| 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 | 43.3 | Very low | 39.1 | Very low | 247 Ų | 247 | 156.3 Ų | 156.3 | 100% | 1.217 | 87% | 0.866 | S | S | * | * | 0 | 106.1 | 0 | -80.8 | -179.7 | 149.5 | 0 | 0 | 108.6 | |||||
| 2 | S | 40.9 | Very low | 39 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 85% | 0.853 | 87% | 0.865 | S | S | * | * | trans | -74.7 | 132.5 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | R | 47.6 | Very low | 38.9 | Very low | 232 Ų | 232 | 148.1 Ų | 148.1 | 88% | 0.875 | 86% | 0.864 | S | S | * | * | trans | -147.7 | 109.1 | 143.7 | -72.3 | -160.2 | 177.5 | -136.6 | -2.2 | 110.3 | ||||
| 4 | Q | 44.5 | Very low | 39.1 | Very low | 180 Ų | 180 | 153.3 Ų | 153.3 | 84% | 0.841 | 87% | 0.871 | S | S | * | * | trans | -64.3 | 148.6 | 155.6 | -79.1 | 166.1 | -39.5 | 0 | 0 | 109.8 | ||||
| 5 | F | 39.1 | Very low | 38.8 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 85% | 0.851 | 87% | 0.865 | S | S | * | * | trans | -141 | 124.9 | 147 | -104.3 | -79.9 | 0 | 0 | 0 | 109.7 | ||||
| 6 | T | 40.7 | Very low | 38.6 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 71% | 0.712 | 86% | 0.859 | S | S | * | * | trans | -104 | 139.6 | 176.4 | 31.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | C | 32.4 | Very low | 38.3 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 79% | 0.791 | 86% | 0.862 | S | S | * | * | trans | 60.3 | 129.2 | 144.8 | -60 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 8 | K | 35.1 | Very low | 38.1 | Very low | 212 Ų | 212 | 145.2 Ų | 145.2 | 92% | 0.922 | 86% | 0.856 | S | S | * | * | -166.1 | 142.4 | 108.4 | -102.9 | 171.7 | -175.1 | -179.2 | 0 | 113.7 | |||||
| 9 | S | 38.5 | Very low | 37.8 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 87% | 0.874 | 85% | 0.853 | S | S | * | * | trans | -85 | 142.5 | 169.2 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 10 | G | 33.3 | Very low | 37.5 | Very low | 77 Ų | 77 | 140.4 Ų | 140.4 | 79% | 0.794 | 85% | 0.85 | S | S | * | * | trans | -137.9 | 118.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 11 | A | 35 | Very low | 37.2 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 80% | 0.802 | 85% | 0.851 | S | S | * | * | trans | -83.7 | 155.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 12 | A | 37.6 | Very low | 36.8 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | 51.4 | 115.4 | 144.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 13 | A | 37.8 | Very low | 36.4 | Very low | 103 Ų | 103 | 133 Ų | 133 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -137.2 | 114.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 14 | K | 41.8 | Very low | 35.7 | Very low | 221 Ų | 221 | 130.5 Ų | 130.5 | 96% | 0.961 | 83% | 0.832 | S | S | * | * | trans | -68.4 | 136.8 | 160.3 | -83.6 | 174.5 | 169.3 | 176.3 | 0 | 108.4 | ||||
| 15 | G | 35.2 | Very low | 35.2 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | trans | -159.7 | 97.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 16 | G | 34.4 | Very low | 34.9 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | -72.4 | 146.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 17 | F | 33.5 | Very low | 34.5 | Very low | 210 Ų | 210 | 120 Ų | 120 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -129 | 122.5 | 162.1 | -111.9 | -88.4 | 0 | 0 | 0 | 110.2 | ||||
| 18 | S | 35.5 | Very low | 34.5 | Very low | 108 Ų | 108 | 119.9 Ų | 119.9 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | -73.2 | 150.9 | 168.5 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 19 | G | 31.9 | Very low | 34.4 | Very low | 76 Ų | 76 | 115.2 Ų | 115.2 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | trans | -168.8 | 75.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 20 | C | 32.3 | Very low | 34.1 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -69.9 | 142.3 | 161.6 | -67.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 21 | S | 30.8 | Very low | 34.1 | Very low | 124 Ų | 124 | 115.5 Ų | 115.5 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | 156 | 144.5 | 148.2 | -72.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 22 | A | 34.5 | Very low | 34 | Very low | 97 Ų | 97 | 120.3 Ų | 120.3 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | cis | -164.5 | 154.4 | -13.2 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 23 | V | 33.4 | Very low | 33.8 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | -76.3 | 133.7 | 178.3 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 24 | L | 33.1 | Very low | 33.6 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 94% | 0.937 | 82% | 0.824 | S | S | * | * | trans | -140.7 | 126.9 | 148.5 | -76.6 | -179.1 | 0 | 0 | 0 | 110.6 | ||||
| 25 | S | 33.7 | Very low | 33.1 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -87.1 | 146.3 | 173 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 26 | G | 31.7 | Very low | 32.9 | Very low | 76 Ų | 76 | 122.7 Ų | 122.7 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 178.3 | 87.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 27 | G | 32.6 | Very low | 33.1 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | trans | 26.5 | 133.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 28 | S | 32.5 | Very low | 33 | Very low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | 89 | 104.8 | 129 | -58.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 29 | S | 32.8 | Very low | 32.9 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | 42.4 | 120.4 | 129.8 | 60.8 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 30 | S | 31.6 | Very low | 32.9 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | -156.5 | 141.3 | 126.3 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 31 | S | 33.8 | Very low | 33 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 83% | 0.831 | S | S | * | * | trans | -75.8 | 138 | 177.3 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 32 | F | 33.5 | Very low | 33.1 | Very low | 198 Ų | 198 | 124 Ų | 124 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -138.4 | 111.3 | 151.7 | -70.7 | -74.3 | 0 | 0 | 0 | 110.6 | ||||
| 33 | R | 32.7 | Very low | 33.1 | Very low | 250 Ų | 250 | 129.7 Ų | 129.7 | 94% | 0.943 | 83% | 0.83 | S | S | * | * | trans | -87.1 | 133.7 | 156.8 | -78.4 | -177 | 176.2 | -161.8 | -0.5 | 107.5 | ||||
| 34 | A | 33.8 | Very low | 33 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | trans | -137.7 | 126.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 35 | G | 31.9 | Very low | 33 | Very low | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -110.4 | 154.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 36 | S | 30.6 | Very low | 33.2 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -161.8 | 109 | 148.6 | 56.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 37 | K | 38.8 | Very low | 33.2 | Very low | 220 Ų | 220 | 128.4 Ų | 128.4 | 96% | 0.957 | 80% | 0.803 | S | S | * | * | 62.5 | 113.7 | 87.6 | -82.9 | -168.6 | 177.8 | -179.7 | 0 | 115.2 | |||||
| 38 | G | 30.7 | Very low | 33.2 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | 159.3 | 76.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 39 | L | 34.9 | Very low | 33.3 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | 73.3 | 127.4 | 98.4 | -89.6 | 161.4 | 0 | 0 | 0 | 115.4 | |||||
| 40 | S | 31.9 | Very low | 33.2 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | 92.5 | 118.1 | 152.4 | -175.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 41 | G | 33.1 | Very low | 33.5 | Very low | 77 Ų | 77 | 141.4 Ų | 141.4 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 128.8 | 62.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 42 | G | 33.9 | Very low | 33.6 | Very low | 68 Ų | 68 | 140.4 Ų | 140.4 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | trans | -79.4 | 143.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 43 | F | 33.9 | Very low | 33.4 | Very low | 216 Ų | 216 | 134.9 Ų | 134.9 | 95% | 0.947 | 82% | 0.82 | S | S | * | * | trans | -146.9 | 102.7 | 137.6 | -97.9 | -80.3 | 0 | 0 | 0 | 108 | ||||
| 44 | G | 30.7 | Very low | 33.8 | Very low | 60 Ų | 60 | 127.7 Ų | 127.7 | 62% | 0.619 | 82% | 0.815 | S | S | * | * | trans | -78.4 | 172.4 | 148 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 45 | S | 34.9 | Very low | 33.8 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | cis | -168.9 | 152.1 | 29.3 | -60.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 46 | R | 37.1 | Very low | 34.1 | Very low | 235 Ų | 235 | 135.6 Ų | 135.6 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | 166.9 | 116.2 | 85 | -83 | 175.2 | 174.7 | -167.8 | -4.4 | 104.2 | |||||
| 47 | S | 31.4 | Very low | 34.1 | Very low | 79 Ų | 79 | 138 Ų | 138 | 55% | 0.552 | 82% | 0.815 | S | S | * | * | 43 | 115.9 | 84.6 | -168.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 48 | L | 33.7 | Very low | 33.8 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | -176 | 153.9 | 108 | -88 | 177.3 | 0 | 0 | 0 | 111.9 | |||||
| 49 | Y | 34.2 | Very low | 34 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -99.9 | 158.3 | -168.3 | -43.4 | -100.2 | 0 | 0 | 0 | 111.2 | ||||
| 50 | N | 30.7 | Very low | 33.7 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | 158.2 | 115.8 | 142 | -84.3 | -30.9 | 0 | 0 | 0 | 107.7 | ||||
| 51 | L | 38.1 | Very low | 33.8 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | 63.6 | 98.6 | 59.2 | -144.6 | 99 | 0 | 0 | 0 | 114.2 | |||||
| 52 | G | 34.5 | Very low | 33.8 | Very low | 82 Ų | 82 | 136.4 Ų | 136.4 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 83.4 | 121 | 139.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 53 | G | 30.2 | Very low | 33.8 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 158.3 | 102.9 | 158 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 54 | A | 41.7 | Very low | 33.6 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -71.9 | 142.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 55 | R | 32.2 | Very low | 33.7 | Very low | 243 Ų | 243 | 135 Ų | 135 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -174.9 | 141.3 | 137.5 | -104.1 | 169.6 | -175.3 | -170.2 | 1.5 | 112.7 | ||||
| 56 | S | 38.7 | Very low | 33.5 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -58 | 141.9 | 171 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 57 | I | 31.5 | Very low | 33.3 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -142.4 | 111.2 | 156.6 | -58.6 | -178.5 | 0 | 0 | 0 | 109.3 | ||||
| 58 | S | 32.7 | Very low | 33.4 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 71% | 0.713 | 83% | 0.826 | S | S | * | * | trans | -82.6 | 165.9 | 151.3 | 48.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 59 | L | 33.1 | Very low | 33.2 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | trans | 139.1 | 103.9 | 158 | -73.6 | 168.8 | 0 | 0 | 0 | 108.6 | ||||
| 60 | N | 30.6 | Very low | 33.1 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | 89.4 | 103.4 | 84.6 | -79.6 | -7.4 | 0 | 0 | 0 | 112.4 | |||||
| 61 | V | 33.9 | Very low | 33.2 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | trans | -76.2 | 123.1 | 163.2 | 153.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 62 | A | 31.4 | Very low | 32.8 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -79.2 | 123.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 63 | S | 34.2 | Very low | 32.7 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -118.9 | 114.9 | 159.8 | 57.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 64 | G | 30.3 | Very low | 32.7 | Very low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | -96.9 | 122.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 65 | S | 33.6 | Very low | 32.3 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | 54.1 | 117.6 | 136.1 | 56 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 66 | G | 29.5 | Very low | 32.2 | Very low | 82 Ų | 82 | 129.5 Ų | 129.5 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -168.9 | 102.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 67 | K | 34.3 | Very low | 31.9 | Very low | 212 Ų | 212 | 135.6 Ų | 135.6 | 92% | 0.922 | 83% | 0.829 | S | S | * | * | trans | -62.4 | 162.1 | -167.8 | -67.2 | 166.7 | 171.7 | 178.4 | 0 | 118.3 | ||||
| 68 | S | 31.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | 111.8 | 108.2 | 147.9 | -158.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 69 | G | 30.8 | Very low | 31.9 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | 75.6 | 118 | 53.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 70 | G | 32 | Very low | 31.8 | Very low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 83% | 0.833 | S | S | * | * | cis | 175.7 | 161.6 | -0.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 71 | Y | 32.3 | Very low | 31.8 | Very low | 248 Ų | 248 | 133.2 Ų | 133.2 | 97% | 0.973 | 84% | 0.84 | S | S | * | * | trans | 61.8 | 136 | 160.2 | -65.6 | -85.7 | 0 | 0 | 0 | 121.7 | ||||
| 72 | G | 30.2 | Very low | 31.6 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | trans | 157.2 | 95 | 150.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 73 | F | 31.8 | Very low | 31.7 | Very low | 223 Ų | 223 | 129.8 Ų | 129.8 | 98% | 0.978 | 84% | 0.835 | S | S | * | * | trans | -56.1 | 158.8 | 163.2 | -95.3 | -112.3 | 0 | 0 | 0 | 113.4 | ||||
| 74 | G | 30.5 | Very low | 31.6 | Very low | 75 Ų | 75 | 129.9 Ų | 129.9 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | 150.3 | 102.9 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 75 | R | 32.7 | Very low | 31.7 | Very low | 234 Ų | 234 | 135.4 Ų | 135.4 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | trans | -24.6 | 135.5 | 157.5 | -78.3 | 172.7 | 158.4 | -149.7 | -2.9 | 117.3 | ||||
| 76 | G | 29.7 | Very low | 31.5 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | -92.3 | 132.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 77 | R | 33.5 | Very low | 31.6 | Very low | 239 Ų | 239 | 138.5 Ų | 138.5 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | trans | -126.1 | 145 | 158.2 | -108.1 | -167.8 | 177.4 | -171.3 | -0.9 | 108.8 | ||||
| 78 | A | 31.8 | Very low | 31.5 | Very low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -74.8 | 150.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 79 | S | 32.2 | Very low | 31.5 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | -60.6 | 150 | 169.1 | 170.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 80 | G | 30.4 | Very low | 31.4 | Very low | 64 Ų | 64 | 134.8 Ų | 134.8 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | trans | 171.1 | 90.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 81 | F | 30.3 | Very low | 31.5 | Very low | 213 Ų | 213 | 140.1 Ų | 140.1 | 93% | 0.934 | 84% | 0.843 | S | S | * | * | trans | -155.2 | 134.8 | 143.3 | -135.9 | -96.7 | 0 | 0 | 0 | 111.8 | ||||
| 82 | A | 30.8 | Very low | 31.5 | Very low | 91 Ų | 91 | 131.7 Ų | 131.7 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | -96.5 | 163.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 83 | G | 32.2 | Very low | 32.3 | Very low | 83 Ų | 83 | 134 Ų | 134 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | 118.9 | 93.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 84 | S | 33.2 | Very low | 32.4 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | trans | -77.2 | 145.9 | 167.6 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 85 | M | 33 | Very low | 32.5 | Very low | 183 Ų | 183 | 132.3 Ų | 132.3 | 90% | 0.901 | 83% | 0.829 | S | S | * | * | trans | -175.5 | 104.1 | 138.6 | -88.3 | -134.2 | -166.4 | 0 | 0 | 110.6 | ||||
| 86 | F | 29.1 | Very low | 33 | Very low | 199 Ų | 199 | 126.5 Ų | 126.5 | 87% | 0.873 | 82% | 0.821 | S | S | * | * | trans | -171.3 | 102.4 | 133.3 | -126.8 | -95.1 | 0 | 0 | 0 | 109 | ||||
| 87 | G | 30.7 | Very low | 33.2 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | -107.5 | 124.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 88 | S | 31.6 | Very low | 33.3 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | trans | -101.7 | 151.9 | 168.6 | -68.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 89 | V | 33.1 | Very low | 33.5 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | trans | 66.9 | 123 | 149.8 | -76.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 90 | A | 28.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 124.2 Ų | 124.2 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | trans | 174.1 | 147.1 | 132.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 91 | L | 34.9 | Very low | 35 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | cis | -175.4 | 146 | 0.4 | -101.6 | 164.6 | 0 | 0 | 0 | 106.1 | ||||
| 92 | G | 31.7 | Very low | 35.3 | Very low | 72 Ų | 72 | 121.2 Ų | 121.2 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 96 | 157.6 | 141.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 93 | P | 46 | Very low | 35.6 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | -128.9 | 146.1 | -124.9 | 36.7 | -21.4 | 0 | 0 | 0 | 115.2 | |||||
| 94 | V | 34.5 | Very low | 36.1 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -150.6 | 122.1 | 157.8 | -175 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 95 | C | 33.3 | Very low | 36.3 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -92.7 | 155.3 | 158.6 | -80 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 96 | P | 42.7 | Very low | 36.7 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | cis | -151 | 168.3 | 47.6 | 40.7 | -19.1 | 0 | 0 | 0 | 118.2 | ||||
