CB 3.76Å; W302-P332 HydrophobicContact CD2-CG 4.33Å; W302-P332 HydrophobicContact CE3-CB 4.07Å; W302-P332 HydrophobicContact CG-CB 4.03Å; W302-P332 HydrophobicContact CG-CG 4.48Å; W302-P332 HydrophobicContact CZ2-CB 4.39Å; W302-P332 HydrophobicContact CZ2-CG 4.48Å; W302-L335 HydrophobicContact CZ3-CD2 4.22Å |
| 303 | M | 77.8 | Confident | 75.5 | Confident | 20 Ų | 20 | 60 Ų | 60 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -73 | -50.9 | -172.6 | -164.8 | 165.5 | 67.5 | 0 | 0 | 112.2 | L298 I299 T306 I307 L329 I336 L473 | L298-M303 PolarHBondContact O-N 3.04Å; L298-M303 VanDerWaalsContact O-N 3.15Å; I299-M303 HydrophobicContact CB-CE 4.21Å; I299-M303 HydrophobicContact CG1-CE 3.78Å; I299-M303 HydrophobicContact CG2-CE 3.84Å; I299-M303 WeakPolarHBondContact O-CB 3.25Å; I299-M303 PolarHBondContact O-N 2.88Å; M303-T306 PolarHBondContact O-N 2.89Å; M303-I307 HydrophobicContact CG-CD1 3.84Å; M303-I307 HydrophobicContact CG-CG1 4.44Å; M303-I307 WeakPolarHBondContact O-CG1 3.14Å; M303-I307 PolarHBondContact O-N 2.8Å; M303-L329 HydrophobicContact CG-CD2 4.33Å; M303-I336 HydrophobicContact CE-CD1 4.31Å; M303-I336 HydrophobicContact SD-CD1 4.1Å; M303-L473 HydrophobicContact SD-CD1 4.11Å |
| 304 | V | 78.3 | Confident | 74.7 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -49.3 | -176.8 | 167 | 0 | 0 | 0 | 0 | 112.6 | I299 T306 I307 Q308 Y480 | I299-V304 HydrophobicContact CG2-CG2 4.2Å; I299-V304 WeakPolarHBondContact O-CG2 3.34Å; I299-V304 PolarHBondContact O-N 3.42Å; V304-T306 VanDerWaalsContact C-N 3.29Å; V304-T306 PolarHBondContact O-N 3.35Å; V304-I307 PolarHBondContact O-N 2.75Å; V304-Q308 HydrophobicContact CG1-CG 4.25Å; V304-Q308 WeakPolarHBondContact O-CB 3.31Å; V304-Q308 WeakPolarHBondContact O-CG 3.36Å; V304-Q308 PolarHBondContact O-N 3.35Å; V304-Y480 WeakPolarHBondContact CG1-OH 3.47Å |
| 305 | P | 77.6 | Confident | 73.6 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63 | -36.2 | 178.2 | -25.4 | 36.9 | 0 | 0 | 0 | 112.6 | Q300 I307 Q308 N309 | Q300-P305 WeakPolarHBondContact O-CD 3.37Å; P305-I307 VanDerWaalsContact C-N 3.32Å; P305-I307 PolarHBondContact O-N 2.83Å; P305-Q308 PolarHBondContact O-N 2.89Å; P305-N309 WeakPolarHBondContact O-CB 3.47Å; P305-N309 PolarHBondContact O-N 3.44Å; P305-N309 PolarHBondContact O-ND2 2.99Å; P305-N309 VanDerWaalsContact O-ND2 3.12Å |
| 306 | T | 76.5 | Confident | 72.8 | Confident | 37 Ų | 37 | 67.6 Ų | 67.6 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 177.8 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | W302 M303 V304 S310 K328 L329 | W302-T306 WeakPolarHBondContact O-CB 3.39Å; W302-T306 PolarHBondContact O-N 3.13Å; W302-T306 PolarHBondContact O-OG1 2.83Å; M303-T306 PolarHBondContact O-N 2.89Å; V304-T306 VanDerWaalsContact C-N 3.29Å; V304-T306 PolarHBondContact O-N 3.35Å; T306-S310 WeakPolarHBondContact O-CB 3.45Å; T306-K328 HydrophobicContact CG2-CB 4.41Å; T306-L329 HydrophobicContact CG2-CD2 3.46Å; T306-L329 VanDerWaalsContact CG2-CD2 3.46Å; T306-L329 HydrophobicContact CG2-CG 4.12Å |
| 307 | I | 76.9 | Confident | 72 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.4 | -46.9 | 173.9 | -64.5 | 174 | 0 | 0 | 0 | 110.4 | M303 V304 P305 N309 S310 L329 Y480 V481 | M303-I307 HydrophobicContact CG-CD1 3.84Å; M303-I307 HydrophobicContact CG-CG1 4.44Å; M303-I307 WeakPolarHBondContact O-CG1 3.14Å; M303-I307 PolarHBondContact O-N 2.8Å; V304-I307 PolarHBondContact O-N 2.75Å; P305-I307 VanDerWaalsContact C-N 3.32Å; P305-I307 PolarHBondContact O-N 2.83Å; I307-N309 VanDerWaalsContact C-N 3.33Å; I307-N309 PolarHBondContact O-N 3.31Å; I307-S310 CarbonylContact O-C 3.45Å; I307-S310 WeakPolarHBondContact O-CA 3.47Å; I307-S310 WeakPolarHBondContact O-CB 3.48Å; I307-S310 PolarHBondContact O-N 3.02Å; I307-S310 VanDerWaalsContact O-N 3.08Å; I307-L329 HydrophobicContact CG1-CD1 4.28Å; I307-L329 HydrophobicContact CG1-CD2 4.17Å; I307-Y480 HydrophobicContact CG2-CD1 3.8Å; I307-Y480 HydrophobicContact CG2-CE1 4.31Å; I307-V481 HydrophobicContact CG2-CG2 4.05Å |
| 308 | Q | 74.3 | Confident | 71.9 | Confident | 95 Ų | 95 | 69.4 Ų | 69.4 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.5 | -30.2 | -179.1 | -74.4 | 177.2 | -26.1 | 0 | 0 | 113.9 | V304 P305 S310 M311 Y480 | V304-Q308 HydrophobicContact CG1-CG 4.25Å; V304-Q308 WeakPolarHBondContact O-CB 3.31Å; V304-Q308 WeakPolarHBondContact O-CG 3.36Å; V304-Q308 PolarHBondContact O-N 3.35Å; P305-Q308 PolarHBondContact O-N 2.89Å; Q308-S310 PolarHBondContact O-N 3.33Å; Q308-M311 WeakPolarHBondContact O-CG 3.37Å; Q308-Y480 HydrophobicContact CG-CE1 4.2Å; Q308-Y480 PolarHBondContact NE2-OH 3.01Å |
| 309 | N | 70.2 | Confident | 71.6 | Confident | 145 Ų | 145 | 77.6 Ų | 77.6 | 78% | 0.775 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 1.4 | 175 | -72.6 | -27.5 | 0 | 0 | 0 | 113.2 | P305 I307 | P305-N309 WeakPolarHBondContact O-CB 3.47Å; P305-N309 PolarHBondContact O-N 3.44Å; P305-N309 PolarHBondContact O-ND2 2.99Å; P305-N309 VanDerWaalsContact O-ND2 3.12Å; I307-N309 VanDerWaalsContact C-N 3.33Å; I307-N309 PolarHBondContact O-N 3.31Å |
| 310 | S | 56.6 | Low | 71.3 | Confident | 19 Ų | 19 | 79.6 Ų | 79.6 | 13% | 0.133 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.5 | 47.1 | -159.7 | -160.5 | 0 | 0 | 0 | 0 | 110.4 | T306 I307 Q308 K312 R325 | T306-S310 WeakPolarHBondContact O-CB 3.45Å; I307-S310 CarbonylContact O-C 3.45Å; I307-S310 WeakPolarHBondContact O-CA 3.47Å; I307-S310 WeakPolarHBondContact O-CB 3.48Å; I307-S310 PolarHBondContact O-N 3.02Å; I307-S310 VanDerWaalsContact O-N 3.08Å; Q308-S310 PolarHBondContact O-N 3.33Å; S310-K312 PolarHBondContact O-N 3.03Å; S310-R325 PolarHBondContact O-NH1 3.47Å; S310-R325 WeakPolarHBondContact OG-CD 3.44Å; S310-R325 PolarHBondContact OG-NE 3.48Å; S310-R325 PolarHBondContact OG-NH1 3.35Å; S310-R325 VanDerWaalsContact OG-NH1 3.11Å; S310-R325 PolarHBondContact OG-NH2 3.19Å |
| 311 | M | 56.5 | Low | 71.3 | Confident | 98 Ų | 98 | 80.3 Ų | 80.3 | 48% | 0.483 | 39% | 0.389 | S | S | . | . | trans | -69 | 52.6 | -168 | -57.4 | -66.6 | -78.4 | 0 | 0 | 115.8 | Q308 E485 | Q308-M311 WeakPolarHBondContact O-CG 3.37Å; M311-E485 HydrophobicContact CE-CG 3.78Å | ||
| 312 | K | 63 | Low | 71.4 | Confident | 112 Ų | 112 | 75 Ų | 75 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -132.4 | 124.1 | 167.1 | -72 | -166.1 | 176.5 | -170.3 | 0 | 109.4 | S310 M317 R325 | S310-K312 PolarHBondContact O-N 3.03Å; K312-M317 HydrophobicContact CB-CG 3.89Å; K312-M317 HydrophobicContact CB-SD 4.17Å; K312-R325 PolarHBondContact O-NH1 2.92Å |
| 313 | P | 61.4 | Low | 71.5 | Confident | 18 Ų | 18 | 74.8 Ų | 74.8 | 12% | 0.117 | 37% | 0.371 | C | S | . | . | trans | -53.2 | 142.3 | 171.5 | -22.1 | 29.8 | 0 | 0 | 0 | 110.6 | K315 D316 M317 V481 | P313-K315 PolarHBondContact O-N 2.97Å; P313-D316 PolarHBondContact O-N 3.5Å; P313-D316 VanDerWaalsContact O-N 3.17Å; P313-M317 WeakPolarHBondContact O-CG 3.27Å; P313-V481 HydrophobicContact CB-CG1 4.47Å; P313-V481 HydrophobicContact CG-CG1 3.75Å | ||
| 314 | F | 67.3 | Low | 71.6 | Confident | 6 Ų | 6 | 78.8 Ų | 78.8 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -59.8 | -20.9 | -179.5 | -75.6 | -57.7 | 0 | 0 | 0 | 113.1 | D316 M317 I322 R325 L326 W432 M474 H477 D478 | F314-D316 VanDerWaalsContact C-N 3.3Å; F314-D316 PolarHBondContact O-N 3.38Å; F314-M317 HydrophobicContact CD1-SD 4.05Å; F314-I322 HydrophobicContact CD1-CB 4.25Å; F314-I322 HydrophobicContact CD1-CD1 4.49Å; F314-I322 HydrophobicContact CD1-CG1 3.97Å; F314-I322 HydrophobicContact CD1-CG2 3.81Å; F314-I322 HydrophobicContact CE1-CB 4.49Å; F314-I322 HydrophobicContact CE1-CG2 3.98Å; F314-I322 WeakPolarHBondContact O-CD1 3.21Å; F314-R325 HydrophobicContact CE1-CB 4.22Å; F314-L326 HydrophobicContact CE1-CD2 4.4Å; F314-L326 HydrophobicContact CE1-CG 4.43Å; F314-L326 HydrophobicContact CE2-CD2 4.32Å; F314-L326 HydrophobicContact CZ-CD2 3.81Å; F314-L326 HydrophobicContact CZ-CG 4.31Å; F314-W432 HydrophobicContact CB-CH2 4.34Å; F314-M474 HydrophobicContact CD2-CB 4.3Å; F314-M474 HydrophobicContact CD2-CG 4.28Å; F314-M474 HydrophobicContact CE2-CG 4.25Å; F314-H477 HydrophobicContact CD2-CB 4.18Å; F314-H477 AromaticContact CD2-CE1 3.86Å; F314-H477 AromaticContact CD2-CG 3.79Å; F314-H477 AromaticContact CD2-ND1 3.3Å; F314-H477 VanDerWaalsContact CD2-ND1 3.3Å; F314-H477 WeakPolarHBondContact CD2-ND1 3.17Å; F314-H477 HydrophobicContact CE2-CB 3.7Å; F314-H477 AromaticContact CE2-CD2 3.78Å; F314-H477 AromaticContact CE2-CE1 3.75Å; F314-H477 AromaticContact CE2-CG 3.32Å; F314-H477 AromaticContact CE2-ND1 3.31Å; F314-H477 VanDerWaalsContact CE2-ND1 3.31Å; F314-H477 WeakPolarHBondContact CE2-ND1 3.26Å; F314-D478 WeakPolarHBondContact CD2-OD1 3.27Å; F314-D478 PolarHBondContact N-OD1 3.46Å; F314-D478 PolarHBondContact N-OD2 2.91Å |
| 315 | K | 62.3 | Low | 71.5 | Confident | 155 Ų | 155 | 80 Ų | 80 | 67% | 0.674 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -59.1 | -36.6 | 177.5 | -171.2 | -175.1 | 173.3 | -167.9 | 0 | 113.6 | P313 | P313-K315 PolarHBondContact O-N 2.97Š|
| 316 | D | 68.6 | Low | 71.7 | Confident | 118 Ų | 118 | 79 Ų | 79 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -108.6 | 20 | -170.2 | -52.9 | -38 | 0 | 0 | 0 | 112.1 | P313 F314 | P313-D316 PolarHBondContact O-N 3.5Å; P313-D316 VanDerWaalsContact O-N 3.17Å; F314-D316 VanDerWaalsContact C-N 3.3Å; F314-D316 PolarHBondContact O-N 3.38Å |
| 317 | M | 68.4 | Low | 71.9 | Confident | 19 Ų | 19 | 82.4 Ų | 82.4 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -110.4 | 141.9 | -172.1 | -77.7 | -165 | 77 | 0 | 0 | 113.5 | K312 P313 F314 R321 I322 R325 | K312-M317 HydrophobicContact CB-CG 3.89Å; K312-M317 HydrophobicContact CB-SD 4.17Å; P313-M317 WeakPolarHBondContact O-CG 3.27Å; F314-M317 HydrophobicContact CD1-SD 4.05Å; M317-R321 HydrophobicContact CE-CB 3.35Å; M317-R321 HydrophobicContact CE-CG 4.46Å; M317-I322 HydrophobicContact CB-CD1 4.08Å; M317-I322 HydrophobicContact CB-CG1 3.67Å; M317-R325 VanDerWaalsContact CE-CD 3.44Å; M317-R325 VanDerWaalsContact SD-CZ 3.52Å; M317-R325 PolarHBondContact SD-NH1 2.97Å |
| 318 | D | 78.8 | Confident | 72.1 | Confident | 107 Ų | 107 | 87.9 Ų | 87.9 | 57% | 0.572 | 42% | 0.424 | S | S | * | . | trans | -61.8 | 137 | 168.6 | -63 | -40.1 | 0 | 0 | 0 | 111.4 | S320 R321 I322 | D318-S320 PolarHBondContact O-N 2.78Å; D318-S320 VanDerWaalsContact O-N 3.09Å; D318-R321 WeakPolarHBondContact O-CB 3.33Å; D318-R321 PolarHBondContact O-N 3.46Å; D318-I322 WeakPolarHBondContact O-CG1 3.21Å; D318-I322 PolarHBondContact O-N 3.27Å; D318-I322 VanDerWaalsContact O-N 3.08Å | ||
| 319 | Y | 76.3 | Confident | 72.6 | Confident | 198 Ų | 198 | 83.6 Ų | 83.6 | 78% | 0.776 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -50.7 | -38.5 | -178.5 | -70.6 | -72.2 | 0 | 0 | 0 | 114 | R321 I322 I323 | Y319-R321 VanDerWaalsContact C-N 3.33Å; Y319-R321 PolarHBondContact O-N 3.36Å; Y319-I322 HydrophobicContact CD1-CD1 4.47Å; Y319-I322 WeakPolarHBondContact O-CB 3.38Å; Y319-I322 PolarHBondContact O-N 3.23Å; Y319-I323 WeakPolarHBondContact O-CG1 3.3Å; Y319-I323 PolarHBondContact O-N 2.77Å |
| 320 | S | 76.8 | Confident | 73.3 | Confident | 98 Ų | 98 | 76.8 Ų | 76.8 | 69% | 0.685 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62 | -39.5 | 177.7 | -54.4 | 0 | 0 | 0 | 0 | 112.6 | D318 I323 E324 | D318-S320 PolarHBondContact O-N 2.78Å; D318-S320 VanDerWaalsContact O-N 3.09Å; S320-I323 PolarHBondContact O-N 3.21Å; S320-E324 PolarHBondContact O-N 3.07Å |
| 321 | R | 77.4 | Confident | 74.7 | Confident | 133 Ų | 133 | 80.2 Ų | 80.2 | 50% | 0.502 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -74.5 | -32.1 | 177.5 | -64.1 | -179.2 | 174.9 | -170.8 | -0.9 | 111.7 | M317 D318 Y319 R325 | M317-R321 HydrophobicContact CE-CB 3.35Å; M317-R321 HydrophobicContact CE-CG 4.46Å; D318-R321 WeakPolarHBondContact O-CB 3.33Å; D318-R321 PolarHBondContact O-N 3.46Å; Y319-R321 VanDerWaalsContact C-N 3.33Å; Y319-R321 PolarHBondContact O-N 3.36Å; R321-R325 WeakPolarHBondContact O-CB 3.28Å; R321-R325 VanDerWaalsContact O-CG 3.24Å; R321-R325 WeakPolarHBondContact O-CG 3.46Å; R321-R325 PolarHBondContact O-N 2.86Å; R321-R325 VanDerWaalsContact O-N 3.13Å |
| 322 | I | 76.6 | Confident | 76.1 | Confident | 21 Ų | 21 | 75.6 Ų | 75.6 | 11% | 0.108 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60 | -50 | 172.3 | -60.4 | -176.7 | 0 | 0 | 0 | 109.5 | F314 M317 D318 Y319 E324 R325 L326 | F314-I322 HydrophobicContact CD1-CB 4.25Å; F314-I322 HydrophobicContact CD1-CD1 4.49Å; F314-I322 HydrophobicContact CD1-CG1 3.97Å; F314-I322 HydrophobicContact CD1-CG2 3.81Å; F314-I322 HydrophobicContact CE1-CB 4.49Å; F314-I322 HydrophobicContact CE1-CG2 3.98Å; F314-I322 WeakPolarHBondContact O-CD1 3.21Å; M317-I322 HydrophobicContact CB-CD1 4.08Å; M317-I322 HydrophobicContact CB-CG1 3.67Å; D318-I322 WeakPolarHBondContact O-CG1 3.21Å; D318-I322 PolarHBondContact O-N 3.27Å; D318-I322 VanDerWaalsContact O-N 3.08Å; Y319-I322 HydrophobicContact CD1-CD1 4.47Å; Y319-I322 WeakPolarHBondContact O-CB 3.38Å; Y319-I322 PolarHBondContact O-N 3.23Å; I322-E324 PolarHBondContact O-N 3.21Å; I322-R325 PolarHBondContact O-N 3.11Å; I322-L326 HydrophobicContact CG2-CD1 3.72Å; I322-L326 HydrophobicContact CG2-CG 4.1Å; I322-L326 WeakPolarHBondContact O-CB 3.25Å; I322-L326 VanDerWaalsContact O-CG 3.26Å; I322-L326 WeakPolarHBondContact O-CG 3.49Å; I322-L326 PolarHBondContact O-N 3.29Å |
| 323 | I | 79.3 | Confident | 77.3 | Confident | 105 Ų | 105 | 70.7 Ų | 70.7 | 54% | 0.538 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | -178.7 | -66.7 | 167.5 | 0 | 0 | 0 | 111.4 | Y319 S320 R325 L326 L327 | Y319-I323 WeakPolarHBondContact O-CG1 3.3Å; Y319-I323 PolarHBondContact O-N 2.77Å; S320-I323 PolarHBondContact O-N 3.21Å; I323-R325 VanDerWaalsContact C-N 3.3Å; I323-R325 PolarHBondContact O-N 3.23Å; I323-L326 PolarHBondContact O-N 3.24Å; I323-L327 HydrophobicContact CG2-CD1 3.97Å; I323-L327 WeakPolarHBondContact O-CG 3.37Å; I323-L327 PolarHBondContact O-N 3.1Å |
| 324 | E | 81.6 | Confident | 78.6 | Confident | 103 Ų | 103 | 71 Ų | 71 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.8 | -44.6 | 177.7 | -169.6 | -158 | 145.3 | 0 | 0 | 111.7 | S320 I322 L327 K328 | S320-E324 PolarHBondContact O-N 3.07Å; I322-E324 PolarHBondContact O-N 3.21Å; E324-L327 PolarHBondContact O-N 3.43Å; E324-K328 PolarHBondContact O-N 3.41Å; E324-K328 WeakPolarHBondContact OE1-CE 3.29Å; E324-K328 IonicContact OE1-NZ 3.87Å; E324-K328 PolarHBondContact OE1-NZ 3Å |
| 325 | R | 76.4 | Confident | 79.7 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 16% | 0.158 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.6 | -43.1 | 179.1 | -71.9 | 176 | -177.4 | -150.6 | -11.4 | 112.3 | S310 K312 F314 M317 R321 I322 I323 L327 K328 L329 | S310-R325 PolarHBondContact O-NH1 3.47Å; S310-R325 WeakPolarHBondContact OG-CD 3.44Å; S310-R325 PolarHBondContact OG-NE 3.48Å; S310-R325 PolarHBondContact OG-NH1 3.35Å; S310-R325 VanDerWaalsContact OG-NH1 3.11Å; S310-R325 PolarHBondContact OG-NH2 3.19Å; K312-R325 PolarHBondContact O-NH1 2.92Å; F314-R325 HydrophobicContact CE1-CB 4.22Å; M317-R325 VanDerWaalsContact CE-CD 3.44Å; M317-R325 VanDerWaalsContact SD-CZ 3.52Å; M317-R325 PolarHBondContact SD-NH1 2.97Å; R321-R325 WeakPolarHBondContact O-CB 3.28Å; R321-R325 VanDerWaalsContact O-CG 3.24Å; R321-R325 WeakPolarHBondContact O-CG 3.46Å; R321-R325 PolarHBondContact O-N 2.86Å; R321-R325 VanDerWaalsContact O-N 3.13Å; I322-R325 PolarHBondContact O-N 3.11Å; I323-R325 VanDerWaalsContact C-N 3.3Å; I323-R325 PolarHBondContact O-N 3.23Å; R325-L327 VanDerWaalsContact C-N 3.27Å; R325-L327 PolarHBondContact O-N 3.24Å; R325-K328 PolarHBondContact O-N 3.37Å; R325-L329 PolarHBondContact O-N 2.99Å; R325-L329 VanDerWaalsContact O-N 3.12Å |
| 326 | L | 80.3 | Confident | 81 | Confident | 23 Ų | 23 | 67.3 Ų | 67.3 | 12% | 0.12 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 177 | -76.2 | -179.3 | 0 | 0 | 0 | 111.1 | F314 I322 I323 K328 L329 A330 I470 L473 M474 | F314-L326 HydrophobicContact CE1-CD2 4.4Å; F314-L326 HydrophobicContact CE1-CG 4.43Å; F314-L326 HydrophobicContact CE2-CD2 4.32Å; F314-L326 HydrophobicContact CZ-CD2 3.81Å; F314-L326 HydrophobicContact CZ-CG 4.31Å; I322-L326 HydrophobicContact CG2-CD1 3.72Å; I322-L326 HydrophobicContact CG2-CG 4.1Å; I322-L326 WeakPolarHBondContact O-CB 3.25Å; I322-L326 VanDerWaalsContact O-CG 3.26Å; I322-L326 WeakPolarHBondContact O-CG 3.49Å; I322-L326 PolarHBondContact O-N 3.29Å; I323-L326 PolarHBondContact O-N 3.24Å; L326-K328 PolarHBondContact O-N 2.87Å; L326-L329 CarbonylContact O-C 3.57Å; L326-L329 PolarHBondContact O-N 2.94Å; L326-A330 WeakPolarHBondContact O-CA 3.37Å; L326-A330 VanDerWaalsContact O-CB 3.27Å; L326-A330 WeakPolarHBondContact O-CB 3.35Å; L326-A330 PolarHBondContact O-N 2.95Å; L326-I470 HydrophobicContact CB-CD1 4.4Å; L326-I470 HydrophobicContact CD1-CG2 3.83Å; L326-I470 HydrophobicContact CD2-CG2 3.71Å; L326-I470 HydrophobicContact CG-CG2 4.29Å; L326-L473 HydrophobicContact CD2-CD2 4.3Å; L326-M474 HydrophobicContact CD1-SD 4.46Å; L326-M474 HydrophobicContact CD2-CG 4.02Å |
| 327 | L | 81.8 | Confident | 82.2 | Confident | 109 Ų | 109 | 65.8 Ų | 65.8 | 57% | 0.571 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.1 | -40.9 | 175.7 | -74.6 | 165.7 | 0 | 0 | 0 | 112.5 | I323 E324 R325 L329 A330 | I323-L327 HydrophobicContact CG2-CD1 3.97Å; I323-L327 WeakPolarHBondContact O-CG 3.37Å; I323-L327 PolarHBondContact O-N 3.1Å; E324-L327 PolarHBondContact O-N 3.43Å; R325-L327 VanDerWaalsContact C-N 3.27Å; R325-L327 PolarHBondContact O-N 3.24Å; L327-L329 VanDerWaalsContact C-N 3.29Å; L327-L329 PolarHBondContact O-N 2.95Å; L327-A330 PolarHBondContact O-N 2.97Å |
| 328 | K | 80.8 | Confident | 83.3 | Confident | 121 Ų | 121 | 67.6 Ų | 67.6 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.3 | -35.8 | 175.4 | -70.7 | 177.8 | -173.1 | 168.1 | 0 | 112.4 | T306 E324 R325 L326 | T306-K328 HydrophobicContact CG2-CB 4.41Å; E324-K328 PolarHBondContact O-N 3.41Å; E324-K328 WeakPolarHBondContact OE1-CE 3.29Å; E324-K328 IonicContact OE1-NZ 3.87Å; E324-K328 PolarHBondContact OE1-NZ 3Å; R325-K328 PolarHBondContact O-N 3.37Å; L326-K328 PolarHBondContact O-N 2.87Å |