| 97 | T | 33.6 | Very low | 37.4 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | 58.3 | 117.2 | 147.8 | -50.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 98 | V | 35.5 | Very low | 38 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | -167.1 | 128.1 | 122 | 164.2 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 99 | C | 34.9 | Very low | 39 | Very low | 115 Ų | 115 | 127 Ų | 127 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -74 | 163.4 | 174.2 | -82.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 100 | P | 51.8 | Low | 39.5 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -95.2 | 165.3 | -163.3 | 38.3 | -33.8 | 0 | 0 | 0 | 113.9 | ||||
| 101 | P | 42.4 | Very low | 40.9 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -126.1 | 115.9 | 149 | 27.1 | -9.9 | 0 | 0 | 0 | 110 | ||||
| 102 | G | 36.6 | Very low | 42 | Very low | 85 Ų | 85 | 126.6 Ų | 126.6 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | 98.4 | 135.7 | 92.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 103 | G | 37.3 | Very low | 42.8 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -163.1 | 157.4 | 8.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 104 | I | 42.5 | Very low | 43 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -86.1 | 131.5 | 178.2 | -66.2 | 165.5 | 0 | 0 | 0 | 108.2 | Q106 | I104-Q106 PolarHBondContact O-N 3.13Š| ||
| 105 | H | 38.7 | Very low | 43.4 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -72 | 113.7 | 168 | -89.9 | 67.8 | 0 | 0 | 0 | 109.8 | V107 | H105-V107 PolarHBondContact O-N 2.84Š| ||
| 106 | Q | 40.3 | Very low | 44.1 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -72.8 | 107.3 | 170.9 | -176.1 | 175.4 | 14.6 | 0 | 0 | 109.2 | I104 | I104-Q106 PolarHBondContact O-N 3.13Š| ||
| 107 | V | 44.2 | Very low | 43.9 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -91.5 | 111.1 | 166.5 | 177 | 0 | 0 | 0 | 0 | 107.7 | H105 V109 | H105-V107 PolarHBondContact O-N 2.84Å; V107-V109 PolarHBondContact O-N 3.47Å; V107-V109 VanDerWaalsContact O-N 3.16Å | ||
| 108 | T | 44.3 | Very low | 44.4 | Very low | 129 Ų | 129 | 133 Ų | 133 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -63.3 | 104.3 | 174.7 | -42.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 109 | V | 52.1 | Low | 45.1 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -97.8 | 123.7 | 169.2 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | V107 E111 | V107-V109 PolarHBondContact O-N 3.47Å; V107-V109 VanDerWaalsContact O-N 3.16Å; V109-E111 PolarHBondContact O-N 2.77Å | ||
| 110 | N | 42.8 | Very low | 45.7 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | trans | -52.5 | 120.9 | -178.3 | -128.9 | -77.6 | 0 | 0 | 0 | 111.8 | S112 | N110-S112 PolarHBondContact O-N 3.35Å; N110-S112 PolarHBondContact OD1-OG 2.98Å | ||
| 111 | E | 58.2 | Low | 45.7 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 14 | 175.8 | -77.2 | -167.9 | 146.5 | 0 | 0 | 114.3 | V109 | V109-E111 PolarHBondContact O-N 2.77Š|
| 112 | S | 57.9 | Low | 46.2 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 5.4 | -174.2 | -39.6 | 0 | 0 | 0 | 0 | 114.4 | N110 | N110-S112 PolarHBondContact O-N 3.35Å; N110-S112 PolarHBondContact OD1-OG 2.98Å |
| 113 | L | 49.1 | Very low | 47.5 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -131.8 | 14.9 | -172.9 | -67.4 | 175.6 | 0 | 0 | 0 | 115.4 | ||
| 114 | L | 51.3 | Low | 48.7 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | trans | -112.2 | 51 | 174.3 | -67.7 | 174 | 0 | 0 | 0 | 111.9 | P116 | L114-P116 WeakPolarHBondContact O-CD 3.43Š| ||
| 115 | A | 42.1 | Very low | 49.7 | Very low | 84 Ų | 84 | 131 Ų | 131 | 69% | 0.694 | 72% | 0.715 | S | S | * | * | trans | -76.8 | 121.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | L117 | A115-L117 PolarHBondContact O-N 3.35Š| ||
| 116 | P | 46.8 | Very low | 50.9 | Low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 70% | 0.704 | S | S | * | * | trans | -62.9 | 109 | 171.7 | -16.6 | 29.6 | 0 | 0 | 0 | 108.8 | L114 N118 | L114-P116 WeakPolarHBondContact O-CD 3.43Å; P116-N118 PolarHBondContact O-N 2.94Å | ||
| 117 | L | 38.6 | Very low | 52.4 | Low | 162 Ų | 162 | 127.5 Ų | 127.5 | 85% | 0.848 | 70% | 0.696 | S | S | * | * | trans | -65 | 100.7 | 163.7 | -84.1 | 156.6 | 0 | 0 | 0 | 107.2 | A115 V119 | A115-L117 PolarHBondContact O-N 3.35Å; L117-V119 PolarHBondContact O-N 2.84Å | ||
| 118 | N | 44.3 | Very low | 53.8 | Low | 159 Ų | 159 | 125.2 Ų | 125.2 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | trans | -64.2 | 85.9 | 163.5 | -88.7 | -33.6 | 0 | 0 | 0 | 108.1 | P116 E120 | P116-N118 PolarHBondContact O-N 2.94Å; N118-E120 PolarHBondContact O-N 3.06Å | ||
| 119 | V | 51.1 | Low | 55.2 | Low | 103 Ų | 103 | 125.5 Ų | 125.5 | 62% | 0.624 | 67% | 0.669 | S | S | * | * | trans | -80.4 | 107.8 | 154.4 | -172.9 | 0 | 0 | 0 | 0 | 104.3 | L117 L121 | L117-V119 PolarHBondContact O-N 2.84Å; V119-L121 HydrophobicContact CG1-CD2 4.36Å; V119-L121 HydrophobicContact CG1-CG 4.26Å; V119-L121 PolarHBondContact O-N 2.77Å | ||
| 120 | E | 47.9 | Very low | 56.3 | Low | 195 Ų | 195 | 122.4 Ų | 122.4 | 91% | 0.911 | 66% | 0.656 | S | S | * | * | trans | -56 | 90.1 | 164.1 | -74.9 | 178.8 | 159.2 | 0 | 0 | 107.5 | N118 | N118-E120 PolarHBondContact O-N 3.06Š| ||
| 121 | L | 51.2 | Low | 58 | Low | 91 Ų | 91 | 122.5 Ų | 122.5 | 48% | 0.476 | 65% | 0.653 | S | S | . | * | trans | -81.2 | 119.4 | 168.1 | -74.4 | 167 | 0 | 0 | 0 | 105.9 | V119 | V119-L121 HydrophobicContact CG1-CD2 4.36Å; V119-L121 HydrophobicContact CG1-CG 4.26Å; V119-L121 PolarHBondContact O-N 2.77Å | ||
| 122 | D | 52.6 | Low | 59 | Low | 86 Ų | 86 | 118 Ų | 118 | 46% | 0.46 | 63% | 0.632 | S | S | . | * | trans | -33.5 | 122.6 | 178 | -159.8 | -10.5 | 0 | 0 | 0 | 112.8 | E124 I125 | D122-E124 PolarHBondContact O-N 3.13Å; D122-I125 HydrophobicContact CB-CD1 3.82Å; D122-I125 HydrophobicContact CB-CG1 4.04Å; D122-I125 PolarHBondContact O-N 3.35Å | ||
| 123 | P | 63.9 | Low | 60.1 | Low | 94 Ų | 94 | 121.5 Ų | 121.5 | 61% | 0.61 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -58.8 | -15.1 | -176.2 | 20.4 | -32.8 | 0 | 0 | 0 | 114.4 | ||
| 124 | E | 62.4 | Low | 61.6 | Low | 143 Ų | 143 | 121 Ų | 121 | 67% | 0.668 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -75.3 | -38.2 | 171 | -71.8 | -172.8 | 156.3 | 0 | 0 | 113 | D122 Q126 K127 V128 | D122-E124 PolarHBondContact O-N 3.13Å; E124-Q126 VanDerWaalsContact C-N 3.3Å; E124-Q126 PolarHBondContact O-N 2.95Å; E124-K127 PolarHBondContact O-N 3.46Å; E124-V128 WeakPolarHBondContact O-CG2 3.44Å; E124-V128 PolarHBondContact O-N 3.18Å |
| 125 | I | 63.4 | Low | 63 | Low | 77 Ų | 77 | 118.9 Ų | 118.9 | 40% | 0.395 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.4 | -32.8 | -178.6 | -64.4 | 172.8 | 0 | 0 | 0 | 111.2 | D122 R129 | D122-I125 HydrophobicContact CB-CD1 3.82Å; D122-I125 HydrophobicContact CB-CG1 4.04Å; D122-I125 PolarHBondContact O-N 3.35Å; I125-R129 WeakPolarHBondContact O-CG 3.32Å; I125-R129 PolarHBondContact O-N 2.92Å |
| 126 | Q | 64.6 | Low | 64.8 | Low | 128 Ų | 128 | 119.8 Ų | 119.8 | 60% | 0.598 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -76.8 | -32.9 | -179 | -147.2 | 151.2 | 15.2 | 0 | 0 | 112.4 | E124 A130 | E124-Q126 VanDerWaalsContact C-N 3.3Å; E124-Q126 PolarHBondContact O-N 2.95Å; Q126-A130 WeakPolarHBondContact O-CB 3.49Å; Q126-A130 PolarHBondContact O-N 3.27Å |
| 127 | K | 70.6 | Confident | 66.6 | Low | 156 Ų | 156 | 120.9 Ų | 120.9 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67 | -43.7 | 169.9 | -74.3 | 179 | -179.5 | 175 | 0 | 111.4 | E124 A130 Q131 | E124-K127 PolarHBondContact O-N 3.46Å; K127-A130 PolarHBondContact O-N 2.9Å; K127-Q131 WeakPolarHBondContact O-CB 3.36Å; K127-Q131 PolarHBondContact O-N 3.29Å |
| 128 | V | 74.8 | Confident | 68.7 | Low | 72 Ų | 72 | 115.4 Ų | 115.4 | 44% | 0.436 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.1 | -46.2 | 176 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | E124 A130 Q131 E132 | E124-V128 WeakPolarHBondContact O-CG2 3.44Å; E124-V128 PolarHBondContact O-N 3.18Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 3.27Å; V128-Q131 PolarHBondContact O-N 2.88Å; V128-E132 HydrophobicContact CG1-CG 4.32Å; V128-E132 WeakPolarHBondContact O-CB 3.49Å; V128-E132 WeakPolarHBondContact O-CG 3.39Å; V128-E132 PolarHBondContact O-N 3.33Å |
| 129 | R | 74.3 | Confident | 70.7 | Confident | 135 Ų | 135 | 112.2 Ų | 112.2 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.8 | -32.5 | 176 | -75.1 | -159.7 | -151.8 | -177.2 | 9 | 113.9 | I125 R133 | I125-R129 WeakPolarHBondContact O-CG 3.32Å; I125-R129 PolarHBondContact O-N 2.92Å; R129-R133 WeakPolarHBondContact O-CB 3.43Å; R129-R133 WeakPolarHBondContact O-CG 3.16Å; R129-R133 PolarHBondContact O-N 3.44Å |
| 130 | A | 74.8 | Confident | 72.4 | Confident | 53 Ų | 53 | 112 Ų | 112 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.6 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q126 K127 V128 R133 E134 | Q126-A130 WeakPolarHBondContact O-CB 3.49Å; Q126-A130 PolarHBondContact O-N 3.27Å; K127-A130 PolarHBondContact O-N 2.9Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 3.27Å; A130-R133 PolarHBondContact O-N 3.44Å; A130-E134 PolarHBondContact O-N 2.86Å |
| 131 | Q | 78.6 | Confident | 74.2 | Confident | 117 Ų | 117 | 108.3 Ų | 108.3 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 175.7 | -170.7 | 175.3 | -4 | 0 | 0 | 112.1 | K127 V128 E134 Q135 | K127-Q131 WeakPolarHBondContact O-CB 3.36Å; K127-Q131 PolarHBondContact O-N 3.29Å; V128-Q131 PolarHBondContact O-N 2.88Å; Q131-E134 PolarHBondContact O-N 3.48Å; Q131-Q135 WeakPolarHBondContact O-CG 3.41Å; Q131-Q135 PolarHBondContact O-N 2.92Å |
| 132 | E | 78.8 | Confident | 76 | Confident | 101 Ų | 101 | 110 Ų | 110 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 172.7 | -76.7 | 178.7 | 164.7 | 0 | 0 | 111.8 | V128 E134 Q135 I136 | V128-E132 HydrophobicContact CG1-CG 4.32Å; V128-E132 WeakPolarHBondContact O-CB 3.49Å; V128-E132 WeakPolarHBondContact O-CG 3.39Å; V128-E132 PolarHBondContact O-N 3.33Å; E132-E134 VanDerWaalsContact C-N 3.28Å; E132-E134 PolarHBondContact O-N 2.91Å; E132-Q135 PolarHBondContact O-N 2.86Å; E132-I136 WeakPolarHBondContact O-CB 3.14Å; E132-I136 WeakPolarHBondContact O-CG1 3.3Å; E132-I136 PolarHBondContact O-N 3.48Å |
| 133 | R | 80.4 | Confident | 77.7 | Confident | 165 Ų | 165 | 111.4 Ų | 111.4 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.4 | -37.2 | 173.9 | -83.7 | -178.5 | -176.7 | 145.8 | -1.5 | 112.2 | R129 A130 K137 | R129-R133 WeakPolarHBondContact O-CB 3.43Å; R129-R133 WeakPolarHBondContact O-CG 3.16Å; R129-R133 PolarHBondContact O-N 3.44Å; A130-R133 PolarHBondContact O-N 3.44Å; R133-K137 WeakPolarHBondContact O-CB 3.26Å; R133-K137 VanDerWaalsContact O-CG 3.25Å; R133-K137 WeakPolarHBondContact O-CG 3.48Å; R133-K137 PolarHBondContact O-N 3.01Å |
| 134 | E | 80.7 | Confident | 78.8 | Confident | 142 Ų | 142 | 109 Ų | 109 | 66% | 0.664 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.6 | -37.5 | 178.2 | -164.1 | 155 | -146.7 | 0 | 0 | 111.8 | A130 Q131 E132 K137 A138 | A130-E134 PolarHBondContact O-N 2.86Å; Q131-E134 PolarHBondContact O-N 3.48Å; E132-E134 VanDerWaalsContact C-N 3.28Å; E132-E134 PolarHBondContact O-N 2.91Å; E134-K137 PolarHBondContact O-N 3.47Å; E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 3.43Å |
| 135 | Q | 80.6 | Confident | 80 | Confident | 116 Ų | 116 | 105.2 Ų | 105.2 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 169.8 | -73.5 | 179.4 | -1 | 0 | 0 | 112.1 | Q131 E132 K137 A138 L139 | Q131-Q135 WeakPolarHBondContact O-CG 3.41Å; Q131-Q135 PolarHBondContact O-N 2.92Å; E132-Q135 PolarHBondContact O-N 2.86Å; Q135-K137 VanDerWaalsContact C-N 3.32Å; Q135-K137 PolarHBondContact O-N 3.4Å; Q135-A138 PolarHBondContact O-N 2.92Å; Q135-L139 VanDerWaalsContact O-CB 3.27Å; Q135-L139 WeakPolarHBondContact O-CB 3.3Å; Q135-L139 PolarHBondContact O-N 3.23Å |
| 136 | I | 81.2 | Confident | 81.4 | Confident | 103 Ų | 103 | 107.8 Ų | 107.8 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 175.2 | -70.2 | 166.1 | 0 | 0 | 0 | 110.2 | E132 L139 N140 | E132-I136 WeakPolarHBondContact O-CB 3.14Å; E132-I136 WeakPolarHBondContact O-CG1 3.3Å; E132-I136 PolarHBondContact O-N 3.48Å; I136-L139 PolarHBondContact O-N 3.33Å; I136-N140 VanDerWaalsContact O-CB 3.3Å; I136-N140 WeakPolarHBondContact O-CB 3.28Å; I136-N140 PolarHBondContact O-N 2.84Å |
| 137 | K | 82.9 | Confident | 82.6 | Confident | 140 Ų | 140 | 106 Ų | 106 | 61% | 0.609 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.9 | -44.8 | 173.3 | -78.9 | 175.2 | -179.4 | -177.5 | 0 | 112.1 | R133 E134 Q135 L139 N140 N141 | R133-K137 WeakPolarHBondContact O-CB 3.26Å; R133-K137 VanDerWaalsContact O-CG 3.25Å; R133-K137 WeakPolarHBondContact O-CG 3.48Å; R133-K137 PolarHBondContact O-N 3.01Å; E134-K137 PolarHBondContact O-N 3.47Å; Q135-K137 VanDerWaalsContact C-N 3.32Å; Q135-K137 PolarHBondContact O-N 3.4Å; K137-L139 VanDerWaalsContact C-N 3.29Å; K137-L139 PolarHBondContact O-N 2.91Å; K137-N140 PolarHBondContact O-N 3.32Å; K137-N141 WeakPolarHBondContact O-CB 3.15Å; K137-N141 PolarHBondContact O-N 3.48Å; K137-N141 PolarHBondContact O-ND2 3.43Å |
| 138 | A | 83.9 | Confident | 83.5 | Confident | 47 Ų | 47 | 103.5 Ų | 103.5 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E134 Q135 K142 | E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 3.43Å; Q135-A138 PolarHBondContact O-N 2.92Å; A138-K142 WeakPolarHBondContact O-CG 3.36Å; A138-K142 PolarHBondContact O-N 3.37Å |
| 139 | L | 85.9 | Confident | 84.4 | Confident | 93 Ų | 93 | 105.2 Ų | 105.2 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 174.8 | -165.5 | 72.5 | 0 | 0 | 0 | 111.5 | Q135 I136 K137 K142 F143 | Q135-L139 VanDerWaalsContact O-CB 3.27Å; Q135-L139 WeakPolarHBondContact O-CB 3.3Å; Q135-L139 PolarHBondContact O-N 3.23Å; I136-L139 PolarHBondContact O-N 3.33Å; K137-L139 VanDerWaalsContact C-N 3.29Å; K137-L139 PolarHBondContact O-N 2.91Å; L139-K142 CarbonylContact O-C 3.59Å; L139-K142 WeakPolarHBondContact O-CB 3.27Å; L139-K142 PolarHBondContact O-N 3.17Å; L139-F143 HydrophobicContact CD1-CE2 4.22Å; L139-F143 HydrophobicContact CD2-CD2 4.48Å; L139-F143 HydrophobicContact CD2-CE2 3.72Å; L139-F143 HydrophobicContact CG-CD2 3.94Å; L139-F143 HydrophobicContact CG-CE2 3.54Å; L139-F143 HydrophobicContact CG-CZ 4.42Å; L139-F143 WeakPolarHBondContact O-CD2 3.47Å; L139-F143 PolarHBondContact O-N 3.45Å |
| 140 | N | 86.7 | Confident | 85.3 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 174.5 | -119.8 | -58.7 | 0 | 0 | 0 | 111.8 | I136 K137 K142 F143 A144 | I136-N140 VanDerWaalsContact O-CB 3.3Å; I136-N140 WeakPolarHBondContact O-CB 3.28Å; I136-N140 PolarHBondContact O-N 2.84Å; K137-N140 PolarHBondContact O-N 3.32Å; N140-K142 VanDerWaalsContact C-N 3.28Å; N140-K142 PolarHBondContact O-N 3.49Å; N140-F143 CarbonylContact O-C 3.52Å; N140-F143 PolarHBondContact O-N 2.91Å; N140-F143 VanDerWaalsContact O-N 3.16Å; N140-A144 WeakPolarHBondContact O-CB 3.45Å; N140-A144 PolarHBondContact O-N 2.94Å |
| 141 | N | 87 | Confident | 86 | Confident | 117 Ų | 117 | 107.8 Ų | 107.8 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -37.3 | 175.1 | -70.6 | -13.3 | 0 | 0 | 0 | 111.3 | K137 S145 | K137-N141 WeakPolarHBondContact O-CB 3.15Å; K137-N141 PolarHBondContact O-N 3.48Å; K137-N141 PolarHBondContact O-ND2 3.43Å; N141-S145 PolarHBondContact O-N 3.38Å |
| 142 | K | 88.4 | Confident | 86.7 | Confident | 126 Ų | 126 | 107 Ų | 107 | 55% | 0.548 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 171.3 | -73.3 | 174.6 | -177.6 | -178.3 | 0 | 111.5 | A138 L139 N140 S145 F146 | A138-K142 WeakPolarHBondContact O-CG 3.36Å; A138-K142 PolarHBondContact O-N 3.37Å; L139-K142 CarbonylContact O-C 3.59Å; L139-K142 WeakPolarHBondContact O-CB 3.27Å; L139-K142 PolarHBondContact O-N 3.17Å; N140-K142 VanDerWaalsContact C-N 3.28Å; N140-K142 PolarHBondContact O-N 3.49Å; K142-S145 PolarHBondContact O-N 2.94Å; K142-S145 PolarHBondContact O-OG 3.39Å; K142-F146 HydrophobicContact CB-CE2 4.5Å; K142-F146 WeakPolarHBondContact O-CD2 3.07Å; K142-F146 PolarHBondContact O-N 2.92Å |
| 143 | F | 88.9 | Confident | 87.4 | Confident | 115 Ų | 115 | 105.9 Ų | 105.9 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 175.5 | -77.7 | -58.4 | 0 | 0 | 0 | 112.6 | L139 N140 S145 F146 I147 | L139-F143 HydrophobicContact CD1-CE2 4.22Å; L139-F143 HydrophobicContact CD2-CD2 4.48Å; L139-F143 HydrophobicContact CD2-CE2 3.72Å; L139-F143 HydrophobicContact CG-CD2 3.94Å; L139-F143 HydrophobicContact CG-CE2 3.54Å; L139-F143 HydrophobicContact CG-CZ 4.42Å; L139-F143 WeakPolarHBondContact O-CD2 3.47Å; L139-F143 PolarHBondContact O-N 3.45Å; N140-F143 CarbonylContact O-C 3.52Å; N140-F143 PolarHBondContact O-N 2.91Å; N140-F143 VanDerWaalsContact O-N 3.16Å; F143-S145 VanDerWaalsContact C-N 3.32Å; F143-S145 PolarHBondContact O-N 3.01Å; F143-F146 PolarHBondContact O-N 2.9Å; F143-F146 VanDerWaalsContact O-N 3.17Å; F143-I147 WeakPolarHBondContact O-CB 3.31Å; F143-I147 VanDerWaalsContact O-CG1 3.25Å; F143-I147 WeakPolarHBondContact O-CG1 3.36Å; F143-I147 PolarHBondContact O-N 2.7Å |
| 144 | A | 85.8 | Confident | 87.9 | Confident | 45 Ų | 45 | 103.6 Ų | 103.6 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | N140 F146 I147 D148 | N140-A144 WeakPolarHBondContact O-CB 3.45Å; N140-A144 PolarHBondContact O-N 2.94Å; A144-F146 VanDerWaalsContact C-N 3.32Å; A144-F146 PolarHBondContact O-N 2.87Å; A144-I147 PolarHBondContact O-N 3.37Å; A144-D148 PolarHBondContact O-N 3.46Å |
| 145 | S | 88.1 | Confident | 88.4 | Confident | 63 Ų | 63 | 103 Ų | 103 | 44% | 0.441 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -34.1 | 176.3 | 76.1 | 0 | 0 | 0 | 0 | 113.7 | N141 K142 F143 K149 | N141-S145 PolarHBondContact O-N 3.38Å; K142-S145 PolarHBondContact O-N 2.94Å; K142-S145 PolarHBondContact O-OG 3.39Å; F143-S145 VanDerWaalsContact C-N 3.32Å; F143-S145 PolarHBondContact O-N 3.01Å; S145-K149 WeakPolarHBondContact O-CB 3.44Å; S145-K149 PolarHBondContact O-N 2.9Å |
| 146 | F | 92.4 | Very high | 89.1 | Confident | 130 Ų | 130 | 101.7 Ų | 101.7 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72.2 | -39.5 | 174.1 | -76.2 | -57.4 | 0 | 0 | 0 | 112.1 | K142 F143 A144 D148 K149 V150 | K142-F146 HydrophobicContact CB-CE2 4.5Å; K142-F146 WeakPolarHBondContact O-CD2 3.07Å; K142-F146 PolarHBondContact O-N 2.92Å; F143-F146 PolarHBondContact O-N 2.9Å; F143-F146 VanDerWaalsContact O-N 3.17Å; A144-F146 VanDerWaalsContact C-N 3.32Å; A144-F146 PolarHBondContact O-N 2.87Å; F146-D148 VanDerWaalsContact C-N 3.33Å; F146-K149 PolarHBondContact O-N 3.28Å; F146-V150 WeakPolarHBondContact O-CG2 3.33Å; F146-V150 PolarHBondContact O-N 3.33Å |
| 147 | I | 89.4 | Confident | 89.6 | Confident | 92 Ų | 92 | 101.6 Ų | 101.6 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 174.6 | -69.9 | 165.6 | 0 | 0 | 0 | 110 | F143 A144 K149 V150 R151 | F143-I147 WeakPolarHBondContact O-CB 3.31Å; F143-I147 VanDerWaalsContact O-CG1 3.25Å; F143-I147 WeakPolarHBondContact O-CG1 3.36Å; F143-I147 PolarHBondContact O-N 2.7Å; A144-I147 PolarHBondContact O-N 3.37Å; I147-K149 VanDerWaalsContact C-N 3.3Å; I147-K149 PolarHBondContact O-N 3.36Å; I147-V150 PolarHBondContact O-N 2.9Å; I147-R151 WeakPolarHBondContact O-CG 3.33Å; I147-R151 PolarHBondContact O-N 3.47Å |
| 148 | D | 90.7 | Very high | 90.1 | Very high | 103 Ų | 103 | 101.1 Ų | 101.1 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -38.2 | 175.8 | -69.8 | -24.2 | 0 | 0 | 0 | 111.6 | A144 F146 F152 | A144-D148 PolarHBondContact O-N 3.46Å; F146-D148 VanDerWaalsContact C-N 3.33Å; D148-F152 WeakPolarHBondContact O-CB 3.46Å; D148-F152 PolarHBondContact O-N 3.32Å |
| 149 | K | 93.1 | Very high | 90.6 | Very high | 107 Ų | 107 | 102.1 Ų | 102.1 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 176.4 | -173.5 | 59.9 | 179.3 | -179.5 | 0 | 112.6 | S145 F146 I147 F152 L153 | S145-K149 WeakPolarHBondContact O-CB 3.44Å; S145-K149 PolarHBondContact O-N 2.9Å; F146-K149 PolarHBondContact O-N 3.28Å; I147-K149 VanDerWaalsContact C-N 3.3Å; I147-K149 PolarHBondContact O-N 3.36Å; K149-F152 PolarHBondContact O-N 2.64Å; K149-L153 HydrophobicContact CG-CD1 4.31Å; K149-L153 WeakPolarHBondContact O-CG 3.28Å; K149-L153 PolarHBondContact O-N 3.34Å |
| 150 | V | 92.7 | Very high | 90.9 | Very high | 77 Ų | 77 | 102.5 Ų | 102.5 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 175.6 | 171 | 0 | 0 | 0 | 0 | 110.1 | F146 I147 F152 L153 E154 | F146-V150 WeakPolarHBondContact O-CG2 3.33Å; F146-V150 PolarHBondContact O-N 3.33Å; I147-V150 PolarHBondContact O-N 2.9Å; V150-F152 VanDerWaalsContact C-N 3.32Å; V150-F152 PolarHBondContact O-N 2.87Å; V150-L153 CarbonylContact O-C 3.59Å; V150-L153 PolarHBondContact O-N 2.92Å; V150-L153 VanDerWaalsContact O-N 3.1Å; V150-E154 HydrophobicContact CG1-CG 4.29Å; V150-E154 WeakPolarHBondContact O-CG 3.19Å; V150-E154 PolarHBondContact O-N 3.25Å |
| 151 | R | 89.9 | Confident | 91.1 | Very high | 166 Ų | 166 | 103.7 Ų | 103.7 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.8 | -42.4 | 175.2 | -76.3 | -178.7 | 176.7 | -162.7 | -0.7 | 112.6 | I147 L153 E154 Q155 | I147-R151 WeakPolarHBondContact O-CG 3.33Å; I147-R151 PolarHBondContact O-N 3.47Å; R151-L153 VanDerWaalsContact C-N 3.34Å; R151-L153 PolarHBondContact O-N 2.96Å; R151-E154 PolarHBondContact O-N 3.48Å; R151-Q155 WeakPolarHBondContact O-CB 3.44Å; R151-Q155 PolarHBondContact O-N 2.88Å |
| 152 | F | 93.7 | Very high | 91.3 | Very high | 101 Ų | 101 | 101.3 Ų | 101.3 | 44% | 0.443 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 175.9 | 179.7 | -100.9 | 0 | 0 | 0 | 112.1 | D148 K149 V150 Q156 | D148-F152 WeakPolarHBondContact O-CB 3.46Å; D148-F152 PolarHBondContact O-N 3.32Å; K149-F152 PolarHBondContact O-N 2.64Å; V150-F152 VanDerWaalsContact C-N 3.32Å; V150-F152 PolarHBondContact O-N 2.87Å; F152-Q156 HydrophobicContact CE1-CG 4.29Å; F152-Q156 HydrophobicContact CZ-CG 4.42Å; F152-Q156 WeakPolarHBondContact O-CG 3.42Å; F152-Q156 PolarHBondContact O-N 3.24Å |
| 153 | L | 92.3 | Very high | 91.4 | Very high | 77 Ų | 77 | 101.1 Ų | 101.1 | 40% | 0.403 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.9 | -39.1 | 176.2 | -72.6 | 171.5 | 0 | 0 | 0 | 112.5 | K149 V150 R151 Q155 Q156 N157 | K149-L153 HydrophobicContact CG-CD1 4.31Å; K149-L153 WeakPolarHBondContact O-CG 3.28Å; K149-L153 PolarHBondContact O-N 3.34Å; V150-L153 CarbonylContact O-C 3.59Å; V150-L153 PolarHBondContact O-N 2.92Å; V150-L153 VanDerWaalsContact O-N 3.1Å; R151-L153 VanDerWaalsContact C-N 3.34Å; R151-L153 PolarHBondContact O-N 2.96Å; L153-Q155 VanDerWaalsContact C-N 3.35Å; L153-Q156 PolarHBondContact O-N 3.44Å; L153-N157 WeakPolarHBondContact O-CB 3.42Å; L153-N157 PolarHBondContact O-N 3.4Å |
| 154 | E | 91.1 | Very high | 91.3 | Very high | 116 Ų | 116 | 103.9 Ų | 103.9 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 173.2 | -75.4 | 172.7 | 163 | 0 | 0 | 111 | V150 R151 Q156 N157 Q158 | V150-E154 HydrophobicContact CG1-CG 4.29Å; V150-E154 WeakPolarHBondContact O-CG 3.19Å; V150-E154 PolarHBondContact O-N 3.25Å; R151-E154 PolarHBondContact O-N 3.48Å; E154-Q156 VanDerWaalsContact C-N 3.33Å; E154-Q156 PolarHBondContact O-N 2.93Å; E154-N157 PolarHBondContact O-N 2.63Å; E154-Q158 WeakPolarHBondContact O-CB 3.2Å; E154-Q158 PolarHBondContact O-N 3.4Å |
| 155 | Q | 92.4 | Very high | 91.4 | Very high | 131 Ų | 131 | 106.6 Ų | 106.6 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -38 | 177.2 | -161.4 | 174 | 18.7 | 0 | 0 | 111.7 | R151 L153 V159 | R151-Q155 WeakPolarHBondContact O-CB 3.44Å; R151-Q155 PolarHBondContact O-N 2.88Å; L153-Q155 VanDerWaalsContact C-N 3.35Å; Q155-V159 WeakPolarHBondContact O-CG2 3.09Å; Q155-V159 PolarHBondContact O-N 2.88Å; Q155-V159 VanDerWaalsContact O-N 3.1Å |
| 156 | Q | 94.2 | Very high | 91.3 | Very high | 87 Ų | 87 | 108.9 Ų | 108.9 | 41% | 0.407 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 172.2 | -78 | -166.9 | -0.3 | 0 | 0 | 112.5 | F152 L153 E154 Q158 V159 L160 | F152-Q156 HydrophobicContact CE1-CG 4.29Å; F152-Q156 HydrophobicContact CZ-CG 4.42Å; F152-Q156 WeakPolarHBondContact O-CG 3.42Å; F152-Q156 PolarHBondContact O-N 3.24Å; L153-Q156 PolarHBondContact O-N 3.44Å; E154-Q156 VanDerWaalsContact C-N 3.33Å; E154-Q156 PolarHBondContact O-N 2.93Å; Q156-Q158 VanDerWaalsContact C-N 3.32Å; Q156-Q158 PolarHBondContact O-N 3.46Å; Q156-V159 PolarHBondContact O-N 3.34Å; Q156-L160 WeakPolarHBondContact O-CG 3.4Å; Q156-L160 PolarHBondContact O-N 2.97Å |
| 157 | N | 92.3 | Very high | 90.9 | Very high | 101 Ų | 101 | 107.4 Ų | 107.4 | 54% | 0.54 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.6 | -79.9 | -13 | 0 | 0 | 0 | 111.3 | L153 E154 V159 L160 E161 | L153-N157 WeakPolarHBondContact O-CB 3.42Å; L153-N157 PolarHBondContact O-N 3.4Å; E154-N157 PolarHBondContact O-N 2.63Å; N157-V159 VanDerWaalsContact C-N 3.32Å; N157-V159 PolarHBondContact O-N 3.32Å; N157-L160 CarbonylContact O-C 3.59Å; N157-L160 PolarHBondContact O-N 2.94Å; N157-L160 VanDerWaalsContact O-N 3.11Å; N157-E161 WeakPolarHBondContact O-CB 3.45Å; N157-E161 PolarHBondContact O-N 3.38Å |
| 158 | Q | 93.5 | Very high | 90.6 | Very high | 130 Ų | 130 | 107.8 Ų | 107.8 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -37.3 | 176.2 | -162.1 | 171.9 | 24.7 | 0 | 0 | 112.2 | E154 Q156 T162 | E154-Q158 WeakPolarHBondContact O-CB 3.2Å; E154-Q158 PolarHBondContact O-N 3.4Å; Q156-Q158 VanDerWaalsContact C-N 3.32Å; Q156-Q158 PolarHBondContact O-N 3.46Å; Q158-T162 WeakPolarHBondContact O-CG2 3.28Å; Q158-T162 PolarHBondContact O-N 2.98Å; Q158-T162 PolarHBondContact O-OG1 2.94Å |
| 159 | V | 93.6 | Very high | 90.1 | Very high | 68 Ų | 68 | 108.2 Ų | 108.2 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.2 | -36.4 | 172.5 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | Q155 Q156 N157 T162 K163 | Q155-V159 WeakPolarHBondContact O-CG2 3.09Å; Q155-V159 PolarHBondContact O-N 2.88Å; Q155-V159 VanDerWaalsContact O-N 3.1Å; Q156-V159 PolarHBondContact O-N 3.34Å; N157-V159 VanDerWaalsContact C-N 3.32Å; N157-V159 PolarHBondContact O-N 3.32Å; V159-T162 WeakPolarHBondContact CA-OG1 3.44Å; V159-T162 PolarHBondContact O-OG1 3.4Å; V159-K163 HydrophobicContact CG1-CD 4.15Å; V159-K163 WeakPolarHBondContact O-CB 3.38Å; V159-K163 WeakPolarHBondContact O-CG 3.38Å; V159-K163 PolarHBondContact O-N 2.87Å; V159-K163 VanDerWaalsContact O-N 3.1Å |
| 160 | L | 92.6 | Very high | 89.3 | Confident | 102 Ų | 102 | 107.5 Ų | 107.5 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.9 | -38.4 | 176 | -73.5 | 170.8 | 0 | 0 | 0 | 111.8 | Q156 N157 K163 W164 | Q156-L160 WeakPolarHBondContact O-CG 3.4Å; Q156-L160 PolarHBondContact O-N 2.97Å; N157-L160 CarbonylContact O-C 3.59Å; N157-L160 PolarHBondContact O-N 2.94Å; N157-L160 VanDerWaalsContact O-N 3.11Å; L160-K163 PolarHBondContact O-N 3.49Å; L160-W164 WeakPolarHBondContact O-CB 3.42Å; L160-W164 PolarHBondContact O-N 2.84Å |
| 161 | E | 91.1 | Very high | 88.3 | Confident | 123 Ų | 123 | 108.7 Ų | 108.7 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.1 | -47.3 | 178.3 | -167.6 | 165.2 | -146.6 | 0 | 0 | 111.1 | N157 K163 W164 E165 | N157-E161 WeakPolarHBondContact O-CB 3.45Å; N157-E161 PolarHBondContact O-N 3.38Å; E161-K163 VanDerWaalsContact C-N 3.34Å; E161-K163 PolarHBondContact O-N 3.32Å; E161-W164 WeakPolarHBondContact O-CB 3.14Å; E161-W164 PolarHBondContact O-N 3.49Å; E161-E165 PolarHBondContact O-N 2.96Å |
| 162 | T | 90.5 | Very high | 87.2 | Confident | 68 Ų | 68 | 106 Ų | 106 | 42% | 0.417 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 174.1 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | Q158 V159 L166 | Q158-T162 WeakPolarHBondContact O-CG2 3.28Å; Q158-T162 PolarHBondContact O-N 2.98Å; Q158-T162 PolarHBondContact O-OG1 2.94Å; V159-T162 WeakPolarHBondContact CA-OG1 3.44Å; V159-T162 PolarHBondContact O-OG1 3.4Å; T162-L166 WeakPolarHBondContact O-CB 3.29Å; T162-L166 WeakPolarHBondContact O-CG 3.29Å; T162-L166 PolarHBondContact O-N 2.9Å |
| 163 | K | 90.8 | Very high | 85.8 | Confident | 122 Ų | 122 | 105.2 Ų | 105.2 | 53% | 0.53 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 173.1 | -77.6 | 174.7 | -179.7 | -179.5 | 0 | 112.3 | V159 L160 E161 L166 L167 | V159-K163 HydrophobicContact CG1-CD 4.15Å; V159-K163 WeakPolarHBondContact O-CB 3.38Å; V159-K163 WeakPolarHBondContact O-CG 3.38Å; V159-K163 PolarHBondContact O-N 2.87Å; V159-K163 VanDerWaalsContact O-N 3.1Å; L160-K163 PolarHBondContact O-N 3.49Å; E161-K163 VanDerWaalsContact C-N 3.34Å; E161-K163 PolarHBondContact O-N 3.32Å; K163-L166 PolarHBondContact O-N 3.27Å; K163-L167 WeakPolarHBondContact O-CB 3.07Å; K163-L167 WeakPolarHBondContact O-CG 3.45Å; K163-L167 PolarHBondContact O-N 3.49Å |
| 164 | W | 86.8 | Confident | 84.3 | Confident | 173 Ų | 173 | 106 Ų | 106 | 66% | 0.655 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.7 | -46.3 | 176.6 | 176.6 | -98.5 | 0 | 0 | 0 | 111.3 | L160 E161 L166 L167 Q168 | L160-W164 WeakPolarHBondContact O-CB 3.42Å; L160-W164 PolarHBondContact O-N 2.84Å; E161-W164 WeakPolarHBondContact O-CB 3.14Å; E161-W164 PolarHBondContact O-N 3.49Å; W164-L166 PolarHBondContact O-N 3.35Å; W164-L167 PolarHBondContact O-N 2.96Å; W164-Q168 WeakPolarHBondContact O-CB 3.37Å; W164-Q168 PolarHBondContact O-N 3.42Å |
| 165 | E | 88.1 | Confident | 82.6 | Confident | 101 Ų | 101 | 104.4 Ų | 104.4 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 176.5 | -74.4 | -176.9 | 162.3 | 0 | 0 | 112.2 | E161 Q168 Q169 | E161-E165 PolarHBondContact O-N 2.96Å; E165-Q168 PolarHBondContact O-N 3.43Å; E165-Q169 WeakPolarHBondContact O-CB 3.42Å; E165-Q169 VanDerWaalsContact O-CG 3.28Å; E165-Q169 WeakPolarHBondContact O-CG 3.39Å; E165-Q169 PolarHBondContact O-N 2.91Å |
| 166 | L | 86.6 | Confident | 81 | Confident | 112 Ų | 112 | 105 Ų | 105 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.9 | -41.4 | 177.1 | -77.6 | 169.5 | 0 | 0 | 0 | 112.4 | T162 K163 W164 Q169 L170 | T162-L166 WeakPolarHBondContact O-CB 3.29Å; T162-L166 WeakPolarHBondContact O-CG 3.29Å; T162-L166 PolarHBondContact O-N 2.9Å; K163-L166 PolarHBondContact O-N 3.27Å; W164-L166 PolarHBondContact O-N 3.35Å; L166-Q169 PolarHBondContact O-N 2.91Å; L166-L170 WeakPolarHBondContact O-CB 3.4Å; L166-L170 PolarHBondContact O-N 3.4Å |
| 167 | L | 84.6 | Confident | 79.5 | Confident | 99 Ų | 99 | 107.1 Ų | 107.1 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 174.8 | -79.4 | 170.7 | 0 | 0 | 0 | 111.3 | K163 W164 Q169 L170 D171 | K163-L167 WeakPolarHBondContact O-CB 3.07Å; K163-L167 WeakPolarHBondContact O-CG 3.45Å; K163-L167 PolarHBondContact O-N 3.49Å; W164-L167 PolarHBondContact O-N 2.96Å; L167-Q169 VanDerWaalsContact C-N 3.35Å; L167-Q169 PolarHBondContact O-N 2.94Å; L167-L170 PolarHBondContact O-N 3.36Å; L167-D171 PolarHBondContact O-N 3.21Å |
| 168 | Q | 81.6 | Confident | 78.4 | Confident | 100 Ų | 100 | 106.9 Ų | 106.9 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 177.6 | -172.1 | 169.6 | 31.3 | 0 | 0 | 111.7 | W164 E165 L170 D171 L172 | W164-Q168 WeakPolarHBondContact O-CB 3.37Å; W164-Q168 PolarHBondContact O-N 3.42Å; E165-Q168 PolarHBondContact O-N 3.43Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-D171 PolarHBondContact O-N 2.89Å; Q168-L172 HydrophobicContact CG-CD1 3.84Å; Q168-L172 WeakPolarHBondContact O-CB 3.27Å; Q168-L172 WeakPolarHBondContact O-CD1 3.48Å; Q168-L172 PolarHBondContact O-N 3.38Å |
| 169 | Q | 80.4 | Confident | 77.7 | Confident | 111 Ų | 111 | 105.8 Ų | 105.8 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -37.9 | 174 | -73.4 | 176.5 | 14.2 | 0 | 0 | 112.2 | E165 L166 L167 N173 | E165-Q169 WeakPolarHBondContact O-CB 3.42Å; E165-Q169 VanDerWaalsContact O-CG 3.28Å; E165-Q169 WeakPolarHBondContact O-CG 3.39Å; E165-Q169 PolarHBondContact O-N 2.91Å; L166-Q169 PolarHBondContact O-N 2.91Å; L167-Q169 VanDerWaalsContact C-N 3.35Å; L167-Q169 PolarHBondContact O-N 2.94Å; Q169-N173 VanDerWaalsContact O-CB 3.31Å; Q169-N173 WeakPolarHBondContact O-CB 3.47Å; Q169-N173 PolarHBondContact O-N 2.81Å; Q169-N173 PolarHBondContact O-ND2 2.98Å |
| 170 | L | 77.3 | Confident | 77.3 | Confident | 93 Ų | 93 | 109.3 Ų | 109.3 | 49% | 0.487 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 176.3 | -175.3 | 63.9 | 0 | 0 | 0 | 111.4 | L166 L167 Q168 N173 N174 | L166-L170 WeakPolarHBondContact O-CB 3.4Å; L166-L170 PolarHBondContact O-N 3.4Å; L167-L170 PolarHBondContact O-N 3.36Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; L170-N173 PolarHBondContact O-N 3.45Å; L170-N174 WeakPolarHBondContact CG-ND2 3.4Å; L170-N174 WeakPolarHBondContact O-CB 3.48Å; L170-N174 PolarHBondContact O-N 3Å; L170-N174 PolarHBondContact O-ND2 3.29Å; L170-N174 VanDerWaalsContact O-ND2 3.09Å |
| 171 | D | 70.4 | Confident | 77 | Confident | 101 Ų | 101 | 108.7 Ų | 108.7 | 54% | 0.54 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 175.6 | -80.2 | -16.7 | 0 | 0 | 0 | 111.7 | L167 Q168 N173 N174 C175 | L167-D171 PolarHBondContact O-N 3.21Å; Q168-D171 PolarHBondContact O-N 2.89Å; D171-N173 VanDerWaalsContact C-N 3.26Å; D171-N173 PolarHBondContact O-N 2.92Å; D171-N174 PolarHBondContact O-N 3.36Å; D171-C175 WeakPolarHBondContact O-CB 3.16Å; D171-C175 PolarHBondContact O-N 2.84Å; D171-C175 PolarHBondContact O-SG 3.18Å |
| 172 | L | 67.5 | Low | 76.8 | Confident | 110 Ų | 110 | 108.6 Ų | 108.6 | 58% | 0.576 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.7 | -31.2 | 175 | -94.5 | 85.2 | 0 | 0 | 0 | 112.9 | Q168 | Q168-L172 HydrophobicContact CG-CD1 3.84Å; Q168-L172 WeakPolarHBondContact O-CB 3.27Å; Q168-L172 WeakPolarHBondContact O-CD1 3.48Å; Q168-L172 PolarHBondContact O-N 3.38Å |
| 173 | N | 63.8 | Low | 76.8 | Confident | 85 Ų | 85 | 109.7 Ų | 109.7 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -81.9 | -32.9 | 177.7 | -74.2 | -37.7 | 0 | 0 | 0 | 112.6 | Q169 L170 D171 C175 K176 | Q169-N173 VanDerWaalsContact O-CB 3.31Å; Q169-N173 WeakPolarHBondContact O-CB 3.47Å; Q169-N173 PolarHBondContact O-N 2.81Å; Q169-N173 PolarHBondContact O-ND2 2.98Å; L170-N173 PolarHBondContact O-N 3.45Å; D171-N173 VanDerWaalsContact C-N 3.26Å; D171-N173 PolarHBondContact O-N 2.92Å; N173-C175 VanDerWaalsContact C-N 3.32Å; N173-K176 WeakPolarHBondContact O-CB 3.08Å; N173-K176 PolarHBondContact O-N 3.45Å; N173-K176 PolarHBondContact OD1-NZ 2.92Å |
| 174 | N | 61.5 | Low | 76.9 | Confident | 92 Ų | 92 | 108.4 Ų | 108.4 | 49% | 0.492 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.7 | -30.9 | 172.7 | -79.6 | -47.4 | 0 | 0 | 0 | 112.3 | L170 D171 K176 N177 | L170-N174 WeakPolarHBondContact CG-ND2 3.4Å; L170-N174 WeakPolarHBondContact O-CB 3.48Å; L170-N174 PolarHBondContact O-N 3Å; L170-N174 PolarHBondContact O-ND2 3.29Å; L170-N174 VanDerWaalsContact O-ND2 3.09Å; D171-N174 PolarHBondContact O-N 3.36Å; N174-K176 PolarHBondContact O-N 3.31Å; N174-K176 VanDerWaalsContact O-N 3.15Å; N174-N177 PolarHBondContact O-N 2.97Å |
| 175 | C | 56.3 | Low | 77.3 | Confident | 84 Ų | 84 | 102.1 Ų | 102.1 | 57% | 0.568 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 5.8 | 172.1 | -69.9 | 0 | 0 | 0 | 0 | 114.7 | D171 N173 N178 | D171-C175 WeakPolarHBondContact O-CB 3.16Å; D171-C175 PolarHBondContact O-N 2.84Å; D171-C175 PolarHBondContact O-SG 3.18Å; N173-C175 VanDerWaalsContact C-N 3.32Å; C175-N178 VanDerWaalsContact O-CG 3.24Å; C175-N178 PolarHBondContact O-ND2 3.45Å; C175-N178 PolarHBondContact O-OD1 2.96Å |