| 329 | L | 84.5 | Confident | 84 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -90.4 | -15.7 | -178.9 | -65.8 | 171 | 0 | 0 | 0 | 113.8 | M303 T306 I307 R325 L326 L327 V331 P332 N333 L473 | M303-L329 HydrophobicContact CG-CD2 4.33Å; T306-L329 HydrophobicContact CG2-CD2 3.46Å; T306-L329 VanDerWaalsContact CG2-CD2 3.46Å; T306-L329 HydrophobicContact CG2-CG 4.12Å; I307-L329 HydrophobicContact CG1-CD1 4.28Å; I307-L329 HydrophobicContact CG1-CD2 4.17Å; R325-L329 PolarHBondContact O-N 2.99Å; R325-L329 VanDerWaalsContact O-N 3.12Å; L326-L329 CarbonylContact O-C 3.57Å; L326-L329 PolarHBondContact O-N 2.94Å; L327-L329 VanDerWaalsContact C-N 3.29Å; L327-L329 PolarHBondContact O-N 2.95Å; L329-V331 PolarHBondContact O-N 3Å; L329-P332 WeakPolarHBondContact O-CD 3.48Å; L329-P332 WeakPolarHBondContact O-CG 3.29Å; L329-N333 WeakPolarHBondContact O-CB 3.36Å; L329-N333 PolarHBondContact O-N 2.98Å; L329-L473 HydrophobicContact CB-CD2 3.58Å; L329-L473 HydrophobicContact CD1-CD2 4.2Å |
| 330 | A | 85.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L326 L327 H334 I465 I470 | L326-A330 WeakPolarHBondContact O-CA 3.37Å; L326-A330 VanDerWaalsContact O-CB 3.27Å; L326-A330 WeakPolarHBondContact O-CB 3.35Å; L326-A330 PolarHBondContact O-N 2.95Å; L327-A330 PolarHBondContact O-N 2.97Å; A330-H334 VanDerWaalsContact O-CB 3.25Å; A330-H334 WeakPolarHBondContact O-CB 3.3Å; A330-H334 PolarHBondContact O-N 3.23Å; A330-I465 HydrophobicContact CB-CG2 3.96Å; A330-I470 HydrophobicContact CB-CD1 4.16Å |
| 331 | V | 85 | Confident | 85.7 | Confident | 90 Ų | 90 | 52.9 Ų | 52.9 | 55% | 0.545 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.6 | -56.2 | -180 | 178.7 | 0 | 0 | 0 | 0 | 112.4 | W302 L329 N333 H334 L335 | W302-V331 HydrophobicContact CH2-CG1 4.27Å; L329-V331 PolarHBondContact O-N 3Å; V331-N333 VanDerWaalsContact C-N 3.28Å; V331-N333 PolarHBondContact O-N 2.94Å; V331-H334 PolarHBondContact O-N 3.34Å; V331-L335 PolarHBondContact O-N 3.37Å |
| 332 | P | 85.3 | Confident | 86.6 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -37.1 | 178 | 21.3 | -31.6 | 0 | 0 | 0 | 112.3 | W302 L329 L335 I336 | W302-P332 HydrophobicContact CD2-CB 3.76Å; W302-P332 HydrophobicContact CD2-CG 4.33Å; W302-P332 HydrophobicContact CE3-CB 4.07Å; W302-P332 HydrophobicContact CG-CB 4.03Å; W302-P332 HydrophobicContact CG-CG 4.48Å; W302-P332 HydrophobicContact CZ2-CB 4.39Å; W302-P332 HydrophobicContact CZ2-CG 4.48Å; L329-P332 WeakPolarHBondContact O-CD 3.48Å; L329-P332 WeakPolarHBondContact O-CG 3.29Å; P332-L335 PolarHBondContact O-N 3.19Å; P332-I336 WeakPolarHBondContact O-CD1 3.39Å; P332-I336 VanDerWaalsContact O-CG1 3.3Å; P332-I336 WeakPolarHBondContact O-CG1 3.42Å; P332-I336 PolarHBondContact O-N 2.67Å |
| 333 | N | 87.8 | Confident | 87.5 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.6 | -51.3 | 173.7 | 176.7 | 63.6 | 0 | 0 | 0 | 111.3 | L329 V331 L335 I336 W337 P469 L473 | L329-N333 WeakPolarHBondContact O-CB 3.36Å; L329-N333 PolarHBondContact O-N 2.98Å; V331-N333 VanDerWaalsContact C-N 3.28Å; V331-N333 PolarHBondContact O-N 2.94Å; N333-L335 VanDerWaalsContact C-N 3.31Å; N333-L335 PolarHBondContact O-N 3.46Å; N333-I336 PolarHBondContact O-N 3.08Å; N333-W337 VanDerWaalsContact O-CD1 3.24Å; N333-W337 PolarHBondContact O-N 2.79Å; N333-W337 PolarHBondContact OD1-NE1 3.28Å; N333-P469 WeakPolarHBondContact ND2-CB 3.4Å; N333-P469 PolarHBondContact ND2-O 3Å; N333-L473 HydrophobicContact CB-CD2 4.25Å |
| 334 | H | 90.3 | Very high | 88.3 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 11% | 0.106 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 179.6 | -175.4 | 73 | 0 | 0 | 0 | 111.9 | A330 V331 I336 W337 L338 W461 L464 I465 | A330-H334 VanDerWaalsContact O-CB 3.25Å; A330-H334 WeakPolarHBondContact O-CB 3.3Å; A330-H334 PolarHBondContact O-N 3.23Å; V331-H334 PolarHBondContact O-N 3.34Å; H334-I336 PolarHBondContact O-N 3.32Å; H334-W337 WeakPolarHBondContact O-CB 3.21Å; H334-W337 PolarHBondContact O-N 3.04Å; H334-W337 VanDerWaalsContact O-N 3.16Å; H334-L338 WeakPolarHBondContact O-CG 3.46Å; H334-L338 PolarHBondContact O-N 3.12Å; H334-W461 AromaticContact CE1-CZ3 3.89Å; H334-W461 AromaticContact NE2-CE3 3.78Å; H334-W461 AromaticContact NE2-CZ3 3.53Å; H334-L464 PolarHBondContact ND1-O 2.88Å; H334-I465 HydrophobicContact CB-CG1 4.19Å |
| 335 | L | 89.6 | Confident | 88.9 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 34% | 0.335 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 176 | -172.6 | 62.3 | 0 | 0 | 0 | 112 | L298 W302 V331 P332 N333 W337 L338 I339 | L298-L335 HydrophobicContact CD1-CD2 3.9Å; L298-L335 HydrophobicContact CD1-CG 4.14Å; L298-L335 HydrophobicContact CD2-CD2 4.09Å; W302-L335 HydrophobicContact CZ3-CD2 4.22Å; V331-L335 PolarHBondContact O-N 3.37Å; P332-L335 PolarHBondContact O-N 3.19Å; N333-L335 VanDerWaalsContact C-N 3.31Å; N333-L335 PolarHBondContact O-N 3.46Å; L335-W337 VanDerWaalsContact C-N 3.31Å; L335-W337 PolarHBondContact O-N 3.02Å; L335-L338 PolarHBondContact O-N 2.9Å; L335-I339 HydrophobicContact CD1-CD1 4.48Å; L335-I339 HydrophobicContact CG-CD1 4.08Å; L335-I339 VanDerWaalsContact O-CG1 3.3Å; L335-I339 WeakPolarHBondContact O-CG1 3.4Å; L335-I339 PolarHBondContact O-N 3.4Å |
| 336 | I | 89.9 | Confident | 89.8 | Confident | 20 Ų | 20 | 44 Ų | 44 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | 175.2 | -69.1 | 162.1 | 0 | 0 | 0 | 110.5 | L298 I299 M303 P332 N333 H334 I339 F340 | L298-I336 HydrophobicContact CB-CD1 4.41Å; L298-I336 HydrophobicContact CB-CG1 4.16Å; L298-I336 HydrophobicContact CD1-CG1 4.33Å; I299-I336 HydrophobicContact CG1-CD1 3.66Å; I299-I336 HydrophobicContact CG1-CG1 4.5Å; M303-I336 HydrophobicContact CE-CD1 4.31Å; M303-I336 HydrophobicContact SD-CD1 4.1Å; P332-I336 WeakPolarHBondContact O-CD1 3.39Å; P332-I336 VanDerWaalsContact O-CG1 3.3Å; P332-I336 WeakPolarHBondContact O-CG1 3.42Å; P332-I336 PolarHBondContact O-N 2.67Å; N333-I336 PolarHBondContact O-N 3.08Å; H334-I336 PolarHBondContact O-N 3.32Å; I336-I339 PolarHBondContact O-N 3.19Å; I336-F340 VanDerWaalsContact O-CB 3.25Å; I336-F340 WeakPolarHBondContact O-CB 3.3Å; I336-F340 PolarHBondContact O-N 2.98Å |
| 337 | W | 93.4 | Very high | 90.6 | Very high | 87 Ų | 87 | 42.9 Ų | 42.9 | 33% | 0.33 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.1 | -38.5 | 176.6 | -86.1 | 95.2 | 0 | 0 | 0 | 113.4 | N333 H334 L335 F340 F341 P469 V472 | N333-W337 VanDerWaalsContact O-CD1 3.24Å; N333-W337 PolarHBondContact O-N 2.79Å; N333-W337 PolarHBondContact OD1-NE1 3.28Å; H334-W337 WeakPolarHBondContact O-CB 3.21Å; H334-W337 PolarHBondContact O-N 3.04Å; H334-W337 VanDerWaalsContact O-N 3.16Å; L335-W337 VanDerWaalsContact C-N 3.31Å; L335-W337 PolarHBondContact O-N 3.02Å; W337-F340 HydrophobicContact CE3-CD1 4.22Å; W337-F340 HydrophobicContact CZ3-CD1 4.29Å; W337-F340 HydrophobicContact CZ3-CE1 4.4Å; W337-F340 PolarHBondContact O-N 3.22Å; W337-F341 WeakPolarHBondContact O-CB 3.44Å; W337-F341 PolarHBondContact O-N 3.07Å; W337-P469 HydrophobicContact CD2-CB 4.37Å; W337-P469 HydrophobicContact CD2-CG 4.44Å; W337-P469 HydrophobicContact CG-CB 4.14Å; W337-P469 HydrophobicContact CG-CG 4.38Å; W337-V472 HydrophobicContact CZ2-CB 4.19Å; W337-V472 HydrophobicContact CZ2-CG1 4.19Å; W337-V472 HydrophobicContact CZ2-CG2 4.15Å |
| 338 | L | 92.7 | Very high | 91.3 | Very high | 56 Ų | 56 | 39 Ų | 39 | 29% | 0.293 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 173.9 | -69.3 | -179.9 | 0 | 0 | 0 | 111.8 | H334 L335 F341 Y342 W367 W461 | H334-L338 WeakPolarHBondContact O-CG 3.46Å; H334-L338 PolarHBondContact O-N 3.12Å; L335-L338 PolarHBondContact O-N 2.9Å; L338-F341 WeakPolarHBondContact O-CB 3.38Å; L338-F341 PolarHBondContact O-N 2.83Å; L338-Y342 PolarHBondContact O-N 2.71Å; L338-Y342 VanDerWaalsContact O-N 3.1Å; L338-W367 HydrophobicContact CD2-CH2 3.64Å; L338-W367 HydrophobicContact CD2-CZ2 4.48Å; L338-W461 HydrophobicContact CD2-CH2 4.34Å; L338-W461 HydrophobicContact CD2-CZ3 4.1Å |
| 339 | I | 92.4 | Very high | 92 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 177.2 | -64 | 162.2 | 0 | 0 | 0 | 110.2 | F291 L294 Q295 L298 L335 I336 F341 Y342 W343 | F291-I339 HydrophobicContact CB-CG2 3.83Å; F291-I339 HydrophobicContact CD1-CG2 3.51Å; F291-I339 HydrophobicContact CE1-CG2 4.42Å; F291-I339 HydrophobicContact CG-CG2 4.01Å; L294-I339 HydrophobicContact CD2-CD1 3.73Å; L294-I339 HydrophobicContact CD2-CG1 4.36Å; L294-I339 HydrophobicContact CG-CD1 4.12Å; Q295-I339 HydrophobicContact CG-CB 4.05Å; Q295-I339 HydrophobicContact CG-CG2 3.54Å; L298-I339 HydrophobicContact CD1-CD1 3.36Å; L335-I339 HydrophobicContact CD1-CD1 4.48Å; L335-I339 HydrophobicContact CG-CD1 4.08Å; L335-I339 VanDerWaalsContact O-CG1 3.3Å; L335-I339 WeakPolarHBondContact O-CG1 3.4Å; L335-I339 PolarHBondContact O-N 3.4Å; I336-I339 PolarHBondContact O-N 3.19Å; I339-F341 VanDerWaalsContact C-N 3.3Å; I339-F341 PolarHBondContact O-N 2.81Å; I339-Y342 PolarHBondContact O-N 3.49Å; I339-W343 VanDerWaalsContact O-CB 3.23Å; I339-W343 WeakPolarHBondContact O-CB 3.33Å; I339-W343 PolarHBondContact O-N 3.12Å |
| 340 | F | 93.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 35.1 Ų | 35.1 | 26% | 0.263 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58 | -43.5 | 175 | 175.5 | -100.2 | 0 | 0 | 0 | 111.2 | I336 W337 Y342 W343 L344 | I336-F340 VanDerWaalsContact O-CB 3.25Å; I336-F340 WeakPolarHBondContact O-CB 3.3Å; I336-F340 PolarHBondContact O-N 2.98Å; W337-F340 HydrophobicContact CE3-CD1 4.22Å; W337-F340 HydrophobicContact CZ3-CD1 4.29Å; W337-F340 HydrophobicContact CZ3-CE1 4.4Å; W337-F340 PolarHBondContact O-N 3.22Å; F340-Y342 PolarHBondContact O-N 3.46Å; F340-W343 AromaticContact CD2-CE3 3.88Å; F340-W343 HydrophobicContact CD2-CE3 3.88Å; F340-W343 HydrophobicContact CD2-CZ3 4.05Å; F340-W343 HydrophobicContact CE2-CE3 4.02Å; F340-W343 AromaticContact CE2-CZ3 3.73Å; F340-W343 HydrophobicContact CE2-CZ3 3.73Å; F340-W343 PolarHBondContact O-N 3.39Å; F340-L344 HydrophobicContact CE1-CD2 3.86Å; F340-L344 HydrophobicContact CE2-CD2 4.29Å; F340-L344 HydrophobicContact CZ-CB 4.43Å; F340-L344 HydrophobicContact CZ-CD2 3.54Å; F340-L344 WeakPolarHBondContact O-CB 3.13Å; F340-L344 PolarHBondContact O-N 3.35Å |
| 341 | F | 95.7 | Very high | 93.1 | Very high | 24 Ų | 24 | 35.3 Ų | 35.3 | 11% | 0.105 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57 | -51.7 | 175.4 | 172 | -91 | 0 | 0 | 0 | 111.5 | W337 L338 I339 F345 Y364 W367 W380 | W337-F341 WeakPolarHBondContact O-CB 3.44Å; W337-F341 PolarHBondContact O-N 3.07Å; L338-F341 WeakPolarHBondContact O-CB 3.38Å; L338-F341 PolarHBondContact O-N 2.83Å; I339-F341 VanDerWaalsContact C-N 3.3Å; I339-F341 PolarHBondContact O-N 2.81Å; F341-F345 HydrophobicContact CD2-CB 4.27Å; F341-F345 AromaticContact CD2-CD2 3.49Å; F341-F345 HydrophobicContact CD2-CD2 3.49Å; F341-F345 VanDerWaalsContact CD2-CD2 3.49Å; F341-F345 HydrophobicContact CD2-CE2 4.18Å; F341-F345 HydrophobicContact CD2-CG 4.15Å; F341-F345 HydrophobicContact CE2-CB 3.92Å; F341-F345 AromaticContact CE2-CD2 3.78Å; F341-F345 HydrophobicContact CE2-CD2 3.78Å; F341-F345 AromaticContact CE2-CG 3.98Å; F341-F345 HydrophobicContact CE2-CG 3.98Å; F341-F345 HydrophobicContact CG-CD2 4.3Å; F341-F345 HydrophobicContact CZ-CB 4.2Å; F341-F345 WeakPolarHBondContact O-CB 3.47Å; F341-F345 PolarHBondContact O-N 3.23Å; F341-Y364 HydrophobicContact CE1-CD2 4.32Å; F341-Y364 HydrophobicContact CE1-CE2 4.46Å; F341-Y364 HydrophobicContact CE1-CG 4.37Å; F341-Y364 HydrophobicContact CE2-CG 4.41Å; F341-Y364 AromaticContact CZ-CD1 3.86Å; F341-Y364 HydrophobicContact CZ-CD1 3.86Å; F341-Y364 AromaticContact CZ-CD2 3.81Å; F341-Y364 HydrophobicContact CZ-CD2 3.81Å; F341-Y364 HydrophobicContact CZ-CE1 4.41Å; F341-Y364 HydrophobicContact CZ-CE2 4.36Å; F341-Y364 AromaticContact CZ-CG 3.54Å; F341-Y364 HydrophobicContact CZ-CG 3.54Å; F341-W367 AromaticContact CD1-CZ2 3.71Å; F341-W367 HydrophobicContact CD1-CZ2 3.71Å; F341-W367 HydrophobicContact CD2-CZ2 4.3Å; F341-W367 AromaticContact CE1-CE2 3.87Å; F341-W367 AromaticContact CE1-CZ2 3.83Å; F341-W367 HydrophobicContact CE1-CZ2 3.83Å; F341-W367 AromaticContact CE1-NE1 3.28Å; F341-W367 VanDerWaalsContact CE1-NE1 3.28Å; F341-W367 HydrophobicContact CE2-CZ2 4.4Å; F341-W367 AromaticContact CE2-NE1 3.43Å; F341-W367 AromaticContact CG-CZ2 3.99Å; F341-W367 HydrophobicContact CG-CZ2 3.99Å; F341-W367 AromaticContact CZ-CD1 3.81Å; F341-W367 AromaticContact CZ-CE2 3.83Å; F341-W367 HydrophobicContact CZ-CZ2 4.2Å; F341-W367 AromaticContact CZ-NE1 2.94Å; F341-W380 WeakPolarHBondContact CE2-O 3.35Å |
| 342 | Y | 94.8 | Very high | 93.7 | Very high | 59 Ų | 59 | 33.2 Ų | 33.2 | 23% | 0.231 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -65.1 | -41.9 | 179.4 | -170.1 | -81.8 | 0 | 0 | 0 | 112.1 | F291 L338 I339 F340 H346 S347 | F291-Y342 AromaticContact CD2-CD1 3.71Å; F291-Y342 HydrophobicContact CD2-CD1 3.71Å; F291-Y342 HydrophobicContact CD2-CE1 4.03Å; F291-Y342 AromaticContact CE2-CD1 3.26Å; F291-Y342 HydrophobicContact CE2-CD1 3.26Å; F291-Y342 AromaticContact CE2-CE1 3.28Å; F291-Y342 HydrophobicContact CE2-CE1 3.28Å; F291-Y342 HydrophobicContact CE2-CG 4.34Å; F291-Y342 AromaticContact CZ-CD1 3.78Å; F291-Y342 HydrophobicContact CZ-CD1 3.78Å; F291-Y342 AromaticContact CZ-CE1 3.92Å; F291-Y342 HydrophobicContact CZ-CE1 3.92Å; F291-Y342 HydrophobicContact CZ-CG 4.49Å; L338-Y342 PolarHBondContact O-N 2.71Å; L338-Y342 VanDerWaalsContact O-N 3.1Å; I339-Y342 PolarHBondContact O-N 3.49Å; F340-Y342 PolarHBondContact O-N 3.46Å; Y342-H346 HydrophobicContact CD2-CB 4.31Å; Y342-H346 AromaticContact CE1-CD2 3.73Å; Y342-H346 HydrophobicContact CE2-CB 4.46Å; Y342-H346 AromaticContact CE2-CD2 3.61Å; Y342-H346 HydrophobicContact CG-CB 4.39Å; Y342-H346 AromaticContact CZ-CD2 3.3Å; Y342-H346 AromaticContact CZ-NE2 3.94Å; Y342-H346 VanDerWaalsContact O-CB 3.25Å; Y342-H346 WeakPolarHBondContact O-CB 3.27Å; Y342-H346 PolarHBondContact O-N 2.92Å; Y342-H346 PolarHBondContact OH-CD2 3.28Å; Y342-S347 WeakPolarHBondContact CE1-OG 3.4Å; Y342-S347 PolarHBondContact O-N 2.8Å; Y342-S347 PolarHBondContact O-OG 3.43Å |
| 343 | W | 95.9 | Very high | 94.2 | Very high | 60 Ų | 60 | 33.1 Ų | 33.1 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -61.4 | -48.3 | 178.2 | 170.9 | 85.5 | 0 | 0 | 0 | 111.7 | M288 F291 T292 I339 F340 S347 C348 | M288-W343 PolarHBondContact O-NE1 3.07Å; F291-W343 HydrophobicContact CB-CB 4.07Å; F291-W343 HydrophobicContact CB-CG 4.46Å; T292-W343 PolarHBondContact OG1-NE1 3.4Å; I339-W343 VanDerWaalsContact O-CB 3.23Å; I339-W343 WeakPolarHBondContact O-CB 3.33Å; I339-W343 PolarHBondContact O-N 3.12Å; F340-W343 AromaticContact CD2-CE3 3.88Å; F340-W343 HydrophobicContact CD2-CE3 3.88Å; F340-W343 HydrophobicContact CD2-CZ3 4.05Å; F340-W343 HydrophobicContact CE2-CE3 4.02Å; F340-W343 AromaticContact CE2-CZ3 3.73Å; F340-W343 HydrophobicContact CE2-CZ3 3.73Å; F340-W343 PolarHBondContact O-N 3.39Å; W343-S347 WeakPolarHBondContact O-CB 3.47Å; W343-S347 PolarHBondContact O-N 3.45Å; W343-C348 WeakPolarHBondContact O-CB 3.46Å; W343-C348 PolarHBondContact O-N 2.86Å |
| 344 | L | 95.5 | Very high | 94.6 | Very high | 43 Ų | 43 | 32.7 Ų | 32.7 | 23% | 0.225 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -80.4 | -63.2 | -176.3 | -174.5 | 63.3 | 0 | 0 | 0 | 112.1 | F340 C348 L349 | F340-L344 HydrophobicContact CE1-CD2 3.86Å; F340-L344 HydrophobicContact CE2-CD2 4.29Å; F340-L344 HydrophobicContact CZ-CB 4.43Å; F340-L344 HydrophobicContact CZ-CD2 3.54Å; F340-L344 WeakPolarHBondContact O-CB 3.13Å; F340-L344 PolarHBondContact O-N 3.35Å; L344-C348 HydrophobicContact CD1-CB 4.33Å; L344-C348 WeakPolarHBondContact O-CB 3.32Å; L344-C348 PolarHBondContact O-N 3.34Å; L344-L349 WeakPolarHBondContact O-CG 3.38Å; L344-L349 PolarHBondContact O-N 3.38Å |
| 345 | F | 95.9 | Very high | 94.9 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 7% | 0.066 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -76.1 | -29.8 | -168.9 | -70 | -77.9 | 0 | 0 | 0 | 113.3 | F341 L349 Y364 W380 N381 | F341-F345 HydrophobicContact CD2-CB 4.27Å; F341-F345 AromaticContact CD2-CD2 3.49Å; F341-F345 HydrophobicContact CD2-CD2 3.49Å; F341-F345 VanDerWaalsContact CD2-CD2 3.49Å; F341-F345 HydrophobicContact CD2-CE2 4.18Å; F341-F345 HydrophobicContact CD2-CG 4.15Å; F341-F345 HydrophobicContact CE2-CB 3.92Å; F341-F345 AromaticContact CE2-CD2 3.78Å; F341-F345 HydrophobicContact CE2-CD2 3.78Å; F341-F345 AromaticContact CE2-CG 3.98Å; F341-F345 HydrophobicContact CE2-CG 3.98Å; F341-F345 HydrophobicContact CG-CD2 4.3Å; F341-F345 HydrophobicContact CZ-CB 4.2Å; F341-F345 WeakPolarHBondContact O-CB 3.47Å; F341-F345 PolarHBondContact O-N 3.23Å; F345-L349 HydrophobicContact CD1-CD1 3.86Å; F345-Y364 HydrophobicContact CB-CD1 4.05Å; F345-W380 HydrophobicContact CE2-CE3 4.15Å; F345-W380 AromaticContact CE2-CZ3 3.63Å; F345-W380 HydrophobicContact CE2-CZ3 3.63Å; F345-W380 HydrophobicContact CZ-CE3 4.31Å; F345-W380 HydrophobicContact CZ-CH2 4.21Å; F345-W380 AromaticContact CZ-CZ3 3.71Å; F345-W380 HydrophobicContact CZ-CZ3 3.71Å; F345-N381 HydrophobicContact CE1-CB 3.9Å; F345-N381 WeakPolarHBondContact CE1-ND2 3.3Å; F345-N381 HydrophobicContact CZ-CB 4.09Å; F345-N381 WeakPolarHBondContact CZ-ND2 3.28Å |
| 346 | H | 95.1 | Very high | 95.2 | Very high | 39 Ų | 39 | 35.5 Ų | 35.5 | 18% | 0.181 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -91.6 | -64.1 | 174 | -170.2 | 69.1 | 0 | 0 | 0 | 111.2 | R284 Y342 N350 Y364 | R284-H346 PolarHBondContact NH1-CD2 3.14Å; R284-H346 PolarHBondContact NH1-NE2 2.93Å; Y342-H346 HydrophobicContact CD2-CB 4.31Å; Y342-H346 AromaticContact CE1-CD2 3.73Å; Y342-H346 HydrophobicContact CE2-CB 4.46Å; Y342-H346 AromaticContact CE2-CD2 3.61Å; Y342-H346 HydrophobicContact CG-CB 4.39Å; Y342-H346 AromaticContact CZ-CD2 3.3Å; Y342-H346 AromaticContact CZ-NE2 3.94Å; Y342-H346 VanDerWaalsContact O-CB 3.25Å; Y342-H346 WeakPolarHBondContact O-CB 3.27Å; Y342-H346 PolarHBondContact O-N 2.92Å; Y342-H346 PolarHBondContact OH-CD2 3.28Å; H346-N350 WeakPolarHBondContact O-CB 3.24Å; H346-N350 PolarHBondContact O-N 2.93Å; H346-N350 PolarHBondContact O-ND2 3.31Å; H346-Y364 HydrophobicContact CB-CE1 3.86Å; H346-Y364 PolarHBondContact CE1-OH 3.39Å; H346-Y364 AromaticContact ND1-CE1 3.86Å; H346-Y364 AromaticContact ND1-CZ 3.68Å; H346-Y364 PolarHBondContact ND1-OH 3.47Å |