| 176 | K | 57.9 | Low | 77.6 | Confident | 142 Ų | 142 | 104.2 Ų | 104.2 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -15.3 | 173.6 | -67.4 | 174.4 | -177.4 | 165.1 | 0 | 113.1 | N173 N174 N178 | N173-K176 WeakPolarHBondContact O-CB 3.08Å; N173-K176 PolarHBondContact O-N 3.45Å; N173-K176 PolarHBondContact OD1-NZ 2.92Å; N174-K176 PolarHBondContact O-N 3.31Å; N174-K176 VanDerWaalsContact O-N 3.15Å; K176-N178 PolarHBondContact O-N 3.48Å |
| 177 | N | 63.1 | Low | 78 | Confident | 133 Ų | 133 | 102 Ų | 102 | 71% | 0.711 | 53% | 0.53 | S | S | * | . | trans | -84.2 | 49.4 | 173.8 | -63.5 | -27.8 | 0 | 0 | 0 | 110.7 | N174 L179 | N174-N177 PolarHBondContact O-N 2.97Å; N177-L179 PolarHBondContact O-N 2.96Å | ||
| 178 | N | 68.9 | Low | 78.6 | Confident | 96 Ų | 96 | 99.6 Ų | 99.6 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | trans | -69.9 | 102.7 | -178.2 | -65 | -46 | 0 | 0 | 0 | 108.8 | C175 K176 E180 P181 | C175-N178 VanDerWaalsContact O-CG 3.24Å; C175-N178 PolarHBondContact O-ND2 3.45Å; C175-N178 PolarHBondContact O-OD1 2.96Å; K176-N178 PolarHBondContact O-N 3.48Å; N178-E180 PolarHBondContact O-N 3.25Å; N178-P181 WeakPolarHBondContact O-CD 3.25Å | ||
| 179 | L | 79.1 | Confident | 79.3 | Confident | 106 Ų | 106 | 98.4 Ų | 98.4 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | trans | -71.7 | -15.3 | 174.1 | -170.7 | 63.6 | 0 | 0 | 0 | 111.8 | N177 I182 L183 | N177-L179 PolarHBondContact O-N 2.96Å; L179-I182 HydrophobicContact CD1-CB 4.47Å; L179-I182 HydrophobicContact CD1-CD1 4.36Å; L179-I182 PolarHBondContact O-N 3.39Å; L179-I182 VanDerWaalsContact O-N 3.16Å; L179-L183 HydrophobicContact CB-CD1 4.44Å; L179-L183 HydrophobicContact CD2-CD1 3.99Å; L179-L183 HydrophobicContact CD2-CG 4.4Å; L179-L183 HydrophobicContact CG-CD1 3.88Å; L179-L183 HydrophobicContact CG-CG 3.99Å; L179-L183 WeakPolarHBondContact O-CG 3.31Å; L179-L183 PolarHBondContact O-N 2.77Å | ||
| 180 | E | 84.1 | Confident | 80.1 | Confident | 143 Ų | 143 | 96.5 Ų | 96.5 | 67% | 0.668 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -55.4 | -44.2 | -176.2 | -167 | 172.5 | -169.4 | 0 | 0 | 114.4 | N178 I182 L183 E184 | N178-E180 PolarHBondContact O-N 3.25Å; E180-I182 VanDerWaalsContact C-N 3.32Å; E180-I182 PolarHBondContact O-N 3.36Å; E180-L183 PolarHBondContact O-N 2.9Å; E180-E184 VanDerWaalsContact O-CB 3.26Å; E180-E184 WeakPolarHBondContact O-CB 3.42Å; E180-E184 PolarHBondContact O-N 3.04Å |
| 181 | P | 86.3 | Confident | 81 | Confident | 89 Ų | 89 | 99.7 Ų | 99.7 | 58% | 0.578 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.2 | -30.7 | 177.8 | -19.6 | 34.4 | 0 | 0 | 0 | 113.4 | N178 G185 | N178-P181 WeakPolarHBondContact O-CD 3.25Å; P181-G185 PolarHBondContact O-N 3.24Å |
| 182 | I | 87.3 | Confident | 82.3 | Confident | 120 Ų | 120 | 101.6 Ų | 101.6 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.4 | -44.1 | 177.1 | -61.9 | 173 | 0 | 0 | 0 | 109.6 | L179 E180 G185 Y186 | L179-I182 HydrophobicContact CD1-CB 4.47Å; L179-I182 HydrophobicContact CD1-CD1 4.36Å; L179-I182 PolarHBondContact O-N 3.39Å; L179-I182 VanDerWaalsContact O-N 3.16Å; E180-I182 VanDerWaalsContact C-N 3.32Å; E180-I182 PolarHBondContact O-N 3.36Å; I182-G185 PolarHBondContact O-N 2.89Å; I182-Y186 WeakPolarHBondContact O-CB 3.24Å; I182-Y186 PolarHBondContact O-N 2.86Å |
| 183 | L | 89.8 | Confident | 83.7 | Confident | 91 Ų | 91 | 100.8 Ų | 100.8 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 175.3 | -68.1 | 170.9 | 0 | 0 | 0 | 111.3 | L179 E180 G185 Y186 I187 | L179-L183 HydrophobicContact CB-CD1 4.44Å; L179-L183 HydrophobicContact CD2-CD1 3.99Å; L179-L183 HydrophobicContact CD2-CG 4.4Å; L179-L183 HydrophobicContact CG-CD1 3.88Å; L179-L183 HydrophobicContact CG-CG 3.99Å; L179-L183 WeakPolarHBondContact O-CG 3.31Å; L179-L183 PolarHBondContact O-N 2.77Å; E180-L183 PolarHBondContact O-N 2.9Å; L183-G185 VanDerWaalsContact C-N 3.34Å; L183-G185 PolarHBondContact O-N 2.87Å; L183-Y186 PolarHBondContact O-N 3.42Å; L183-I187 WeakPolarHBondContact O-CB 3.39Å; L183-I187 WeakPolarHBondContact O-CD1 3.35Å; L183-I187 WeakPolarHBondContact O-CG1 3.47Å; L183-I187 PolarHBondContact O-N 3.33Å |
| 184 | E | 93.5 | Very high | 85.4 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 177 | -166.9 | 60.6 | -146.3 | 0 | 0 | 111.2 | E180 I187 S188 R191 | E180-E184 VanDerWaalsContact O-CB 3.26Å; E180-E184 WeakPolarHBondContact O-CB 3.42Å; E180-E184 PolarHBondContact O-N 3.04Å; E184-I187 PolarHBondContact O-N 2.97Å; E184-S188 WeakPolarHBondContact O-CB 3.38Å; E184-S188 PolarHBondContact O-N 3.43Å; E184-R191 IonicContact OE1-NH1 2.88Å |
| 185 | G | 94.8 | Very high | 87.1 | Confident | 41 Ų | 41 | 104.4 Ų | 104.4 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P181 I182 L183 S188 N189 | P181-G185 PolarHBondContact O-N 3.24Å; I182-G185 PolarHBondContact O-N 2.89Å; L183-G185 VanDerWaalsContact C-N 3.34Å; L183-G185 PolarHBondContact O-N 2.87Å; G185-S188 PolarHBondContact O-N 3.35Å; G185-N189 WeakPolarHBondContact O-CB 3.43Å; G185-N189 PolarHBondContact O-N 3.37Å |
| 186 | Y | 95.1 | Very high | 89 | Confident | 146 Ų | 146 | 104.5 Ų | 104.5 | 57% | 0.573 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.6 | -43.5 | 176.2 | -175.8 | -107.8 | 0 | 0 | 0 | 112.2 | I182 L183 S188 N189 L190 | I182-Y186 WeakPolarHBondContact O-CB 3.24Å; I182-Y186 PolarHBondContact O-N 2.86Å; L183-Y186 PolarHBondContact O-N 3.42Å; Y186-S188 VanDerWaalsContact C-N 3.35Å; Y186-S188 PolarHBondContact O-N 2.91Å; Y186-N189 PolarHBondContact O-N 3.33Å; Y186-L190 HydrophobicContact CD1-CD1 3.81Å; Y186-L190 HydrophobicContact CD1-CG 4.37Å; Y186-L190 HydrophobicContact CE1-CD1 3.36Å; Y186-L190 HydrophobicContact CE1-CG 4.04Å; Y186-L190 WeakPolarHBondContact O-CG 3.38Å; Y186-L190 PolarHBondContact O-N 3.45Å |
| 187 | I | 95.4 | Very high | 90.9 | Very high | 65 Ų | 65 | 103.2 Ų | 103.2 | 33% | 0.333 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 174.7 | -69.4 | 164.3 | 0 | 0 | 0 | 110.4 | L183 E184 N189 L190 R191 | L183-I187 WeakPolarHBondContact O-CB 3.39Å; L183-I187 WeakPolarHBondContact O-CD1 3.35Å; L183-I187 WeakPolarHBondContact O-CG1 3.47Å; L183-I187 PolarHBondContact O-N 3.33Å; E184-I187 PolarHBondContact O-N 2.97Å; I187-N189 VanDerWaalsContact C-N 3.34Å; I187-N189 PolarHBondContact O-N 2.93Å; I187-L190 PolarHBondContact O-N 2.86Å; I187-R191 HydrophobicContact CG2-CG 4.46Å; I187-R191 WeakPolarHBondContact O-CB 3.5Å; I187-R191 VanDerWaalsContact O-CG 3.3Å; I187-R191 WeakPolarHBondContact O-CG 3.42Å; I187-R191 PolarHBondContact O-N 3.36Å |
| 188 | S | 96.7 | Very high | 92.6 | Very high | 49 Ų | 49 | 98.2 Ų | 98.2 | 34% | 0.343 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.2 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | E184 G185 Y186 R191 K192 | E184-S188 WeakPolarHBondContact O-CB 3.38Å; E184-S188 PolarHBondContact O-N 3.43Å; G185-S188 PolarHBondContact O-N 3.35Å; Y186-S188 VanDerWaalsContact C-N 3.35Å; Y186-S188 PolarHBondContact O-N 2.91Å; S188-R191 PolarHBondContact O-N 2.67Å; S188-K192 WeakPolarHBondContact O-CG 3.35Å; S188-K192 PolarHBondContact O-N 2.9Å |
| 189 | N | 96.9 | Very high | 93.9 | Very high | 74 Ų | 74 | 95.5 Ų | 95.5 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -45 | 174.6 | -175.8 | 56.8 | 0 | 0 | 0 | 112.2 | G185 Y186 I187 R191 K192 Q193 | G185-N189 WeakPolarHBondContact O-CB 3.43Å; G185-N189 PolarHBondContact O-N 3.37Å; Y186-N189 PolarHBondContact O-N 3.33Å; I187-N189 VanDerWaalsContact C-N 3.34Å; I187-N189 PolarHBondContact O-N 2.93Å; N189-R191 VanDerWaalsContact C-N 3.33Å; N189-R191 PolarHBondContact O-N 3.2Å; N189-K192 PolarHBondContact O-N 3.46Å; N189-Q193 PolarHBondContact ND2-NE2 2.98Å; N189-Q193 WeakPolarHBondContact O-CG 2.9Å; N189-Q193 PolarHBondContact O-N 3.33Å |
| 190 | L | 96.5 | Very high | 94.8 | Very high | 72 Ų | 72 | 93.8 Ų | 93.8 | 38% | 0.377 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 175.1 | -74.2 | 177.4 | 0 | 0 | 0 | 112.1 | Y186 I187 Q193 L194 | Y186-L190 HydrophobicContact CD1-CD1 3.81Å; Y186-L190 HydrophobicContact CD1-CG 4.37Å; Y186-L190 HydrophobicContact CE1-CD1 3.36Å; Y186-L190 HydrophobicContact CE1-CG 4.04Å; Y186-L190 WeakPolarHBondContact O-CG 3.38Å; Y186-L190 PolarHBondContact O-N 3.45Å; I187-L190 PolarHBondContact O-N 2.86Å; L190-Q193 PolarHBondContact O-N 3.44Å; L190-L194 WeakPolarHBondContact O-CB 3.39Å; L190-L194 PolarHBondContact O-N 3.39Å |
| 191 | R | 96.9 | Very high | 95.5 | Very high | 159 Ų | 159 | 94.7 Ų | 94.7 | 60% | 0.6 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -43.2 | 174.4 | -75.7 | 174.6 | 177.1 | 161.3 | 2 | 111.7 | E184 I187 S188 N189 L194 E195 | E184-R191 IonicContact OE1-NH1 2.88Å; I187-R191 HydrophobicContact CG2-CG 4.46Å; I187-R191 WeakPolarHBondContact O-CB 3.5Å; I187-R191 VanDerWaalsContact O-CG 3.3Å; I187-R191 WeakPolarHBondContact O-CG 3.42Å; I187-R191 PolarHBondContact O-N 3.36Å; S188-R191 PolarHBondContact O-N 2.67Å; N189-R191 VanDerWaalsContact C-N 3.33Å; N189-R191 PolarHBondContact O-N 3.2Å; R191-L194 PolarHBondContact O-N 3.49Å; R191-E195 PolarHBondContact O-N 2.94Å |
| 192 | K | 97.4 | Very high | 96.1 | Very high | 142 Ų | 142 | 94.5 Ų | 94.5 | 62% | 0.617 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.3 | -42.9 | 174.8 | -74.1 | 177.6 | -176.6 | 179.8 | 0 | 111.9 | S188 N189 E195 T196 | S188-K192 WeakPolarHBondContact O-CG 3.35Å; S188-K192 PolarHBondContact O-N 2.9Å; N189-K192 PolarHBondContact O-N 3.46Å; K192-E195 PolarHBondContact O-N 3.49Å; K192-T196 PolarHBondContact O-N 3.22Å; K192-T196 PolarHBondContact O-OG1 3.32Å |
| 193 | Q | 97.5 | Very high | 96.6 | Very high | 93 Ų | 93 | 94 Ų | 94 | 44% | 0.435 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 176 | -73 | 179.4 | -1.9 | 0 | 0 | 111.7 | N189 L190 E195 T196 L197 | N189-Q193 PolarHBondContact ND2-NE2 2.98Å; N189-Q193 WeakPolarHBondContact O-CG 2.9Å; N189-Q193 PolarHBondContact O-N 3.33Å; L190-Q193 PolarHBondContact O-N 3.44Å; Q193-E195 VanDerWaalsContact C-N 3.31Å; Q193-E195 PolarHBondContact O-N 2.91Å; Q193-T196 WeakPolarHBondContact CA-OG1 3.48Å; Q193-T196 PolarHBondContact O-N 2.92Å; Q193-T196 PolarHBondContact O-OG1 2.87Å; Q193-L197 WeakPolarHBondContact O-CB 3.23Å; Q193-L197 VanDerWaalsContact O-CG 3.3Å; Q193-L197 WeakPolarHBondContact O-CG 3.37Å; Q193-L197 PolarHBondContact O-N 3.38Å |
| 194 | L | 97.6 | Very high | 96.9 | Very high | 118 Ų | 118 | 94 Ų | 94 | 62% | 0.618 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.6 | -41.6 | 175.1 | -177.2 | 65.4 | 0 | 0 | 0 | 111.6 | L190 R191 L197 S198 | L190-L194 WeakPolarHBondContact O-CB 3.39Å; L190-L194 PolarHBondContact O-N 3.39Å; R191-L194 PolarHBondContact O-N 3.49Å; L194-L197 PolarHBondContact O-N 2.89Å; L194-S198 VanDerWaalsContact O-CB 3.31Å; L194-S198 WeakPolarHBondContact O-CB 3.33Å; L194-S198 PolarHBondContact O-N 3.32Å; L194-S198 PolarHBondContact O-OG 3.27Å |
| 195 | E | 97.4 | Very high | 97.1 | Very high | 135 Ų | 135 | 93 Ų | 93 | 63% | 0.631 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.5 | -39 | 178.3 | -167.1 | 59.3 | -155.2 | 0 | 0 | 112.4 | R191 K192 Q193 S198 G199 | R191-E195 PolarHBondContact O-N 2.94Å; K192-E195 PolarHBondContact O-N 3.49Å; Q193-E195 VanDerWaalsContact C-N 3.31Å; Q193-E195 PolarHBondContact O-N 2.91Å; E195-S198 WeakPolarHBondContact CA-OG 3.3Å; E195-S198 PolarHBondContact O-N 2.93Å; E195-S198 PolarHBondContact O-OG 3.42Å; E195-G199 PolarHBondContact O-N 2.86Å |
| 196 | T | 97.8 | Very high | 97.3 | Very high | 86 Ų | 86 | 93 Ų | 93 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 173.3 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | K192 Q193 G199 D200 | K192-T196 PolarHBondContact O-N 3.22Å; K192-T196 PolarHBondContact O-OG1 3.32Å; Q193-T196 WeakPolarHBondContact CA-OG1 3.48Å; Q193-T196 PolarHBondContact O-N 2.92Å; Q193-T196 PolarHBondContact O-OG1 2.87Å; T196-G199 PolarHBondContact O-N 3.39Å; T196-D200 PolarHBondContact O-N 2.93Å |
| 197 | L | 97.6 | Very high | 97.4 | Very high | 114 Ų | 114 | 90.1 Ų | 90.1 | 60% | 0.597 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.1 | -35 | 177.8 | -71.5 | 172.5 | 0 | 0 | 0 | 112.1 | Q193 L194 R201 | Q193-L197 WeakPolarHBondContact O-CB 3.23Å; Q193-L197 VanDerWaalsContact O-CG 3.3Å; Q193-L197 WeakPolarHBondContact O-CG 3.37Å; Q193-L197 PolarHBondContact O-N 3.38Å; L194-L197 PolarHBondContact O-N 2.89Å; L197-R201 WeakPolarHBondContact O-CB 3.43Å; L197-R201 PolarHBondContact O-N 2.89Å |
| 198 | S | 97.3 | Very high | 97.5 | Very high | 29 Ų | 29 | 90.5 Ų | 90.5 | 20% | 0.203 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 175.7 | 74.5 | 0 | 0 | 0 | 0 | 110.9 | L194 E195 R201 V202 | L194-S198 VanDerWaalsContact O-CB 3.31Å; L194-S198 WeakPolarHBondContact O-CB 3.33Å; L194-S198 PolarHBondContact O-N 3.32Å; L194-S198 PolarHBondContact O-OG 3.27Å; E195-S198 WeakPolarHBondContact CA-OG 3.3Å; E195-S198 PolarHBondContact O-N 2.93Å; E195-S198 PolarHBondContact O-OG 3.42Å; S198-R201 WeakPolarHBondContact O-CB 3.4Å; S198-R201 PolarHBondContact O-N 2.88Å; S198-V202 WeakPolarHBondContact O-CG2 3.24Å; S198-V202 PolarHBondContact O-N 3.29Å |
| 199 | G | 98.1 | Very high | 97.6 | Very high | 38 Ų | 38 | 94.7 Ų | 94.7 | 39% | 0.392 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | E195 T196 R201 V202 R203 | E195-G199 PolarHBondContact O-N 2.86Å; T196-G199 PolarHBondContact O-N 3.39Å; G199-R201 VanDerWaalsContact C-N 3.33Å; G199-R201 PolarHBondContact O-N 3.03Å; G199-V202 PolarHBondContact O-N 2.74Å; G199-R203 PolarHBondContact O-N 2.91Å |
| 200 | D | 97.9 | Very high | 97.7 | Very high | 70 Ų | 70 | 95.7 Ų | 95.7 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 175.6 | -88.3 | -36.2 | 0 | 0 | 0 | 112.4 | T196 V202 R203 L204 | T196-D200 PolarHBondContact O-N 2.93Å; D200-V202 PolarHBondContact O-N 2.86Å; D200-R203 PolarHBondContact O-N 3.36Å; D200-R203 IonicContact OD1-CZ 3.76Å; D200-R203 IonicContact OD1-NE 3.7Å; D200-R203 PolarHBondContact OD1-NE 3.37Å; D200-R203 IonicContact OD1-NH2 3.93Å; D200-R203 PolarHBondContact OD1-NH2 2.89Å; D200-R203 VanDerWaalsContact OD1-NH2 3.15Å; D200-L204 WeakPolarHBondContact O-CB 3.46Å; D200-L204 WeakPolarHBondContact O-CG 3.4Å; D200-L204 PolarHBondContact O-N 2.84Å |
| 201 | R | 97.9 | Very high | 97.7 | Very high | 162 Ų | 162 | 96.7 Ų | 96.7 | 61% | 0.611 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.8 | -47.7 | 173.7 | -176.8 | -177.3 | 67.7 | 177.2 | 1.1 | 111.1 | L197 S198 G199 R203 L204 D205 | L197-R201 WeakPolarHBondContact O-CB 3.43Å; L197-R201 PolarHBondContact O-N 2.89Å; S198-R201 WeakPolarHBondContact O-CB 3.4Å; S198-R201 PolarHBondContact O-N 2.88Å; G199-R201 VanDerWaalsContact C-N 3.33Å; G199-R201 PolarHBondContact O-N 3.03Å; R201-R203 VanDerWaalsContact C-N 3.32Å; R201-R203 PolarHBondContact O-N 3.1Å; R201-L204 PolarHBondContact O-N 3.44Å; R201-D205 WeakPolarHBondContact O-CB 3.33Å; R201-D205 VanDerWaalsContact O-CG 3.26Å; R201-D205 PolarHBondContact O-N 3.48Å |
| 202 | V | 97.9 | Very high | 97.8 | Very high | 85 Ų | 85 | 96.1 Ų | 96.1 | 52% | 0.515 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 179.1 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | S198 G199 D200 D205 S206 | S198-V202 WeakPolarHBondContact O-CG2 3.24Å; S198-V202 PolarHBondContact O-N 3.29Å; G199-V202 PolarHBondContact O-N 2.74Å; D200-V202 PolarHBondContact O-N 2.86Å; V202-D205 PolarHBondContact O-N 3.29Å; V202-S206 PolarHBondContact O-N 3.34Å |
| 203 | R | 98.1 | Very high | 97.8 | Very high | 111 Ų | 111 | 94 Ų | 94 | 42% | 0.419 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 175.3 | -176.3 | -176.3 | 61 | 75.8 | 1.7 | 111.8 | G199 D200 R201 D205 S206 E207 | G199-R203 PolarHBondContact O-N 2.91Å; D200-R203 PolarHBondContact O-N 3.36Å; D200-R203 IonicContact OD1-CZ 3.76Å; D200-R203 IonicContact OD1-NE 3.7Å; D200-R203 PolarHBondContact OD1-NE 3.37Å; D200-R203 IonicContact OD1-NH2 3.93Å; D200-R203 PolarHBondContact OD1-NH2 2.89Å; D200-R203 VanDerWaalsContact OD1-NH2 3.15Å; R201-R203 VanDerWaalsContact C-N 3.32Å; R201-R203 PolarHBondContact O-N 3.1Å; R203-D205 VanDerWaalsContact C-N 3.31Å; R203-D205 PolarHBondContact O-N 3.49Å; R203-S206 PolarHBondContact O-N 3.43Å; R203-S206 PolarHBondContact O-OG 3.5Å; R203-E207 IonicContact CZ-OE1 2.93Å; R203-E207 IonicContact NH1-OE1 2.64Å; R203-E207 PolarHBondContact NH1-OE1 2.98Å; R203-E207 IonicContact NH1-OE2 2.72Å; R203-E207 PolarHBondContact NH1-OE2 3.27Å; R203-E207 PolarHBondContact O-N 2.88Å |
| 204 | L | 97.7 | Very high | 97.9 | Very high | 91 Ų | 91 | 93.1 Ų | 93.1 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 176.7 | -72.8 | 169.3 | 0 | 0 | 0 | 111.6 | D200 R201 S206 E207 L208 | D200-L204 WeakPolarHBondContact O-CB 3.46Å; D200-L204 WeakPolarHBondContact O-CG 3.4Å; D200-L204 PolarHBondContact O-N 2.84Å; R201-L204 PolarHBondContact O-N 3.44Å; L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 3.41Å; L204-E207 PolarHBondContact O-N 2.84Å; L204-L208 WeakPolarHBondContact O-CB 3.38Å; L204-L208 PolarHBondContact O-N 3.48Å |
| 205 | D | 97.5 | Very high | 97.9 | Very high | 74 Ų | 74 | 91.2 Ų | 91.2 | 40% | 0.396 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.3 | -29.7 | 175.5 | -76.7 | -25.5 | 0 | 0 | 0 | 112.6 | R201 V202 R203 R209 | R201-D205 WeakPolarHBondContact O-CB 3.33Å; R201-D205 VanDerWaalsContact O-CG 3.26Å; R201-D205 PolarHBondContact O-N 3.48Å; V202-D205 PolarHBondContact O-N 3.29Å; R203-D205 VanDerWaalsContact C-N 3.31Å; R203-D205 PolarHBondContact O-N 3.49Å; D205-R209 WeakPolarHBondContact O-CB 3.29Å; D205-R209 WeakPolarHBondContact O-CG 3.48Å; D205-R209 PolarHBondContact O-N 3.47Å; D205-R209 PolarHBondContact O-NE 3.41Å |
| 206 | S | 97.6 | Very high | 97.9 | Very high | 40 Ų | 40 | 89.9 Ų | 89.9 | 28% | 0.28 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -77.7 | -42.2 | 173.3 | 71 | 0 | 0 | 0 | 0 | 111.7 | V202 R203 L204 L208 R209 N210 | V202-S206 PolarHBondContact O-N 3.34Å; R203-S206 PolarHBondContact O-N 3.43Å; R203-S206 PolarHBondContact O-OG 3.5Å; L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 3.41Å; S206-L208 VanDerWaalsContact C-N 3.35Å; S206-L208 PolarHBondContact O-N 3.27Å; S206-R209 PolarHBondContact O-N 2.94Å; S206-N210 WeakPolarHBondContact O-CB 3.32Å; S206-N210 PolarHBondContact O-N 2.88Å; S206-N210 PolarHBondContact O-ND2 3.37Å; S206-N210 PolarHBondContact O-OD1 2.98Å |
| 207 | E | 98.1 | Very high | 97.9 | Very high | 86 Ų | 86 | 90.7 Ų | 90.7 | 40% | 0.402 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 173.5 | -74.5 | 172.9 | -164.6 | 0 | 0 | 111.6 | R203 L204 R209 N210 V211 | R203-E207 IonicContact CZ-OE1 2.93Å; R203-E207 IonicContact NH1-OE1 2.64Å; R203-E207 PolarHBondContact NH1-OE1 2.98Å; R203-E207 IonicContact NH1-OE2 2.72Å; R203-E207 PolarHBondContact NH1-OE2 3.27Å; R203-E207 PolarHBondContact O-N 2.88Å; L204-E207 PolarHBondContact O-N 2.84Å; E207-R209 PolarHBondContact O-N 3.3Å; E207-N210 PolarHBondContact O-N 3.29Å; E207-V211 VanDerWaalsContact O-CG2 3.31Å; E207-V211 WeakPolarHBondContact O-CG2 3.49Å; E207-V211 PolarHBondContact O-N 2.91Å |
| 208 | L | 98 | Very high | 97.9 | Very high | 73 Ų | 73 | 92 Ų | 92 | 38% | 0.382 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 177.1 | 170 | 160.5 | 0 | 0 | 0 | 112 | L204 S206 R212 | L204-L208 WeakPolarHBondContact O-CB 3.38Å; L204-L208 PolarHBondContact O-N 3.48Å; S206-L208 VanDerWaalsContact C-N 3.35Å; S206-L208 PolarHBondContact O-N 3.27Å; L208-R212 VanDerWaalsContact CD2-NE 3.31Å; L208-R212 VanDerWaalsContact CD2-NH2 3.3Å; L208-R212 WeakPolarHBondContact O-CG 3.03Å; L208-R212 PolarHBondContact O-N 3.32Å |
| 209 | R | 98.1 | Very high | 98 | Very high | 137 Ų | 137 | 96.2 Ų | 96.2 | 52% | 0.517 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 172.1 | -82.2 | -180 | -74.8 | 152 | -7.1 | 111.5 | D205 S206 E207 V211 R212 D213 | D205-R209 WeakPolarHBondContact O-CB 3.29Å; D205-R209 WeakPolarHBondContact O-CG 3.48Å; D205-R209 PolarHBondContact O-N 3.47Å; D205-R209 PolarHBondContact O-NE 3.41Å; S206-R209 PolarHBondContact O-N 2.94Å; E207-R209 PolarHBondContact O-N 3.3Å; R209-V211 VanDerWaalsContact C-N 3.3Å; R209-V211 PolarHBondContact O-N 3.27Å; R209-R212 WeakPolarHBondContact O-CB 3.39Å; R209-R212 PolarHBondContact O-N 3.3Å; R209-R212 VanDerWaalsContact O-N 3.11Å; R209-D213 VanDerWaalsContact O-CG 3.29Å; R209-D213 PolarHBondContact O-N 2.89Å |
| 210 | N | 98.1 | Very high | 98 | Very high | 94 Ų | 94 | 100.4 Ų | 100.4 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.8 | -43.3 | 177 | -65 | -18 | 0 | 0 | 0 | 111.6 | S206 E207 D213 V214 | S206-N210 WeakPolarHBondContact O-CB 3.32Å; S206-N210 PolarHBondContact O-N 2.88Å; S206-N210 PolarHBondContact O-ND2 3.37Å; S206-N210 PolarHBondContact O-OD1 2.98Å; E207-N210 PolarHBondContact O-N 3.29Å; N210-D213 PolarHBondContact O-N 2.91Å; N210-V214 VanDerWaalsContact O-CG2 3.29Å; N210-V214 WeakPolarHBondContact O-CG2 3.3Å; N210-V214 PolarHBondContact O-N 2.87Å |
| 211 | V | 97.9 | Very high | 98 | Very high | 93 Ų | 93 | 105 Ų | 105 | 56% | 0.564 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -41.3 | 176.9 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | E207 R209 V214 V215 | E207-V211 VanDerWaalsContact O-CG2 3.31Å; E207-V211 WeakPolarHBondContact O-CG2 3.49Å; E207-V211 PolarHBondContact O-N 2.91Å; R209-V211 VanDerWaalsContact C-N 3.3Å; R209-V211 PolarHBondContact O-N 3.27Å; V211-V214 PolarHBondContact O-N 2.85Å; V211-V215 HydrophobicContact CG1-CG2 4.41Å; V211-V215 VanDerWaalsContact O-CG2 3.27Å; V211-V215 WeakPolarHBondContact O-CG2 3.5Å; V211-V215 PolarHBondContact O-N 2.88Å |
| 212 | R | 97.9 | Very high | 98 | Very high | 147 Ų | 147 | 104.8 Ų | 104.8 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.9 | -45.4 | 174.2 | -76.1 | 178.4 | -169.1 | 168.3 | 4.4 | 111.9 | L208 R209 V214 V215 E216 | L208-R212 VanDerWaalsContact CD2-NE 3.31Å; L208-R212 VanDerWaalsContact CD2-NH2 3.3Å; L208-R212 WeakPolarHBondContact O-CG 3.03Å; L208-R212 PolarHBondContact O-N 3.32Å; R209-R212 WeakPolarHBondContact O-CB 3.39Å; R209-R212 PolarHBondContact O-N 3.3Å; R209-R212 VanDerWaalsContact O-N 3.11Å; R212-V214 VanDerWaalsContact C-N 3.31Å; R212-V214 PolarHBondContact O-N 3.43Å; R212-V215 PolarHBondContact O-N 2.91Å; R212-E216 WeakPolarHBondContact O-CB 3.33Å; R212-E216 PolarHBondContact O-N 2.73Å |
| 213 | D | 98.3 | Very high | 98 | Very high | 99 Ų | 99 | 105.4 Ų | 105.4 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 179.1 | -65.8 | -17.2 | 0 | 0 | 0 | 110.8 | R209 N210 E216 D217 | R209-D213 VanDerWaalsContact O-CG 3.29Å; R209-D213 PolarHBondContact O-N 2.89Å; N210-D213 PolarHBondContact O-N 2.91Å; D213-E216 PolarHBondContact O-N 2.87Å; D213-D217 WeakPolarHBondContact O-CB 3.36Å; D213-D217 PolarHBondContact O-N 3.48Å |
| 214 | V | 98.3 | Very high | 97.9 | Very high | 73 Ų | 73 | 103.1 Ų | 103.1 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | N210 V211 R212 E216 D217 Y218 | N210-V214 VanDerWaalsContact O-CG2 3.29Å; N210-V214 WeakPolarHBondContact O-CG2 3.3Å; N210-V214 PolarHBondContact O-N 2.87Å; V211-V214 PolarHBondContact O-N 2.85Å; R212-V214 VanDerWaalsContact C-N 3.31Å; R212-V214 PolarHBondContact O-N 3.43Å; V214-E216 VanDerWaalsContact C-N 3.29Å; V214-E216 PolarHBondContact O-N 2.88Å; V214-D217 PolarHBondContact O-N 3.31Å; V214-Y218 HydrophobicContact CG1-CD2 3.64Å; V214-Y218 HydrophobicContact CG1-CE2 3.41Å; V214-Y218 VanDerWaalsContact CG1-CE2 3.41Å; V214-Y218 WeakPolarHBondContact O-CD2 3.28Å; V214-Y218 PolarHBondContact O-N 3.09Å |
| 215 | V | 98.3 | Very high | 97.9 | Very high | 78 Ų | 78 | 104 Ų | 104 | 47% | 0.473 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 176 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | V211 R212 Y218 K219 | V211-V215 HydrophobicContact CG1-CG2 4.41Å; V211-V215 VanDerWaalsContact O-CG2 3.27Å; V211-V215 WeakPolarHBondContact O-CG2 3.5Å; V211-V215 PolarHBondContact O-N 2.88Å; R212-V215 PolarHBondContact O-N 2.91Å; V215-Y218 PolarHBondContact O-N 3.45Å; V215-K219 WeakPolarHBondContact O-CB 3.44Å; V215-K219 PolarHBondContact O-N 3.38Å |
| 216 | E | 97.8 | Very high | 97.9 | Very high | 108 Ų | 108 | 105.3 Ų | 105.3 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.8 | -37.9 | -179.2 | -99.2 | 53.2 | 152.9 | 0 | 0 | 111.3 | R212 D213 V214 K219 K220 | R212-E216 WeakPolarHBondContact O-CB 3.33Å; R212-E216 PolarHBondContact O-N 2.73Å; D213-E216 PolarHBondContact O-N 2.87Å; V214-E216 VanDerWaalsContact C-N 3.29Å; V214-E216 PolarHBondContact O-N 2.88Å; E216-K219 PolarHBondContact O-N 3.34Å; E216-K220 WeakPolarHBondContact O-CB 3.36Å; E216-K220 PolarHBondContact O-N 2.92Å |
| 217 | D | 98.1 | Very high | 97.8 | Very high | 103 Ų | 103 | 108.6 Ų | 108.6 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.7 | -46.9 | 170.3 | -80.5 | -17.6 | 0 | 0 | 0 | 111.4 | D213 V214 K220 R221 | D213-D217 WeakPolarHBondContact O-CB 3.36Å; D213-D217 PolarHBondContact O-N 3.48Å; V214-D217 PolarHBondContact O-N 3.31Å; D217-K220 PolarHBondContact O-N 3.46Å; D217-R221 VanDerWaalsContact O-CG 3.23Å; D217-R221 WeakPolarHBondContact O-CG 3.5Å; D217-R221 PolarHBondContact O-N 3.25Å |
| 218 | Y | 97.7 | Very high | 97.8 | Very high | 141 Ų | 141 | 110.2 Ų | 110.2 | 55% | 0.553 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 176 | -81.6 | -60.8 | 0 | 0 | 0 | 111.8 | V214 V215 K220 R221 Y222 | V214-Y218 HydrophobicContact CG1-CD2 3.64Å; V214-Y218 HydrophobicContact CG1-CE2 3.41Å; V214-Y218 VanDerWaalsContact CG1-CE2 3.41Å; V214-Y218 WeakPolarHBondContact O-CD2 3.28Å; V214-Y218 PolarHBondContact O-N 3.09Å; V215-Y218 PolarHBondContact O-N 3.45Å; Y218-K220 VanDerWaalsContact C-N 3.32Å; Y218-K220 PolarHBondContact O-N 3.42Å; Y218-R221 WeakPolarHBondContact O-CB 3.31Å; Y218-R221 PolarHBondContact O-N 3.15Å; Y218-R221 VanDerWaalsContact O-N 3.16Å; Y218-Y222 WeakPolarHBondContact O-CD2 3.3Å; Y218-Y222 PolarHBondContact O-N 2.91Å |
| 219 | K | 98.3 | Very high | 97.8 | Very high | 118 Ų | 118 | 115.4 Ų | 115.4 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.1 | -47.1 | 176 | -177.5 | -177.7 | 173.9 | -173.1 | 0 | 111.1 | V215 E216 R221 Y222 E223 | V215-K219 WeakPolarHBondContact O-CB 3.44Å; V215-K219 PolarHBondContact O-N 3.38Å; E216-K219 PolarHBondContact O-N 3.34Å; K219-R221 VanDerWaalsContact C-N 3.35Å; K219-R221 PolarHBondContact O-N 3.48Å; K219-Y222 PolarHBondContact O-N 2.88Å; K219-E223 WeakPolarHBondContact CE-OE1 3.27Å; K219-E223 WeakPolarHBondContact O-CG 3.45Å; K219-E223 PolarHBondContact O-N 2.86Å |
| 220 | K | 97.8 | Very high | 97.7 | Very high | 125 Ų | 125 | 111.9 Ų | 111.9 | 54% | 0.543 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 175.8 | -176 | -178.4 | 176.9 | -176.5 | 0 | 111.8 | E216 D217 Y218 Y222 E223 E224 | E216-K220 WeakPolarHBondContact O-CB 3.36Å; E216-K220 PolarHBondContact O-N 2.92Å; D217-K220 PolarHBondContact O-N 3.46Å; Y218-K220 VanDerWaalsContact C-N 3.32Å; Y218-K220 PolarHBondContact O-N 3.42Å; K220-Y222 VanDerWaalsContact C-N 3.33Å; K220-Y222 PolarHBondContact O-N 3.5Å; K220-E223 PolarHBondContact O-N 2.83Å; K220-E224 VanDerWaalsContact CE-OE1 3.29Å; K220-E224 WeakPolarHBondContact CE-OE1 3.32Å; K220-E224 WeakPolarHBondContact O-CB 3.36Å; K220-E224 WeakPolarHBondContact O-CG 3.34Å; K220-E224 PolarHBondContact O-N 3.32Å |
| 221 | R | 98.1 | Very high | 97.7 | Very high | 168 Ų | 168 | 109.7 Ų | 109.7 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.1 | -40.7 | 175.5 | -67.8 | -69.9 | -172.8 | 172.2 | 3.9 | 112.1 | D217 Y218 K219 E224 E225 | D217-R221 VanDerWaalsContact O-CG 3.23Å; D217-R221 WeakPolarHBondContact O-CG 3.5Å; D217-R221 PolarHBondContact O-N 3.25Å; Y218-R221 WeakPolarHBondContact O-CB 3.31Å; Y218-R221 PolarHBondContact O-N 3.15Å; Y218-R221 VanDerWaalsContact O-N 3.16Å; K219-R221 VanDerWaalsContact C-N 3.35Å; K219-R221 PolarHBondContact O-N 3.48Å; R221-E224 PolarHBondContact O-N 3.48Å; R221-E225 WeakPolarHBondContact O-CB 3.28Å; R221-E225 PolarHBondContact O-N 3.41Å |
| 222 | Y | 97.8 | Very high | 97.6 | Very high | 156 Ų | 156 | 107.9 Ų | 107.9 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -43.1 | 175.9 | -77 | -63.2 | 0 | 0 | 0 | 112 | Y218 K219 K220 E225 I226 | Y218-Y222 WeakPolarHBondContact O-CD2 3.3Å; Y218-Y222 PolarHBondContact O-N 2.91Å; K219-Y222 PolarHBondContact O-N 2.88Å; K220-Y222 VanDerWaalsContact C-N 3.33Å; K220-Y222 PolarHBondContact O-N 3.5Å; Y222-E225 PolarHBondContact O-N 3.38Å; Y222-I226 WeakPolarHBondContact O-CB 3.32Å; Y222-I226 VanDerWaalsContact O-CG1 3.25Å; Y222-I226 WeakPolarHBondContact O-CG1 3.36Å; Y222-I226 PolarHBondContact O-N 3.12Å |
| 223 | E | 97.6 | Very high | 97.5 | Very high | 98 Ų | 98 | 106.1 Ų | 106.1 | 46% | 0.458 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 174.9 | -72.1 | 173.5 | -173.8 | 0 | 0 | 111.5 | K219 K220 E225 I226 N227 | K219-E223 WeakPolarHBondContact CE-OE1 3.27Å; K219-E223 WeakPolarHBondContact O-CG 3.45Å; K219-E223 PolarHBondContact O-N 2.86Å; K220-E223 PolarHBondContact O-N 2.83Å; E223-E225 VanDerWaalsContact C-N 3.35Å; E223-E225 PolarHBondContact O-N 3.44Å; E223-I226 PolarHBondContact O-N 3.4Å; E223-N227 WeakPolarHBondContact O-CB 3.41Å; E223-N227 PolarHBondContact O-N 3.11Å; E223-N227 PolarHBondContact O-ND2 2.96Å |
| 224 | E | 96.6 | Very high | 97.5 | Very high | 64 Ų | 64 | 105.9 Ų | 105.9 | 30% | 0.299 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 173.7 | -74.6 | 173.3 | -170 | 0 | 0 | 112.1 | K220 R221 N227 K228 | K220-E224 VanDerWaalsContact CE-OE1 3.29Å; K220-E224 WeakPolarHBondContact CE-OE1 3.32Å; K220-E224 WeakPolarHBondContact O-CB 3.36Å; K220-E224 WeakPolarHBondContact O-CG 3.34Å; K220-E224 PolarHBondContact O-N 3.32Å; R221-E224 PolarHBondContact O-N 3.48Å; E224-N227 PolarHBondContact O-N 3.45Å; E224-K228 WeakPolarHBondContact O-CG 3.47Å; E224-K228 PolarHBondContact O-N 2.91Å |
| 225 | E | 97.8 | Very high | 97.5 | Very high | 110 Ų | 110 | 109 Ų | 109 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.1 | -38.1 | -179.4 | -162.9 | 59.7 | -151.3 | 0 | 0 | 112.2 | R221 Y222 E223 N227 K228 R229 | R221-E225 WeakPolarHBondContact O-CB 3.28Å; R221-E225 PolarHBondContact O-N 3.41Å; Y222-E225 PolarHBondContact O-N 3.38Å; E223-E225 VanDerWaalsContact C-N 3.35Å; E223-E225 PolarHBondContact O-N 3.44Å; E225-N227 VanDerWaalsContact C-N 3.32Å; E225-N227 PolarHBondContact O-N 2.88Å; E225-K228 PolarHBondContact O-N 2.83Å; E225-K228 IonicContact OE2-NZ 2.74Å; E225-R229 WeakPolarHBondContact O-CB 3.48Å; E225-R229 PolarHBondContact O-N 3.4Å |
| 226 | I | 97.4 | Very high | 97.4 | Very high | 101 Ų | 101 | 111.8 Ų | 111.8 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 171.6 | -71.7 | 166.3 | 0 | 0 | 0 | 110.1 | Y222 E223 R229 T230 | Y222-I226 WeakPolarHBondContact O-CB 3.32Å; Y222-I226 VanDerWaalsContact O-CG1 3.25Å; Y222-I226 WeakPolarHBondContact O-CG1 3.36Å; Y222-I226 PolarHBondContact O-N 3.12Å; E223-I226 PolarHBondContact O-N 3.4Å; I226-R229 PolarHBondContact O-N 3.11Å; I226-T230 WeakPolarHBondContact O-CB 3.39Å; I226-T230 PolarHBondContact O-N 2.92Å; I226-T230 PolarHBondContact O-OG1 3.12Å |
| 227 | N | 96.8 | Very high | 97.5 | Very high | 109 Ų | 109 | 109.8 Ų | 109.8 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.2 | -43.8 | 178.4 | -71.9 | -23.7 | 0 | 0 | 0 | 111.6 | E223 E224 E225 T230 A231 | E223-N227 WeakPolarHBondContact O-CB 3.41Å; E223-N227 PolarHBondContact O-N 3.11Å; E223-N227 PolarHBondContact O-ND2 2.96Å; E224-N227 PolarHBondContact O-N 3.45Å; E225-N227 VanDerWaalsContact C-N 3.32Å; E225-N227 PolarHBondContact O-N 2.88Å; N227-T230 PolarHBondContact O-N 3.03Å; N227-A231 WeakPolarHBondContact O-CB 3.34Å; N227-A231 PolarHBondContact O-N 3.16Å |
| 228 | K | 97.7 | Very high | 97.5 | Very high | 120 Ų | 120 | 109.6 Ų | 109.6 | 52% | 0.522 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 174.8 | -73.4 | 173.2 | -167.6 | 164.5 | 0 | 112.1 | E224 E225 T230 A231 A232 | E224-K228 WeakPolarHBondContact O-CG 3.47Å; E224-K228 PolarHBondContact O-N 2.91Å; E225-K228 PolarHBondContact O-N 2.83Å; E225-K228 IonicContact OE2-NZ 2.74Å; K228-T230 VanDerWaalsContact C-N 3.33Å; K228-T230 PolarHBondContact O-N 2.81Å; K228-A231 PolarHBondContact O-N 2.86Å; K228-A232 WeakPolarHBondContact O-CB 3.28Å; K228-A232 PolarHBondContact O-N 2.9Å |
| 229 | R | 97.9 | Very high | 97.5 | Very high | 182 Ų | 182 | 108 Ų | 108 | 69% | 0.687 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.3 | -46.4 | 175.6 | -177.6 | -172.5 | 175.3 | 105 | 2.5 | 110.9 | E225 I226 A231 A232 E233 | E225-R229 WeakPolarHBondContact O-CB 3.48Å; E225-R229 PolarHBondContact O-N 3.4Å; I226-R229 PolarHBondContact O-N 3.11Å; R229-A231 VanDerWaalsContact C-N 3.34Å; R229-A231 PolarHBondContact O-N 2.92Å; R229-A232 PolarHBondContact O-N 2.89Å; R229-E233 WeakPolarHBondContact O-CB 3.46Å; R229-E233 PolarHBondContact O-N 3.33Å |
| 230 | T | 96.3 | Very high | 97.5 | Very high | 63 Ų | 63 | 108.1 Ų | 108.1 | 39% | 0.387 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 179.2 | -54 | 0 | 0 | 0 | 0 | 111.1 | I226 N227 K228 E233 N234 | I226-T230 WeakPolarHBondContact O-CB 3.39Å; I226-T230 PolarHBondContact O-N 2.92Å; I226-T230 PolarHBondContact O-OG1 3.12Å; N227-T230 PolarHBondContact O-N 3.03Å; K228-T230 VanDerWaalsContact C-N 3.33Å; K228-T230 PolarHBondContact O-N 2.81Å; T230-E233 PolarHBondContact O-N 3.34Å; T230-N234 WeakPolarHBondContact O-CB 3.25Å; T230-N234 PolarHBondContact O-N 3.22Å; T230-N234 PolarHBondContact O-ND2 3.42Å; T230-N234 VanDerWaalsContact O-ND2 3.15Å |
| 231 | A | 96.9 | Very high | 97.5 | Very high | 47 Ų | 47 | 108.4 Ų | 108.4 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N227 K228 R229 E233 N234 E235 | N227-A231 WeakPolarHBondContact O-CB 3.34Å; N227-A231 PolarHBondContact O-N 3.16Å; K228-A231 PolarHBondContact O-N 2.86Å; R229-A231 VanDerWaalsContact C-N 3.34Å; R229-A231 PolarHBondContact O-N 2.92Å; A231-E233 VanDerWaalsContact C-N 3.33Å; A231-E233 PolarHBondContact O-N 3.31Å; A231-N234 WeakPolarHBondContact O-CB 3.42Å; A231-N234 PolarHBondContact O-N 3.45Å; A231-E235 WeakPolarHBondContact O-CG 3.37Å; A231-E235 PolarHBondContact O-N 3.46Å |
| 232 | A | 96 | Very high | 97.5 | Very high | 56 Ų | 56 | 105.5 Ų | 105.5 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | K228 R229 E235 F236 | K228-A232 WeakPolarHBondContact O-CB 3.28Å; K228-A232 PolarHBondContact O-N 2.9Å; R229-A232 PolarHBondContact O-N 2.89Å; A232-E235 PolarHBondContact O-N 3.44Å; A232-F236 WeakPolarHBondContact O-CB 3.49Å; A232-F236 PolarHBondContact O-N 3.34Å |
| 233 | E | 96.8 | Very high | 97.5 | Very high | 109 Ų | 109 | 102.2 Ų | 102.2 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 174.8 | -175.3 | 167.9 | -176.8 | 0 | 0 | 111.5 | R229 T230 A231 F236 V237 | R229-E233 WeakPolarHBondContact O-CB 3.46Å; R229-E233 PolarHBondContact O-N 3.33Å; T230-E233 PolarHBondContact O-N 3.34Å; A231-E233 VanDerWaalsContact C-N 3.33Å; A231-E233 PolarHBondContact O-N 3.31Å; E233-F236 PolarHBondContact O-N 3.27Å; E233-V237 VanDerWaalsContact O-CG2 3.32Å; E233-V237 WeakPolarHBondContact O-CG2 3.4Å; E233-V237 PolarHBondContact O-N 3.19Å |