| 347 | S | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -74.5 | -53.3 | -166.7 | -50 | 0 | 0 | 0 | 0 | 112.7 | E287 Y342 W343 A351 | E287-S347 PolarHBondContact OE2-OG 3.43Å; Y342-S347 WeakPolarHBondContact CE1-OG 3.4Å; Y342-S347 PolarHBondContact O-N 2.8Å; Y342-S347 PolarHBondContact O-OG 3.43Å; W343-S347 WeakPolarHBondContact O-CB 3.47Å; W343-S347 PolarHBondContact O-N 3.45Å; S347-A351 WeakPolarHBondContact O-CB 3.47Å; S347-A351 PolarHBondContact O-N 2.77Å |
| 348 | C | 96.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 34 Ų | 34 | 19% | 0.189 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -65.4 | -51.7 | -177.8 | -175.2 | 0 | 0 | 0 | 0 | 112 | M288 W343 L344 N350 A351 V352 | M288-C348 HydrophobicContact CE-CB 4.1Å; M288-C348 HydrophobicContact SD-CB 4.33Å; W343-C348 WeakPolarHBondContact O-CB 3.46Å; W343-C348 PolarHBondContact O-N 2.86Å; L344-C348 HydrophobicContact CD1-CB 4.33Å; L344-C348 WeakPolarHBondContact O-CB 3.32Å; L344-C348 PolarHBondContact O-N 3.34Å; C348-N350 VanDerWaalsContact C-N 3.33Å; C348-N350 PolarHBondContact O-N 2.95Å; C348-A351 WeakPolarHBondContact O-CB 3.38Å; C348-A351 PolarHBondContact O-N 3.43Å; C348-A351 VanDerWaalsContact O-N 3.13Å; C348-V352 WeakPolarHBondContact O-CG2 3.39Å; C348-V352 PolarHBondContact O-N 2.93Å |
| 349 | L | 96.8 | Very high | 95.5 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 17% | 0.168 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -36.5 | 179.1 | -65.5 | -174.4 | 0 | 0 | 0 | 112.7 | P262 L344 F345 A353 F363 | P262-L349 HydrophobicContact CB-CB 4.32Å; P262-L349 HydrophobicContact CB-CD2 3.89Å; L344-L349 WeakPolarHBondContact O-CG 3.38Å; L344-L349 PolarHBondContact O-N 3.38Å; F345-L349 HydrophobicContact CD1-CD1 3.86Å; L349-A353 VanDerWaalsContact O-CB 3.24Å; L349-A353 WeakPolarHBondContact O-CB 3.19Å; L349-A353 PolarHBondContact O-N 3.16Å; L349-F363 HydrophobicContact CB-CD1 4.4Å; L349-F363 HydrophobicContact CB-CD2 3.62Å; L349-F363 HydrophobicContact CB-CE1 4.47Å; L349-F363 HydrophobicContact CB-CE2 3.69Å; L349-F363 HydrophobicContact CB-CG 4.01Å; L349-F363 HydrophobicContact CB-CZ 4.15Å; L349-F363 HydrophobicContact CD1-CB 3.88Å; L349-F363 HydrophobicContact CD1-CD1 3.98Å; L349-F363 HydrophobicContact CD1-CD2 4.21Å; L349-F363 HydrophobicContact CD1-CG 3.74Å |
| 350 | N | 96.5 | Very high | 95.6 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 6% | 0.064 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70 | -34.5 | 173.9 | -84.9 | -83 | 0 | 0 | 0 | 113 | F280 R284 H346 C348 A353 E354 | F280-N350 HydrophobicContact CE1-CB 3.98Å; F280-N350 HydrophobicContact CZ-CB 3.96Å; R284-N350 HydrophobicContact CG-CB 4.29Å; H346-N350 WeakPolarHBondContact O-CB 3.24Å; H346-N350 PolarHBondContact O-N 2.93Å; H346-N350 PolarHBondContact O-ND2 3.31Å; C348-N350 VanDerWaalsContact C-N 3.33Å; C348-N350 PolarHBondContact O-N 2.95Å; N350-A353 PolarHBondContact O-N 3.15Å; N350-E354 VanDerWaalsContact O-CB 3.28Å; N350-E354 WeakPolarHBondContact O-CB 3.28Å; N350-E354 PolarHBondContact O-N 3.41Å |
| 351 | A | 96.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63 | -47.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L281 R284 M288 S347 C348 E354 L355 | L281-A351 HydrophobicContact CD1-CB 4.1Å; R284-A351 HydrophobicContact CB-CB 4.09Å; M288-A351 HydrophobicContact SD-CB 4.02Å; S347-A351 WeakPolarHBondContact O-CB 3.47Å; S347-A351 PolarHBondContact O-N 2.77Å; C348-A351 WeakPolarHBondContact O-CB 3.38Å; C348-A351 PolarHBondContact O-N 3.43Å; C348-A351 VanDerWaalsContact O-N 3.13Å; A351-E354 PolarHBondContact O-N 3.41Å; A351-L355 WeakPolarHBondContact O-CG 3.5Å; A351-L355 PolarHBondContact O-N 2.99Å |
| 352 | V | 97.1 | Very high | 95.5 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 29% | 0.285 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.4 | -45.9 | 174.7 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | F260 P262 C348 E354 L355 M356 | F260-V352 VanDerWaalsContact O-CG1 3.25Å; F260-V352 WeakPolarHBondContact O-CG1 3.23Å; P262-V352 HydrophobicContact CB-CG1 4.48Å; P262-V352 HydrophobicContact CG-CG1 4.49Å; C348-V352 WeakPolarHBondContact O-CG2 3.39Å; C348-V352 PolarHBondContact O-N 2.93Å; V352-E354 VanDerWaalsContact C-N 3.32Å; V352-E354 PolarHBondContact O-N 3.4Å; V352-L355 PolarHBondContact O-N 2.96Å; V352-M356 HydrophobicContact CG1-CG 4.15Å; V352-M356 WeakPolarHBondContact O-CB 2.92Å; V352-M356 VanDerWaalsContact O-CG 3.24Å; V352-M356 WeakPolarHBondContact O-CG 3.29Å; V352-M356 PolarHBondContact O-N 3.45Å |
| 353 | A | 96 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.4 | -42 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P262 L349 N350 Q357 F358 R361 F363 | P262-A353 HydrophobicContact CG-CB 3.81Å; L349-A353 VanDerWaalsContact O-CB 3.24Å; L349-A353 WeakPolarHBondContact O-CB 3.19Å; L349-A353 PolarHBondContact O-N 3.16Å; N350-A353 PolarHBondContact O-N 3.15Å; A353-Q357 CarbonylContact O-C 3.57Å; A353-Q357 WeakPolarHBondContact O-CA 3.26Å; A353-Q357 PolarHBondContact O-N 3.35Å; A353-F358 HydrophobicContact CB-CB 4.18Å; A353-F358 HydrophobicContact CB-CD1 4.47Å; A353-F358 PolarHBondContact O-N 3.33Å; A353-R361 HydrophobicContact CB-CG 4.3Å; A353-F363 HydrophobicContact CB-CE2 4.32Å; A353-F363 HydrophobicContact CB-CZ 3.89Å |
| 354 | E | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.3 | -41.8 | 178.9 | -168.4 | 72.4 | -141.7 | 0 | 0 | 111.5 | I276 R277 F280 L281 N350 A351 V352 Q357 R361 | I276-E354 HydrophobicContact CG2-CG 4.16Å; R277-E354 WeakPolarHBondContact CB-OE1 3.39Å; R277-E354 IonicContact CZ-OE2 3.33Å; R277-E354 PolarHBondContact N-OE1 2.85Å; R277-E354 IonicContact NE-OE1 2.78Å; R277-E354 PolarHBondContact NE-OE1 3.46Å; R277-E354 IonicContact NE-OE2 2.63Å; R277-E354 PolarHBondContact NE-OE2 3.28Å; R277-E354 IonicContact NH2-OE2 3.12Å; R277-E354 PolarHBondContact NH2-OE2 2.93Å; F280-E354 HydrophobicContact CD1-CB 4.24Å; F280-E354 HydrophobicContact CD1-CG 3.98Å; F280-E354 VanDerWaalsContact CD1-OE2 3.27Å; F280-E354 WeakPolarHBondContact CD1-OE2 3.25Å; F280-E354 HydrophobicContact CE1-CB 4.39Å; L281-E354 HydrophobicContact CB-CG 4.25Å; N350-E354 VanDerWaalsContact O-CB 3.28Å; N350-E354 WeakPolarHBondContact O-CB 3.28Å; N350-E354 PolarHBondContact O-N 3.41Å; A351-E354 PolarHBondContact O-N 3.41Å; V352-E354 VanDerWaalsContact C-N 3.32Å; V352-E354 PolarHBondContact O-N 3.4Å; E354-Q357 PolarHBondContact O-N 3.17Å; E354-R361 IonicContact OE1-NH2 3.59Å; E354-R361 IonicContact OE2-CZ 2.83Å; E354-R361 IonicContact OE2-NH1 3.23Å; E354-R361 PolarHBondContact OE2-NH1 3.46Å; E354-R361 IonicContact OE2-NH2 2.62Å; E354-R361 PolarHBondContact OE2-NH2 3.47Å |
| 355 | L | 96.6 | Very high | 95.5 | Very high | 99 Ų | 99 | 36.8 Ų | 36.8 | 52% | 0.518 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.8 | -74.6 | 172.8 | 0 | 0 | 0 | 112.1 | L281 A351 V352 Q357 | L281-L355 HydrophobicContact CD1-CD2 4.3Å; L281-L355 HydrophobicContact CD1-CG 4.04Å; L281-L355 HydrophobicContact CD2-CD2 3.62Å; L281-L355 HydrophobicContact CD2-CG 4.26Å; A351-L355 WeakPolarHBondContact O-CG 3.5Å; A351-L355 PolarHBondContact O-N 2.99Å; V352-L355 PolarHBondContact O-N 2.96Å; L355-Q357 VanDerWaalsContact C-N 3.26Å; L355-Q357 PolarHBondContact O-N 3.16Å |
| 356 | M | 94.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 39.1 Ų | 39.1 | 23% | 0.232 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.5 | -180 | -61.2 | -59.6 | -66 | 0 | 0 | 113 | Y257 F260 R272 V352 F358 | Y257-M356 HydrophobicContact CD2-CE 3.42Å; Y257-M356 VanDerWaalsContact CD2-CE 3.42Å; Y257-M356 HydrophobicContact CE2-CB 3.97Å; Y257-M356 HydrophobicContact CE2-CE 3.6Å; Y257-M356 WeakPolarHBondContact CE2-O 3.38Å; Y257-M356 HydrophobicContact CG-CE 4.33Å; Y257-M356 PolarHBondContact OH-O 3.31Å; F260-M356 HydrophobicContact CB-CE 3.73Å; F260-M356 HydrophobicContact CB-SD 4.03Å; R272-M356 PolarHBondContact NH1-O 3.42Å; R272-M356 VanDerWaalsContact NH1-O 3.11Å; V352-M356 HydrophobicContact CG1-CG 4.15Å; V352-M356 WeakPolarHBondContact O-CB 2.92Å; V352-M356 VanDerWaalsContact O-CG 3.24Å; V352-M356 WeakPolarHBondContact O-CG 3.29Å; V352-M356 PolarHBondContact O-N 3.45Å; M356-F358 PolarHBondContact O-N 3.3Å |
| 357 | Q | 95.8 | Very high | 95.3 | Very high | 70 Ų | 70 | 38 Ų | 38 | 33% | 0.327 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35.6 | -171.5 | -59.2 | 177.8 | -34.8 | 0 | 0 | 113.1 | R272 S273 I276 A353 E354 L355 | R272-Q357 CarbonylContact C-O 3.54Å; R272-Q357 VanDerWaalsContact CA-O 3.27Å; R272-Q357 WeakPolarHBondContact CA-O 3.32Å; R272-Q357 WeakPolarHBondContact CD-O 3.49Å; S273-Q357 PolarHBondContact N-O 3.2Å; I276-Q357 HydrophobicContact CD1-CG 4.39Å; I276-Q357 HydrophobicContact CG1-CG 3.77Å; A353-Q357 CarbonylContact O-C 3.57Å; A353-Q357 WeakPolarHBondContact O-CA 3.26Å; A353-Q357 PolarHBondContact O-N 3.35Å; E354-Q357 PolarHBondContact O-N 3.17Å; L355-Q357 VanDerWaalsContact C-N 3.26Å; L355-Q357 PolarHBondContact O-N 3.16Å |
| 358 | F | 96 | Very high | 95.2 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -77.3 | 126.5 | 175.9 | -170.6 | -119.5 | 0 | 0 | 0 | 110.5 | P262 T263 F270 S273 A353 M356 D360 R361 F363 | P262-F358 HydrophobicContact CG-CD1 3.63Å; P262-F358 HydrophobicContact CG-CE1 4.16Å; P262-F358 HydrophobicContact CG-CG 4.36Å; T263-F358 HydrophobicContact CG2-CE1 4.42Å; T263-F358 HydrophobicContact CG2-CE2 4.2Å; T263-F358 HydrophobicContact CG2-CZ 3.74Å; F270-F358 HydrophobicContact CB-CD2 4.24Å; F270-F358 HydrophobicContact CB-CE2 3.98Å; F270-F358 AromaticContact CD1-CE2 3.67Å; F270-F358 HydrophobicContact CD1-CE2 3.67Å; F270-F358 HydrophobicContact CD1-CZ 4.44Å; F270-F358 HydrophobicContact CE1-CE2 4.45Å; F270-F358 HydrophobicContact CG-CE2 4.03Å; S273-F358 PolarHBondContact OG-O 3.21Å; A353-F358 HydrophobicContact CB-CB 4.18Å; A353-F358 HydrophobicContact CB-CD1 4.47Å; A353-F358 PolarHBondContact O-N 3.33Å; M356-F358 PolarHBondContact O-N 3.3Å; F358-D360 WeakPolarHBondContact CD1-O 3.32Å; F358-D360 HydrophobicContact CE1-CB 3.82Å; F358-D360 WeakPolarHBondContact CE1-O 3.29Å; F358-D360 HydrophobicContact CE2-CB 4.49Å; F358-D360 HydrophobicContact CZ-CB 3.78Å; F358-R361 PolarHBondContact O-NE 3.46Å; F358-F363 HydrophobicContact CE1-CE1 4.39Å |
| 359 | G | 91.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | trans | -86.4 | -31 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P271 R361 | P271-G359 WeakPolarHBondContact O-CA 3.27Å; P271-G359 PolarHBondContact O-N 3.28Å; G359-R361 PolarHBondContact O-N 2.92Å | ||
| 360 | D | 93 | Very high | 94.6 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | trans | -79.9 | 107.9 | 176.8 | -177.7 | 10.5 | 0 | 0 | 0 | 109.7 | P271 F358 E362 K386 | P271-D360 HydrophobicContact CG-CB 3.9Å; F358-D360 WeakPolarHBondContact CD1-O 3.32Å; F358-D360 HydrophobicContact CE1-CB 3.82Å; F358-D360 WeakPolarHBondContact CE1-O 3.29Å; F358-D360 HydrophobicContact CE2-CB 4.49Å; F358-D360 HydrophobicContact CZ-CB 3.78Å; D360-E362 PolarHBondContact OD1-N 3.17Å; D360-K386 IonicContact OD2-NZ 2.76Å | ||
| 361 | R | 93.6 | Very high | 94.3 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | trans | -116 | 16.4 | -176.5 | -58 | -174.5 | -175.3 | -159.2 | 7.7 | 112.8 | S273 R277 F280 A353 E354 F358 G359 F363 | S273-R361 PolarHBondContact OG-NH2 3.09Å; R277-R361 VanDerWaalsContact NH2-CZ 3.25Å; F280-R361 VanDerWaalsContact CE1-NH1 3.35Å; A353-R361 HydrophobicContact CB-CG 4.3Å; E354-R361 IonicContact OE1-NH2 3.59Å; E354-R361 IonicContact OE2-CZ 2.83Å; E354-R361 IonicContact OE2-NH1 3.23Å; E354-R361 PolarHBondContact OE2-NH1 3.46Å; E354-R361 IonicContact OE2-NH2 2.62Å; E354-R361 PolarHBondContact OE2-NH2 3.47Å; F358-R361 PolarHBondContact O-NE 3.46Å; G359-R361 PolarHBondContact O-N 2.92Å; R361-F363 HydrophobicContact CB-CE2 4.13Å; R361-F363 HydrophobicContact CB-CZ 4.34Å; R361-F363 HydrophobicContact CG-CZ 4.47Å; R361-F363 PolarHBondContact O-N 3.44Å | ||
| 362 | E | 94.6 | Very high | 94.1 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | trans | -80.2 | 73.3 | 176.1 | -168.7 | -166.7 | -155.8 | 0 | 0 | 109.7 | D360 R365 I382 K386 | D360-E362 PolarHBondContact OD1-N 3.17Å; E362-R365 IonicContact OE1-CZ 3.54Å; E362-R365 IonicContact OE1-NE 3.51Å; E362-R365 PolarHBondContact OE1-NE 3.13Å; E362-R365 IonicContact OE1-NH2 2.82Å; E362-R365 PolarHBondContact OE1-NH2 3.36Å; E362-R365 IonicContact OE2-NH2 2.72Å; E362-I382 WeakPolarHBondContact O-CB 3.34Å; E362-I382 VanDerWaalsContact O-CG2 3.26Å; E362-I382 WeakPolarHBondContact O-CG2 3.25Å; E362-K386 IonicContact OE2-NZ 3.85Å; E362-K386 PolarHBondContact OE2-NZ 3.24Å | ||
| 363 | F | 95.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -82.9 | -22.4 | 178.9 | -53.9 | -51.5 | 0 | 0 | 0 | 113.2 | P262 L349 A353 F358 R361 I382 P383 | P262-F363 HydrophobicContact CB-CE1 3.79Å; P262-F363 HydrophobicContact CB-CZ 3.96Å; P262-F363 HydrophobicContact CG-CE1 3.76Å; P262-F363 HydrophobicContact CG-CZ 3.64Å; P262-F363 VanDerWaalsContact O-CE1 3.29Å; P262-F363 WeakPolarHBondContact O-CE1 3.35Å; L349-F363 HydrophobicContact CB-CD1 4.4Å; L349-F363 HydrophobicContact CB-CD2 3.62Å; L349-F363 HydrophobicContact CB-CE1 4.47Å; L349-F363 HydrophobicContact CB-CE2 3.69Å; L349-F363 HydrophobicContact CB-CG 4.01Å; L349-F363 HydrophobicContact CB-CZ 4.15Å; L349-F363 HydrophobicContact CD1-CB 3.88Å; L349-F363 HydrophobicContact CD1-CD1 3.98Å; L349-F363 HydrophobicContact CD1-CD2 4.21Å; L349-F363 HydrophobicContact CD1-CG 3.74Å; A353-F363 HydrophobicContact CB-CE2 4.32Å; A353-F363 HydrophobicContact CB-CZ 3.89Å; F358-F363 HydrophobicContact CE1-CE1 4.39Å; R361-F363 HydrophobicContact CB-CE2 4.13Å; R361-F363 HydrophobicContact CB-CZ 4.34Å; R361-F363 HydrophobicContact CG-CZ 4.47Å; R361-F363 PolarHBondContact O-N 3.44Å; F363-I382 WeakPolarHBondContact O-CB 3.14Å; F363-I382 PolarHBondContact O-N 3.38Å; F363-P383 HydrophobicContact CD1-CG 4.14Å; F363-P383 WeakPolarHBondContact O-CD 3.48Å |
| 364 | Y | 96.6 | Very high | 93.5 | Very high | 50 Ų | 50 | 51.5 Ų | 51.5 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | trans | -155.3 | 161.5 | 179.1 | 61 | -92.2 | 0 | 0 | 0 | 109.4 | F341 F345 H346 W368 N379 W380 | F341-Y364 HydrophobicContact CE1-CD2 4.32Å; F341-Y364 HydrophobicContact CE1-CE2 4.46Å; F341-Y364 HydrophobicContact CE1-CG 4.37Å; F341-Y364 HydrophobicContact CE2-CG 4.41Å; F341-Y364 AromaticContact CZ-CD1 3.86Å; F341-Y364 HydrophobicContact CZ-CD1 3.86Å; F341-Y364 AromaticContact CZ-CD2 3.81Å; F341-Y364 HydrophobicContact CZ-CD2 3.81Å; F341-Y364 HydrophobicContact CZ-CE1 4.41Å; F341-Y364 HydrophobicContact CZ-CE2 4.36Å; F341-Y364 AromaticContact CZ-CG 3.54Å; F341-Y364 HydrophobicContact CZ-CG 3.54Å; F345-Y364 HydrophobicContact CB-CD1 4.05Å; H346-Y364 HydrophobicContact CB-CE1 3.86Å; H346-Y364 PolarHBondContact CE1-OH 3.39Å; H346-Y364 AromaticContact ND1-CE1 3.86Å; H346-Y364 AromaticContact ND1-CZ 3.68Å; H346-Y364 PolarHBondContact ND1-OH 3.47Å; Y364-W368 HydrophobicContact CD2-CZ3 4.22Å; Y364-W368 HydrophobicContact CE2-CH2 4.32Å; Y364-W368 HydrophobicContact CE2-CZ3 4.05Å; Y364-N379 WeakPolarHBondContact CA-O 3.43Å; Y364-W380 WeakPolarHBondContact CB-O 3.46Å | ||
| 365 | R | 94.4 | Very high | 93.3 | Very high | 116 Ų | 116 | 55.4 Ų | 55.4 | 44% | 0.438 | 27% | 0.269 | S | S | . | . | trans | -116.3 | -173.2 | 172.8 | -73.1 | 175.7 | 175.7 | -171.2 | -0 | 109.8 | E362 W367 N379 I382 | E362-R365 IonicContact OE1-CZ 3.54Å; E362-R365 IonicContact OE1-NE 3.51Å; E362-R365 PolarHBondContact OE1-NE 3.13Å; E362-R365 IonicContact OE1-NH2 2.82Å; E362-R365 PolarHBondContact OE1-NH2 3.36Å; E362-R365 IonicContact OE2-NH2 2.72Å; R365-W367 PolarHBondContact O-N 3.34Å; R365-N379 HydrophobicContact CB-CB 3.87Å; R365-N379 WeakPolarHBondContact CB-OD1 3.39Å; R365-N379 WeakPolarHBondContact CD-OD1 3.28Å; R365-N379 PolarHBondContact N-O 3.45Å; R365-I382 HydrophobicContact CG-CD1 3.98Å; R365-I382 HydrophobicContact CG-CG1 4.29Å | ||
| 366 | D | 92.6 | Very high | 93.1 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 34% | 0.342 | 25% | 0.248 | S | C | . | . | trans | -71.3 | 54.6 | -179.3 | 57.5 | -35.3 | 0 | 0 | 0 | 113.3 | W368 N369 Y375 | D366-W368 HydrophobicContact CB-CH2 4.37Å; D366-W368 HydrophobicContact CB-CZ2 3.83Å; D366-W368 PolarHBondContact O-N 3.08Å; D366-W368 VanDerWaalsContact O-N 3.12Å; D366-N369 PolarHBondContact O-N 2.74Å; D366-Y375 PolarHBondContact OD1-OH 3.43Å | ||
| 367 | W | 94.1 | Very high | 93 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -62.1 | -20.2 | -179.7 | 64 | -97.8 | 0 | 0 | 0 | 113.2 | L338 F341 R365 N369 S370 F376 N379 W380 W461 L464 | L338-W367 HydrophobicContact CD2-CH2 3.64Å; L338-W367 HydrophobicContact CD2-CZ2 4.48Å; F341-W367 AromaticContact CD1-CZ2 3.71Å; F341-W367 HydrophobicContact CD1-CZ2 3.71Å; F341-W367 HydrophobicContact CD2-CZ2 4.3Å; F341-W367 AromaticContact CE1-CE2 3.87Å; F341-W367 AromaticContact CE1-CZ2 3.83Å; F341-W367 HydrophobicContact CE1-CZ2 3.83Å; F341-W367 AromaticContact CE1-NE1 3.28Å; F341-W367 VanDerWaalsContact CE1-NE1 3.28Å; F341-W367 HydrophobicContact CE2-CZ2 4.4Å; F341-W367 AromaticContact CE2-NE1 3.43Å; F341-W367 AromaticContact CG-CZ2 3.99Å; F341-W367 HydrophobicContact CG-CZ2 3.99Å; F341-W367 AromaticContact CZ-CD1 3.81Å; F341-W367 AromaticContact CZ-CE2 3.83Å; F341-W367 HydrophobicContact CZ-CZ2 4.2Å; F341-W367 AromaticContact CZ-NE1 2.94Å; R365-W367 PolarHBondContact O-N 3.34Å; W367-N369 PolarHBondContact O-N 3.23Å; W367-S370 WeakPolarHBondContact O-CB 3.23Å; W367-S370 PolarHBondContact O-N 3.38Å; W367-S370 PolarHBondContact O-OG 3.07Å; W367-F376 HydrophobicContact CB-CD2 4.06Å; W367-F376 HydrophobicContact CB-CE2 4.47Å; W367-F376 HydrophobicContact CD2-CD2 4.35Å; W367-F376 HydrophobicContact CD2-CE2 4.08Å; W367-F376 AromaticContact CE3-CD2 3.8Å; W367-F376 HydrophobicContact CE3-CD2 3.8Å; W367-F376 AromaticContact CE3-CE2 3.57Å; W367-F376 HydrophobicContact CE3-CE2 3.57Å; W367-F376 HydrophobicContact CG-CE2 4.48Å; W367-F376 HydrophobicContact CZ3-CE2 4.16Å; W367-N379 HydrophobicContact CB-CB 4.07Å; W367-W380 HydrophobicContact CB-CB 4.28Å; W367-W380 HydrophobicContact CG-CB 4.13Å; W367-W461 HydrophobicContact CH2-CH2 4.14Å; W367-W461 AromaticContact CZ3-CH2 3.83Å; W367-W461 HydrophobicContact CZ3-CH2 3.83Å; W367-W461 HydrophobicContact CZ3-CZ2 4.48Å; W367-W461 HydrophobicContact CZ3-CZ3 4.16Å; W367-L464 HydrophobicContact CE3-CD1 4.29Å; W367-L464 HydrophobicContact CZ3-CD1 3.89Å |