| 234 | N | 97.2 | Very high | 97.5 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 173.5 | -72.1 | -29.9 | 0 | 0 | 0 | 111.8 | T230 A231 F236 V237 L238 | T230-N234 WeakPolarHBondContact O-CB 3.25Å; T230-N234 PolarHBondContact O-N 3.22Å; T230-N234 PolarHBondContact O-ND2 3.42Å; T230-N234 VanDerWaalsContact O-ND2 3.15Å; A231-N234 WeakPolarHBondContact O-CB 3.42Å; A231-N234 PolarHBondContact O-N 3.45Å; N234-F236 VanDerWaalsContact C-N 3.33Å; N234-F236 PolarHBondContact O-N 2.94Å; N234-V237 PolarHBondContact O-N 2.94Å; N234-L238 WeakPolarHBondContact O-CG 3.34Å; N234-L238 PolarHBondContact O-N 2.9Å |
| 235 | E | 98 | Very high | 97.6 | Very high | 137 Ų | 137 | 101.2 Ų | 101.2 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.9 | -42 | 174.5 | -74.3 | -177.5 | 176.4 | 0 | 0 | 111.8 | A231 A232 V237 L238 L239 | A231-E235 WeakPolarHBondContact O-CG 3.37Å; A231-E235 PolarHBondContact O-N 3.46Å; A232-E235 PolarHBondContact O-N 3.44Å; E235-V237 PolarHBondContact O-N 3.46Å; E235-L238 PolarHBondContact O-N 3.5Å; E235-L239 WeakPolarHBondContact O-CB 3.45Å; E235-L239 PolarHBondContact O-N 2.87Å |
| 236 | F | 97.9 | Very high | 97.6 | Very high | 138 Ų | 138 | 98.7 Ų | 98.7 | 61% | 0.605 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 175.5 | 178 | -97.9 | 0 | 0 | 0 | 112.1 | A232 E233 N234 L238 L239 K240 | A232-F236 WeakPolarHBondContact O-CB 3.49Å; A232-F236 PolarHBondContact O-N 3.34Å; E233-F236 PolarHBondContact O-N 3.27Å; N234-F236 VanDerWaalsContact C-N 3.33Å; N234-F236 PolarHBondContact O-N 2.94Å; F236-L238 VanDerWaalsContact C-N 3.35Å; F236-L239 PolarHBondContact O-N 3.31Å; F236-K240 WeakPolarHBondContact O-CB 3.48Å; F236-K240 PolarHBondContact O-N 3.48Å |
| 237 | V | 98.4 | Very high | 97.7 | Very high | 66 Ų | 66 | 101 Ų | 101 | 40% | 0.4 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.2 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | E233 N234 E235 K240 K241 | E233-V237 VanDerWaalsContact O-CG2 3.32Å; E233-V237 WeakPolarHBondContact O-CG2 3.4Å; E233-V237 PolarHBondContact O-N 3.19Å; N234-V237 PolarHBondContact O-N 2.94Å; E235-V237 PolarHBondContact O-N 3.46Å; V237-K240 PolarHBondContact O-N 2.9Å; V237-K241 WeakPolarHBondContact O-CG 3.5Å; V237-K241 PolarHBondContact O-N 3.47Å; V237-K241 VanDerWaalsContact O-N 3.1Å |
| 238 | L | 97.8 | Very high | 97.7 | Very high | 99 Ų | 99 | 98.5 Ų | 98.5 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 174.5 | -70.6 | 173.4 | 0 | 0 | 0 | 111.2 | N234 E235 F236 K240 K241 D242 | N234-L238 WeakPolarHBondContact O-CG 3.34Å; N234-L238 PolarHBondContact O-N 2.9Å; E235-L238 PolarHBondContact O-N 3.5Å; F236-L238 VanDerWaalsContact C-N 3.35Å; L238-K240 PolarHBondContact O-N 3.41Å; L238-K241 WeakPolarHBondContact O-CA 3.49Å; L238-K241 WeakPolarHBondContact O-CB 3.47Å; L238-K241 PolarHBondContact O-N 3.12Å; L238-D242 PolarHBondContact O-N 3.04Å |
| 239 | L | 97.9 | Very high | 97.7 | Very high | 107 Ų | 107 | 97.1 Ų | 97.1 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.7 | -38 | 178.3 | -172.8 | 64.6 | 0 | 0 | 0 | 111.6 | E235 F236 D242 V243 | E235-L239 WeakPolarHBondContact O-CB 3.45Å; E235-L239 PolarHBondContact O-N 2.87Å; F236-L239 PolarHBondContact O-N 3.31Å; L239-D242 PolarHBondContact O-N 2.99Å; L239-V243 VanDerWaalsContact O-CG2 3.28Å; L239-V243 WeakPolarHBondContact O-CG2 3.33Å; L239-V243 PolarHBondContact O-N 2.91Å |
| 240 | K | 98.2 | Very high | 97.7 | Very high | 120 Ų | 120 | 95 Ų | 95 | 52% | 0.522 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 173.9 | -173.9 | 179.2 | 178.7 | -177.8 | 0 | 111.9 | F236 V237 L238 D242 V243 D244 | F236-K240 WeakPolarHBondContact O-CB 3.48Å; F236-K240 PolarHBondContact O-N 3.48Å; V237-K240 PolarHBondContact O-N 2.9Å; L238-K240 PolarHBondContact O-N 3.41Å; K240-D242 VanDerWaalsContact C-N 3.3Å; K240-D242 PolarHBondContact O-N 3.4Å; K240-V243 PolarHBondContact O-N 2.9Å; K240-D244 VanDerWaalsContact O-CG 3.29Å; K240-D244 PolarHBondContact O-N 3.39Å |
| 241 | K | 98.3 | Very high | 97.9 | Very high | 132 Ų | 132 | 95.5 Ų | 95.5 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.5 | -41 | 175.1 | -73.7 | 178.3 | 174.2 | 179 | 0 | 111.8 | V237 L238 D244 A245 | V237-K241 WeakPolarHBondContact O-CG 3.5Å; V237-K241 PolarHBondContact O-N 3.47Å; V237-K241 VanDerWaalsContact O-N 3.1Å; L238-K241 WeakPolarHBondContact O-CA 3.49Å; L238-K241 WeakPolarHBondContact O-CB 3.47Å; L238-K241 PolarHBondContact O-N 3.12Å; K241-D244 PolarHBondContact O-N 2.94Å; K241-A245 WeakPolarHBondContact O-CB 3.34Å; K241-A245 PolarHBondContact O-N 3.41Å |
| 242 | D | 97.8 | Very high | 97.9 | Very high | 106 Ų | 106 | 97.9 Ų | 97.9 | 57% | 0.567 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.5 | -39.7 | 177.8 | -66.7 | -17.8 | 0 | 0 | 0 | 111.7 | L238 L239 K240 A245 A246 | L238-D242 PolarHBondContact O-N 3.04Å; L239-D242 PolarHBondContact O-N 2.99Å; K240-D242 VanDerWaalsContact C-N 3.3Å; K240-D242 PolarHBondContact O-N 3.4Å; D242-A245 PolarHBondContact O-N 2.92Å; D242-A246 VanDerWaalsContact O-CB 3.31Å; D242-A246 WeakPolarHBondContact O-CB 3.48Å; D242-A246 PolarHBondContact O-N 3.29Å |
| 243 | V | 98.4 | Very high | 98 | Very high | 87 Ų | 87 | 100.3 Ų | 100.3 | 53% | 0.527 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 173.3 | 169.5 | 0 | 0 | 0 | 0 | 111 | L239 K240 A245 A246 Y247 | L239-V243 VanDerWaalsContact O-CG2 3.28Å; L239-V243 WeakPolarHBondContact O-CG2 3.33Å; L239-V243 PolarHBondContact O-N 2.91Å; K240-V243 PolarHBondContact O-N 2.9Å; V243-A245 VanDerWaalsContact C-N 3.35Å; V243-A245 PolarHBondContact O-N 3.27Å; V243-A246 PolarHBondContact O-N 2.83Å; V243-Y247 WeakPolarHBondContact O-CB 3.47Å; V243-Y247 PolarHBondContact O-N 3.21Å |
| 244 | D | 98.3 | Very high | 98 | Very high | 92 Ų | 92 | 99.8 Ų | 99.8 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 177.7 | -70.3 | -24.4 | 0 | 0 | 0 | 111.1 | K240 K241 Y247 A248 | K240-D244 VanDerWaalsContact O-CG 3.29Å; K240-D244 PolarHBondContact O-N 3.39Å; K241-D244 PolarHBondContact O-N 2.94Å; D244-Y247 PolarHBondContact O-N 3.42Å; D244-A248 PolarHBondContact O-N 3.43Å |
| 245 | A | 97.9 | Very high | 98.1 | Very high | 49 Ų | 49 | 97.8 Ų | 97.8 | 41% | 0.405 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K241 D242 V243 Y247 A248 N249 | K241-A245 WeakPolarHBondContact O-CB 3.34Å; K241-A245 PolarHBondContact O-N 3.41Å; D242-A245 PolarHBondContact O-N 2.92Å; V243-A245 VanDerWaalsContact C-N 3.35Å; V243-A245 PolarHBondContact O-N 3.27Å; A245-Y247 VanDerWaalsContact C-N 3.3Å; A245-Y247 PolarHBondContact O-N 2.91Å; A245-A248 PolarHBondContact O-N 2.94Å; A245-N249 VanDerWaalsContact O-CG 3.32Å; A245-N249 PolarHBondContact O-N 2.95Å; A245-N249 PolarHBondContact O-ND2 3.47Å |
| 246 | A | 97.9 | Very high | 98.1 | Very high | 58 Ų | 58 | 96.2 Ų | 96.2 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D242 V243 K250 | D242-A246 VanDerWaalsContact O-CB 3.31Å; D242-A246 WeakPolarHBondContact O-CB 3.48Å; D242-A246 PolarHBondContact O-N 3.29Å; V243-A246 PolarHBondContact O-N 2.83Å; A246-K250 WeakPolarHBondContact O-CB 3.01Å; A246-K250 PolarHBondContact O-N 2.67Å |
| 247 | Y | 98.3 | Very high | 98.1 | Very high | 149 Ų | 149 | 93.9 Ų | 93.9 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67 | -43.5 | 175.3 | -172 | -94.4 | 0 | 0 | 0 | 111.8 | V243 D244 A245 N249 K250 V251 | V243-Y247 WeakPolarHBondContact O-CB 3.47Å; V243-Y247 PolarHBondContact O-N 3.21Å; D244-Y247 PolarHBondContact O-N 3.42Å; A245-Y247 VanDerWaalsContact C-N 3.3Å; A245-Y247 PolarHBondContact O-N 2.91Å; Y247-N249 PolarHBondContact O-N 3.33Å; Y247-K250 WeakPolarHBondContact O-CB 3.35Å; Y247-K250 PolarHBondContact O-N 3.38Å; Y247-V251 HydrophobicContact CD1-CG2 4.01Å; Y247-V251 HydrophobicContact CE1-CG2 3.61Å; Y247-V251 WeakPolarHBondContact O-CG2 3.41Å; Y247-V251 PolarHBondContact O-N 2.88Å |
| 248 | A | 98.1 | Very high | 98.1 | Very high | 56 Ų | 56 | 95.4 Ų | 95.4 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D244 A245 K250 V251 E252 | D244-A248 PolarHBondContact O-N 3.43Å; A245-A248 PolarHBondContact O-N 2.94Å; A248-K250 VanDerWaalsContact C-N 3.34Å; A248-K250 PolarHBondContact O-N 2.85Å; A248-V251 PolarHBondContact O-N 2.86Å; A248-E252 PolarHBondContact O-N 2.93Å |
| 249 | N | 98 | Very high | 98.1 | Very high | 92 Ų | 92 | 93.2 Ų | 93.2 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 175.3 | -71.3 | -23.5 | 0 | 0 | 0 | 112.1 | A245 Y247 V251 E252 L253 | A245-N249 VanDerWaalsContact O-CG 3.32Å; A245-N249 PolarHBondContact O-N 2.95Å; A245-N249 PolarHBondContact O-ND2 3.47Å; Y247-N249 PolarHBondContact O-N 3.33Å; N249-V251 VanDerWaalsContact C-N 3.35Å; N249-V251 PolarHBondContact O-N 3.09Å; N249-E252 PolarHBondContact O-N 3.01Å; N249-L253 WeakPolarHBondContact O-CB 3.43Å; N249-L253 WeakPolarHBondContact O-CG 3.41Å; N249-L253 PolarHBondContact O-N 3.01Å |
| 250 | K | 98.3 | Very high | 98.1 | Very high | 136 Ų | 136 | 93.6 Ų | 93.6 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.7 | -46.1 | 175.4 | 178.9 | -172.5 | 173.8 | -176.3 | 0 | 111.1 | A246 Y247 A248 L253 Q254 | A246-K250 WeakPolarHBondContact O-CB 3.01Å; A246-K250 PolarHBondContact O-N 2.67Å; Y247-K250 WeakPolarHBondContact O-CB 3.35Å; Y247-K250 PolarHBondContact O-N 3.38Å; A248-K250 VanDerWaalsContact C-N 3.34Å; A248-K250 PolarHBondContact O-N 2.85Å; K250-L253 PolarHBondContact O-N 3.04Å; K250-Q254 WeakPolarHBondContact O-CB 3.11Å; K250-Q254 PolarHBondContact O-N 2.69Å |
| 251 | V | 98.5 | Very high | 98.1 | Very high | 74 Ų | 74 | 91.1 Ų | 91.1 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | Y247 A248 N249 Q254 A255 | Y247-V251 HydrophobicContact CD1-CG2 4.01Å; Y247-V251 HydrophobicContact CE1-CG2 3.61Å; Y247-V251 WeakPolarHBondContact O-CG2 3.41Å; Y247-V251 PolarHBondContact O-N 2.88Å; A248-V251 PolarHBondContact O-N 2.86Å; N249-V251 VanDerWaalsContact C-N 3.35Å; N249-V251 PolarHBondContact O-N 3.09Å; V251-Q254 WeakPolarHBondContact O-CB 3.45Å; V251-Q254 PolarHBondContact O-N 3.37Å; V251-A255 PolarHBondContact O-N 3.15Å |
| 252 | E | 97.9 | Very high | 98.1 | Very high | 98 Ų | 98 | 91 Ų | 91 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 175.5 | -169.8 | -166.5 | 152.4 | 0 | 0 | 112 | A248 N249 Q254 A255 K256 | A248-E252 PolarHBondContact O-N 2.93Å; N249-E252 PolarHBondContact O-N 3.01Å; E252-Q254 VanDerWaalsContact C-N 3.34Å; E252-Q254 PolarHBondContact O-N 3.29Å; E252-A255 PolarHBondContact O-N 2.98Å; E252-K256 PolarHBondContact O-N 3.22Å; E252-K256 VanDerWaalsContact OE1-CE 3.24Å; E252-K256 WeakPolarHBondContact OE1-CE 3.32Å; E252-K256 IonicContact OE1-NZ 3.77Å; E252-K256 PolarHBondContact OE1-NZ 3.02Å |
| 253 | L | 97.8 | Very high | 98.1 | Very high | 107 Ų | 107 | 90.8 Ų | 90.8 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.4 | -40.2 | 176.2 | -72.3 | 173.5 | 0 | 0 | 0 | 111.8 | N249 K250 A255 K256 V257 | N249-L253 WeakPolarHBondContact O-CB 3.43Å; N249-L253 WeakPolarHBondContact O-CG 3.41Å; N249-L253 PolarHBondContact O-N 3.01Å; K250-L253 PolarHBondContact O-N 3.04Å; L253-A255 VanDerWaalsContact C-N 3.34Å; L253-A255 PolarHBondContact O-N 3.34Å; L253-K256 PolarHBondContact O-N 3.47Å; L253-V257 WeakPolarHBondContact O-CG2 3.42Å; L253-V257 PolarHBondContact O-N 3.39Å |
| 254 | Q | 97.9 | Very high | 98 | Very high | 97 Ų | 97 | 90.5 Ų | 90.5 | 45% | 0.453 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 175.2 | -175.9 | 65.4 | 28.2 | 0 | 0 | 111.2 | K250 V251 E252 K256 V257 E258 | K250-Q254 WeakPolarHBondContact O-CB 3.11Å; K250-Q254 PolarHBondContact O-N 2.69Å; V251-Q254 WeakPolarHBondContact O-CB 3.45Å; V251-Q254 PolarHBondContact O-N 3.37Å; E252-Q254 VanDerWaalsContact C-N 3.34Å; E252-Q254 PolarHBondContact O-N 3.29Å; Q254-K256 VanDerWaalsContact C-N 3.34Å; Q254-K256 PolarHBondContact O-N 2.89Å; Q254-V257 PolarHBondContact O-N 3.44Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.49Å; Q254-E258 PolarHBondContact NE2-OE1 2.83Å; Q254-E258 WeakPolarHBondContact O-CG 3.46Å; Q254-E258 PolarHBondContact O-N 3.11Å |
| 255 | A | 98 | Very high | 98 | Very high | 54 Ų | 54 | 91.6 Ų | 91.6 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V251 E252 L253 E258 S259 | V251-A255 PolarHBondContact O-N 3.15Å; E252-A255 PolarHBondContact O-N 2.98Å; L253-A255 VanDerWaalsContact C-N 3.34Å; L253-A255 PolarHBondContact O-N 3.34Å; A255-E258 PolarHBondContact O-N 2.88Å; A255-S259 WeakPolarHBondContact O-CB 3.38Å; A255-S259 PolarHBondContact O-N 3.22Å |
| 256 | K | 98 | Very high | 98 | Very high | 104 Ų | 104 | 95.2 Ų | 95.2 | 45% | 0.452 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 174 | -71.1 | 175.3 | -173.7 | 167.2 | 0 | 111.9 | E252 L253 Q254 S259 M260 | E252-K256 PolarHBondContact O-N 3.22Å; E252-K256 VanDerWaalsContact OE1-CE 3.24Å; E252-K256 WeakPolarHBondContact OE1-CE 3.32Å; E252-K256 IonicContact OE1-NZ 3.77Å; E252-K256 PolarHBondContact OE1-NZ 3.02Å; L253-K256 PolarHBondContact O-N 3.47Å; Q254-K256 VanDerWaalsContact C-N 3.34Å; Q254-K256 PolarHBondContact O-N 2.89Å; K256-S259 PolarHBondContact O-N 2.97Å; K256-M260 WeakPolarHBondContact O-CG 3.5Å; K256-M260 PolarHBondContact O-N 3.24Å |
| 257 | V | 98.4 | Very high | 98 | Very high | 89 Ų | 89 | 97.4 Ų | 97.4 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L253 Q254 M260 D261 | L253-V257 WeakPolarHBondContact O-CG2 3.42Å; L253-V257 PolarHBondContact O-N 3.39Å; Q254-V257 PolarHBondContact O-N 3.44Å; V257-M260 PolarHBondContact O-N 2.84Å; V257-D261 WeakPolarHBondContact O-CB 3.44Å; V257-D261 PolarHBondContact O-N 2.86Å |
| 258 | E | 98.1 | Very high | 98 | Very high | 98 Ų | 98 | 98.7 Ų | 98.7 | 46% | 0.458 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 177.3 | -73.4 | 172.2 | -163.6 | 0 | 0 | 112.4 | Q254 A255 D261 Q262 | Q254-E258 WeakPolarHBondContact CG-OE1 3.49Å; Q254-E258 PolarHBondContact NE2-OE1 2.83Å; Q254-E258 WeakPolarHBondContact O-CG 3.46Å; Q254-E258 PolarHBondContact O-N 3.11Å; A255-E258 PolarHBondContact O-N 2.88Å; E258-D261 PolarHBondContact O-N 3.4Å; E258-Q262 VanDerWaalsContact O-CG 3.28Å; E258-Q262 WeakPolarHBondContact O-CG 3.21Å; E258-Q262 PolarHBondContact O-N 2.85Å |
| 259 | S | 98.2 | Very high | 97.9 | Very high | 52 Ų | 52 | 100 Ų | 100 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -48.8 | 172.8 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | A255 K256 D261 Q262 E263 | A255-S259 WeakPolarHBondContact O-CB 3.38Å; A255-S259 PolarHBondContact O-N 3.22Å; K256-S259 PolarHBondContact O-N 2.97Å; S259-D261 VanDerWaalsContact C-N 3.32Å; S259-D261 PolarHBondContact O-N 3.46Å; S259-Q262 WeakPolarHBondContact O-CB 3.19Å; S259-Q262 PolarHBondContact O-N 3.28Å; S259-E263 WeakPolarHBondContact O-CG 3.27Å; S259-E263 PolarHBondContact O-N 3.35Å |
| 260 | M | 97.9 | Very high | 97.9 | Very high | 116 Ų | 116 | 99.2 Ų | 99.2 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -37.2 | 178 | -69.6 | -178.4 | 75.8 | 0 | 0 | 112.1 | K256 V257 E263 I264 | K256-M260 WeakPolarHBondContact O-CG 3.5Å; K256-M260 PolarHBondContact O-N 3.24Å; V257-M260 PolarHBondContact O-N 2.84Å; M260-E263 PolarHBondContact O-N 2.87Å; M260-I264 VanDerWaalsContact O-CG1 3.25Å; M260-I264 WeakPolarHBondContact O-CG1 3.46Å; M260-I264 PolarHBondContact O-N 3.15Å |
| 261 | D | 98.1 | Very high | 97.8 | Very high | 68 Ų | 68 | 98 Ų | 98 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 175.1 | -177.1 | 63.1 | 0 | 0 | 0 | 111.8 | V257 E258 S259 I264 K265 | V257-D261 WeakPolarHBondContact O-CB 3.44Å; V257-D261 PolarHBondContact O-N 2.86Å; E258-D261 PolarHBondContact O-N 3.4Å; S259-D261 VanDerWaalsContact C-N 3.32Å; S259-D261 PolarHBondContact O-N 3.46Å; D261-I264 PolarHBondContact O-N 3.41Å; D261-K265 WeakPolarHBondContact O-CB 3.39Å; D261-K265 VanDerWaalsContact O-CG 3.29Å; D261-K265 WeakPolarHBondContact O-CG 3.45Å; D261-K265 PolarHBondContact O-N 2.72Å; D261-K265 WeakPolarHBondContact OD2-CE 3.42Å; D261-K265 IonicContact OD2-NZ 2.63Å; D261-K265 PolarHBondContact OD2-NZ 2.97Å |
| 262 | Q | 97.9 | Very high | 97.8 | Very high | 129 Ų | 129 | 100.8 Ų | 100.8 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 172.5 | -72.1 | 172.6 | 20.6 | 0 | 0 | 111.9 | E258 S259 K265 F266 | E258-Q262 VanDerWaalsContact O-CG 3.28Å; E258-Q262 WeakPolarHBondContact O-CG 3.21Å; E258-Q262 PolarHBondContact O-N 2.85Å; S259-Q262 WeakPolarHBondContact O-CB 3.19Å; S259-Q262 PolarHBondContact O-N 3.28Å; Q262-K265 PolarHBondContact O-N 3.38Å; Q262-F266 WeakPolarHBondContact O-CB 3.27Å; Q262-F266 PolarHBondContact O-N 3.37Å |
| 263 | E | 97.8 | Very high | 97.6 | Very high | 101 Ų | 101 | 98.6 Ų | 98.6 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 174.6 | -73.1 | 172 | -153.8 | 0 | 0 | 111.7 | S259 M260 K265 F266 F267 | S259-E263 WeakPolarHBondContact O-CG 3.27Å; S259-E263 PolarHBondContact O-N 3.35Å; M260-E263 PolarHBondContact O-N 2.87Å; E263-K265 VanDerWaalsContact C-N 3.34Å; E263-K265 PolarHBondContact O-N 3.43Å; E263-F266 WeakPolarHBondContact O-CB 3.34Å; E263-F266 PolarHBondContact O-N 3.21Å; E263-F267 HydrophobicContact CB-CE2 4.4Å; E263-F267 WeakPolarHBondContact O-CD2 3.29Å; E263-F267 PolarHBondContact O-N 3.25Å |
| 264 | I | 97.6 | Very high | 97.5 | Very high | 82 Ų | 82 | 98 Ų | 98 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 176.2 | -71.2 | 165.5 | 0 | 0 | 0 | 110.8 | M260 D261 F266 F267 R268 | M260-I264 VanDerWaalsContact O-CG1 3.25Å; M260-I264 WeakPolarHBondContact O-CG1 3.46Å; M260-I264 PolarHBondContact O-N 3.15Å; D261-I264 PolarHBondContact O-N 3.41Å; I264-F266 VanDerWaalsContact C-N 3.34Å; I264-F267 PolarHBondContact O-N 3.45Å; I264-R268 WeakPolarHBondContact O-CG 3.31Å; I264-R268 PolarHBondContact O-N 3.46Å |
| 265 | K | 97.9 | Very high | 97.3 | Very high | 114 Ų | 114 | 98.5 Ų | 98.5 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 176.6 | -76.3 | 167.5 | 177.2 | 164.8 | 0 | 111.4 | D261 Q262 E263 R268 C269 | D261-K265 WeakPolarHBondContact O-CB 3.39Å; D261-K265 VanDerWaalsContact O-CG 3.29Å; D261-K265 WeakPolarHBondContact O-CG 3.45Å; D261-K265 PolarHBondContact O-N 2.72Å; D261-K265 WeakPolarHBondContact OD2-CE 3.42Å; D261-K265 IonicContact OD2-NZ 2.63Å; D261-K265 PolarHBondContact OD2-NZ 2.97Å; Q262-K265 PolarHBondContact O-N 3.38Å; E263-K265 VanDerWaalsContact C-N 3.34Å; E263-K265 PolarHBondContact O-N 3.43Å; K265-R268 PolarHBondContact O-N 2.91Å; K265-C269 PolarHBondContact O-N 3.47Å; K265-C269 PolarHBondContact O-SG 3.46Å; K265-C269 VanDerWaalsContact O-SG 3.38Å |
| 266 | F | 98.2 | Very high | 97.1 | Very high | 125 Ų | 125 | 99.8 Ų | 99.8 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.6 | -50.1 | 175.4 | 173 | -99.6 | 0 | 0 | 0 | 111.7 | Q262 E263 I264 R268 C269 L270 | Q262-F266 WeakPolarHBondContact O-CB 3.27Å; Q262-F266 PolarHBondContact O-N 3.37Å; E263-F266 WeakPolarHBondContact O-CB 3.34Å; E263-F266 PolarHBondContact O-N 3.21Å; I264-F266 VanDerWaalsContact C-N 3.34Å; F266-R268 VanDerWaalsContact C-N 3.33Å; F266-R268 PolarHBondContact O-N 3.31Å; F266-C269 PolarHBondContact O-N 3.07Å; F266-L270 HydrophobicContact CE1-CD1 3.99Å; F266-L270 HydrophobicContact CZ-CD1 3.84Å; F266-L270 WeakPolarHBondContact O-CB 3.49Å; F266-L270 PolarHBondContact O-N 3.39Å |
| 267 | F | 97.8 | Very high | 96.8 | Very high | 104 Ų | 104 | 101.2 Ų | 101.2 | 46% | 0.456 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 177.6 | -72.3 | -56.6 | 0 | 0 | 0 | 112.6 | E263 I264 L270 F271 | E263-F267 HydrophobicContact CB-CE2 4.4Å; E263-F267 WeakPolarHBondContact O-CD2 3.29Å; E263-F267 PolarHBondContact O-N 3.25Å; I264-F267 PolarHBondContact O-N 3.45Å; F267-L270 PolarHBondContact O-N 3.46Å; F267-F271 HydrophobicContact CB-CD2 4.44Å; F267-F271 HydrophobicContact CB-CE2 4.14Å; F267-F271 WeakPolarHBondContact O-CD2 3.48Å; F267-F271 WeakPolarHBondContact O-CG 3.23Å; F267-F271 PolarHBondContact O-N 2.94Å |
| 268 | R | 97.5 | Very high | 96.5 | Very high | 177 Ų | 177 | 101.1 Ų | 101.1 | 67% | 0.668 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -48.2 | 174.8 | -75.6 | 179.4 | 179.2 | -176.3 | 1.7 | 111.9 | I264 K265 F266 L270 F271 E272 | I264-R268 WeakPolarHBondContact O-CG 3.31Å; I264-R268 PolarHBondContact O-N 3.46Å; K265-R268 PolarHBondContact O-N 2.91Å; F266-R268 VanDerWaalsContact C-N 3.33Å; F266-R268 PolarHBondContact O-N 3.31Å; R268-L270 VanDerWaalsContact C-N 3.32Å; R268-L270 PolarHBondContact O-N 3.43Å; R268-F271 PolarHBondContact O-N 3.4Å; R268-E272 WeakPolarHBondContact O-CB 3.41Å; R268-E272 PolarHBondContact O-N 2.77Å |
| 269 | C | 96.9 | Very high | 96.1 | Very high | 83 Ų | 83 | 102.4 Ų | 102.4 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -39 | 177.2 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | K265 F266 E272 A273 | K265-C269 PolarHBondContact O-N 3.47Å; K265-C269 PolarHBondContact O-SG 3.46Å; K265-C269 VanDerWaalsContact O-SG 3.38Å; F266-C269 PolarHBondContact O-N 3.07Å; C269-E272 PolarHBondContact O-N 2.87Å; C269-A273 WeakPolarHBondContact O-CB 3.46Å; C269-A273 PolarHBondContact O-N 2.85Å |
| 270 | L | 97.3 | Very high | 95.5 | Very high | 75 Ų | 75 | 102.5 Ų | 102.5 | 39% | 0.393 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -48.5 | 177.8 | -175.1 | 142.3 | 0 | 0 | 0 | 111.4 | F266 F267 R268 E272 A273 E274 | F266-L270 HydrophobicContact CE1-CD1 3.99Å; F266-L270 HydrophobicContact CZ-CD1 3.84Å; F266-L270 WeakPolarHBondContact O-CB 3.49Å; F266-L270 PolarHBondContact O-N 3.39Å; F267-L270 PolarHBondContact O-N 3.46Å; R268-L270 VanDerWaalsContact C-N 3.32Å; R268-L270 PolarHBondContact O-N 3.43Å; L270-E272 VanDerWaalsContact C-N 3.35Å; L270-E272 PolarHBondContact O-N 3.31Å; L270-A273 PolarHBondContact O-N 3Å; L270-E274 WeakPolarHBondContact O-CB 3.29Å; L270-E274 PolarHBondContact O-N 3.38Å |
| 271 | F | 96.7 | Very high | 94.9 | Very high | 111 Ų | 111 | 102.2 Ų | 102.2 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 177.5 | -67.5 | -45.8 | 0 | 0 | 0 | 112.4 | F267 R268 E274 I275 | F267-F271 HydrophobicContact CB-CD2 4.44Å; F267-F271 HydrophobicContact CB-CE2 4.14Å; F267-F271 WeakPolarHBondContact O-CD2 3.48Å; F267-F271 WeakPolarHBondContact O-CG 3.23Å; F267-F271 PolarHBondContact O-N 2.94Å; R268-F271 PolarHBondContact O-N 3.4Å; F271-E274 PolarHBondContact O-N 3.35Å; F271-I275 WeakPolarHBondContact O-CB 3.29Å; F271-I275 WeakPolarHBondContact O-CD1 3.45Å; F271-I275 WeakPolarHBondContact O-CG1 3.35Å; F271-I275 PolarHBondContact O-N 3.44Å |
| 272 | E | 97.1 | Very high | 94 | Very high | 133 Ų | 133 | 104 Ų | 104 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 175.1 | -171.1 | 159.4 | -153.6 | 0 | 0 | 111.4 | R268 C269 L270 I275 T276 | R268-E272 WeakPolarHBondContact O-CB 3.41Å; R268-E272 PolarHBondContact O-N 2.77Å; C269-E272 PolarHBondContact O-N 2.87Å; L270-E272 VanDerWaalsContact C-N 3.35Å; L270-E272 PolarHBondContact O-N 3.31Å; E272-I275 PolarHBondContact O-N 2.92Å; E272-T276 WeakPolarHBondContact O-CG2 3.21Å; E272-T276 PolarHBondContact O-N 3.38Å; E272-T276 PolarHBondContact O-OG1 2.96Å |
| 273 | A | 95.1 | Very high | 93 | Very high | 52 Ų | 52 | 101 Ų | 101 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C269 L270 I275 T276 Q277 | C269-A273 WeakPolarHBondContact O-CB 3.46Å; C269-A273 PolarHBondContact O-N 2.85Å; L270-A273 PolarHBondContact O-N 3Å; A273-I275 VanDerWaalsContact C-N 3.34Å; A273-I275 PolarHBondContact O-N 3.21Å; A273-T276 WeakPolarHBondContact CA-OG1 3.44Å; A273-T276 PolarHBondContact O-N 3.41Å; A273-T276 VanDerWaalsContact O-N 3.17Å; A273-T276 PolarHBondContact O-OG1 2.93Å; A273-Q277 PolarHBondContact O-N 3.2Å |
| 274 | E | 95.2 | Very high | 91.4 | Very high | 93 Ų | 93 | 100.7 Ų | 100.7 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 177.1 | -173.8 | 175.9 | -160.9 | 0 | 0 | 111.7 | L270 F271 T276 Q277 I278 | L270-E274 WeakPolarHBondContact O-CB 3.29Å; L270-E274 PolarHBondContact O-N 3.38Å; F271-E274 PolarHBondContact O-N 3.35Å; E274-T276 PolarHBondContact O-N 3.44Å; E274-Q277 PolarHBondContact O-N 3.41Å; E274-I278 HydrophobicContact CG-CD1 4.01Å; E274-I278 WeakPolarHBondContact O-CG1 3.46Å; E274-I278 PolarHBondContact O-N 3.49Å |
| 275 | I | 94.1 | Very high | 89.7 | Confident | 108 Ų | 108 | 101.6 Ų | 101.6 | 55% | 0.554 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.2 | -46.6 | 173.9 | -71 | 164.9 | 0 | 0 | 0 | 110.5 | F271 E272 A273 Q277 I278 Q279 | F271-I275 WeakPolarHBondContact O-CB 3.29Å; F271-I275 WeakPolarHBondContact O-CD1 3.45Å; F271-I275 WeakPolarHBondContact O-CG1 3.35Å; F271-I275 PolarHBondContact O-N 3.44Å; E272-I275 PolarHBondContact O-N 2.92Å; A273-I275 VanDerWaalsContact C-N 3.34Å; A273-I275 PolarHBondContact O-N 3.21Å; I275-Q277 VanDerWaalsContact C-N 3.33Å; I275-Q277 PolarHBondContact O-N 2.8Å; I275-I278 PolarHBondContact O-N 3.07Å; I275-Q279 VanDerWaalsContact O-CB 3.3Å; I275-Q279 WeakPolarHBondContact O-CB 3.34Å; I275-Q279 PolarHBondContact O-N 3.23Å |
| 276 | T | 93.4 | Very high | 87.5 | Confident | 82 Ų | 82 | 100.7 Ų | 100.7 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | 178.5 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | E272 A273 E274 Q279 S280 | E272-T276 WeakPolarHBondContact O-CG2 3.21Å; E272-T276 PolarHBondContact O-N 3.38Å; E272-T276 PolarHBondContact O-OG1 2.96Å; A273-T276 WeakPolarHBondContact CA-OG1 3.44Å; A273-T276 PolarHBondContact O-N 3.41Å; A273-T276 VanDerWaalsContact O-N 3.17Å; A273-T276 PolarHBondContact O-OG1 2.93Å; E274-T276 PolarHBondContact O-N 3.44Å; T276-Q279 PolarHBondContact O-N 2.91Å; T276-S280 PolarHBondContact O-N 3.24Å |
| 277 | Q | 91.9 | Very high | 85.3 | Confident | 133 Ų | 133 | 100.3 Ų | 100.3 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.3 | -43 | 176.2 | -178.2 | -177 | -1.6 | 0 | 0 | 111.9 | A273 E274 I275 Q279 S280 H281 | A273-Q277 PolarHBondContact O-N 3.2Å; E274-Q277 PolarHBondContact O-N 3.41Å; I275-Q277 VanDerWaalsContact C-N 3.33Å; I275-Q277 PolarHBondContact O-N 2.8Å; Q277-Q279 VanDerWaalsContact C-N 3.29Å; Q277-Q279 PolarHBondContact O-N 3.31Å; Q277-S280 PolarHBondContact O-N 3.05Å; Q277-S280 PolarHBondContact O-OG 3.04Å; Q277-H281 WeakPolarHBondContact O-CB 3.34Å; Q277-H281 PolarHBondContact O-N 2.99Å |
| 278 | I | 92 | Very high | 83.1 | Confident | 88 Ų | 88 | 101 Ų | 101 | 45% | 0.451 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 175.6 | -69 | 169.5 | 0 | 0 | 0 | 109.6 | E274 I275 S280 H281 I282 | E274-I278 HydrophobicContact CG-CD1 4.01Å; E274-I278 WeakPolarHBondContact O-CG1 3.46Å; E274-I278 PolarHBondContact O-N 3.49Å; I275-I278 PolarHBondContact O-N 3.07Å; I278-S280 VanDerWaalsContact C-N 3.34Å; I278-S280 PolarHBondContact O-N 2.66Å; I278-H281 PolarHBondContact O-N 3.42Å; I278-I282 HydrophobicContact CG2-CD1 3.75Å; I278-I282 HydrophobicContact CG2-CG1 4.34Å; I278-I282 WeakPolarHBondContact O-CB 3.43Å; I278-I282 VanDerWaalsContact O-CG1 3.26Å; I278-I282 WeakPolarHBondContact O-CG1 3.36Å; I278-I282 PolarHBondContact O-N 2.87Å |
| 279 | Q | 89.3 | Confident | 80.7 | Confident | 125 Ų | 125 | 100 Ų | 100 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.8 | -36.8 | 177.5 | -167.6 | 167.1 | 2 | 0 | 0 | 112.3 | I275 T276 Q277 S283 | I275-Q279 VanDerWaalsContact O-CB 3.3Å; I275-Q279 WeakPolarHBondContact O-CB 3.34Å; I275-Q279 PolarHBondContact O-N 3.23Å; T276-Q279 PolarHBondContact O-N 2.91Å; Q277-Q279 VanDerWaalsContact C-N 3.29Å; Q277-Q279 PolarHBondContact O-N 3.31Å; Q279-S283 WeakPolarHBondContact O-CB 3.39Å; Q279-S283 PolarHBondContact O-N 3.44Å; Q279-S283 VanDerWaalsContact O-N 3.13Å; Q279-S283 PolarHBondContact O-OG 3.42Å |
| 280 | S | 85.8 | Confident | 78.5 | Confident | 54 Ų | 54 | 100.7 Ų | 100.7 | 38% | 0.378 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.6 | -46.4 | 171.5 | 77.5 | 0 | 0 | 0 | 0 | 111.4 | T276 Q277 I278 I282 S283 D284 | T276-S280 PolarHBondContact O-N 3.24Å; Q277-S280 PolarHBondContact O-N 3.05Å; Q277-S280 PolarHBondContact O-OG 3.04Å; I278-S280 VanDerWaalsContact C-N 3.34Å; I278-S280 PolarHBondContact O-N 2.66Å; S280-I282 VanDerWaalsContact C-N 3.32Å; S280-I282 PolarHBondContact O-N 2.92Å; S280-S283 CarbonylContact O-C 3.56Å; S280-S283 WeakPolarHBondContact O-CA 3.42Å; S280-S283 WeakPolarHBondContact O-CB 3.49Å; S280-S283 PolarHBondContact O-N 3.38Å; S280-D284 WeakPolarHBondContact O-CB 3.23Å; S280-D284 VanDerWaalsContact O-CG 3.25Å; S280-D284 PolarHBondContact O-N 3.35Å |
| 281 | H | 84.9 | Confident | 76.5 | Confident | 110 Ų | 110 | 105 Ų | 105 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.8 | -39 | 178.1 | -174.5 | -85.9 | 0 | 0 | 0 | 112.5 | Q277 I278 S283 D284 M285 | Q277-H281 WeakPolarHBondContact O-CB 3.34Å; Q277-H281 PolarHBondContact O-N 2.99Å; I278-H281 PolarHBondContact O-N 3.42Å; H281-S283 VanDerWaalsContact C-N 3.31Å; H281-D284 PolarHBondContact O-N 3.41Å; H281-M285 WeakPolarHBondContact O-CB 3.4Å; H281-M285 PolarHBondContact O-N 3Å |
| 282 | I | 79.6 | Confident | 73.9 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 53% | 0.533 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.5 | -39.9 | 173.1 | -69.6 | 167.4 | 0 | 0 | 0 | 110.5 | I278 S280 S286 | I278-I282 HydrophobicContact CG2-CD1 3.75Å; I278-I282 HydrophobicContact CG2-CG1 4.34Å; I278-I282 WeakPolarHBondContact O-CB 3.43Å; I278-I282 VanDerWaalsContact O-CG1 3.26Å; I278-I282 WeakPolarHBondContact O-CG1 3.36Å; I278-I282 PolarHBondContact O-N 2.87Å; S280-I282 VanDerWaalsContact C-N 3.32Å; S280-I282 PolarHBondContact O-N 2.92Å; I282-S286 WeakPolarHBondContact O-CB 3.47Å; I282-S286 PolarHBondContact O-N 3.43Å |
| 283 | S | 76.2 | Confident | 72 | Confident | 66 Ų | 66 | 108.8 Ų | 108.8 | 46% | 0.462 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.4 | -40.6 | 177.2 | -55.2 | 0 | 0 | 0 | 0 | 112 | Q279 S280 H281 V287 | Q279-S283 WeakPolarHBondContact O-CB 3.39Å; Q279-S283 PolarHBondContact O-N 3.44Å; Q279-S283 VanDerWaalsContact O-N 3.13Å; Q279-S283 PolarHBondContact O-OG 3.42Å; S280-S283 CarbonylContact O-C 3.56Å; S280-S283 WeakPolarHBondContact O-CA 3.42Å; S280-S283 WeakPolarHBondContact O-CB 3.49Å; S280-S283 PolarHBondContact O-N 3.38Å; H281-S283 VanDerWaalsContact C-N 3.31Å; S283-V287 WeakPolarHBondContact O-CG2 3.42Å; S283-V287 PolarHBondContact O-N 3.28Å |
| 284 | D | 66.1 | Low | 70.1 | Confident | 95 Ų | 95 | 113 Ų | 113 | 51% | 0.508 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.8 | -42 | 179.5 | -65.8 | -24.6 | 0 | 0 | 0 | 111.5 | S280 H281 S286 V287 I288 | S280-D284 WeakPolarHBondContact O-CB 3.23Å; S280-D284 VanDerWaalsContact O-CG 3.25Å; S280-D284 PolarHBondContact O-N 3.35Å; H281-D284 PolarHBondContact O-N 3.41Å; D284-S286 VanDerWaalsContact C-N 3.34Å; D284-V287 CarbonylContact O-C 3.6Å; D284-V287 PolarHBondContact O-N 2.87Å; D284-I288 WeakPolarHBondContact O-CG1 3.49Å; D284-I288 PolarHBondContact O-N 2.81Å |
| 285 | M | 61.8 | Low | 68.2 | Low | 101 Ų | 101 | 119.2 Ų | 119.2 | 50% | 0.498 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.1 | -28.4 | 176.2 | -166.9 | 167.2 | 66.1 | 0 | 0 | 112.4 | H281 V287 | H281-M285 WeakPolarHBondContact O-CB 3.4Å; H281-M285 PolarHBondContact O-N 3Å; M285-V287 PolarHBondContact O-N 2.92Å |
| 286 | S | 50.4 | Low | 66.7 | Low | 96 Ų | 96 | 121.6 Ų | 121.6 | 67% | 0.671 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -20.4 | 167.8 | 177.8 | 0 | 0 | 0 | 0 | 112.7 | I282 D284 | I282-S286 WeakPolarHBondContact O-CB 3.47Å; I282-S286 PolarHBondContact O-N 3.43Å; D284-S286 VanDerWaalsContact C-N 3.34Å |
| 287 | V | 52.7 | Low | 65.2 | Low | 116 Ų | 116 | 123.4 Ų | 123.4 | 70% | 0.703 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -19.2 | -178.8 | 173 | 0 | 0 | 0 | 0 | 112.1 | S283 D284 M285 | S283-V287 WeakPolarHBondContact O-CG2 3.42Å; S283-V287 PolarHBondContact O-N 3.28Å; D284-V287 CarbonylContact O-C 3.6Å; D284-V287 PolarHBondContact O-N 2.87Å; M285-V287 PolarHBondContact O-N 2.92Å |
| 288 | I | 52.1 | Low | 64.1 | Low | 118 Ų | 118 | 122 Ų | 122 | 61% | 0.605 | 65% | 0.646 | S | S | * | * | trans | -115.2 | 66.8 | 178.3 | -50.3 | 168.9 | 0 | 0 | 0 | 109.7 | D284 | D284-I288 WeakPolarHBondContact O-CG1 3.49Å; D284-I288 PolarHBondContact O-N 2.81Å | ||
| 289 | L | 45.3 | Very low | 63.3 | Low | 156 Ų | 156 | 123.2 Ų | 123.2 | 82% | 0.817 | 65% | 0.653 | S | S | * | * | trans | -130.5 | 51.4 | 160.4 | -90.2 | 168.4 | 0 | 0 | 0 | 109.6 | ||||
| 290 | S | 52 | Low | 63 | Low | 98 Ų | 98 | 122.8 Ų | 122.8 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | trans | -147.5 | 83.3 | 159.3 | 63 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 291 | M | 55.2 | Low | 62.9 | Low | 165 Ų | 165 | 123.2 Ų | 123.2 | 81% | 0.813 | 66% | 0.658 | S | S | * | * | trans | -141 | 118.6 | 159.7 | -84.7 | -56 | -54.3 | 0 | 0 | 109.4 | N293 | M291-N293 PolarHBondContact O-N 3.21Š| ||
| 292 | D | 41.8 | Very low | 62.9 | Low | 159 Ų | 159 | 121 Ų | 121 | 85% | 0.85 | 65% | 0.649 | S | S | * | * | trans | -57.9 | 125.8 | 177.7 | -83.7 | -46.3 | 0 | 0 | 0 | 111.9 | N294 | D292-N294 PolarHBondContact O-N 2.92Å; D292-N294 VanDerWaalsContact O-N 3.13Å | ||
| 293 | N | 56.6 | Low | 63.2 | Low | 165 Ų | 165 | 120.3 Ų | 120.3 | 88% | 0.882 | 65% | 0.646 | S | S | * | * | trans | -65.5 | 95.6 | 161.1 | -84 | -41.8 | 0 | 0 | 0 | 109.4 | M291 | M291-N293 PolarHBondContact O-N 3.21Š| ||
| 294 | N | 55.5 | Low | 63.8 | Low | 142 Ų | 142 | 122 Ų | 122 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | trans | -161.1 | 95.9 | 146.5 | -135.4 | -0.7 | 0 | 0 | 0 | 112.3 | D292 | D292-N294 PolarHBondContact O-N 2.92Å; D292-N294 VanDerWaalsContact O-N 3.13Å | ||
| 295 | R | 55.7 | Low | 65 | Low | 223 Ų | 223 | 123 Ų | 123 | 84% | 0.842 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -129.8 | 133 | 144.7 | -83.1 | -174 | 170.2 | 167.2 | -2.3 | 106.2 | L297 | R295-L297 VanDerWaalsContact C-N 3.35Å; R295-L297 WeakPolarHBondContact O-CG 3.38Å; R295-L297 PolarHBondContact O-N 3.44Å |
| 296 | N | 63 | Low | 66.4 | Low | 158 Ų | 158 | 121.2 Ų | 121.2 | 85% | 0.845 | 65% | 0.646 | S | S | * | * | trans | -53.8 | 102.5 | 176.4 | -27.3 | -23.5 | 0 | 0 | 0 | 106.5 | ||||
| 297 | L | 62.1 | Low | 68.4 | Low | 120 Ų | 120 | 124.4 Ų | 124.4 | 63% | 0.628 | 64% | 0.643 | S | S | * | * | trans | -80.8 | 124.1 | 178.8 | -73.2 | 169 | 0 | 0 | 0 | 106.4 | R295 L299 I302 | R295-L297 VanDerWaalsContact C-N 3.35Å; R295-L297 WeakPolarHBondContact O-CG 3.38Å; R295-L297 PolarHBondContact O-N 3.44Å; L297-L299 VanDerWaalsContact C-N 3.27Å; L297-L299 HydrophobicContact CB-CD2 4.46Å; L297-L299 PolarHBondContact O-N 3.32Å; L297-I302 HydrophobicContact CB-CD1 3.65Å; L297-I302 HydrophobicContact CD1-CD1 4.33Å; L297-I302 HydrophobicContact CD2-CD1 3.69Å; L297-I302 HydrophobicContact CG-CD1 4.06Å | ||
| 298 | D | 68.1 | Low | 70.3 | Confident | 103 Ų | 103 | 121.4 Ų | 121.4 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | trans | -67.3 | 94.1 | 167.2 | -178.8 | 11.3 | 0 | 0 | 0 | 107.7 | D300 S301 I302 | D298-D300 PolarHBondContact O-N 2.92Å; D298-D300 PolarHBondContact OD1-N 2.88Å; D298-S301 PolarHBondContact O-N 3.45Å; D298-S301 VanDerWaalsContact OD2-CB 3.3Å; D298-S301 WeakPolarHBondContact OD2-CB 3.36Å; D298-I302 WeakPolarHBondContact O-CG1 3.34Å; D298-I302 PolarHBondContact O-N 3.39Å | ||