| 368 | W | 92.2 | Very high | 92.9 | Very high | 107 Ų | 107 | 51.9 Ų | 51.9 | 41% | 0.405 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -68.7 | -22.9 | 174.6 | 54.1 | 83.3 | 0 | 0 | 0 | 113 | Y364 D366 S370 N457 W461 | Y364-W368 HydrophobicContact CD2-CZ3 4.22Å; Y364-W368 HydrophobicContact CE2-CH2 4.32Å; Y364-W368 HydrophobicContact CE2-CZ3 4.05Å; D366-W368 HydrophobicContact CB-CH2 4.37Å; D366-W368 HydrophobicContact CB-CZ2 3.83Å; D366-W368 PolarHBondContact O-N 3.08Å; D366-W368 VanDerWaalsContact O-N 3.12Å; W368-S370 VanDerWaalsContact C-N 3.32Å; W368-N457 PolarHBondContact O-ND2 2.88Å; W368-W461 HydrophobicContact CB-CH2 4.3Å; W368-W461 HydrophobicContact CB-CZ2 3.73Å; W368-W461 PolarHBondContact O-NE1 2.93Å |
| 369 | N | 91.4 | Very high | 92.8 | Very high | 80 Ų | 80 | 51.9 Ų | 51.9 | 43% | 0.428 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -92.9 | 13.3 | 174.9 | -68.2 | -25.5 | 0 | 0 | 0 | 112.3 | D366 W367 E371 N457 | D366-N369 PolarHBondContact O-N 2.74Å; W367-N369 PolarHBondContact O-N 3.23Å; N369-E371 PolarHBondContact O-N 2.95Å; N369-N457 WeakPolarHBondContact CA-ND2 3.15Å |
| 370 | S | 90.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | trans | -66.7 | 119.1 | -176.4 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | W367 W368 S372 N457 V460 | W367-S370 WeakPolarHBondContact O-CB 3.23Å; W367-S370 PolarHBondContact O-N 3.38Å; W367-S370 PolarHBondContact O-OG 3.07Å; W368-S370 VanDerWaalsContact C-N 3.32Å; S370-S372 VanDerWaalsContact C-N 3.31Å; S370-N457 PolarHBondContact N-ND2 3.21Å; S370-N457 WeakPolarHBondContact O-CA 3.12Å; S370-N457 PolarHBondContact O-ND2 3.27Å; S370-N457 VanDerWaalsContact O-ND2 3.17Å; S370-V460 VanDerWaalsContact OG-CG1 3.24Å; S370-V460 WeakPolarHBondContact OG-CG1 3.49Å | ||
| 371 | E | 91.1 | Very high | 93.1 | Very high | 110 Ų | 110 | 51.3 Ų | 51.3 | 51% | 0.514 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -81.7 | -11.5 | 173.6 | -60.2 | -176.9 | -174.5 | 0 | 0 | 113.2 | N369 G453 G456 | N369-E371 PolarHBondContact O-N 2.95Å; E371-G453 PolarHBondContact OE2-N 3.06Å; E371-G456 CarbonylContact O-C 3.54Å; E371-G456 WeakPolarHBondContact O-CA 3.48Å |
| 372 | S | 92.3 | Very high | 93.2 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -139 | 148.5 | 177.3 | 71.1 | 0 | 0 | 0 | 0 | 111.9 | S370 T374 Y375 F376 V460 | S370-S372 VanDerWaalsContact C-N 3.31Å; S372-T374 PolarHBondContact O-N 3.13Å; S372-Y375 WeakPolarHBondContact O-CB 3.48Å; S372-Y375 PolarHBondContact O-N 3.31Å; S372-Y375 VanDerWaalsContact O-N 3.07Å; S372-Y375 WeakPolarHBondContact OG-CB 3.3Å; S372-Y375 PolarHBondContact OG-N 3.02Å; S372-F376 PolarHBondContact O-N 3.44Å; S372-F376 VanDerWaalsContact O-N 3.08Å; S372-V460 VanDerWaalsContact C-CG2 3.43Å |
| 373 | V | 89.1 | Confident | 93.3 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -33.6 | 176.5 | 178.9 | 0 | 0 | 0 | 0 | 111 | F376 W377 A444 V447 V460 T463 | V373-F376 WeakPolarHBondContact O-CB 3.49Å; V373-F376 PolarHBondContact O-N 3.12Å; V373-W377 PolarHBondContact O-N 3.31Å; V373-W377 VanDerWaalsContact O-N 3.13Å; V373-A444 HydrophobicContact CB-CB 3.86Å; V373-A444 HydrophobicContact CG1-CB 3.92Å; V373-V447 HydrophobicContact CG2-CB 4.13Å; V373-V447 HydrophobicContact CG2-CG1 4.23Å; V373-V447 HydrophobicContact CG2-CG2 4.17Å; V373-V460 HydrophobicContact CG2-CG2 4.03Å; V373-T463 HydrophobicContact CG2-CG2 4.37Å |
| 374 | T | 90.1 | Very high | 93.4 | Very high | 72 Ų | 72 | 48.7 Ų | 48.7 | 44% | 0.442 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.1 | -44 | 176.3 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | S372 W377 Q378 | S372-T374 PolarHBondContact O-N 3.13Å; T374-W377 PolarHBondContact O-N 2.72Å; T374-Q378 VanDerWaalsContact O-CG 3.28Å; T374-Q378 WeakPolarHBondContact O-CG 3.41Å; T374-Q378 PolarHBondContact O-N 2.79Å |
| 375 | Y | 92.8 | Very high | 93.4 | Very high | 83 Ų | 83 | 48.4 Ų | 48.4 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.4 | -177.2 | -84.4 | 0 | 0 | 0 | 110.8 | D366 S372 W377 Q378 N379 | D366-Y375 PolarHBondContact OD1-OH 3.43Å; S372-Y375 WeakPolarHBondContact O-CB 3.48Å; S372-Y375 PolarHBondContact O-N 3.31Å; S372-Y375 VanDerWaalsContact O-N 3.07Å; S372-Y375 WeakPolarHBondContact OG-CB 3.3Å; S372-Y375 PolarHBondContact OG-N 3.02Å; Y375-W377 PolarHBondContact O-N 2.79Å; Y375-Q378 PolarHBondContact O-N 3.12Å; Y375-Q378 VanDerWaalsContact O-N 3.17Å; Y375-N379 HydrophobicContact CD1-CB 4.46Å; Y375-N379 WeakPolarHBondContact CD1-ND2 3.46Å; Y375-N379 WeakPolarHBondContact CD2-ND2 3.36Å; Y375-N379 HydrophobicContact CE1-CB 4.18Å; Y375-N379 WeakPolarHBondContact CE1-ND2 3.47Å; Y375-N379 VanDerWaalsContact CE2-ND2 3.32Å; Y375-N379 WeakPolarHBondContact CE2-ND2 3.49Å; Y375-N379 VanDerWaalsContact CG-ND2 3.35Å; Y375-N379 WeakPolarHBondContact O-CB 3.39Å; Y375-N379 PolarHBondContact O-N 3.42Å; Y375-N379 PolarHBondContact O-ND2 3.33Å |
| 376 | F | 93.8 | Very high | 93.4 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.6 | -52.3 | 175.6 | 166.9 | -96.8 | 0 | 0 | 0 | 112.4 | W367 S372 V373 Q378 N379 W380 V460 L464 | W367-F376 HydrophobicContact CB-CD2 4.06Å; W367-F376 HydrophobicContact CB-CE2 4.47Å; W367-F376 HydrophobicContact CD2-CD2 4.35Å; W367-F376 HydrophobicContact CD2-CE2 4.08Å; W367-F376 AromaticContact CE3-CD2 3.8Å; W367-F376 HydrophobicContact CE3-CD2 3.8Å; W367-F376 AromaticContact CE3-CE2 3.57Å; W367-F376 HydrophobicContact CE3-CE2 3.57Å; W367-F376 HydrophobicContact CG-CE2 4.48Å; W367-F376 HydrophobicContact CZ3-CE2 4.16Å; S372-F376 PolarHBondContact O-N 3.44Å; S372-F376 VanDerWaalsContact O-N 3.08Å; V373-F376 WeakPolarHBondContact O-CB 3.49Å; V373-F376 PolarHBondContact O-N 3.12Å; F376-Q378 PolarHBondContact O-N 2.89Å; F376-Q378 VanDerWaalsContact O-N 3.09Å; F376-N379 PolarHBondContact O-N 2.98Å; F376-W380 HydrophobicContact CD2-CB 4.41Å; F376-W380 HydrophobicContact CE1-CG 4.44Å; F376-W380 HydrophobicContact CE2-CB 3.84Å; F376-W380 HydrophobicContact CE2-CG 4.45Å; F376-W380 HydrophobicContact CZ-CB 3.94Å; F376-W380 HydrophobicContact CZ-CG 4.06Å; F376-W380 PolarHBondContact O-N 3.44Å; F376-W380 VanDerWaalsContact O-N 3.08Å; F376-V460 HydrophobicContact CB-CG1 4.08Å; F376-V460 HydrophobicContact CG-CG1 4.36Å; F376-L464 HydrophobicContact CD1-CD2 4.07Å; F376-L464 HydrophobicContact CD2-CD1 3.98Å; F376-L464 HydrophobicContact CD2-CD2 4.2Å; F376-L464 HydrophobicContact CE1-CD2 3.54Å; F376-L464 HydrophobicContact CE2-CD1 3.69Å; F376-L464 HydrophobicContact CE2-CD2 3.68Å; F376-L464 HydrophobicContact CE2-CG 4.33Å; F376-L464 HydrophobicContact CG-CD2 4.39Å; F376-L464 HydrophobicContact CZ-CD1 4.24Å; F376-L464 HydrophobicContact CZ-CD2 3.33Å; F376-L464 HydrophobicContact CZ-CG 4.42Å |
| 377 | W | 91.4 | Very high | 93.7 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 16% | 0.159 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.7 | -21 | -177.2 | -77.4 | 117.6 | 0 | 0 | 0 | 114.3 | V373 T374 Y375 W380 M437 Q440 | V373-W377 PolarHBondContact O-N 3.31Å; V373-W377 VanDerWaalsContact O-N 3.13Å; T374-W377 PolarHBondContact O-N 2.72Å; Y375-W377 PolarHBondContact O-N 2.79Å; W377-W380 AromaticContact CE3-CD1 3.98Å; W377-W380 AromaticContact CE3-NE1 3.52Å; W377-W380 HydrophobicContact CZ3-CZ2 4.33Å; W377-W380 AromaticContact CZ3-NE1 3.79Å; W377-M437 HydrophobicContact CH2-CE 3.89Å; W377-M437 HydrophobicContact CH2-SD 3.92Å; W377-M437 HydrophobicContact CZ2-CE 4.16Å; W377-M437 HydrophobicContact CZ2-SD 4.25Å; W377-M437 HydrophobicContact CZ3-CE 4.3Å; W377-Q440 HydrophobicContact CZ2-CG 4.13Å |
| 378 | Q | 93.2 | Very high | 93.8 | Very high | 82 Ų | 82 | 44.3 Ų | 44.3 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -87.4 | -20.8 | 177.6 | -62.6 | 175.9 | -4.5 | 0 | 0 | 112.8 | T374 Y375 F376 I382 H385 | T374-Q378 VanDerWaalsContact O-CG 3.28Å; T374-Q378 WeakPolarHBondContact O-CG 3.41Å; T374-Q378 PolarHBondContact O-N 2.79Å; Y375-Q378 PolarHBondContact O-N 3.12Å; Y375-Q378 VanDerWaalsContact O-N 3.17Å; F376-Q378 PolarHBondContact O-N 2.89Å; F376-Q378 VanDerWaalsContact O-N 3.09Å; Q378-I382 VanDerWaalsContact O-CD1 3.29Å; Q378-I382 WeakPolarHBondContact O-CD1 3.48Å; Q378-H385 VanDerWaalsContact CG-CE1 3.47Å; Q378-H385 WeakPolarHBondContact CG-CE1 3.19Å; Q378-H385 PolarHBondContact O-CD2 2.82Å; Q378-H385 VanDerWaalsContact O-CD2 3.23Å |
| 379 | N | 94.9 | Very high | 94 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -114.9 | -18.8 | -165.4 | -71.7 | -61.7 | 0 | 0 | 0 | 114.2 | Y364 R365 W367 Y375 F376 | Y364-N379 WeakPolarHBondContact CA-O 3.43Å; R365-N379 HydrophobicContact CB-CB 3.87Å; R365-N379 WeakPolarHBondContact CB-OD1 3.39Å; R365-N379 WeakPolarHBondContact CD-OD1 3.28Å; R365-N379 PolarHBondContact N-O 3.45Å; W367-N379 HydrophobicContact CB-CB 4.07Å; Y375-N379 HydrophobicContact CD1-CB 4.46Å; Y375-N379 WeakPolarHBondContact CD1-ND2 3.46Å; Y375-N379 WeakPolarHBondContact CD2-ND2 3.36Å; Y375-N379 HydrophobicContact CE1-CB 4.18Å; Y375-N379 WeakPolarHBondContact CE1-ND2 3.47Å; Y375-N379 VanDerWaalsContact CE2-ND2 3.32Å; Y375-N379 WeakPolarHBondContact CE2-ND2 3.49Å; Y375-N379 VanDerWaalsContact CG-ND2 3.35Å; Y375-N379 WeakPolarHBondContact O-CB 3.39Å; Y375-N379 PolarHBondContact O-N 3.42Å; Y375-N379 PolarHBondContact O-ND2 3.33Å; F376-N379 PolarHBondContact O-N 2.98Å |
| 380 | W | 93.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 41.1 Ų | 41.1 | 21% | 0.208 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -72.3 | -43.5 | -178.2 | 84.6 | -74.7 | 0 | 0 | 0 | 113.5 | F341 F345 Y364 W367 F376 W377 | F341-W380 WeakPolarHBondContact CE2-O 3.35Å; F345-W380 HydrophobicContact CE2-CE3 4.15Å; F345-W380 AromaticContact CE2-CZ3 3.63Å; F345-W380 HydrophobicContact CE2-CZ3 3.63Å; F345-W380 HydrophobicContact CZ-CE3 4.31Å; F345-W380 HydrophobicContact CZ-CH2 4.21Å; F345-W380 AromaticContact CZ-CZ3 3.71Å; F345-W380 HydrophobicContact CZ-CZ3 3.71Å; Y364-W380 WeakPolarHBondContact CB-O 3.46Å; W367-W380 HydrophobicContact CB-CB 4.28Å; W367-W380 HydrophobicContact CG-CB 4.13Å; F376-W380 HydrophobicContact CD2-CB 4.41Å; F376-W380 HydrophobicContact CE1-CG 4.44Å; F376-W380 HydrophobicContact CE2-CB 3.84Å; F376-W380 HydrophobicContact CE2-CG 4.45Å; F376-W380 HydrophobicContact CZ-CB 3.94Å; F376-W380 HydrophobicContact CZ-CG 4.06Å; F376-W380 PolarHBondContact O-N 3.44Å; F376-W380 VanDerWaalsContact O-N 3.08Å; W377-W380 AromaticContact CE3-CD1 3.98Å; W377-W380 AromaticContact CE3-NE1 3.52Å; W377-W380 HydrophobicContact CZ3-CZ2 4.33Å; W377-W380 AromaticContact CZ3-NE1 3.79Å |
| 381 | N | 96.2 | Very high | 94.5 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 10% | 0.096 | 20% | 0.2 | C | C | . | . | trans | -132.2 | 84.9 | -177.8 | -178.5 | -13.1 | 0 | 0 | 0 | 109.6 | F345 P383 V384 H385 | F345-N381 HydrophobicContact CE1-CB 3.9Å; F345-N381 WeakPolarHBondContact CE1-ND2 3.3Å; F345-N381 HydrophobicContact CZ-CB 4.09Å; F345-N381 WeakPolarHBondContact CZ-ND2 3.28Å; N381-P383 WeakPolarHBondContact OD1-CD 3.28Å; N381-V384 VanDerWaalsContact ND2-CG2 3.35Å; N381-V384 WeakPolarHBondContact ND2-CG2 3.42Å; N381-V384 PolarHBondContact O-N 3.26Å; N381-V384 PolarHBondContact OD1-N 3.14Å; N381-H385 WeakPolarHBondContact O-CB 3.23Å; N381-H385 PolarHBondContact O-N 3.25Å | ||
| 382 | I | 96.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | -174.6 | -65.4 | -74.6 | 0 | 0 | 0 | 112.5 | E362 F363 R365 Q378 V384 H385 K386 | E362-I382 WeakPolarHBondContact O-CB 3.34Å; E362-I382 VanDerWaalsContact O-CG2 3.26Å; E362-I382 WeakPolarHBondContact O-CG2 3.25Å; F363-I382 WeakPolarHBondContact O-CB 3.14Å; F363-I382 PolarHBondContact O-N 3.38Å; R365-I382 HydrophobicContact CG-CD1 3.98Å; R365-I382 HydrophobicContact CG-CG1 4.29Å; Q378-I382 VanDerWaalsContact O-CD1 3.29Å; Q378-I382 WeakPolarHBondContact O-CD1 3.48Å; I382-V384 PolarHBondContact O-N 2.78Å; I382-H385 PolarHBondContact O-N 2.56Å; I382-K386 HydrophobicContact CG2-CD 3.55Å; I382-K386 HydrophobicContact CG2-CG 3.87Å; I382-K386 WeakPolarHBondContact O-CB 3.47Å; I382-K386 WeakPolarHBondContact O-CG 3.37Å; I382-K386 PolarHBondContact O-N 3.26Å |
| 383 | P | 97.2 | Very high | 94.9 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.2 | -47.2 | 176.3 | -29.6 | 36.1 | 0 | 0 | 0 | 113.3 | L264 F363 N381 W387 | L264-P383 HydrophobicContact CD1-CB 4.42Å; L264-P383 HydrophobicContact CG-CB 4.27Å; F363-P383 HydrophobicContact CD1-CG 4.14Å; F363-P383 WeakPolarHBondContact O-CD 3.48Å; N381-P383 WeakPolarHBondContact OD1-CD 3.28Å; P383-W387 WeakPolarHBondContact O-CB 3.49Å; P383-W387 PolarHBondContact O-N 3.15Å; P383-W387 VanDerWaalsContact O-N 3.14Å |
| 384 | V | 97.1 | Very high | 95.2 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 30% | 0.297 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -69.2 | -42.8 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | L264 N381 I382 W387 C388 | L264-V384 HydrophobicContact CD1-CB 4.33Å; L264-V384 HydrophobicContact CD1-CG2 3.56Å; N381-V384 VanDerWaalsContact ND2-CG2 3.35Å; N381-V384 WeakPolarHBondContact ND2-CG2 3.42Å; N381-V384 PolarHBondContact O-N 3.26Å; N381-V384 PolarHBondContact OD1-N 3.14Å; I382-V384 PolarHBondContact O-N 2.78Å; V384-W387 WeakPolarHBondContact O-CB 3.24Å; V384-W387 PolarHBondContact O-N 2.92Å; V384-C388 WeakPolarHBondContact O-CB 3.21Å; V384-C388 PolarHBondContact O-N 3.29Å; V384-C388 PolarHBondContact O-SG 3.46Å; V384-C388 VanDerWaalsContact O-SG 3.36Å |
| 385 | H | 95.9 | Very high | 95.4 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 21% | 0.208 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.1 | -49.4 | 178.8 | 178.6 | 62.9 | 0 | 0 | 0 | 112.7 | Q378 N381 I382 W387 C388 I389 | Q378-H385 VanDerWaalsContact CG-CE1 3.47Å; Q378-H385 WeakPolarHBondContact CG-CE1 3.19Å; Q378-H385 PolarHBondContact O-CD2 2.82Å; Q378-H385 VanDerWaalsContact O-CD2 3.23Å; N381-H385 WeakPolarHBondContact O-CB 3.23Å; N381-H385 PolarHBondContact O-N 3.25Å; I382-H385 PolarHBondContact O-N 2.56Å; H385-W387 VanDerWaalsContact C-N 3.28Å; H385-W387 PolarHBondContact O-N 3.11Å; H385-C388 PolarHBondContact O-N 3.45Å; H385-I389 WeakPolarHBondContact CE1-CD1 3.44Å; H385-I389 WeakPolarHBondContact NE2-CD1 3.5Å; H385-I389 PolarHBondContact O-N 3.27Å |
| 386 | K | 96.2 | Very high | 95.4 | Very high | 72 Ų | 72 | 40.1 Ų | 40.1 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.7 | -41 | 175.9 | -76.1 | 177.2 | 177.5 | 166.2 | 0 | 110.7 | D360 E362 I382 I389 R390 | D360-K386 IonicContact OD2-NZ 2.76Å; E362-K386 IonicContact OE2-NZ 3.85Å; E362-K386 PolarHBondContact OE2-NZ 3.24Å; I382-K386 HydrophobicContact CG2-CD 3.55Å; I382-K386 HydrophobicContact CG2-CG 3.87Å; I382-K386 WeakPolarHBondContact O-CB 3.47Å; I382-K386 WeakPolarHBondContact O-CG 3.37Å; I382-K386 PolarHBondContact O-N 3.26Å; K386-I389 PolarHBondContact O-N 2.93Å; K386-R390 VanDerWaalsContact O-CB 3.27Å; K386-R390 WeakPolarHBondContact O-CB 3.38Å; K386-R390 PolarHBondContact O-N 2.83Å |
| 387 | W | 98 | Very high | 95.5 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -50.3 | 176.2 | -176.3 | 96 | 0 | 0 | 0 | 111.9 | L209 F212 L264 C265 P383 V384 H385 I389 R390 H391 F392 | L209-W387 HydrophobicContact CB-CZ2 4.47Å; L209-W387 HydrophobicContact CD2-CD2 3.98Å; L209-W387 HydrophobicContact CD2-CE3 3.92Å; L209-W387 HydrophobicContact CD2-CH2 3.45Å; L209-W387 VanDerWaalsContact CD2-CH2 3.45Å; L209-W387 HydrophobicContact CD2-CZ2 3.46Å; L209-W387 VanDerWaalsContact CD2-CZ2 3.46Å; L209-W387 HydrophobicContact CD2-CZ3 3.68Å; L209-W387 PolarHBondContact O-NE1 3.38Å; F212-W387 HydrophobicContact CB-CZ2 3.98Å; F212-W387 AromaticContact CD1-CZ2 3.94Å; F212-W387 HydrophobicContact CD1-CZ2 3.94Å; F212-W387 HydrophobicContact CD2-CZ2 4.38Å; F212-W387 AromaticContact CG-CZ2 3.85Å; F212-W387 HydrophobicContact CG-CZ2 3.85Å; L264-W387 HydrophobicContact CB-CB 4.05Å; L264-W387 HydrophobicContact CB-CG 4.21Å; C265-W387 VanDerWaalsContact SG-CA 3.59Å; P383-W387 WeakPolarHBondContact O-CB 3.49Å; P383-W387 PolarHBondContact O-N 3.15Å; P383-W387 VanDerWaalsContact O-N 3.14Å; V384-W387 WeakPolarHBondContact O-CB 3.24Å; V384-W387 PolarHBondContact O-N 2.92Å; H385-W387 VanDerWaalsContact C-N 3.28Å; H385-W387 PolarHBondContact O-N 3.11Å; W387-I389 VanDerWaalsContact C-N 3.29Å; W387-I389 PolarHBondContact O-N 3.06Å; W387-R390 PolarHBondContact O-N 3.32Å; W387-H391 AromaticContact CD1-CD2 3.71Å; W387-H391 HydrophobicContact CD2-CB 4.41Å; W387-H391 HydrophobicContact CZ2-CB 4.38Å; W387-H391 AromaticContact NE1-CD2 3.99Å; W387-H391 WeakPolarHBondContact O-CB 3.38Å; W387-H391 PolarHBondContact O-N 3.03Å; W387-F392 HydrophobicContact CZ3-CB 4.4Å; W387-F392 HydrophobicContact CZ3-CD2 4.46Å |
| 388 | C | 96.9 | Very high | 95.6 | Very high | 25 Ų | 25 | 48.3 Ų | 48.3 | 17% | 0.169 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -57.2 | -43.2 | 177.6 | -73.6 | 0 | 0 | 0 | 0 | 111.1 | V384 H385 F392 Y393 V410 | V384-C388 WeakPolarHBondContact O-CB 3.21Å; V384-C388 PolarHBondContact O-N 3.29Å; V384-C388 PolarHBondContact O-SG 3.46Å; V384-C388 VanDerWaalsContact O-SG 3.36Å; H385-C388 PolarHBondContact O-N 3.45Å; C388-F392 CarbonylContact O-C 3.38Å; C388-F392 WeakPolarHBondContact O-CA 3.35Å; C388-F392 VanDerWaalsContact O-CB 3.29Å; C388-F392 WeakPolarHBondContact O-CB 3.38Å; C388-F392 PolarHBondContact O-N 3.31Å; C388-Y393 WeakPolarHBondContact O-CB 3.35Å; C388-Y393 PolarHBondContact O-N 2.79Å; C388-V410 HydrophobicContact CB-CG1 4.1Å |
| 389 | I | 95.7 | Very high | 95.6 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -63.7 | -49.1 | 176.8 | -72.1 | -175.7 | 0 | 0 | 0 | 111.7 | H385 K386 W387 K394 | H385-I389 WeakPolarHBondContact CE1-CD1 3.44Å; H385-I389 WeakPolarHBondContact NE2-CD1 3.5Å; H385-I389 PolarHBondContact O-N 3.27Å; K386-I389 PolarHBondContact O-N 2.93Å; W387-I389 VanDerWaalsContact C-N 3.29Å; W387-I389 PolarHBondContact O-N 3.06Å; I389-K394 HydrophobicContact CG2-CD 3.96Å; I389-K394 HydrophobicContact CG2-CG 4.17Å; I389-K394 VanDerWaalsContact O-CB 3.27Å; I389-K394 WeakPolarHBondContact O-CB 3.4Å; I389-K394 VanDerWaalsContact O-CG 3.3Å; I389-K394 WeakPolarHBondContact O-CG 3.2Å; I389-K394 PolarHBondContact O-N 3.06Å |
| 390 | R | 96.7 | Very high | 95.5 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 24% | 0.242 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -76.7 | -41 | -169 | -178.9 | 175.2 | 175.1 | 162.8 | -4.1 | 113.3 | W220 E267 K386 W387 P395 | W220-R390 HydrophobicContact CH2-CG 3.99Å; W220-R390 HydrophobicContact CZ3-CG 4.37Å; E267-R390 IonicContact OE1-CZ 3.5Å; E267-R390 IonicContact OE1-NH1 2.82Å; E267-R390 PolarHBondContact OE1-NH1 3.47Å; K386-R390 VanDerWaalsContact O-CB 3.27Å; K386-R390 WeakPolarHBondContact O-CB 3.38Å; K386-R390 PolarHBondContact O-N 2.83Å; W387-R390 PolarHBondContact O-N 3.32Å; R390-P395 VanDerWaalsContact O-CD 3.27Å; R390-P395 WeakPolarHBondContact O-CD 3.33Å; R390-P395 WeakPolarHBondContact O-CG 3.03Å |
| 391 | H | 96.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -107.6 | -18.9 | -169.2 | -66.3 | -69 | 0 | 0 | 0 | 113.8 | F212 S213 D216 W220 W387 P395 | F212-H391 HydrophobicContact CD1-CB 4.11Å; F212-H391 HydrophobicContact CE1-CB 4.06Å; S213-H391 VanDerWaalsContact CB-NE2 3.31Å; S213-H391 WeakPolarHBondContact CB-NE2 3.07Å; D216-H391 WeakPolarHBondContact CB-ND1 3.38Å; D216-H391 IonicContact OD2-CE1 3.21Å; D216-H391 IonicContact OD2-CG 3.62Å; D216-H391 IonicContact OD2-ND1 3.67Å; D216-H391 PolarHBondContact OD2-ND1 2.89Å; W220-H391 AromaticContact CH2-CE1 3.74Å; W220-H391 AromaticContact CH2-ND1 3.92Å; W387-H391 AromaticContact CD1-CD2 3.71Å; W387-H391 HydrophobicContact CD2-CB 4.41Å; W387-H391 HydrophobicContact CZ2-CB 4.38Å; W387-H391 AromaticContact NE1-CD2 3.99Å; W387-H391 WeakPolarHBondContact O-CB 3.38Å; W387-H391 PolarHBondContact O-N 3.03Å; H391-P395 WeakPolarHBondContact O-CG 3.15Å |
| 392 | F | 95.3 | Very high | 95.4 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -112.8 | -67.3 | -179.3 | -157.6 | -76.3 | 0 | 0 | 0 | 111.2 | W387 C388 P395 M396 V410 A413 | W387-F392 HydrophobicContact CZ3-CB 4.4Å; W387-F392 HydrophobicContact CZ3-CD2 4.46Å; C388-F392 CarbonylContact O-C 3.38Å; C388-F392 WeakPolarHBondContact O-CA 3.35Å; C388-F392 VanDerWaalsContact O-CB 3.29Å; C388-F392 WeakPolarHBondContact O-CB 3.38Å; C388-F392 PolarHBondContact O-N 3.31Å; F392-P395 WeakPolarHBondContact O-CD 3.5Å; F392-M396 HydrophobicContact CE1-SD 4.12Å; F392-M396 VanDerWaalsContact O-CB 3.29Å; F392-M396 WeakPolarHBondContact O-CB 3.45Å; F392-M396 PolarHBondContact O-N 3.37Å; F392-M396 VanDerWaalsContact O-N 3.07Å; F392-V410 HydrophobicContact CD1-CG2 3.64Å; F392-V410 HydrophobicContact CE1-CG2 4.2Å; F392-V410 HydrophobicContact CG-CG2 4.39Å; F392-A413 HydrophobicContact CE2-CB 4.1Å; F392-A413 HydrophobicContact CZ-CB 4.16Å |
| 393 | Y | 94.9 | Very high | 95.1 | Very high | 47 Ų | 47 | 67.2 Ų | 67.2 | 18% | 0.184 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -62.7 | -57.7 | -172.4 | -173.2 | -101.8 | 0 | 0 | 0 | 113.4 | C388 M396 L397 A406 R407 V410 | C388-Y393 WeakPolarHBondContact O-CB 3.35Å; C388-Y393 PolarHBondContact O-N 2.79Å; Y393-M396 WeakPolarHBondContact O-CB 3.41Å; Y393-M396 PolarHBondContact O-N 3.41Å; Y393-L397 HydrophobicContact CD1-CD1 3.88Å; Y393-L397 HydrophobicContact CD1-CG 4.44Å; Y393-L397 HydrophobicContact CE1-CD1 3.34Å; Y393-L397 HydrophobicContact CE1-CG 4.18Å; Y393-L397 WeakPolarHBondContact O-CG 3.33Å; Y393-L397 PolarHBondContact O-N 3.03Å; Y393-A406 HydrophobicContact CD2-CB 3.56Å; Y393-A406 HydrophobicContact CE2-CB 3.42Å; Y393-A406 VanDerWaalsContact CE2-CB 3.42Å; Y393-R407 HydrophobicContact CE2-CG 4.02Å; Y393-V410 HydrophobicContact CD2-CG2 4.34Å |
| 394 | K | 95 | Very high | 94.6 | Very high | 104 Ų | 104 | 75.1 Ų | 75.1 | 45% | 0.452 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | -178.7 | -75.9 | 177.6 | 177.5 | 178.4 | 0 | 112.3 | I389 M396 L397 R398 | I389-K394 HydrophobicContact CG2-CD 3.96Å; I389-K394 HydrophobicContact CG2-CG 4.17Å; I389-K394 VanDerWaalsContact O-CB 3.27Å; I389-K394 WeakPolarHBondContact O-CB 3.4Å; I389-K394 VanDerWaalsContact O-CG 3.3Å; I389-K394 WeakPolarHBondContact O-CG 3.2Å; I389-K394 PolarHBondContact O-N 3.06Å; K394-M396 VanDerWaalsContact C-N 3.31Å; K394-M396 PolarHBondContact O-N 3.01Å; K394-L397 PolarHBondContact O-N 3.35Å; K394-R398 WeakPolarHBondContact O-CG 3.41Å; K394-R398 PolarHBondContact O-N 3.18Å |
| 395 | P | 94.9 | Very high | 94.4 | Very high | 25 Ų | 25 | 77.2 Ų | 77.2 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 174.6 | -29.5 | 39.5 | 0 | 0 | 0 | 113.5 | R390 H391 F392 R398 R399 | R390-P395 VanDerWaalsContact O-CD 3.27Å; R390-P395 WeakPolarHBondContact O-CD 3.33Å; R390-P395 WeakPolarHBondContact O-CG 3.03Å; H391-P395 WeakPolarHBondContact O-CG 3.15Å; F392-P395 WeakPolarHBondContact O-CD 3.5Å; P395-R398 PolarHBondContact O-N 3Å; P395-R399 WeakPolarHBondContact O-CG 3.44Å; P395-R399 PolarHBondContact O-N 3.08Å; P395-R399 VanDerWaalsContact O-N 3.11Å |
| 396 | M | 93.7 | Very high | 94.2 | Very high | 37 Ų | 37 | 75 Ų | 75 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 177.2 | -153.3 | -179.9 | 127.1 | 0 | 0 | 112 | F392 Y393 K394 R399 S401 M405 A406 | F392-M396 HydrophobicContact CE1-SD 4.12Å; F392-M396 VanDerWaalsContact O-CB 3.29Å; F392-M396 WeakPolarHBondContact O-CB 3.45Å; F392-M396 PolarHBondContact O-N 3.37Å; F392-M396 VanDerWaalsContact O-N 3.07Å; Y393-M396 WeakPolarHBondContact O-CB 3.41Å; Y393-M396 PolarHBondContact O-N 3.41Å; K394-M396 VanDerWaalsContact C-N 3.31Å; K394-M396 PolarHBondContact O-N 3.01Å; M396-R399 PolarHBondContact O-N 3.23Å; M396-S401 WeakPolarHBondContact CG-OG 3.36Å; M396-S401 VanDerWaalsContact O-CB 3.28Å; M396-S401 WeakPolarHBondContact O-CB 3.33Å; M396-S401 PolarHBondContact O-N 3.37Å; M396-S401 PolarHBondContact O-OG 3.02Å; M396-M405 VanDerWaalsContact CE-C 3.45Å; M396-M405 HydrophobicContact CE-CB 4.17Å; M396-M405 HydrophobicContact CE-CE 4.12Å; M396-M405 HydrophobicContact CE-CG 3.8Å; M396-M405 WeakPolarHBondContact CE-O 3.31Å; M396-A406 HydrophobicContact CE-CB 3.78Å; M396-A406 VanDerWaalsContact CE-N 3.31Å; M396-A406 HydrophobicContact SD-CB 4.13Å |
| 397 | L | 95 | Very high | 93.8 | Very high | 52 Ų | 52 | 78.6 Ų | 78.6 | 27% | 0.272 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 173.7 | -67.4 | -175.8 | 0 | 0 | 0 | 112.4 | Y393 K394 R399 G400 S401 R403 A406 | Y393-L397 HydrophobicContact CD1-CD1 3.88Å; Y393-L397 HydrophobicContact CD1-CG 4.44Å; Y393-L397 HydrophobicContact CE1-CD1 3.34Å; Y393-L397 HydrophobicContact CE1-CG 4.18Å; Y393-L397 WeakPolarHBondContact O-CG 3.33Å; Y393-L397 PolarHBondContact O-N 3.03Å; K394-L397 PolarHBondContact O-N 3.35Å; L397-R399 PolarHBondContact O-N 2.8Å; L397-G400 PolarHBondContact O-N 3.36Å; L397-S401 WeakPolarHBondContact CD2-O 3.41Å; L397-R403 HydrophobicContact CD2-CG 4.17Å; L397-A406 HydrophobicContact CD2-CB 3.81Å; L397-A406 HydrophobicContact CG-CB 4.33Å |
| 398 | R | 94.2 | Very high | 93.5 | Very high | 179 Ų | 179 | 79.8 Ų | 79.8 | 68% | 0.675 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.9 | -25.1 | 177.3 | -71.6 | 178.4 | -160.5 | 150.3 | 1 | 112.9 | K394 P395 G400 | K394-R398 WeakPolarHBondContact O-CG 3.41Å; K394-R398 PolarHBondContact O-N 3.18Å; P395-R398 PolarHBondContact O-N 3Å; R398-G400 VanDerWaalsContact C-N 3.26Å |
| 399 | R | 92.2 | Very high | 93.3 | Very high | 215 Ų | 215 | 79.4 Ų | 79.4 | 81% | 0.811 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 3.3 | 174.3 | -70.3 | 176.5 | -180 | -173.1 | 0.7 | 113.5 | P395 M396 L397 | P395-R399 WeakPolarHBondContact O-CG 3.44Å; P395-R399 PolarHBondContact O-N 3.08Å; P395-R399 VanDerWaalsContact O-N 3.11Å; M396-R399 PolarHBondContact O-N 3.23Å; L397-R399 PolarHBondContact O-N 2.8Å |
| 400 | G | 92.7 | Very high | 93.2 | Very high | 69 Ų | 69 | 78.2 Ų | 78.2 | 71% | 0.711 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | 7.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L397 R398 | L397-G400 PolarHBondContact O-N 3.36Å; R398-G400 VanDerWaalsContact C-N 3.26Å |
| 401 | S | 93.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 77.4 Ų | 77.4 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | trans | -70.1 | 145.3 | 175.9 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | M396 L397 M405 | M396-S401 WeakPolarHBondContact CG-OG 3.36Å; M396-S401 VanDerWaalsContact O-CB 3.28Å; M396-S401 WeakPolarHBondContact O-CB 3.33Å; M396-S401 PolarHBondContact O-N 3.37Å; M396-S401 PolarHBondContact O-OG 3.02Å; L397-S401 WeakPolarHBondContact CD2-O 3.41Å; S401-M405 VanDerWaalsContact OG-CE 3.23Å; S401-M405 WeakPolarHBondContact OG-CE 3.44Å | ||
| 402 | S | 95.3 | Very high | 92.8 | Very high | 64 Ų | 64 | 80.5 Ų | 80.5 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | trans | -66.4 | 153.7 | 175 | 77.3 | 0 | 0 | 0 | 0 | 111.8 | W404 M405 A406 | S402-W404 PolarHBondContact O-N 3.13Å; S402-M405 PolarHBondContact O-N 3.4Å; S402-M405 WeakPolarHBondContact OG-CB 3.44Å; S402-M405 PolarHBondContact OG-N 2.85Å; S402-A406 WeakPolarHBondContact O-CB 3.33Å; S402-A406 PolarHBondContact O-N 2.96Å | ||
| 403 | R | 89.9 | Confident | 92.8 | Very high | 182 Ų | 182 | 78.8 Ų | 78.8 | 69% | 0.687 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.5 | -36.1 | 177.9 | -68.3 | -177.6 | -175.5 | 174.2 | 1.5 | 112.5 | L397 R407 | L397-R403 HydrophobicContact CD2-CG 4.17Å; R403-R407 WeakPolarHBondContact O-CG 3.4Å; R403-R407 PolarHBondContact O-N 3.35Å; R403-R407 VanDerWaalsContact O-N 3.11Å |
| 404 | W | 87.6 | Confident | 92.8 | Very high | 180 Ų | 180 | 78.2 Ų | 78.2 | 68% | 0.682 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -70.5 | -47.1 | 179.8 | -170.5 | 79.6 | 0 | 0 | 0 | 111.4 | S402 A406 R407 I408 | S402-W404 PolarHBondContact O-N 3.13Å; W404-A406 VanDerWaalsContact C-N 3.28Å; W404-A406 PolarHBondContact O-N 3.22Å; W404-R407 PolarHBondContact O-N 2.87Å; W404-R407 VanDerWaalsContact O-N 3.14Å; W404-I408 HydrophobicContact CD2-CD1 3.62Å; W404-I408 HydrophobicContact CD2-CG1 4.48Å; W404-I408 HydrophobicContact CE3-CD1 3.53Å; W404-I408 HydrophobicContact CH2-CD1 3.29Å; W404-I408 HydrophobicContact CZ2-CD1 3.39Å; W404-I408 HydrophobicContact CZ3-CD1 3.36Å; W404-I408 PolarHBondContact O-N 2.99Å |
| 405 | M | 91.9 | Very high | 92.8 | Very high | 93 Ų | 93 | 73.3 Ų | 73.3 | 46% | 0.458 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 175 | -170.2 | 168.7 | 70.2 | 0 | 0 | 111.6 | M396 S401 S402 R407 I408 G409 | M396-M405 VanDerWaalsContact CE-C 3.45Å; M396-M405 HydrophobicContact CE-CB 4.17Å; M396-M405 HydrophobicContact CE-CE 4.12Å; M396-M405 HydrophobicContact CE-CG 3.8Å; M396-M405 WeakPolarHBondContact CE-O 3.31Å; S401-M405 VanDerWaalsContact OG-CE 3.23Å; S401-M405 WeakPolarHBondContact OG-CE 3.44Å; S402-M405 PolarHBondContact O-N 3.4Å; S402-M405 WeakPolarHBondContact OG-CB 3.44Å; S402-M405 PolarHBondContact OG-N 2.85Å; M405-R407 PolarHBondContact O-N 3.36Å; M405-I408 PolarHBondContact O-N 3.49Å; M405-G409 PolarHBondContact O-N 3.14Å |
| 406 | A | 91.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y393 M396 L397 S402 W404 V410 | Y393-A406 HydrophobicContact CD2-CB 3.56Å; Y393-A406 HydrophobicContact CE2-CB 3.42Å; Y393-A406 VanDerWaalsContact CE2-CB 3.42Å; M396-A406 HydrophobicContact CE-CB 3.78Å; M396-A406 VanDerWaalsContact CE-N 3.31Å; M396-A406 HydrophobicContact SD-CB 4.13Å; L397-A406 HydrophobicContact CD2-CB 3.81Å; L397-A406 HydrophobicContact CG-CB 4.33Å; S402-A406 WeakPolarHBondContact O-CB 3.33Å; S402-A406 PolarHBondContact O-N 2.96Å; W404-A406 VanDerWaalsContact C-N 3.28Å; W404-A406 PolarHBondContact O-N 3.22Å; A406-V410 WeakPolarHBondContact O-CG2 3.47Å; A406-V410 PolarHBondContact O-N 3.34Å |
| 407 | R | 89.3 | Confident | 93 | Very high | 147 Ų | 147 | 76.7 Ų | 76.7 | 56% | 0.555 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.8 | -48.9 | 172.9 | -72.6 | 172.7 | -175.3 | 176.6 | 0.3 | 110.8 | Y393 R403 W404 M405 G409 V410 F411 | Y393-R407 HydrophobicContact CE2-CG 4.02Å; R403-R407 WeakPolarHBondContact O-CG 3.4Å; R403-R407 PolarHBondContact O-N 3.35Å; R403-R407 VanDerWaalsContact O-N 3.11Å; W404-R407 PolarHBondContact O-N 2.87Å; W404-R407 VanDerWaalsContact O-N 3.14Å; M405-R407 PolarHBondContact O-N 3.36Å; R407-G409 VanDerWaalsContact C-N 3.31Å; R407-G409 PolarHBondContact O-N 3.11Å; R407-V410 PolarHBondContact O-N 2.97Å; R407-F411 WeakPolarHBondContact O-CD2 3.28Å; R407-F411 PolarHBondContact O-N 3.18Å |
| 408 | I | 90.4 | Very high | 92.9 | Very high | 38 Ų | 38 | 76.7 Ų | 76.7 | 20% | 0.195 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 177.8 | -70.4 | 175.1 | 0 | 0 | 0 | 111.1 | W404 M405 V410 F411 L412 | W404-I408 HydrophobicContact CD2-CD1 3.62Å; W404-I408 HydrophobicContact CD2-CG1 4.48Å; W404-I408 HydrophobicContact CE3-CD1 3.53Å; W404-I408 HydrophobicContact CH2-CD1 3.29Å; W404-I408 HydrophobicContact CZ2-CD1 3.39Å; W404-I408 HydrophobicContact CZ3-CD1 3.36Å; W404-I408 PolarHBondContact O-N 2.99Å; M405-I408 PolarHBondContact O-N 3.49Å; I408-V410 VanDerWaalsContact C-N 3.31Å; I408-V410 PolarHBondContact O-N 3.31Å; I408-F411 PolarHBondContact O-N 3.27Å; I408-F411 VanDerWaalsContact O-N 3.13Å; I408-L412 HydrophobicContact CG2-CD1 3.72Å; I408-L412 HydrophobicContact CG2-CG 4.09Å; I408-L412 WeakPolarHBondContact O-CB 3.5Å; I408-L412 WeakPolarHBondContact O-CG 3.36Å; I408-L412 PolarHBondContact O-N 3.14Å |
| 409 | G | 93.1 | Very high | 93 | Very high | 16 Ų | 16 | 68.8 Ų | 68.8 | 17% | 0.165 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | M405 R407 A413 | M405-G409 PolarHBondContact O-N 3.14Å; R407-G409 VanDerWaalsContact C-N 3.31Å; R407-G409 PolarHBondContact O-N 3.11Å; G409-A413 WeakPolarHBondContact O-CB 3.11Å; G409-A413 PolarHBondContact O-N 3.3Å |
| 410 | V | 93.3 | Very high | 93.2 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | 174.8 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | C388 F392 Y393 A406 R407 I408 A413 S414 | C388-V410 HydrophobicContact CB-CG1 4.1Å; F392-V410 HydrophobicContact CD1-CG2 3.64Å; F392-V410 HydrophobicContact CE1-CG2 4.2Å; F392-V410 HydrophobicContact CG-CG2 4.39Å; Y393-V410 HydrophobicContact CD2-CG2 4.34Å; A406-V410 WeakPolarHBondContact O-CG2 3.47Å; A406-V410 PolarHBondContact O-N 3.34Å; R407-V410 PolarHBondContact O-N 2.97Å; I408-V410 VanDerWaalsContact C-N 3.31Å; I408-V410 PolarHBondContact O-N 3.31Å; V410-A413 PolarHBondContact O-N 2.98Å; V410-S414 WeakPolarHBondContact O-CB 3.36Å; V410-S414 PolarHBondContact O-N 2.65Å |
| 411 | F | 91.4 | Very high | 93.4 | Very high | 48 Ų | 48 | 58 Ų | 58 | 21% | 0.211 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.6 | -88.4 | -84.8 | 0 | 0 | 0 | 112.5 | R407 I408 S414 A415 Q440 I441 | R407-F411 WeakPolarHBondContact O-CD2 3.28Å; R407-F411 PolarHBondContact O-N 3.18Å; I408-F411 PolarHBondContact O-N 3.27Å; I408-F411 VanDerWaalsContact O-N 3.13Å; F411-S414 WeakPolarHBondContact O-CB 3.33Å; F411-S414 PolarHBondContact O-N 3.04Å; F411-A415 WeakPolarHBondContact O-CB 3.25Å; F411-A415 PolarHBondContact O-N 3.15Å; F411-Q440 HydrophobicContact CE1-CB 4.46Å; F411-I441 HydrophobicContact CB-CD1 3.84Å; F411-I441 HydrophobicContact CB-CG1 4.32Å; F411-I441 HydrophobicContact CD1-CD1 4.41Å; F411-I441 HydrophobicContact CD1-CG1 3.96Å; F411-I441 HydrophobicContact CD2-CD1 4.37Å; F411-I441 HydrophobicContact CD2-CG1 4.18Å; F411-I441 HydrophobicContact CE1-CG1 4.32Å; F411-I441 HydrophobicContact CG-CD1 3.97Å; F411-I441 HydrophobicContact CG-CG1 3.89Å |
| 412 | L | 94.3 | Very high | 93.4 | Very high | 72 Ų | 72 | 57.4 Ų | 57.4 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 175 | -75.7 | 171.2 | 0 | 0 | 0 | 111.7 | I408 S414 A415 F416 F434 M438 | I408-L412 HydrophobicContact CG2-CD1 3.72Å; I408-L412 HydrophobicContact CG2-CG 4.09Å; I408-L412 WeakPolarHBondContact O-CB 3.5Å; I408-L412 WeakPolarHBondContact O-CG 3.36Å; I408-L412 PolarHBondContact O-N 3.14Å; L412-S414 VanDerWaalsContact C-N 3.3Å; L412-S414 PolarHBondContact O-N 3.3Å; L412-A415 PolarHBondContact O-N 2.95Å; L412-F416 WeakPolarHBondContact O-CB 3.39Å; L412-F416 PolarHBondContact O-N 3.34Å; L412-F434 HydrophobicContact CD2-CZ 3.84Å; L412-M438 HydrophobicContact CD2-CE 4.04Å; L412-M438 HydrophobicContact CD2-SD 3.73Å; L412-M438 HydrophobicContact CG-SD 4.34Å |
| 413 | A | 94.8 | Very high | 93.4 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 22% | 0.223 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F392 G409 V410 F416 F417 | F392-A413 HydrophobicContact CE2-CB 4.1Å; F392-A413 HydrophobicContact CZ-CB 4.16Å; G409-A413 WeakPolarHBondContact O-CB 3.11Å; G409-A413 PolarHBondContact O-N 3.3Å; V410-A413 PolarHBondContact O-N 2.98Å; A413-F416 PolarHBondContact O-N 3.43Å; A413-F417 WeakPolarHBondContact O-CD2 3.33Å; A413-F417 PolarHBondContact O-N 3.38Å; A413-F417 VanDerWaalsContact O-N 3.15Å |
| 414 | S | 94.5 | Very high | 93.6 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 174.7 | -168.5 | 0 | 0 | 0 | 0 | 111.7 | V410 F411 L412 F416 F417 H418 | V410-S414 WeakPolarHBondContact O-CB 3.36Å; V410-S414 PolarHBondContact O-N 2.65Å; F411-S414 WeakPolarHBondContact O-CB 3.33Å; F411-S414 PolarHBondContact O-N 3.04Å; L412-S414 VanDerWaalsContact C-N 3.3Å; L412-S414 PolarHBondContact O-N 3.3Å; S414-F416 VanDerWaalsContact C-N 3.32Å; S414-F416 PolarHBondContact O-N 3.23Å; S414-F417 PolarHBondContact O-N 3.11Å; S414-F417 VanDerWaalsContact O-N 3.16Å; S414-H418 PolarHBondContact O-N 3.22Å; S414-H418 PolarHBondContact O-ND1 3.34Å; S414-H418 PolarHBondContact OG-CE1 3.24Å; S414-H418 VanDerWaalsContact OG-CE1 3.3Å; S414-H418 PolarHBondContact OG-ND1 2.99Å |
| 415 | A | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F411 L412 H418 E419 F434 M437 | F411-A415 WeakPolarHBondContact O-CB 3.25Å; F411-A415 PolarHBondContact O-N 3.15Å; L412-A415 PolarHBondContact O-N 2.95Å; A415-H418 PolarHBondContact O-N 3.01Å; A415-E419 WeakPolarHBondContact O-CB 3.37Å; A415-E419 PolarHBondContact O-N 3.49Å; A415-F434 HydrophobicContact CB-CD2 3.55Å; A415-F434 HydrophobicContact CB-CE2 3.67Å; A415-F434 HydrophobicContact CB-CG 4.16Å; A415-F434 HydrophobicContact CB-CZ 4.37Å; A415-M437 HydrophobicContact CB-CB 3.72Å; A415-M437 HydrophobicContact CB-CG 4.34Å |
| 416 | F | 96.2 | Very high | 94 | Very high | 99 Ų | 99 | 34.9 Ų | 34.9 | 43% | 0.434 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.1 | -50 | 172.2 | 168.9 | -95.5 | 0 | 0 | 0 | 111.7 | L179 L412 A413 S414 E419 Y420 | L179-F416 HydrophobicContact CD1-CE1 4.42Å; L412-F416 WeakPolarHBondContact O-CB 3.39Å; L412-F416 PolarHBondContact O-N 3.34Å; A413-F416 PolarHBondContact O-N 3.43Å; S414-F416 VanDerWaalsContact C-N 3.32Å; S414-F416 PolarHBondContact O-N 3.23Å; F416-E419 PolarHBondContact O-N 3.17Å; F416-Y420 HydrophobicContact CZ-CD2 4.35Å; F416-Y420 WeakPolarHBondContact O-CB 3.42Å; F416-Y420 PolarHBondContact O-N 3.03Å |
| 417 | F | 96.3 | Very high | 94 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.6 | -34.9 | -179.7 | -78 | -65.4 | 0 | 0 | 0 | 113.1 | L179 T205 F208 L209 A413 S414 L421 | L179-F417 HydrophobicContact CD1-CE1 4.2Å; L179-F417 HydrophobicContact CD1-CZ 4.24Å; L179-F417 HydrophobicContact CD2-CE1 3.97Å; T205-F417 HydrophobicContact CG2-CD1 3.44Å; T205-F417 VanDerWaalsContact CG2-CD1 3.44Å; T205-F417 HydrophobicContact CG2-CE1 3.55Å; T205-F417 HydrophobicContact CG2-CG 4.21Å; T205-F417 HydrophobicContact CG2-CZ 4.39Å; F208-F417 HydrophobicContact CD1-CE1 4.49Å; F208-F417 AromaticContact CD1-CZ 3.84Å; F208-F417 HydrophobicContact CD1-CZ 3.84Å; F208-F417 HydrophobicContact CE1-CE2 4.41Å; F208-F417 AromaticContact CE1-CZ 3.73Å; F208-F417 HydrophobicContact CE1-CZ 3.73Å; L209-F417 HydrophobicContact CD2-CE2 4.48Å; A413-F417 WeakPolarHBondContact O-CD2 3.33Å; A413-F417 PolarHBondContact O-N 3.38Å; A413-F417 VanDerWaalsContact O-N 3.15Å; S414-F417 PolarHBondContact O-N 3.11Å; S414-F417 VanDerWaalsContact O-N 3.16Å; F417-L421 WeakPolarHBondContact O-CB 3.33Å; F417-L421 VanDerWaalsContact O-CG 3.27Å; F417-L421 WeakPolarHBondContact O-CG 3.35Å; F417-L421 PolarHBondContact O-N 3.31Å |
| 418 | H | 94.7 | Very high | 94 | Very high | 53 Ų | 53 | 33.8 Ų | 33.8 | 25% | 0.245 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -49.1 | 174.3 | -76 | 77.9 | 0 | 0 | 0 | 110.9 | S414 A415 L421 V422 M437 | S414-H418 PolarHBondContact O-N 3.22Å; S414-H418 PolarHBondContact O-ND1 3.34Å; S414-H418 PolarHBondContact OG-CE1 3.24Å; S414-H418 VanDerWaalsContact OG-CE1 3.3Å; S414-H418 PolarHBondContact OG-ND1 2.99Å; A415-H418 PolarHBondContact O-N 3.01Å; H418-L421 PolarHBondContact O-N 3.38Å; H418-V422 VanDerWaalsContact O-CG1 3.25Å; H418-V422 WeakPolarHBondContact O-CG1 3.44Å; H418-V422 PolarHBondContact O-N 3.49Å; H418-V422 VanDerWaalsContact O-N 3.14Å; H418-M437 HydrophobicContact CB-CG 4.23Å |
| 419 | E | 96.1 | Very high | 94.1 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 176.5 | -167.7 | 68.1 | -156.4 | 0 | 0 | 110.4 | A415 F416 L421 V422 S423 L431 A433 F434 Y475 | A415-E419 WeakPolarHBondContact O-CB 3.37Å; A415-E419 PolarHBondContact O-N 3.49Å; F416-E419 PolarHBondContact O-N 3.17Å; E419-L421 PolarHBondContact O-N 3.18Å; E419-V422 PolarHBondContact O-N 3.48Å; E419-S423 WeakPolarHBondContact O-CA 3.46Å; E419-S423 WeakPolarHBondContact O-CB 3.39Å; E419-S423 PolarHBondContact O-N 2.97Å; E419-S423 PolarHBondContact O-OG 2.87Å; E419-L431 HydrophobicContact CG-CD2 4.33Å; E419-L431 WeakPolarHBondContact OE1-CA 3.24Å; E419-L431 PolarHBondContact OE1-N 3.07Å; E419-L431 VanDerWaalsContact OE1-N 3.15Å; E419-A433 WeakPolarHBondContact OE2-CB 3.43Å; E419-A433 PolarHBondContact OE2-N 2.87Å; E419-F434 HydrophobicContact CB-CB 4.27Å; E419-F434 HydrophobicContact CG-CB 4.42Å; E419-F434 PolarHBondContact OE2-N 3.12Å; E419-Y475 VanDerWaalsContact CD-OH 3.31Å; E419-Y475 PolarHBondContact OE1-OH 2.88Å; E419-Y475 PolarHBondContact OE2-OH 3.17Å |
| 420 | Y | 96.5 | Very high | 93.8 | Very high | 19 Ų | 19 | 40 Ų | 40 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.4 | -47.2 | 178.1 | 175.9 | -96 | 0 | 0 | 0 | 112.7 | L179 A183 L201 F416 V424 | L179-Y420 PolarHBondContact O-OH 2.94Å; A183-Y420 HydrophobicContact CB-CE2 3.71Å; L201-Y420 HydrophobicContact CB-CE1 4Å; L201-Y420 HydrophobicContact CD1-CE1 4.29Å; L201-Y420 HydrophobicContact CD2-CE1 4.07Å; L201-Y420 WeakPolarHBondContact CD2-OH 3.17Å; L201-Y420 HydrophobicContact CG-CE1 4.35Å; F416-Y420 HydrophobicContact CZ-CD2 4.35Å; F416-Y420 WeakPolarHBondContact O-CB 3.42Å; F416-Y420 PolarHBondContact O-N 3.03Å; Y420-V424 HydrophobicContact CD2-CG2 4.1Å; Y420-V424 VanDerWaalsContact O-CB 3.32Å; Y420-V424 WeakPolarHBondContact O-CB 3.3Å; Y420-V424 VanDerWaalsContact O-CG2 3.32Å; Y420-V424 WeakPolarHBondContact O-CG2 3.15Å; Y420-V424 PolarHBondContact O-N 3.4Å |
| 421 | L | 96.2 | Very high | 93.8 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.6 | -24.7 | -177.7 | -70.6 | 174.1 | 0 | 0 | 0 | 113.4 | L198 L201 M202 F417 H418 E419 P425 | L198-L421 HydrophobicContact CD1-CB 4.34Å; L198-L421 WeakPolarHBondContact CD1-O 3.47Å; L201-L421 HydrophobicContact CB-CD2 3.78Å; M202-L421 HydrophobicContact CB-CD2 4.49Å; M202-L421 HydrophobicContact CG-CD1 4.3Å; M202-L421 HydrophobicContact CG-CD2 3.85Å; F417-L421 WeakPolarHBondContact O-CB 3.33Å; F417-L421 VanDerWaalsContact O-CG 3.27Å; F417-L421 WeakPolarHBondContact O-CG 3.35Å; F417-L421 PolarHBondContact O-N 3.31Å; H418-L421 PolarHBondContact O-N 3.38Å; E419-L421 PolarHBondContact O-N 3.18Å; L421-P425 VanDerWaalsContact O-CD 3.29Å; L421-P425 WeakPolarHBondContact O-CD 3.15Å; L421-P425 VanDerWaalsContact O-CG 3.26Å; L421-P425 WeakPolarHBondContact O-CG 3.41Å |
| 422 | V | 94 | Very high | 93.7 | Very high | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -97 | -43.4 | 179.2 | 75 | 0 | 0 | 0 | 0 | 113.1 | H418 E419 L426 A433 V472 Y475 | H418-V422 VanDerWaalsContact O-CG1 3.25Å; H418-V422 WeakPolarHBondContact O-CG1 3.44Å; H418-V422 PolarHBondContact O-N 3.49Å; H418-V422 VanDerWaalsContact O-N 3.14Å; E419-V422 PolarHBondContact O-N 3.48Å; V422-L426 HydrophobicContact CG2-CD1 4.12Å; V422-L426 WeakPolarHBondContact O-CD1 3.49Å; V422-L426 WeakPolarHBondContact O-CG 3.4Å; V422-A433 HydrophobicContact CG1-CB 3.75Å; V422-V472 HydrophobicContact CG2-CG1 4.1Å; V422-Y475 HydrophobicContact CG1-CD2 4.08Å; V422-Y475 HydrophobicContact CG1-CE2 3.99Å; V422-Y475 HydrophobicContact CG2-CD2 3.9Å; V422-Y475 HydrophobicContact CG2-CG 3.91Å |
| 423 | S | 94.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.5 | -43.2 | -174 | 63.9 | 0 | 0 | 0 | 0 | 112.7 | E419 L426 R427 M428 | E419-S423 WeakPolarHBondContact O-CA 3.46Å; E419-S423 WeakPolarHBondContact O-CB 3.39Å; E419-S423 PolarHBondContact O-N 2.97Å; E419-S423 PolarHBondContact O-OG 2.87Å; S423-L426 PolarHBondContact O-N 3.5Å; S423-R427 WeakPolarHBondContact O-CA 3.31Å; S423-R427 PolarHBondContact O-N 3.17Å; S423-M428 WeakPolarHBondContact CA-O 3.42Å; S423-M428 WeakPolarHBondContact CB-O 3.2Å; S423-M428 PolarHBondContact O-N 3.4Å |
| 424 | V | 95.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.4 | -47.5 | -172.9 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | A183 V186 L187 L201 Y420 L426 R427 F429 | A183-V424 HydrophobicContact CB-CG1 4.29Å; V186-V424 HydrophobicContact CB-CG1 4.32Å; V186-V424 HydrophobicContact CG1-CG1 3.88Å; L187-V424 HydrophobicContact CD1-CG1 4.44Å; L187-V424 HydrophobicContact CD2-CG1 4.14Å; L187-V424 HydrophobicContact CG-CG1 4.05Å; L201-V424 HydrophobicContact CD1-CB 3.75Å; L201-V424 HydrophobicContact CD1-CG1 3.75Å; Y420-V424 HydrophobicContact CD2-CG2 4.1Å; Y420-V424 VanDerWaalsContact O-CB 3.32Å; Y420-V424 WeakPolarHBondContact O-CB 3.3Å; Y420-V424 VanDerWaalsContact O-CG2 3.32Å; Y420-V424 WeakPolarHBondContact O-CG2 3.15Å; Y420-V424 PolarHBondContact O-N 3.4Å; V424-L426 VanDerWaalsContact C-N 3.29Å; V424-L426 PolarHBondContact O-N 2.88Å; V424-R427 PolarHBondContact O-N 2.91Å; V424-F429 HydrophobicContact CG2-CE1 4.15Å; V424-F429 HydrophobicContact CG2-CZ 4.5Å |
| 425 | P | 94.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -33.8 | 177.2 | -25.4 | 37.3 | 0 | 0 | 0 | 114.1 | P194 S197 L198 L201 L421 | P194-P425 WeakPolarHBondContact O-CB 3.36Å; S197-P425 WeakPolarHBondContact OG-CA 3.37Å; S197-P425 WeakPolarHBondContact OG-CB 3.47Å; L198-P425 HydrophobicContact CB-CB 4.3Å; L198-P425 HydrophobicContact CB-CG 4.09Å; L198-P425 HydrophobicContact CD1-CG 4.42Å; L201-P425 HydrophobicContact CD1-CG 3.62Å; L421-P425 VanDerWaalsContact O-CD 3.29Å; L421-P425 WeakPolarHBondContact O-CD 3.15Å; L421-P425 VanDerWaalsContact O-CG 3.26Å; L421-P425 WeakPolarHBondContact O-CG 3.41Å |
| 426 | L | 92.4 | Very high | 93.2 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -88.7 | -9.4 | -179.2 | -58.1 | 176.3 | 0 | 0 | 0 | 112.6 | P194 V422 S423 V424 M428 Y475 V476 Y479 | P194-L426 HydrophobicContact CB-CD2 4.05Å; V422-L426 HydrophobicContact CG2-CD1 4.12Å; V422-L426 WeakPolarHBondContact O-CD1 3.49Å; V422-L426 WeakPolarHBondContact O-CG 3.4Å; S423-L426 PolarHBondContact O-N 3.5Å; V424-L426 VanDerWaalsContact C-N 3.29Å; V424-L426 PolarHBondContact O-N 2.88Å; L426-M428 VanDerWaalsContact C-N 3.27Å; L426-M428 HydrophobicContact CB-CG 4.35Å; L426-M428 HydrophobicContact CB-SD 4.33Å; L426-M428 WeakPolarHBondContact O-CG 3.26Å; L426-M428 PolarHBondContact O-N 3.37Å; L426-Y475 HydrophobicContact CD1-CG 4.49Å; L426-V476 HydrophobicContact CD1-CG2 4.44Å; L426-Y479 HydrophobicContact CB-CD2 4.27Å; L426-Y479 HydrophobicContact CD2-CD1 4.12Å; L426-Y479 HydrophobicContact CD2-CD2 3.84Å; L426-Y479 HydrophobicContact CD2-CE2 4.42Å; L426-Y479 HydrophobicContact CD2-CG 3.7Å |
| 427 | R | 92.4 | Very high | 93 | Very high | 104 Ų | 104 | 40.9 Ų | 40.9 | 39% | 0.392 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 35.1 | -175.7 | -53.4 | -179 | 174.2 | -175.9 | -5.1 | 113.3 | V186 L187 V189 S423 V424 | V186-R427 PolarHBondContact O-NH2 3.34Å; L187-R427 HydrophobicContact CD2-CG 4.14Å; V189-R427 PolarHBondContact O-NH2 3.46Å; S423-R427 WeakPolarHBondContact O-CA 3.31Å; S423-R427 PolarHBondContact O-N 3.17Å; V424-R427 PolarHBondContact O-N 2.91Å |
| 428 | M | 90.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | trans | -125.3 | 110.1 | -175.2 | -65.8 | 176.7 | 83.2 | 0 | 0 | 110.7 | S423 L426 R430 Y475 D478 L482 | S423-M428 WeakPolarHBondContact CA-O 3.42Å; S423-M428 WeakPolarHBondContact CB-O 3.2Å; S423-M428 PolarHBondContact O-N 3.4Å; L426-M428 VanDerWaalsContact C-N 3.27Å; L426-M428 HydrophobicContact CB-CG 4.35Å; L426-M428 HydrophobicContact CB-SD 4.33Å; L426-M428 WeakPolarHBondContact O-CG 3.26Å; L426-M428 PolarHBondContact O-N 3.37Å; M428-R430 VanDerWaalsContact CE-NH1 3.35Å; M428-R430 VanDerWaalsContact CE-NH2 3.31Å; M428-R430 PolarHBondContact O-N 3.16Å; M428-Y475 HydrophobicContact CB-CD1 3.94Å; M428-Y475 HydrophobicContact CB-CE1 4.15Å; M428-Y475 VanDerWaalsContact O-CE1 3.26Å; M428-Y475 WeakPolarHBondContact O-CE1 3.2Å; M428-D478 HydrophobicContact CE-CB 3.64Å; M428-L482 HydrophobicContact CE-CD1 4.27Å | ||
| 429 | F | 91.9 | Very high | 92.5 | Very high | 123 Ų | 123 | 41.8 Ų | 41.8 | 54% | 0.539 | 21% | 0.21 | S | C | . | . | trans | -104.9 | 65.1 | -176 | -60.6 | -78 | 0 | 0 | 0 | 112.2 | L187 V424 | L187-F429 HydrophobicContact CD1-CZ 4.18Å; L187-F429 HydrophobicContact CD2-CE2 4.33Å; L187-F429 HydrophobicContact CD2-CZ 4.01Å; V424-F429 HydrophobicContact CG2-CE1 4.15Å; V424-F429 HydrophobicContact CG2-CZ 4.5Å | ||
| 430 | R | 87.5 | Confident | 92.1 | Very high | 62 Ų | 62 | 41.7 Ų | 41.7 | 23% | 0.234 | 21% | 0.209 | C | C | . | . | trans | -94.5 | -10.1 | -176.6 | -64.1 | -179 | 179.1 | 169.8 | -8.1 | 114.5 | M428 W432 Y475 D478 | M428-R430 VanDerWaalsContact CE-NH1 3.35Å; M428-R430 VanDerWaalsContact CE-NH2 3.31Å; M428-R430 PolarHBondContact O-N 3.16Å; R430-W432 HydrophobicContact CB-CD2 3.88Å; R430-W432 HydrophobicContact CB-CE3 4.32Å; R430-W432 HydrophobicContact CB-CG 4.14Å; R430-W432 PolarHBondContact O-N 2.81Å; R430-Y475 HydrophobicContact CB-CE1 4.2Å; R430-D478 IonicContact CZ-OD2 2.82Å; R430-D478 VanDerWaalsContact NH1-CB 3.34Å; R430-D478 IonicContact NH1-OD2 3.16Å; R430-D478 PolarHBondContact NH1-OD2 3.06Å; R430-D478 IonicContact NH2-OD2 2.72Å; R430-D478 PolarHBondContact NH2-OD2 3.17Å | ||
| 431 | L | 91.6 | Very high | 91.7 | Very high | 96 Ų | 96 | 43 Ų | 43 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | trans | 60.9 | 22.6 | 178.8 | -63.9 | 150.5 | 0 | 0 | 0 | 114.7 | E419 F434 T435 Y475 | E419-L431 HydrophobicContact CG-CD2 4.33Å; E419-L431 WeakPolarHBondContact OE1-CA 3.24Å; E419-L431 PolarHBondContact OE1-N 3.07Å; E419-L431 VanDerWaalsContact OE1-N 3.15Å; L431-F434 HydrophobicContact CB-CB 4.46Å; L431-F434 HydrophobicContact CD2-CB 4.12Å; L431-F434 HydrophobicContact CD2-CG 4.36Å; L431-T435 WeakPolarHBondContact O-CB 3.15Å; L431-T435 PolarHBondContact O-N 3.15Å; L431-T435 PolarHBondContact O-OG1 3.47Å; L431-Y475 PolarHBondContact N-OH 3.19Å | ||
| 432 | W | 90.8 | Very high | 91.4 | Very high | 67 Ų | 67 | 45 Ų | 45 | 25% | 0.254 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.1 | -41.3 | 177.3 | -63.2 | -26.2 | 0 | 0 | 0 | 112.1 | F314 R430 T435 G436 M474 Y475 | F314-W432 HydrophobicContact CB-CH2 4.34Å; R430-W432 HydrophobicContact CB-CD2 3.88Å; R430-W432 HydrophobicContact CB-CE3 4.32Å; R430-W432 HydrophobicContact CB-CG 4.14Å; R430-W432 PolarHBondContact O-N 2.81Å; W432-T435 PolarHBondContact O-N 3.14Å; W432-G436 PolarHBondContact O-N 3.37Å; W432-M474 HydrophobicContact CD2-CE 3.89Å; W432-M474 HydrophobicContact CE3-CB 3.59Å; W432-M474 HydrophobicContact CE3-CE 3.91Å; W432-M474 HydrophobicContact CH2-CB 4.39Å; W432-M474 HydrophobicContact CH2-CE 3.81Å; W432-M474 HydrophobicContact CZ2-CE 3.89Å; W432-M474 HydrophobicContact CZ3-CB 3.5Å; W432-M474 VanDerWaalsContact CZ3-CB 3.5Å; W432-M474 HydrophobicContact CZ3-CE 3.88Å; W432-Y475 HydrophobicContact CB-CE2 3.71Å; W432-Y475 HydrophobicContact CE3-CD2 4.29Å; W432-Y475 HydrophobicContact CE3-CE2 4.19Å; W432-Y475 HydrophobicContact CG-CE2 4.49Å; W432-Y475 PolarHBondContact N-OH 3.26Å |
| 433 | A | 91.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.7 | -36.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E419 V422 M437 Q468 Y475 | E419-A433 WeakPolarHBondContact OE2-CB 3.43Å; E419-A433 PolarHBondContact OE2-N 2.87Å; V422-A433 HydrophobicContact CG1-CB 3.75Å; A433-M437 WeakPolarHBondContact O-CG 3.37Å; A433-M437 PolarHBondContact O-N 2.91Å; A433-Q468 PolarHBondContact O-NE2 2.62Å; A433-Y475 HydrophobicContact CB-CE2 3.98Å |
| 434 | F | 93 | Very high | 90.9 | Very high | 64 Ų | 64 | 47.4 Ų | 47.4 | 28% | 0.281 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.7 | -50.5 | 170.6 | -170.9 | -85.3 | 0 | 0 | 0 | 111.9 | L412 A415 E419 L431 G436 M437 M438 | L412-F434 HydrophobicContact CD2-CZ 3.84Å; A415-F434 HydrophobicContact CB-CD2 3.55Å; A415-F434 HydrophobicContact CB-CE2 3.67Å; A415-F434 HydrophobicContact CB-CG 4.16Å; A415-F434 HydrophobicContact CB-CZ 4.37Å; E419-F434 HydrophobicContact CB-CB 4.27Å; E419-F434 HydrophobicContact CG-CB 4.42Å; E419-F434 PolarHBondContact OE2-N 3.12Å; L431-F434 HydrophobicContact CB-CB 4.46Å; L431-F434 HydrophobicContact CD2-CB 4.12Å; L431-F434 HydrophobicContact CD2-CG 4.36Å; F434-G436 VanDerWaalsContact C-N 3.35Å; F434-G436 PolarHBondContact O-N 3.46Å; F434-M437 PolarHBondContact O-N 3.02Å; F434-M438 HydrophobicContact CD1-CG 4.05Å; F434-M438 HydrophobicContact CE1-CG 3.68Å; F434-M438 HydrophobicContact CZ-CG 4.21Å; F434-M438 WeakPolarHBondContact O-CG 3.46Å; F434-M438 PolarHBondContact O-N 3.24Å |
| 435 | T | 91.4 | Very high | 90.6 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 52% | 0.521 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 179.2 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | L431 W432 M437 M438 A439 | L431-T435 WeakPolarHBondContact O-CB 3.15Å; L431-T435 PolarHBondContact O-N 3.15Å; L431-T435 PolarHBondContact O-OG1 3.47Å; W432-T435 PolarHBondContact O-N 3.14Å; T435-M437 PolarHBondContact O-N 3.19Å; T435-M438 PolarHBondContact O-N 3.12Å; T435-A439 WeakPolarHBondContact O-CB 3.38Å; T435-A439 PolarHBondContact O-N 2.93Å |
| 436 | G | 90.6 | Very high | 90.5 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 19% | 0.186 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W432 F434 A439 Q440 Q468 | W432-G436 PolarHBondContact O-N 3.37Å; F434-G436 VanDerWaalsContact C-N 3.35Å; F434-G436 PolarHBondContact O-N 3.46Å; G436-A439 PolarHBondContact O-N 2.86Å; G436-Q440 WeakPolarHBondContact O-CG 3.33Å; G436-Q440 PolarHBondContact O-N 3Å; G436-Q468 VanDerWaalsContact CA-OE1 3.29Å |
| 437 | M | 91.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -39 | 176.6 | -74.2 | -56.5 | -63.2 | 0 | 0 | 112.7 | W377 A415 H418 A433 F434 T435 Q440 Q468 | W377-M437 HydrophobicContact CH2-CE 3.89Å; W377-M437 HydrophobicContact CH2-SD 3.92Å; W377-M437 HydrophobicContact CZ2-CE 4.16Å; W377-M437 HydrophobicContact CZ2-SD 4.25Å; W377-M437 HydrophobicContact CZ3-CE 4.3Å; A415-M437 HydrophobicContact CB-CB 3.72Å; A415-M437 HydrophobicContact CB-CG 4.34Å; H418-M437 HydrophobicContact CB-CG 4.23Å; A433-M437 WeakPolarHBondContact O-CG 3.37Å; A433-M437 PolarHBondContact O-N 2.91Å; F434-M437 PolarHBondContact O-N 3.02Å; T435-M437 PolarHBondContact O-N 3.19Å; M437-Q440 WeakPolarHBondContact O-CB 3.39Å; M437-Q440 PolarHBondContact O-N 3.48Å; M437-Q468 VanDerWaalsContact N-OE1 3.07Å; M437-Q468 VanDerWaalsContact SD-CD 3.54Å; M437-Q468 HydrophobicContact SD-CG 3.76Å |
| 438 | M | 90.8 | Very high | 90.3 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 27% | 0.271 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.7 | -35.1 | 178.3 | -69.9 | -55.9 | -62.5 | 0 | 0 | 112.2 | L412 F434 T435 Q440 I441 P442 | L412-M438 HydrophobicContact CD2-CE 4.04Å; L412-M438 HydrophobicContact CD2-SD 3.73Å; L412-M438 HydrophobicContact CG-SD 4.34Å; F434-M438 HydrophobicContact CD1-CG 4.05Å; F434-M438 HydrophobicContact CE1-CG 3.68Å; F434-M438 HydrophobicContact CZ-CG 4.21Å; F434-M438 WeakPolarHBondContact O-CG 3.46Å; F434-M438 PolarHBondContact O-N 3.24Å; T435-M438 PolarHBondContact O-N 3.12Å; M438-Q440 PolarHBondContact O-N 2.72Å; M438-I441 HydrophobicContact CE-CD1 3.87Å; M438-I441 PolarHBondContact O-N 3.43Å; M438-I441 HydrophobicContact SD-CD1 4.29Å; M438-P442 VanDerWaalsContact O-CD 3.3Å; M438-P442 WeakPolarHBondContact O-CD 3.34Å |
| 439 | A | 90.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 62.1 Ų | 62.1 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.6 | -20.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T435 G436 I441 P442 L443 | T435-A439 WeakPolarHBondContact O-CB 3.38Å; T435-A439 PolarHBondContact O-N 2.93Å; G436-A439 PolarHBondContact O-N 2.86Å; A439-I441 VanDerWaalsContact C-N 3.25Å; A439-I441 PolarHBondContact O-N 3.38Å; A439-P442 VanDerWaalsContact O-CD 3.27Å; A439-P442 WeakPolarHBondContact O-CD 3.47Å; A439-P442 WeakPolarHBondContact O-CG 3.42Å; A439-L443 VanDerWaalsContact O-CB 3.27Å; A439-L443 WeakPolarHBondContact O-CB 3.35Å; A439-L443 PolarHBondContact O-N 3.46Å |
| 440 | Q | 88.4 | Confident | 90.4 | Very high | 10 Ų | 10 | 62.2 Ų | 62.2 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.7 | -27.1 | 174.1 | -67.8 | -69.9 | -27.7 | 0 | 0 | 113 | W377 F411 G436 M437 M438 A444 | W377-Q440 HydrophobicContact CZ2-CG 4.13Å; F411-Q440 HydrophobicContact CE1-CB 4.46Å; G436-Q440 WeakPolarHBondContact O-CG 3.33Å; G436-Q440 PolarHBondContact O-N 3Å; M437-Q440 WeakPolarHBondContact O-CB 3.39Å; M437-Q440 PolarHBondContact O-N 3.48Å; M438-Q440 PolarHBondContact O-N 2.72Å; Q440-A444 WeakPolarHBondContact O-CB 3.35Å; Q440-A444 PolarHBondContact O-N 2.99Å |
| 441 | I | 87.6 | Confident | 90.6 | Very high | 48 Ų | 48 | 63.1 Ų | 63.1 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66 | -56.4 | -179.1 | -57.1 | 172.2 | 0 | 0 | 0 | 111.6 | F411 M438 A439 L443 A444 W445 | F411-I441 HydrophobicContact CB-CD1 3.84Å; F411-I441 HydrophobicContact CB-CG1 4.32Å; F411-I441 HydrophobicContact CD1-CD1 4.41Å; F411-I441 HydrophobicContact CD1-CG1 3.96Å; F411-I441 HydrophobicContact CD2-CD1 4.37Å; F411-I441 HydrophobicContact CD2-CG1 4.18Å; F411-I441 HydrophobicContact CE1-CG1 4.32Å; F411-I441 HydrophobicContact CG-CD1 3.97Å; F411-I441 HydrophobicContact CG-CG1 3.89Å; M438-I441 HydrophobicContact CE-CD1 3.87Å; M438-I441 PolarHBondContact O-N 3.43Å; M438-I441 HydrophobicContact SD-CD1 4.29Å; A439-I441 VanDerWaalsContact C-N 3.25Å; A439-I441 PolarHBondContact O-N 3.38Å; I441-L443 VanDerWaalsContact C-N 3.29Å; I441-L443 PolarHBondContact O-N 3.02Å; I441-A444 PolarHBondContact O-N 2.79Å; I441-W445 PolarHBondContact O-N 3.12Å |
| 442 | P | 90.1 | Very high | 90.4 | Very high | 81 Ų | 81 | 66 Ų | 66 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 175.5 | 24.9 | -33.5 | 0 | 0 | 0 | 111.9 | M438 A439 W445 F446 | M438-P442 VanDerWaalsContact O-CD 3.3Å; M438-P442 WeakPolarHBondContact O-CD 3.34Å; A439-P442 VanDerWaalsContact O-CD 3.27Å; A439-P442 WeakPolarHBondContact O-CD 3.47Å; A439-P442 WeakPolarHBondContact O-CG 3.42Å; P442-W445 PolarHBondContact O-N 3.4Å; P442-F446 WeakPolarHBondContact O-CB 3.32Å; P442-F446 PolarHBondContact O-N 3.25Å |
| 443 | L | 88.2 | Confident | 90.4 | Very high | 56 Ų | 56 | 63.9 Ų | 63.9 | 29% | 0.293 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 176.3 | -175.4 | 62.7 | 0 | 0 | 0 | 112.2 | A439 I441 W445 F446 V447 T463 | A439-L443 VanDerWaalsContact O-CB 3.27Å; A439-L443 WeakPolarHBondContact O-CB 3.35Å; A439-L443 PolarHBondContact O-N 3.46Å; I441-L443 VanDerWaalsContact C-N 3.29Å; I441-L443 PolarHBondContact O-N 3.02Å; L443-W445 VanDerWaalsContact C-N 3.31Å; L443-W445 PolarHBondContact O-N 3.27Å; L443-F446 PolarHBondContact O-N 2.75Å; L443-V447 HydrophobicContact CD1-CG2 4.25Å; L443-V447 HydrophobicContact CG-CG2 4.45Å; L443-V447 WeakPolarHBondContact O-CG2 3.48Å; L443-V447 PolarHBondContact O-N 3.4Å; L443-T463 HydrophobicContact CD1-CG2 4.19Å; L443-T463 HydrophobicContact CD2-CG2 3.5Å; L443-T463 VanDerWaalsContact CD2-CG2 3.5Å; L443-T463 HydrophobicContact CG-CG2 3.92Å |
| 444 | A | 88.6 | Confident | 90.2 | Very high | 12 Ų | 12 | 68.3 Ų | 68.3 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | V373 Q440 I441 G448 | V373-A444 HydrophobicContact CB-CB 3.86Å; V373-A444 HydrophobicContact CG1-CB 3.92Å; Q440-A444 WeakPolarHBondContact O-CB 3.35Å; Q440-A444 PolarHBondContact O-N 2.99Å; I441-A444 PolarHBondContact O-N 2.79Å; A444-G448 PolarHBondContact O-N 3.39Å; A444-G448 VanDerWaalsContact O-N 3.09Å |
| 445 | W | 89.7 | Confident | 90.1 | Very high | 176 Ų | 176 | 73.8 Ų | 73.8 | 67% | 0.667 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.5 | -45.9 | 172.9 | 177.2 | 85.9 | 0 | 0 | 0 | 111.4 | I441 P442 L443 G448 R449 | I441-W445 PolarHBondContact O-N 3.12Å; P442-W445 PolarHBondContact O-N 3.4Å; L443-W445 VanDerWaalsContact C-N 3.31Å; L443-W445 PolarHBondContact O-N 3.27Å; W445-G448 PolarHBondContact O-N 3.34Å; W445-R449 HydrophobicContact CZ2-CG 4.47Å; W445-R449 WeakPolarHBondContact O-CB 3.35Å; W445-R449 PolarHBondContact O-N 3.32Å |
| 446 | F | 91.9 | Very high | 90.1 | Very high | 96 Ų | 96 | 69.8 Ų | 69.8 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.1 | -54 | 178.2 | 179 | -95.7 | 0 | 0 | 0 | 111.5 | P442 L443 G448 R449 F450 F451 | P442-F446 WeakPolarHBondContact O-CB 3.32Å; P442-F446 PolarHBondContact O-N 3.25Å; L443-F446 PolarHBondContact O-N 2.75Å; F446-G448 VanDerWaalsContact C-N 3.33Å; F446-G448 PolarHBondContact O-N 3.43Å; F446-R449 PolarHBondContact O-N 3.22Å; F446-F450 HydrophobicContact CD1-CD2 4.42Å; F446-F450 AromaticContact CD2-CD2 3.36Å; F446-F450 HydrophobicContact CD2-CD2 3.36Å; F446-F450 AromaticContact CD2-CE2 3.37Å; F446-F450 HydrophobicContact CD2-CE2 3.37Å; F446-F450 HydrophobicContact CE1-CD2 4.45Å; F446-F450 AromaticContact CE2-CD2 3.37Å; F446-F450 HydrophobicContact CE2-CD2 3.37Å; F446-F450 AromaticContact CE2-CE2 3.46Å; F446-F450 HydrophobicContact CE2-CE2 3.46Å; F446-F450 VanDerWaalsContact CE2-CE2 3.46Å; F446-F450 HydrophobicContact CE2-CG 4.29Å; F446-F450 HydrophobicContact CE2-CZ 4.4Å; F446-F450 AromaticContact CG-CD2 3.9Å; F446-F450 HydrophobicContact CG-CD2 3.9Å; F446-F450 HydrophobicContact CG-CE2 4.28Å; F446-F450 AromaticContact CZ-CD2 3.95Å; F446-F450 HydrophobicContact CZ-CD2 3.95Å; F446-F450 HydrophobicContact CZ-CE2 4.43Å; F446-F450 VanDerWaalsContact O-CD2 3.24Å; F446-F450 WeakPolarHBondContact O-CD2 3.45Å; F446-F450 PolarHBondContact O-N 3.13Å; F446-F451 HydrophobicContact CD1-CE2 4.47Å; F446-F451 AromaticContact CE1-CE2 3.84Å; F446-F451 HydrophobicContact CE1-CE2 3.84Å |
| 447 | V | 90.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.7 | -46.6 | -179.6 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V373 L443 R449 F450 F451 A459 T463 | V373-V447 HydrophobicContact CG2-CB 4.13Å; V373-V447 HydrophobicContact CG2-CG1 4.23Å; V373-V447 HydrophobicContact CG2-CG2 4.17Å; L443-V447 HydrophobicContact CD1-CG2 4.25Å; L443-V447 HydrophobicContact CG-CG2 4.45Å; L443-V447 WeakPolarHBondContact O-CG2 3.48Å; L443-V447 PolarHBondContact O-N 3.4Å; V447-R449 PolarHBondContact O-N 3.4Å; V447-F450 PolarHBondContact O-N 2.87Å; V447-F451 PolarHBondContact O-N 3.21Å; V447-A459 HydrophobicContact CG1-CB 3.78Å; V447-A459 HydrophobicContact CG2-CB 4.23Å; V447-T463 HydrophobicContact CG2-CG2 4.46Å |
| 448 | G | 89.1 | Confident | 90.3 | Very high | 46 Ų | 46 | 73 Ų | 73 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.5 | -17.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A444 W445 F446 | A444-G448 PolarHBondContact O-N 3.39Å; A444-G448 VanDerWaalsContact O-N 3.09Å; W445-G448 PolarHBondContact O-N 3.34Å; F446-G448 VanDerWaalsContact C-N 3.33Å; F446-G448 PolarHBondContact O-N 3.43Å |
| 449 | R | 91.7 | Very high | 90.4 | Very high | 153 Ų | 153 | 71.1 Ų | 71.1 | 58% | 0.577 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -90 | -33.7 | 179.1 | -178.4 | 61 | -174.2 | 89.4 | -4.4 | 113.1 | W445 F446 V447 | W445-R449 HydrophobicContact CZ2-CG 4.47Å; W445-R449 WeakPolarHBondContact O-CB 3.35Å; W445-R449 PolarHBondContact O-N 3.32Å; F446-R449 PolarHBondContact O-N 3.22Å; V447-R449 PolarHBondContact O-N 3.4Å |
| 450 | F | 92.4 | Very high | 90.5 | Very high | 125 Ų | 125 | 68.7 Ų | 68.7 | 55% | 0.548 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -110.4 | -23.8 | -169.9 | -66.9 | -72.2 | 0 | 0 | 0 | 114.7 | F446 V447 | F446-F450 HydrophobicContact CD1-CD2 4.42Å; F446-F450 AromaticContact CD2-CD2 3.36Å; F446-F450 HydrophobicContact CD2-CD2 3.36Å; F446-F450 AromaticContact CD2-CE2 3.37Å; F446-F450 HydrophobicContact CD2-CE2 3.37Å; F446-F450 HydrophobicContact CE1-CD2 4.45Å; F446-F450 AromaticContact CE2-CD2 3.37Å; F446-F450 HydrophobicContact CE2-CD2 3.37Å; F446-F450 AromaticContact CE2-CE2 3.46Å; F446-F450 HydrophobicContact CE2-CE2 3.46Å; F446-F450 VanDerWaalsContact CE2-CE2 3.46Å; F446-F450 HydrophobicContact CE2-CG 4.29Å; F446-F450 HydrophobicContact CE2-CZ 4.4Å; F446-F450 AromaticContact CG-CD2 3.9Å; F446-F450 HydrophobicContact CG-CD2 3.9Å; F446-F450 HydrophobicContact CG-CE2 4.28Å; F446-F450 AromaticContact CZ-CD2 3.95Å; F446-F450 HydrophobicContact CZ-CD2 3.95Å; F446-F450 HydrophobicContact CZ-CE2 4.43Å; F446-F450 VanDerWaalsContact O-CD2 3.24Å; F446-F450 WeakPolarHBondContact O-CD2 3.45Å; F446-F450 PolarHBondContact O-N 3.13Å; V447-F450 PolarHBondContact O-N 2.87Å |
| 451 | F | 92.4 | Very high | 90.8 | Very high | 81 Ų | 81 | 71.6 Ų | 71.6 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | trans | -118.3 | 144 | -178 | -59.1 | -89.8 | 0 | 0 | 0 | 111.1 | F446 V447 A459 | F446-F451 HydrophobicContact CD1-CE2 4.47Å; F446-F451 AromaticContact CE1-CE2 3.84Å; F446-F451 HydrophobicContact CE1-CE2 3.84Å; V447-F451 PolarHBondContact O-N 3.21Å; F451-A459 HydrophobicContact CB-CB 4.45Å; F451-A459 HydrophobicContact CD2-CB 4.22Å; F451-A459 HydrophobicContact CG-CB 4.15Å | ||
| 452 | Q | 88.3 | Confident | 91 | Very high | 156 Ų | 156 | 74 Ų | 74 | 73% | 0.729 | 37% | 0.366 | S | S | * | . | trans | -140.8 | 154.4 | -179.4 | -64.8 | 179.5 | -5.1 | 0 | 0 | 110.1 | N454 Y455 G456 | Q452-N454 PolarHBondContact O-N 3.29Å; Q452-Y455 PolarHBondContact O-N 3.05Å; Q452-G456 PolarHBondContact O-N 2.8Å | ||
| 453 | G | 89.1 | Confident | 91 | Very high | 23 Ų | 23 | 70.8 Ų | 70.8 | 24% | 0.237 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | 56.7 | -135.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E371 Y455 G456 N457 | E371-G453 PolarHBondContact OE2-N 3.06Å; G453-Y455 VanDerWaalsContact C-N 3.27Å; G453-Y455 PolarHBondContact O-N 2.88Å; G453-G456 WeakPolarHBondContact O-CA 3.36Å; G453-G456 PolarHBondContact O-N 2.95Å; G453-N457 PolarHBondContact O-N 3.24Å |
| 454 | N | 88.7 | Confident | 91.1 | Very high | 94 Ų | 94 | 69.2 Ų | 69.2 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.6 | -33.8 | -178.5 | -67.9 | -14.7 | 0 | 0 | 0 | 113.5 | S81 Q452 N457 A458 | S81-N454 WeakPolarHBondContact CB-ND2 3.3Å; S81-N454 PolarHBondContact OG-ND2 3.09Å; Q452-N454 PolarHBondContact O-N 3.29Å; N454-N457 WeakPolarHBondContact O-CB 3.27Å; N454-N457 PolarHBondContact O-N 3.35Å; N454-A458 PolarHBondContact O-N 3.38Å |
| 455 | Y | 90.6 | Very high | 91.1 | Very high | 179 Ų | 179 | 71 Ų | 71 | 70% | 0.702 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -72.6 | -33.2 | 175.8 | -64.6 | -76.9 | 0 | 0 | 0 | 112.2 | Q452 G453 N457 A458 A459 | Q452-Y455 PolarHBondContact O-N 3.05Å; G453-Y455 VanDerWaalsContact C-N 3.27Å; G453-Y455 PolarHBondContact O-N 2.88Å; Y455-N457 VanDerWaalsContact C-N 3.33Å; Y455-A458 PolarHBondContact O-N 2.85Å; Y455-A459 WeakPolarHBondContact O-CB 3.27Å; Y455-A459 PolarHBondContact O-N 3.45Å |
| 456 | G | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E371 Q452 G453 A459 V460 | E371-G456 CarbonylContact O-C 3.54Å; E371-G456 WeakPolarHBondContact O-CA 3.48Å; Q452-G456 PolarHBondContact O-N 2.8Å; G453-G456 WeakPolarHBondContact O-CA 3.36Å; G453-G456 PolarHBondContact O-N 2.95Å; G456-A459 WeakPolarHBondContact O-CB 3.32Å; G456-A459 PolarHBondContact O-N 3.22Å; G456-V460 WeakPolarHBondContact O-CG2 3.29Å; G456-V460 PolarHBondContact O-N 3.29Å |
| 457 | N | 93.4 | Very high | 90.7 | Very high | 33 Ų | 33 | 63.1 Ų | 63.1 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -47.4 | 174.4 | -174.1 | -90.7 | 0 | 0 | 0 | 112.5 | W368 N369 S370 G453 N454 Y455 A459 V460 W461 | W368-N457 PolarHBondContact O-ND2 2.88Å; N369-N457 WeakPolarHBondContact CA-ND2 3.15Å; S370-N457 PolarHBondContact N-ND2 3.21Å; S370-N457 WeakPolarHBondContact O-CA 3.12Å; S370-N457 PolarHBondContact O-ND2 3.27Å; S370-N457 VanDerWaalsContact O-ND2 3.17Å; G453-N457 PolarHBondContact O-N 3.24Å; N454-N457 WeakPolarHBondContact O-CB 3.27Å; N454-N457 PolarHBondContact O-N 3.35Å; Y455-N457 VanDerWaalsContact C-N 3.33Å; N457-A459 VanDerWaalsContact C-N 3.3Å; N457-A459 PolarHBondContact O-N 2.99Å; N457-V460 PolarHBondContact O-N 2.96Å; N457-V460 VanDerWaalsContact O-N 3.11Å; N457-W461 VanDerWaalsContact O-CD1 3.29Å; N457-W461 PolarHBondContact O-N 3.5Å; N457-W461 PolarHBondContact OD1-NE1 2.94Å; N457-W461 VanDerWaalsContact OD1-NE1 3.15Å |
| 458 | A | 92.3 | Very high | 90.4 | Very high | 55 Ų | 55 | 63.6 Ų | 63.6 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N454 Y455 V460 W461 L462 | N454-A458 PolarHBondContact O-N 3.38Å; Y455-A458 PolarHBondContact O-N 2.85Å; A458-V460 PolarHBondContact O-N 3.26Å; A458-W461 PolarHBondContact O-N 2.95Å; A458-L462 PolarHBondContact O-N 3.36Å |
| 459 | A | 93.3 | Very high | 90.4 | Very high | 14 Ų | 14 | 62.1 Ų | 62.1 | 12% | 0.116 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V447 F451 Y455 G456 N457 L462 T463 | V447-A459 HydrophobicContact CG1-CB 3.78Å; V447-A459 HydrophobicContact CG2-CB 4.23Å; F451-A459 HydrophobicContact CB-CB 4.45Å; F451-A459 HydrophobicContact CD2-CB 4.22Å; F451-A459 HydrophobicContact CG-CB 4.15Å; Y455-A459 WeakPolarHBondContact O-CB 3.27Å; Y455-A459 PolarHBondContact O-N 3.45Å; G456-A459 WeakPolarHBondContact O-CB 3.32Å; G456-A459 PolarHBondContact O-N 3.22Å; N457-A459 VanDerWaalsContact C-N 3.3Å; N457-A459 PolarHBondContact O-N 2.99Å; A459-L462 WeakPolarHBondContact O-CB 3.48Å; A459-L462 PolarHBondContact O-N 3.49Å; A459-T463 VanDerWaalsContact O-CG2 3.29Å; A459-T463 WeakPolarHBondContact O-CG2 3.2Å; A459-T463 PolarHBondContact O-N 2.99Å |
| 460 | V | 92.8 | Very high | 90 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 111 | S370 S372 V373 F376 G456 N457 A458 L462 T463 L464 | S370-V460 VanDerWaalsContact OG-CG1 3.24Å; S370-V460 WeakPolarHBondContact OG-CG1 3.49Å; S372-V460 VanDerWaalsContact C-CG2 3.43Å; V373-V460 HydrophobicContact CG2-CG2 4.03Å; F376-V460 HydrophobicContact CB-CG1 4.08Å; F376-V460 HydrophobicContact CG-CG1 4.36Å; G456-V460 WeakPolarHBondContact O-CG2 3.29Å; G456-V460 PolarHBondContact O-N 3.29Å; N457-V460 PolarHBondContact O-N 2.96Å; N457-V460 VanDerWaalsContact O-N 3.11Å; A458-V460 PolarHBondContact O-N 3.26Å; V460-L462 VanDerWaalsContact C-N 3.28Å; V460-L462 PolarHBondContact O-N 3.09Å; V460-T463 PolarHBondContact O-N 2.95Å; V460-T463 PolarHBondContact O-OG1 3.28Å; V460-L464 HydrophobicContact CG1-CD1 4.25Å; V460-L464 HydrophobicContact CG1-CG 4.33Å; V460-L464 WeakPolarHBondContact O-CG 3.1Å; V460-L464 PolarHBondContact O-N 3.48Å |
| 461 | W | 93.6 | Very high | 89.8 | Confident | 71 Ų | 71 | 50 Ų | 50 | 27% | 0.269 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.6 | -43.5 | 176.1 | -81.2 | 111.9 | 0 | 0 | 0 | 112.8 | H334 L338 W367 W368 N457 A458 T463 L464 I465 | H334-W461 AromaticContact CE1-CZ3 3.89Å; H334-W461 AromaticContact NE2-CE3 3.78Å; H334-W461 AromaticContact NE2-CZ3 3.53Å; L338-W461 HydrophobicContact CD2-CH2 4.34Å; L338-W461 HydrophobicContact CD2-CZ3 4.1Å; W367-W461 HydrophobicContact CH2-CH2 4.14Å; W367-W461 AromaticContact CZ3-CH2 3.83Å; W367-W461 HydrophobicContact CZ3-CH2 3.83Å; W367-W461 HydrophobicContact CZ3-CZ2 4.48Å; W367-W461 HydrophobicContact CZ3-CZ3 4.16Å; W368-W461 HydrophobicContact CB-CH2 4.3Å; W368-W461 HydrophobicContact CB-CZ2 3.73Å; W368-W461 PolarHBondContact O-NE1 2.93Å; N457-W461 VanDerWaalsContact O-CD1 3.29Å; N457-W461 PolarHBondContact O-N 3.5Å; N457-W461 PolarHBondContact OD1-NE1 2.94Å; N457-W461 VanDerWaalsContact OD1-NE1 3.15Å; A458-W461 PolarHBondContact O-N 2.95Å; W461-T463 VanDerWaalsContact C-N 3.34Å; W461-T463 PolarHBondContact O-N 3.45Å; W461-L464 HydrophobicContact CE3-CD1 4.3Å; W461-L464 HydrophobicContact CZ3-CD1 4.48Å; W461-L464 PolarHBondContact O-N 3.27Å; W461-L464 VanDerWaalsContact O-N 3.14Å; W461-I465 WeakPolarHBondContact O-CG1 3.37Å; W461-I465 PolarHBondContact O-N 3.05Å |
| 462 | L | 91.5 | Very high | 89.5 | Confident | 99 Ų | 99 | 47.6 Ų | 47.6 | 52% | 0.518 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 175.7 | -172.1 | 63.9 | 0 | 0 | 0 | 111 | A458 A459 V460 L464 I465 I466 | A458-L462 PolarHBondContact O-N 3.36Å; A459-L462 WeakPolarHBondContact O-CB 3.48Å; A459-L462 PolarHBondContact O-N 3.49Å; V460-L462 VanDerWaalsContact C-N 3.28Å; V460-L462 PolarHBondContact O-N 3.09Å; L462-L464 VanDerWaalsContact C-N 3.27Å; L462-L464 PolarHBondContact O-N 2.99Å; L462-I465 PolarHBondContact O-N 3.3Å; L462-I465 VanDerWaalsContact O-N 3.09Å; L462-I466 HydrophobicContact CD1-CD1 4.29Å; L462-I466 HydrophobicContact CD1-CG2 4.29Å; L462-I466 HydrophobicContact CD2-CD1 4.47Å; L462-I466 HydrophobicContact CG-CD1 3.96Å; L462-I466 WeakPolarHBondContact O-CG1 3.12Å; L462-I466 PolarHBondContact O-N 3.34Å |
| 463 | T | 90.1 | Very high | 89.5 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 8% | 0.08 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -30 | 176.8 | 69 | 0 | 0 | 0 | 0 | 113.5 | V373 L443 V447 A459 V460 W461 G467 | V373-T463 HydrophobicContact CG2-CG2 4.37Å; L443-T463 HydrophobicContact CD1-CG2 4.19Å; L443-T463 HydrophobicContact CD2-CG2 3.5Å; L443-T463 VanDerWaalsContact CD2-CG2 3.5Å; L443-T463 HydrophobicContact CG-CG2 3.92Å; V447-T463 HydrophobicContact CG2-CG2 4.46Å; A459-T463 VanDerWaalsContact O-CG2 3.29Å; A459-T463 WeakPolarHBondContact O-CG2 3.2Å; A459-T463 PolarHBondContact O-N 2.99Å; V460-T463 PolarHBondContact O-N 2.95Å; V460-T463 PolarHBondContact O-OG1 3.28Å; W461-T463 VanDerWaalsContact C-N 3.34Å; W461-T463 PolarHBondContact O-N 3.45Å; T463-G467 WeakPolarHBondContact O-CA 3.43Å; T463-G467 PolarHBondContact O-N 3.48Å |
| 464 | L | 90.1 | Very high | 89.4 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.9 | -25.8 | 174.8 | -64.1 | 180 | 0 | 0 | 0 | 113.1 | H334 W367 F376 V460 W461 L462 P469 | H334-L464 PolarHBondContact ND1-O 2.88Å; W367-L464 HydrophobicContact CE3-CD1 4.29Å; W367-L464 HydrophobicContact CZ3-CD1 3.89Å; F376-L464 HydrophobicContact CD1-CD2 4.07Å; F376-L464 HydrophobicContact CD2-CD1 3.98Å; F376-L464 HydrophobicContact CD2-CD2 4.2Å; F376-L464 HydrophobicContact CE1-CD2 3.54Å; F376-L464 HydrophobicContact CE2-CD1 3.69Å; F376-L464 HydrophobicContact CE2-CD2 3.68Å; F376-L464 HydrophobicContact CE2-CG 4.33Å; F376-L464 HydrophobicContact CG-CD2 4.39Å; F376-L464 HydrophobicContact CZ-CD1 4.24Å; F376-L464 HydrophobicContact CZ-CD2 3.33Å; F376-L464 HydrophobicContact CZ-CG 4.42Å; V460-L464 HydrophobicContact CG1-CD1 4.25Å; V460-L464 HydrophobicContact CG1-CG 4.33Å; V460-L464 WeakPolarHBondContact O-CG 3.1Å; V460-L464 PolarHBondContact O-N 3.48Å; W461-L464 HydrophobicContact CE3-CD1 4.3Å; W461-L464 HydrophobicContact CZ3-CD1 4.48Å; W461-L464 PolarHBondContact O-N 3.27Å; W461-L464 VanDerWaalsContact O-N 3.14Å; L462-L464 VanDerWaalsContact C-N 3.27Å; L462-L464 PolarHBondContact O-N 2.99Å; L464-P469 WeakPolarHBondContact O-CG 3.48Å |
| 465 | I | 89.4 | Confident | 89.4 | Confident | 49 Ų | 49 | 36.3 Ų | 36.3 | 25% | 0.251 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -81.4 | -48.3 | 176.7 | -66 | 164.2 | 0 | 0 | 0 | 110.2 | A330 H334 W461 L462 | A330-I465 HydrophobicContact CB-CG2 3.96Å; H334-I465 HydrophobicContact CB-CG1 4.19Å; W461-I465 WeakPolarHBondContact O-CG1 3.37Å; W461-I465 PolarHBondContact O-N 3.05Å; L462-I465 PolarHBondContact O-N 3.3Å; L462-I465 VanDerWaalsContact O-N 3.09Å |
| 466 | I | 87.1 | Confident | 89.2 | Confident | 85 Ų | 85 | 30.7 Ų | 30.7 | 44% | 0.436 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -100.1 | -11 | -171.7 | 75.3 | -175.2 | 0 | 0 | 0 | 114.8 | L462 I470 | L462-I466 HydrophobicContact CD1-CD1 4.29Å; L462-I466 HydrophobicContact CD1-CG2 4.29Å; L462-I466 HydrophobicContact CD2-CD1 4.47Å; L462-I466 HydrophobicContact CG-CD1 3.96Å; L462-I466 WeakPolarHBondContact O-CG1 3.12Å; L462-I466 PolarHBondContact O-N 3.34Å; I466-I470 HydrophobicContact CB-CD1 4.27Å |
| 467 | G | 86.6 | Confident | 88.9 | Confident | 21 Ų | 21 | 30.7 Ų | 30.7 | 22% | 0.216 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -88.9 | -119.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T463 I470 | T463-G467 WeakPolarHBondContact O-CA 3.43Å; T463-G467 PolarHBondContact O-N 3.48Å; G467-I470 WeakPolarHBondContact O-CB 3.4Å; G467-I470 PolarHBondContact O-N 3.44Å; G467-I470 VanDerWaalsContact O-N 3.13Å |
| 468 | Q | 84.3 | Confident | 88.6 | Confident | 14 Ų | 14 | 29.1 Ų | 29.1 | 7% | 0.065 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.8 | -39.8 | -168.4 | -171.9 | 63.2 | 11.1 | 0 | 0 | 114.8 | A433 G436 M437 I470 A471 V472 | A433-Q468 PolarHBondContact O-NE2 2.62Å; G436-Q468 VanDerWaalsContact CA-OE1 3.29Å; M437-Q468 VanDerWaalsContact N-OE1 3.07Å; M437-Q468 VanDerWaalsContact SD-CD 3.54Å; M437-Q468 HydrophobicContact SD-CG 3.76Å; Q468-I470 PolarHBondContact O-N 2.9Å; Q468-A471 WeakPolarHBondContact O-CB 3.32Å; Q468-A471 PolarHBondContact O-N 2.86Å; Q468-A471 VanDerWaalsContact O-N 3.08Å; Q468-V472 PolarHBondContact O-N 2.61Å |
| 469 | P | 88 | Confident | 88.4 | Confident | 16 Ų | 16 | 29.2 Ų | 29.2 | 10% | 0.104 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -29.9 | 177.1 | -32.6 | 43.1 | 0 | 0 | 0 | 114.3 | N333 W337 L464 V472 L473 | N333-P469 WeakPolarHBondContact ND2-CB 3.4Å; N333-P469 PolarHBondContact ND2-O 3Å; W337-P469 HydrophobicContact CD2-CB 4.37Å; W337-P469 HydrophobicContact CD2-CG 4.44Å; W337-P469 HydrophobicContact CG-CB 4.14Å; W337-P469 HydrophobicContact CG-CG 4.38Å; L464-P469 WeakPolarHBondContact O-CG 3.48Å; P469-V472 PolarHBondContact O-N 2.82Å; P469-L473 PolarHBondContact O-N 3.38Å |
| 470 | I | 85 | Confident | 87.9 | Confident | 15 Ų | 15 | 31 Ų | 31 | 8% | 0.077 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.2 | -39.2 | 175.7 | -75.4 | -165.8 | 0 | 0 | 0 | 111.1 | L326 A330 I466 G467 Q468 V472 L473 M474 | L326-I470 HydrophobicContact CB-CD1 4.4Å; L326-I470 HydrophobicContact CD1-CG2 3.83Å; L326-I470 HydrophobicContact CD2-CG2 3.71Å; L326-I470 HydrophobicContact CG-CG2 4.29Å; A330-I470 HydrophobicContact CB-CD1 4.16Å; I466-I470 HydrophobicContact CB-CD1 4.27Å; G467-I470 WeakPolarHBondContact O-CB 3.4Å; G467-I470 PolarHBondContact O-N 3.44Å; G467-I470 VanDerWaalsContact O-N 3.13Å; Q468-I470 PolarHBondContact O-N 2.9Å; I470-V472 PolarHBondContact O-N 3.04Å; I470-L473 WeakPolarHBondContact O-CB 3.3Å; I470-L473 PolarHBondContact O-N 2.92Å; I470-L473 VanDerWaalsContact O-N 3.11Å; I470-M474 HydrophobicContact CG2-CG 4.34Å; I470-M474 HydrophobicContact CG2-SD 4.25Å; I470-M474 WeakPolarHBondContact O-CG 3.31Å; I470-M474 PolarHBondContact O-N 3.21Å |
| 471 | A | 88.1 | Confident | 87.4 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 7% | 0.066 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.9 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q468 M474 Y475 | Q468-A471 WeakPolarHBondContact O-CB 3.32Å; Q468-A471 PolarHBondContact O-N 2.86Å; Q468-A471 VanDerWaalsContact O-N 3.08Å; A471-M474 PolarHBondContact O-N 2.77Å; A471-Y475 WeakPolarHBondContact O-CD2 3.45Å |
| 472 | V | 86 | Confident | 87 | Confident | 31 Ų | 31 | 32.3 Ų | 32.3 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | W337 V422 Q468 P469 I470 M474 Y475 V476 | W337-V472 HydrophobicContact CZ2-CB 4.19Å; W337-V472 HydrophobicContact CZ2-CG1 4.19Å; W337-V472 HydrophobicContact CZ2-CG2 4.15Å; V422-V472 HydrophobicContact CG2-CG1 4.1Å; Q468-V472 PolarHBondContact O-N 2.61Å; P469-V472 PolarHBondContact O-N 2.82Å; I470-V472 PolarHBondContact O-N 3.04Å; V472-M474 VanDerWaalsContact C-N 3.25Å; V472-M474 PolarHBondContact O-N 3.08Å; V472-Y475 PolarHBondContact O-N 2.77Å; V472-Y475 VanDerWaalsContact O-N 3.14Å; V472-V476 HydrophobicContact CG1-CG2 4.49Å; V472-V476 PolarHBondContact O-N 3.5Å; V472-V476 VanDerWaalsContact O-N 3.14Å |
| 473 | L | 87.6 | Confident | 86.5 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.8 | -41.3 | 175.3 | 172.5 | 68.4 | 0 | 0 | 0 | 111.6 | M303 L326 L329 N333 P469 I470 Y475 V476 H477 | M303-L473 HydrophobicContact SD-CD1 4.11Å; L326-L473 HydrophobicContact CD2-CD2 4.3Å; L329-L473 HydrophobicContact CB-CD2 3.58Å; L329-L473 HydrophobicContact CD1-CD2 4.2Å; N333-L473 HydrophobicContact CB-CD2 4.25Å; P469-L473 PolarHBondContact O-N 3.38Å; I470-L473 WeakPolarHBondContact O-CB 3.3Å; I470-L473 PolarHBondContact O-N 2.92Å; I470-L473 VanDerWaalsContact O-N 3.11Å; L473-Y475 VanDerWaalsContact C-N 3.3Å; L473-Y475 PolarHBondContact O-N 2.95Å; L473-V476 PolarHBondContact O-N 3.4Å; L473-H477 WeakPolarHBondContact O-CB 3.45Å; L473-H477 PolarHBondContact O-N 3.47Å |
| 474 | M | 87.5 | Confident | 85.9 | Confident | 30 Ų | 30 | 38.8 Ų | 38.8 | 15% | 0.148 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -37.5 | 179 | -66.8 | 171.7 | 67.6 | 0 | 0 | 112.4 | F314 L326 W432 I470 A471 V472 D478 | F314-M474 HydrophobicContact CD2-CB 4.3Å; F314-M474 HydrophobicContact CD2-CG 4.28Å; F314-M474 HydrophobicContact CE2-CG 4.25Å; L326-M474 HydrophobicContact CD1-SD 4.46Å; L326-M474 HydrophobicContact CD2-CG 4.02Å; W432-M474 HydrophobicContact CD2-CE 3.89Å; W432-M474 HydrophobicContact CE3-CB 3.59Å; W432-M474 HydrophobicContact CE3-CE 3.91Å; W432-M474 HydrophobicContact CH2-CB 4.39Å; W432-M474 HydrophobicContact CH2-CE 3.81Å; W432-M474 HydrophobicContact CZ2-CE 3.89Å; W432-M474 HydrophobicContact CZ3-CB 3.5Å; W432-M474 VanDerWaalsContact CZ3-CB 3.5Å; W432-M474 HydrophobicContact CZ3-CE 3.88Å; I470-M474 HydrophobicContact CG2-CG 4.34Å; I470-M474 HydrophobicContact CG2-SD 4.25Å; I470-M474 WeakPolarHBondContact O-CG 3.31Å; I470-M474 PolarHBondContact O-N 3.21Å; A471-M474 PolarHBondContact O-N 2.77Å; V472-M474 VanDerWaalsContact C-N 3.25Å; V472-M474 PolarHBondContact O-N 3.08Å; M474-D478 PolarHBondContact O-N 3.3Å; M474-D478 VanDerWaalsContact O-N 3.16Å |
| 475 | Y | 89.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.6 | -48.7 | 174.1 | -77.1 | -86.1 | 0 | 0 | 0 | 112 | E419 V422 L426 M428 R430 L431 W432 A433 A471 V472 L473 H477 D478 Y479 | E419-Y475 VanDerWaalsContact CD-OH 3.31Å; E419-Y475 PolarHBondContact OE1-OH 2.88Å; E419-Y475 PolarHBondContact OE2-OH 3.17Å; V422-Y475 HydrophobicContact CG1-CD2 4.08Å; V422-Y475 HydrophobicContact CG1-CE2 3.99Å; V422-Y475 HydrophobicContact CG2-CD2 3.9Å; V422-Y475 HydrophobicContact CG2-CG 3.91Å; L426-Y475 HydrophobicContact CD1-CG 4.49Å; M428-Y475 HydrophobicContact CB-CD1 3.94Å; M428-Y475 HydrophobicContact CB-CE1 4.15Å; M428-Y475 VanDerWaalsContact O-CE1 3.26Å; M428-Y475 WeakPolarHBondContact O-CE1 3.2Å; R430-Y475 HydrophobicContact CB-CE1 4.2Å; L431-Y475 PolarHBondContact N-OH 3.19Å; W432-Y475 HydrophobicContact CB-CE2 3.71Å; W432-Y475 HydrophobicContact CE3-CD2 4.29Å; W432-Y475 HydrophobicContact CE3-CE2 4.19Å; W432-Y475 HydrophobicContact CG-CE2 4.49Å; W432-Y475 PolarHBondContact N-OH 3.26Å; A433-Y475 HydrophobicContact CB-CE2 3.98Å; A471-Y475 WeakPolarHBondContact O-CD2 3.45Å; V472-Y475 PolarHBondContact O-N 2.77Å; V472-Y475 VanDerWaalsContact O-N 3.14Å; L473-Y475 VanDerWaalsContact C-N 3.3Å; L473-Y475 PolarHBondContact O-N 2.95Å; Y475-H477 VanDerWaalsContact C-N 3.32Å; Y475-H477 PolarHBondContact O-N 2.96Å; Y475-D478 PolarHBondContact O-N 2.86Å; Y475-Y479 WeakPolarHBondContact O-CB 3.48Å; Y475-Y479 PolarHBondContact O-N 3.39Å |
| 476 | V | 86.5 | Confident | 82.4 | Confident | 61 Ų | 61 | 42.4 Ų | 42.4 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.4 | -39.8 | -177.6 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | L426 V472 L473 Y480 | L426-V476 HydrophobicContact CD1-CG2 4.44Å; V472-V476 HydrophobicContact CG1-CG2 4.49Å; V472-V476 PolarHBondContact O-N 3.5Å; V472-V476 VanDerWaalsContact O-N 3.14Å; L473-V476 PolarHBondContact O-N 3.4Å; V476-Y480 VanDerWaalsContact O-CB 3.31Å; V476-Y480 WeakPolarHBondContact O-CB 3.37Å; V476-Y480 PolarHBondContact O-N 3.11Å |
| 477 | H | 85.4 | Confident | 80.2 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -56.8 | 174 | 174.8 | -83.3 | 0 | 0 | 0 | 111 | F314 L473 Y475 Y479 Y480 V481 | F314-H477 HydrophobicContact CD2-CB 4.18Å; F314-H477 AromaticContact CD2-CE1 3.86Å; F314-H477 AromaticContact CD2-CG 3.79Å; F314-H477 AromaticContact CD2-ND1 3.3Å; F314-H477 VanDerWaalsContact CD2-ND1 3.3Å; F314-H477 WeakPolarHBondContact CD2-ND1 3.17Å; F314-H477 HydrophobicContact CE2-CB 3.7Å; F314-H477 AromaticContact CE2-CD2 3.78Å; F314-H477 AromaticContact CE2-CE1 3.75Å; F314-H477 AromaticContact CE2-CG 3.32Å; F314-H477 AromaticContact CE2-ND1 3.31Å; F314-H477 VanDerWaalsContact CE2-ND1 3.31Å; F314-H477 WeakPolarHBondContact CE2-ND1 3.26Å; L473-H477 WeakPolarHBondContact O-CB 3.45Å; L473-H477 PolarHBondContact O-N 3.47Å; Y475-H477 VanDerWaalsContact C-N 3.32Å; Y475-H477 PolarHBondContact O-N 2.96Å; H477-Y479 VanDerWaalsContact C-N 3.32Å; H477-Y479 PolarHBondContact O-N 3.26Å; H477-Y480 PolarHBondContact O-N 3.06Å; H477-Y480 VanDerWaalsContact O-N 3.12Å; H477-V481 VanDerWaalsContact O-CG2 3.31Å; H477-V481 WeakPolarHBondContact O-CG2 3.22Å; H477-V481 PolarHBondContact O-N 3.13Å |
| 478 | D | 87.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.3 | -33.4 | -176.4 | -86.4 | 32.1 | 0 | 0 | 0 | 112.4 | F314 M428 R430 M474 Y475 L482 | F314-D478 WeakPolarHBondContact CD2-OD1 3.27Å; F314-D478 PolarHBondContact N-OD1 3.46Å; F314-D478 PolarHBondContact N-OD2 2.91Å; M428-D478 HydrophobicContact CE-CB 3.64Å; R430-D478 IonicContact CZ-OD2 2.82Å; R430-D478 VanDerWaalsContact NH1-CB 3.34Å; R430-D478 IonicContact NH1-OD2 3.16Å; R430-D478 PolarHBondContact NH1-OD2 3.06Å; R430-D478 IonicContact NH2-OD2 2.72Å; R430-D478 PolarHBondContact NH2-OD2 3.17Å; M474-D478 PolarHBondContact O-N 3.3Å; M474-D478 VanDerWaalsContact O-N 3.16Å; Y475-D478 PolarHBondContact O-N 2.86Å; D478-L482 VanDerWaalsContact O-CB 3.3Å; D478-L482 WeakPolarHBondContact O-CB 3.39Å; D478-L482 WeakPolarHBondContact O-CD1 3.24Å; D478-L482 WeakPolarHBondContact O-CG 3.49Å; D478-L482 PolarHBondContact O-N 3.08Å |
| 479 | Y | 86.7 | Confident | 75.9 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 169.9 | 177.5 | -91.3 | 0 | 0 | 0 | 111.3 | P194 L426 Y475 H477 L482 N483 | P194-Y479 HydrophobicContact CG-CE1 3.91Å; P194-Y479 HydrophobicContact CG-CE2 3.93Å; P194-Y479 WeakPolarHBondContact CG-OH 3.37Å; L426-Y479 HydrophobicContact CB-CD2 4.27Å; L426-Y479 HydrophobicContact CD2-CD1 4.12Å; L426-Y479 HydrophobicContact CD2-CD2 3.84Å; L426-Y479 HydrophobicContact CD2-CE2 4.42Å; L426-Y479 HydrophobicContact CD2-CG 3.7Å; Y475-Y479 WeakPolarHBondContact O-CB 3.48Å; Y475-Y479 PolarHBondContact O-N 3.39Å; H477-Y479 VanDerWaalsContact C-N 3.32Å; H477-Y479 PolarHBondContact O-N 3.26Å; Y479-L482 PolarHBondContact O-N 3.24Å; Y479-N483 WeakPolarHBondContact CD2-ND2 3.49Å; Y479-N483 WeakPolarHBondContact CE2-ND2 3.45Å; Y479-N483 PolarHBondContact O-N 3.36Å; Y479-N483 PolarHBondContact O-ND2 3.18Å |
| 480 | Y | 83.4 | Confident | 73.9 | Confident | 50 Ų | 50 | 57 Ų | 57 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | -179.7 | -174.9 | -96.4 | 0 | 0 | 0 | 111.5 | V304 I307 Q308 V476 H477 L482 N483 Y484 | V304-Y480 WeakPolarHBondContact CG1-OH 3.47Å; I307-Y480 HydrophobicContact CG2-CD1 3.8Å; I307-Y480 HydrophobicContact CG2-CE1 4.31Å; Q308-Y480 HydrophobicContact CG-CE1 4.2Å; Q308-Y480 PolarHBondContact NE2-OH 3.01Å; V476-Y480 VanDerWaalsContact O-CB 3.31Å; V476-Y480 WeakPolarHBondContact O-CB 3.37Å; V476-Y480 PolarHBondContact O-N 3.11Å; H477-Y480 PolarHBondContact O-N 3.06Å; H477-Y480 VanDerWaalsContact O-N 3.12Å; Y480-L482 PolarHBondContact O-N 2.72Å; Y480-N483 PolarHBondContact O-N 3.28Å; Y480-Y484 AromaticContact CD2-CD2 3.51Å; Y480-Y484 HydrophobicContact CD2-CD2 3.51Å; Y480-Y484 AromaticContact CD2-CE2 3.85Å; Y480-Y484 HydrophobicContact CD2-CE2 3.85Å; Y480-Y484 HydrophobicContact CD2-CG 4.16Å; Y480-Y484 HydrophobicContact CE2-CD1 4.41Å; Y480-Y484 AromaticContact CE2-CD2 3.64Å; Y480-Y484 HydrophobicContact CE2-CD2 3.64Å; Y480-Y484 HydrophobicContact CE2-CE2 4Å; Y480-Y484 AromaticContact CE2-CG 3.87Å; Y480-Y484 HydrophobicContact CE2-CG 3.87Å; Y480-Y484 HydrophobicContact CG-CD2 4.13Å; Y480-Y484 WeakPolarHBondContact O-CB 3.4Å; Y480-Y484 WeakPolarHBondContact O-CD2 3.38Å; Y480-Y484 PolarHBondContact O-N 3.03Å |
| 481 | V | 82 | Confident | 71.4 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.024 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 178.5 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | I307 P313 H477 N483 E485 | I307-V481 HydrophobicContact CG2-CG2 4.05Å; P313-V481 HydrophobicContact CB-CG1 4.47Å; P313-V481 HydrophobicContact CG-CG1 3.75Å; H477-V481 VanDerWaalsContact O-CG2 3.31Å; H477-V481 WeakPolarHBondContact O-CG2 3.22Å; H477-V481 PolarHBondContact O-N 3.13Å; V481-N483 VanDerWaalsContact C-N 3.33Å; V481-N483 PolarHBondContact O-N 3.49Å; V481-E485 HydrophobicContact CG1-CG 4.12Å; V481-E485 WeakPolarHBondContact CG1-OE1 3.49Å; V481-E485 WeakPolarHBondContact O-CB 3.4Å; V481-E485 WeakPolarHBondContact O-CG 3.24Å; V481-E485 PolarHBondContact O-N 3.5Å |
| 482 | L | 85 | Confident | 70.6 | Confident | 97 Ų | 97 | 67.1 Ų | 67.1 | 51% | 0.508 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.4 | -27.9 | -178.3 | -71.2 | 169.1 | 0 | 0 | 0 | 114.8 | M428 D478 Y479 Y480 | M428-L482 HydrophobicContact CE-CD1 4.27Å; D478-L482 VanDerWaalsContact O-CB 3.3Å; D478-L482 WeakPolarHBondContact O-CB 3.39Å; D478-L482 WeakPolarHBondContact O-CD1 3.24Å; D478-L482 WeakPolarHBondContact O-CG 3.49Å; D478-L482 PolarHBondContact O-N 3.08Å; Y479-L482 PolarHBondContact O-N 3.24Å; Y480-L482 PolarHBondContact O-N 2.72Å |
| 483 | N | 82.3 | Confident | 69.8 | Low | 92 Ų | 92 | 68.9 Ų | 68.9 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -102.8 | -21.1 | -174.7 | -69.8 | -84.9 | 0 | 0 | 0 | 113.9 | Y479 Y480 V481 | Y479-N483 WeakPolarHBondContact CD2-ND2 3.49Å; Y479-N483 WeakPolarHBondContact CE2-ND2 3.45Å; Y479-N483 PolarHBondContact O-N 3.36Å; Y479-N483 PolarHBondContact O-ND2 3.18Å; Y480-N483 PolarHBondContact O-N 3.28Å; V481-N483 VanDerWaalsContact C-N 3.33Å; V481-N483 PolarHBondContact O-N 3.49Å |
| 484 | Y | 75.8 | Confident | 68.8 | Low | 156 Ų | 156 | 72.5 Ų | 72.5 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -112.3 | 0.8 | 180 | -66.4 | -91.5 | 0 | 0 | 0 | 113 | Y480 A486 | Y480-Y484 AromaticContact CD2-CD2 3.51Å; Y480-Y484 HydrophobicContact CD2-CD2 3.51Å; Y480-Y484 AromaticContact CD2-CE2 3.85Å; Y480-Y484 HydrophobicContact CD2-CE2 3.85Å; Y480-Y484 HydrophobicContact CD2-CG 4.16Å; Y480-Y484 HydrophobicContact CE2-CD1 4.41Å; Y480-Y484 AromaticContact CE2-CD2 3.64Å; Y480-Y484 HydrophobicContact CE2-CD2 3.64Å; Y480-Y484 HydrophobicContact CE2-CE2 4Å; Y480-Y484 AromaticContact CE2-CG 3.87Å; Y480-Y484 HydrophobicContact CE2-CG 3.87Å; Y480-Y484 HydrophobicContact CG-CD2 4.13Å; Y480-Y484 WeakPolarHBondContact O-CB 3.4Å; Y480-Y484 WeakPolarHBondContact O-CD2 3.38Å; Y480-Y484 PolarHBondContact O-N 3.03Å; Y484-A486 PolarHBondContact O-N 2.91Å |
| 485 | E | 64.6 | Low | 67.7 | Low | 75 Ų | 75 | 75 Ų | 75 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | trans | -66.4 | 106.1 | 156.7 | -84.1 | 177.8 | 176.2 | 0 | 0 | 108.8 | M311 V481 | M311-E485 HydrophobicContact CE-CG 3.78Å; V481-E485 HydrophobicContact CG1-CG 4.12Å; V481-E485 WeakPolarHBondContact CG1-OE1 3.49Å; V481-E485 WeakPolarHBondContact O-CB 3.4Å; V481-E485 WeakPolarHBondContact O-CG 3.24Å; V481-E485 PolarHBondContact O-N 3.5Å | ||
| 486 | A | 41.9 | Very low | 66.4 | Low | 73 Ų | 73 | 79.7 Ų | 79.7 | 60% | 0.603 | 50% | 0.504 | S | S | * | . | trans | -55 | 139.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y484 V488 | Y484-A486 PolarHBondContact O-N 2.91Å; A486-V488 VanDerWaalsContact C-N 3.34Å; A486-V488 PolarHBondContact O-N 3.42Å | ||
| 487 | P | 42.1 | Very low | 65 | Low | 129 Ų | 129 | 80.9 Ų | 80.9 | 84% | 0.838 | 51% | 0.513 | S | S | * | . | trans | -61.6 | 103.1 | 164.3 | 26 | -30.5 | 0 | 0 | 0 | 107 | A489 | P487-A489 VanDerWaalsContact C-N 3.3Å; P487-A489 PolarHBondContact O-N 3.09Å | ||
| 488 | V | 42.5 | Very low | 63.6 | Low | 138 Ų | 138 | 86.6 Ų | 86.6 | 84% | 0.836 | 55% | 0.55 | S | S | * | . | trans | -67.9 | 98.5 | 169.7 | -179.6 | 0 | 0 | 0 | 0 | 106.6 | A486 | A486-V488 VanDerWaalsContact C-N 3.34Å; A486-V488 PolarHBondContact O-N 3.42Å | ||
| 489 | A | 37.2 | Very low | 61.7 | Low | 84 Ų | 84 | 93.3 Ų | 93.3 | 69% | 0.694 | 59% | 0.592 | S | S | * | * | trans | 29.2 | 92.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | P487 | P487-A489 VanDerWaalsContact C-N 3.3Å; P487-A489 PolarHBondContact O-N 3.09Å | ||
| 490 | G | 45.3 | Very low | 59.7 | Low | 91 Ų | 91 | 96.3 Ų | 96.3 | 94% | 0.938 | 62% | 0.623 | S | S | * | * | trans | -94.9 | 90.6 | 139.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 491 | A | 33.9 | Very low | 57.5 | Low | 167 Ų | 167 | 100.5 Ų | 100.5 | 100% | 1.38 | 66% | 0.661 | S | S | * | * | trans | -154.7 | 0 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 491 of 491 residues in 176.2 ms
(Link to these results)