| 299 | L | 75.6 | Confident | 72.2 | Confident | 114 Ų | 114 | 120.6 Ų | 120.6 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.4 | -31.1 | -173.4 | -66.5 | 173 | 0 | 0 | 0 | 111 | L297 I303 | L297-L299 VanDerWaalsContact C-N 3.27Å; L297-L299 HydrophobicContact CB-CD2 4.46Å; L297-L299 PolarHBondContact O-N 3.32Å; L299-I303 VanDerWaalsContact O-CB 3.31Å; L299-I303 WeakPolarHBondContact O-CB 3.3Å; L299-I303 VanDerWaalsContact O-CD1 3.27Å; L299-I303 WeakPolarHBondContact O-CD1 3.32Å; L299-I303 WeakPolarHBondContact O-CG1 3.4Å; L299-I303 PolarHBondContact O-N 3.49Å |
| 300 | D | 82.4 | Confident | 74.5 | Confident | 116 Ų | 116 | 121 Ų | 121 | 62% | 0.62 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.3 | -46.1 | -178.8 | -67.8 | -27.1 | 0 | 0 | 0 | 111 | D298 I302 I303 D304 | D298-D300 PolarHBondContact O-N 2.92Å; D298-D300 PolarHBondContact OD1-N 2.88Å; D300-I302 VanDerWaalsContact C-N 3.28Å; D300-I302 PolarHBondContact O-N 2.92Å; D300-I303 PolarHBondContact O-N 3.23Å; D300-D304 PolarHBondContact O-N 2.94Å |
| 301 | S | 84.1 | Confident | 76.5 | Confident | 63 Ų | 63 | 122.4 Ų | 122.4 | 44% | 0.441 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -60.1 | -37.2 | 174.4 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | D298 E305 | D298-S301 PolarHBondContact O-N 3.45Å; D298-S301 VanDerWaalsContact OD2-CB 3.3Å; D298-S301 WeakPolarHBondContact OD2-CB 3.36Å; S301-E305 WeakPolarHBondContact O-CB 3.34Å; S301-E305 PolarHBondContact O-N 3.49Å |
| 302 | I | 84.3 | Confident | 78.4 | Confident | 62 Ų | 62 | 119.2 Ų | 119.2 | 32% | 0.318 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.6 | -39.3 | 178.6 | -65 | 165.6 | 0 | 0 | 0 | 110.7 | L297 D298 D300 D304 E305 V306 | L297-I302 HydrophobicContact CB-CD1 3.65Å; L297-I302 HydrophobicContact CD1-CD1 4.33Å; L297-I302 HydrophobicContact CD2-CD1 3.69Å; L297-I302 HydrophobicContact CG-CD1 4.06Å; D298-I302 WeakPolarHBondContact O-CG1 3.34Å; D298-I302 PolarHBondContact O-N 3.39Å; D300-I302 VanDerWaalsContact C-N 3.28Å; D300-I302 PolarHBondContact O-N 2.92Å; I302-D304 VanDerWaalsContact C-N 3.32Å; I302-E305 PolarHBondContact O-N 3.34Å; I302-V306 HydrophobicContact CG2-CG2 4.2Å; I302-V306 VanDerWaalsContact O-CB 3.28Å; I302-V306 WeakPolarHBondContact O-CB 3.48Å; I302-V306 WeakPolarHBondContact O-CG2 3.41Å; I302-V306 PolarHBondContact O-N 3.26Å |
| 303 | I | 86.2 | Confident | 80.9 | Confident | 90 Ų | 90 | 116.4 Ų | 116.4 | 46% | 0.462 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -40.3 | 176.1 | -72.8 | 164 | 0 | 0 | 0 | 110.6 | L299 D300 R307 | L299-I303 VanDerWaalsContact O-CB 3.31Å; L299-I303 WeakPolarHBondContact O-CB 3.3Å; L299-I303 VanDerWaalsContact O-CD1 3.27Å; L299-I303 WeakPolarHBondContact O-CD1 3.32Å; L299-I303 WeakPolarHBondContact O-CG1 3.4Å; L299-I303 PolarHBondContact O-N 3.49Å; D300-I303 PolarHBondContact O-N 3.23Å; I303-R307 VanDerWaalsContact O-CB 3.28Å; I303-R307 WeakPolarHBondContact O-CB 3.28Å; I303-R307 PolarHBondContact O-N 2.91Å |
| 304 | D | 88.4 | Confident | 82.6 | Confident | 101 Ų | 101 | 111.4 Ų | 111.4 | 54% | 0.54 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.6 | -40.3 | 176.4 | -76.3 | -18.5 | 0 | 0 | 0 | 112.2 | D300 I302 R307 A308 | D300-D304 PolarHBondContact O-N 2.94Å; I302-D304 VanDerWaalsContact C-N 3.32Å; D304-R307 PolarHBondContact O-N 3.38Å; D304-A308 WeakPolarHBondContact O-CB 3.26Å; D304-A308 PolarHBondContact O-N 3.25Å |
| 305 | E | 91 | Very high | 84.5 | Confident | 116 Ų | 116 | 110.2 Ų | 110.2 | 54% | 0.542 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.5 | -43.4 | 174.4 | -172.4 | 173.6 | -170.4 | 0 | 0 | 111.9 | S301 I302 R307 A308 Q309 | S301-E305 WeakPolarHBondContact O-CB 3.34Å; S301-E305 PolarHBondContact O-N 3.49Å; I302-E305 PolarHBondContact O-N 3.34Å; E305-R307 VanDerWaalsContact C-N 3.34Å; E305-R307 PolarHBondContact O-N 2.91Å; E305-A308 PolarHBondContact O-N 2.96Å; E305-Q309 WeakPolarHBondContact O-CG 3.31Å; E305-Q309 PolarHBondContact O-N 2.86Å |
| 306 | V | 92.8 | Very high | 86.4 | Confident | 65 Ų | 65 | 104.5 Ų | 104.5 | 39% | 0.394 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.7 | 168.9 | 0 | 0 | 0 | 0 | 110.5 | I302 Q309 Y310 | I302-V306 HydrophobicContact CG2-CG2 4.2Å; I302-V306 VanDerWaalsContact O-CB 3.28Å; I302-V306 WeakPolarHBondContact O-CB 3.48Å; I302-V306 WeakPolarHBondContact O-CG2 3.41Å; I302-V306 PolarHBondContact O-N 3.26Å; V306-Q309 PolarHBondContact O-N 3.42Å; V306-Y310 HydrophobicContact CG1-CD2 3.67Å; V306-Y310 HydrophobicContact CG1-CE2 3.56Å; V306-Y310 WeakPolarHBondContact O-CD2 3.49Å; V306-Y310 PolarHBondContact O-N 3.33Å |
| 307 | R | 90.8 | Very high | 88 | Confident | 162 Ų | 162 | 100.4 Ų | 100.4 | 61% | 0.611 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.6 | -46.5 | 175.1 | -174.4 | -173.2 | -65.2 | -121.6 | 1.6 | 111.1 | I303 D304 E305 Q309 Y310 E311 | I303-R307 VanDerWaalsContact O-CB 3.28Å; I303-R307 WeakPolarHBondContact O-CB 3.28Å; I303-R307 PolarHBondContact O-N 2.91Å; D304-R307 PolarHBondContact O-N 3.38Å; E305-R307 VanDerWaalsContact C-N 3.34Å; E305-R307 PolarHBondContact O-N 2.91Å; R307-Q309 VanDerWaalsContact C-N 3.35Å; R307-Q309 PolarHBondContact O-N 3.28Å; R307-Y310 PolarHBondContact O-N 2.95Å; R307-E311 PolarHBondContact O-N 3.18Å |
| 308 | A | 92.6 | Very high | 89.6 | Confident | 54 Ų | 54 | 100.8 Ų | 100.8 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D304 E305 E311 E312 | D304-A308 WeakPolarHBondContact O-CB 3.26Å; D304-A308 PolarHBondContact O-N 3.25Å; E305-A308 PolarHBondContact O-N 2.96Å; A308-E311 PolarHBondContact O-N 2.86Å; A308-E312 WeakPolarHBondContact O-CB 3.41Å; A308-E312 PolarHBondContact O-N 2.97Å |
| 309 | Q | 92.6 | Very high | 90.9 | Very high | 100 Ų | 100 | 98.5 Ų | 98.5 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.1 | -72.8 | -167.9 | 9 | 0 | 0 | 112.5 | E305 V306 R307 E311 E312 I313 | E305-Q309 WeakPolarHBondContact O-CG 3.31Å; E305-Q309 PolarHBondContact O-N 2.86Å; V306-Q309 PolarHBondContact O-N 3.42Å; R307-Q309 VanDerWaalsContact C-N 3.35Å; R307-Q309 PolarHBondContact O-N 3.28Å; Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 2.86Å; Q309-E312 PolarHBondContact O-N 3.43Å; Q309-I313 WeakPolarHBondContact O-CB 3.4Å; Q309-I313 WeakPolarHBondContact O-CD1 3.47Å; Q309-I313 WeakPolarHBondContact O-CG1 3.43Å; Q309-I313 PolarHBondContact O-N 2.85Å |
| 310 | Y | 93.7 | Very high | 91.8 | Very high | 164 Ų | 164 | 99 Ų | 99 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 174.5 | -86.8 | -68.1 | 0 | 0 | 0 | 112.3 | V306 R307 I313 A314 | V306-Y310 HydrophobicContact CG1-CD2 3.67Å; V306-Y310 HydrophobicContact CG1-CE2 3.56Å; V306-Y310 WeakPolarHBondContact O-CD2 3.49Å; V306-Y310 PolarHBondContact O-N 3.33Å; R307-Y310 PolarHBondContact O-N 2.95Å; Y310-I313 PolarHBondContact O-N 3.4Å; Y310-A314 VanDerWaalsContact O-CB 3.27Å; Y310-A314 WeakPolarHBondContact O-CB 3.48Å; Y310-A314 PolarHBondContact O-N 3.32Å |
| 311 | E | 94.1 | Very high | 92.4 | Very high | 129 Ų | 129 | 95.3 Ų | 95.3 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 176.1 | -129.9 | 165.7 | -164.3 | 0 | 0 | 111.3 | R307 A308 Q309 A314 L315 | R307-E311 PolarHBondContact O-N 3.18Å; A308-E311 PolarHBondContact O-N 2.86Å; Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 2.86Å; E311-A314 PolarHBondContact O-N 2.94Å; E311-L315 WeakPolarHBondContact O-CB 3.43Å; E311-L315 VanDerWaalsContact O-CG 3.29Å; E311-L315 WeakPolarHBondContact O-CG 3.39Å; E311-L315 PolarHBondContact O-N 3.5Å |
| 312 | E | 95.3 | Very high | 92.9 | Very high | 97 Ų | 97 | 96.8 Ų | 96.8 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 175.2 | -170.4 | -174 | 179.6 | 0 | 0 | 112.1 | A308 Q309 A314 L315 K316 | A308-E312 WeakPolarHBondContact O-CB 3.41Å; A308-E312 PolarHBondContact O-N 2.97Å; Q309-E312 PolarHBondContact O-N 3.43Å; E312-A314 VanDerWaalsContact C-N 3.34Å; E312-A314 PolarHBondContact O-N 3.31Å; E312-L315 PolarHBondContact O-N 2.93Å; E312-K316 HydrophobicContact CG-CD 4.29Å; E312-K316 WeakPolarHBondContact O-CB 3.49Å; E312-K316 WeakPolarHBondContact O-CG 3.38Å; E312-K316 PolarHBondContact O-N 3.41Å; E312-K316 WeakPolarHBondContact OE1-CE 3.4Å; E312-K316 IonicContact OE1-NZ 2.64Å; E312-K316 PolarHBondContact OE1-NZ 2.79Å |
| 313 | I | 93.7 | Very high | 93.5 | Very high | 100 Ų | 100 | 96.2 Ų | 96.2 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 177.2 | -68.7 | 163.6 | 0 | 0 | 0 | 110.5 | Q309 Y310 K316 S317 | Q309-I313 WeakPolarHBondContact O-CB 3.4Å; Q309-I313 WeakPolarHBondContact O-CD1 3.47Å; Q309-I313 WeakPolarHBondContact O-CG1 3.43Å; Q309-I313 PolarHBondContact O-N 2.85Å; Y310-I313 PolarHBondContact O-N 3.4Å; I313-K316 PolarHBondContact O-N 3Å; I313-S317 VanDerWaalsContact O-CB 3.24Å; I313-S317 WeakPolarHBondContact O-CB 3.37Å; I313-S317 PolarHBondContact O-N 3.48Å |
| 314 | A | 93.4 | Very high | 94 | Very high | 60 Ų | 60 | 97.4 Ų | 97.4 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y310 E311 E312 K318 | Y310-A314 VanDerWaalsContact O-CB 3.27Å; Y310-A314 WeakPolarHBondContact O-CB 3.48Å; Y310-A314 PolarHBondContact O-N 3.32Å; E311-A314 PolarHBondContact O-N 2.94Å; E312-A314 VanDerWaalsContact C-N 3.34Å; E312-A314 PolarHBondContact O-N 3.31Å; A314-K318 WeakPolarHBondContact O-CB 3.4Å; A314-K318 PolarHBondContact O-N 2.98Å |
| 315 | L | 95.5 | Very high | 94.4 | Very high | 117 Ų | 117 | 101.1 Ų | 101.1 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.3 | -44 | 175.7 | -72.9 | 174.3 | 0 | 0 | 0 | 112.1 | E311 E312 K318 A319 | E311-L315 WeakPolarHBondContact O-CB 3.43Å; E311-L315 VanDerWaalsContact O-CG 3.29Å; E311-L315 WeakPolarHBondContact O-CG 3.39Å; E311-L315 PolarHBondContact O-N 3.5Å; E312-L315 PolarHBondContact O-N 2.93Å; L315-K318 PolarHBondContact O-N 3.41Å; L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3.34Å |
| 316 | K | 95.3 | Very high | 94.6 | Very high | 104 Ų | 104 | 101.2 Ų | 101.2 | 45% | 0.452 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 174.5 | -76.4 | 178.3 | -176.8 | 166.8 | 0 | 111.4 | E312 I313 K318 A319 E320 | E312-K316 HydrophobicContact CG-CD 4.29Å; E312-K316 WeakPolarHBondContact O-CB 3.49Å; E312-K316 WeakPolarHBondContact O-CG 3.38Å; E312-K316 PolarHBondContact O-N 3.41Å; E312-K316 WeakPolarHBondContact OE1-CE 3.4Å; E312-K316 IonicContact OE1-NZ 2.64Å; E312-K316 PolarHBondContact OE1-NZ 2.79Å; I313-K316 PolarHBondContact O-N 3Å; K316-K318 VanDerWaalsContact C-N 3.32Å; K316-K318 PolarHBondContact O-N 3.37Å; K316-A319 PolarHBondContact O-N 3.16Å; K316-E320 WeakPolarHBondContact O-CB 3.47Å; K316-E320 VanDerWaalsContact O-CG 3.31Å; K316-E320 WeakPolarHBondContact O-CG 3.42Å; K316-E320 PolarHBondContact O-N 2.93Å |
| 317 | S | 95.2 | Very high | 94.9 | Very high | 71 Ų | 71 | 101.3 Ų | 101.3 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 177.9 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | I313 A321 | I313-S317 VanDerWaalsContact O-CB 3.24Å; I313-S317 WeakPolarHBondContact O-CB 3.37Å; I313-S317 PolarHBondContact O-N 3.48Å; S317-A321 WeakPolarHBondContact O-CB 3.1Å; S317-A321 PolarHBondContact O-N 2.8Å |
| 318 | K | 96.1 | Very high | 95.1 | Very high | 128 Ų | 128 | 99.1 Ų | 99.1 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -47.4 | 173.5 | -178.5 | -178 | 170 | -175.7 | 0 | 111.7 | A314 L315 K316 A321 E322 | A314-K318 WeakPolarHBondContact O-CB 3.4Å; A314-K318 PolarHBondContact O-N 2.98Å; L315-K318 PolarHBondContact O-N 3.41Å; K316-K318 VanDerWaalsContact C-N 3.32Å; K316-K318 PolarHBondContact O-N 3.37Å; K318-A321 PolarHBondContact O-N 3.36Å; K318-E322 WeakPolarHBondContact CE-OE1 3.44Å; K318-E322 IonicContact NZ-OE1 3.89Å; K318-E322 WeakPolarHBondContact O-CB 3.19Å; K318-E322 WeakPolarHBondContact O-CG 3.3Å; K318-E322 PolarHBondContact O-N 2.96Å |
| 319 | A | 95.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 103.1 Ų | 103.1 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | L315 K316 E322 A323 | L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3.34Å; K316-A319 PolarHBondContact O-N 3.16Å; A319-E322 PolarHBondContact O-N 2.74Å; A319-A323 VanDerWaalsContact O-CB 3.3Å; A319-A323 WeakPolarHBondContact O-CB 3.44Å; A319-A323 PolarHBondContact O-N 3.42Å |
| 320 | E | 94.7 | Very high | 95.5 | Very high | 124 Ų | 124 | 103.5 Ų | 103.5 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 174.6 | -74.5 | 173.4 | -168.9 | 0 | 0 | 111.4 | K316 A323 L324 | K316-E320 WeakPolarHBondContact O-CB 3.47Å; K316-E320 VanDerWaalsContact O-CG 3.31Å; K316-E320 WeakPolarHBondContact O-CG 3.42Å; K316-E320 PolarHBondContact O-N 2.93Å; E320-A323 PolarHBondContact O-N 3.14Å; E320-L324 WeakPolarHBondContact O-CB 3.5Å; E320-L324 VanDerWaalsContact O-CG 3.23Å; E320-L324 WeakPolarHBondContact O-CG 3.2Å; E320-L324 PolarHBondContact O-N 3.34Å |
| 321 | A | 95.3 | Very high | 95.7 | Very high | 38 Ų | 38 | 100.2 Ų | 100.2 | 31% | 0.314 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S317 K318 L324 Y325 | S317-A321 WeakPolarHBondContact O-CB 3.1Å; S317-A321 PolarHBondContact O-N 2.8Å; K318-A321 PolarHBondContact O-N 3.36Å; A321-L324 PolarHBondContact O-N 2.94Å; A321-Y325 WeakPolarHBondContact O-CD2 3.26Å; A321-Y325 PolarHBondContact O-N 3.46Å |
| 322 | E | 95.5 | Very high | 95.7 | Very high | 95 Ų | 95 | 99.9 Ų | 99.9 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 176.2 | -74.3 | 176.9 | -177.3 | 0 | 0 | 111.9 | K318 A319 Y325 Q326 | K318-E322 WeakPolarHBondContact CE-OE1 3.44Å; K318-E322 IonicContact NZ-OE1 3.89Å; K318-E322 WeakPolarHBondContact O-CB 3.19Å; K318-E322 WeakPolarHBondContact O-CG 3.3Å; K318-E322 PolarHBondContact O-N 2.96Å; A319-E322 PolarHBondContact O-N 2.74Å; E322-Y325 PolarHBondContact O-N 2.91Å; E322-Q326 WeakPolarHBondContact O-CB 3.49Å; E322-Q326 VanDerWaalsContact O-CG 3.32Å; E322-Q326 WeakPolarHBondContact O-CG 3.27Å; E322-Q326 PolarHBondContact O-N 3.42Å |
| 323 | A | 95.8 | Very high | 95.8 | Very high | 49 Ų | 49 | 101.2 Ų | 101.2 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A319 E320 Q326 T327 | A319-A323 VanDerWaalsContact O-CB 3.3Å; A319-A323 WeakPolarHBondContact O-CB 3.44Å; A319-A323 PolarHBondContact O-N 3.42Å; E320-A323 PolarHBondContact O-N 3.14Å; A323-Q326 PolarHBondContact O-N 3.33Å; A323-T327 WeakPolarHBondContact O-CB 3.45Å; A323-T327 PolarHBondContact O-N 3.01Å; A323-T327 PolarHBondContact O-OG1 3.03Å |
| 324 | L | 96.2 | Very high | 95.9 | Very high | 116 Ų | 116 | 101.4 Ų | 101.4 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 174 | -75 | 172.2 | 0 | 0 | 0 | 111.3 | E320 A321 T327 K328 | E320-L324 WeakPolarHBondContact O-CB 3.5Å; E320-L324 VanDerWaalsContact O-CG 3.23Å; E320-L324 WeakPolarHBondContact O-CG 3.2Å; E320-L324 PolarHBondContact O-N 3.34Å; A321-L324 PolarHBondContact O-N 2.94Å; L324-T327 PolarHBondContact O-N 3.09Å; L324-K328 WeakPolarHBondContact O-CB 3.38Å; L324-K328 VanDerWaalsContact O-CG 3.3Å; L324-K328 WeakPolarHBondContact O-CG 3.31Å; L324-K328 PolarHBondContact O-N 3.03Å |
| 325 | Y | 96.9 | Very high | 96 | Very high | 178 Ų | 178 | 100.3 Ų | 100.3 | 70% | 0.698 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 176.4 | -77.3 | -59.3 | 0 | 0 | 0 | 112.5 | A321 E322 K328 F329 | A321-Y325 WeakPolarHBondContact O-CD2 3.26Å; A321-Y325 PolarHBondContact O-N 3.46Å; E322-Y325 PolarHBondContact O-N 2.91Å; Y325-K328 PolarHBondContact O-N 2.85Å; Y325-F329 WeakPolarHBondContact O-CB 3.42Å; Y325-F329 PolarHBondContact O-N 3.46Å |
| 326 | Q | 96.9 | Very high | 96 | Very high | 118 Ų | 118 | 97.9 Ų | 97.9 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 175.5 | -74.5 | 177.8 | 14.9 | 0 | 0 | 111.5 | E322 A323 F329 Q330 | E322-Q326 WeakPolarHBondContact O-CB 3.49Å; E322-Q326 VanDerWaalsContact O-CG 3.32Å; E322-Q326 WeakPolarHBondContact O-CG 3.27Å; E322-Q326 PolarHBondContact O-N 3.42Å; A323-Q326 PolarHBondContact O-N 3.33Å; Q326-F329 PolarHBondContact O-N 2.86Å; Q326-Q330 WeakPolarHBondContact O-CB 3.42Å; Q326-Q330 VanDerWaalsContact O-CG 3.29Å; Q326-Q330 WeakPolarHBondContact O-CG 3.46Å; Q326-Q330 PolarHBondContact O-N 2.97Å |
| 327 | T | 97.1 | Very high | 96 | Very high | 68 Ų | 68 | 94.6 Ų | 94.6 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.5 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | A323 L324 F329 Q330 E331 | A323-T327 WeakPolarHBondContact O-CB 3.45Å; A323-T327 PolarHBondContact O-N 3.01Å; A323-T327 PolarHBondContact O-OG1 3.03Å; L324-T327 PolarHBondContact O-N 3.09Å; T327-F329 VanDerWaalsContact C-N 3.33Å; T327-F329 PolarHBondContact O-N 3.4Å; T327-Q330 PolarHBondContact O-N 3.15Å; T327-E331 WeakPolarHBondContact O-CB 3.41Å; T327-E331 WeakPolarHBondContact O-CG 3.49Å; T327-E331 PolarHBondContact O-N 3.26Å |
| 328 | K | 97 | Very high | 96 | Very high | 116 Ų | 116 | 99.4 Ų | 99.4 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 177.8 | -72.5 | -71.7 | 158.6 | -149.7 | 0 | 112.5 | L324 Y325 E331 L332 | L324-K328 WeakPolarHBondContact O-CB 3.38Å; L324-K328 VanDerWaalsContact O-CG 3.3Å; L324-K328 WeakPolarHBondContact O-CG 3.31Å; L324-K328 PolarHBondContact O-N 3.03Å; Y325-K328 PolarHBondContact O-N 2.85Å; K328-E331 IonicContact NZ-OE1 3.85Å; K328-E331 IonicContact NZ-OE2 3.41Å; K328-E331 PolarHBondContact NZ-OE2 2.83Å; K328-E331 PolarHBondContact O-N 2.91Å; K328-L332 WeakPolarHBondContact O-CB 3.41Å; K328-L332 VanDerWaalsContact O-CG 3.3Å; K328-L332 WeakPolarHBondContact O-CG 3.47Å; K328-L332 PolarHBondContact O-N 3.44Å |
| 329 | F | 96.6 | Very high | 96 | Very high | 137 Ų | 137 | 99.5 Ų | 99.5 | 60% | 0.601 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 175.8 | -174.2 | -94.4 | 0 | 0 | 0 | 111.6 | Y325 Q326 T327 L332 Q333 | Y325-F329 WeakPolarHBondContact O-CB 3.42Å; Y325-F329 PolarHBondContact O-N 3.46Å; Q326-F329 PolarHBondContact O-N 2.86Å; T327-F329 VanDerWaalsContact C-N 3.33Å; T327-F329 PolarHBondContact O-N 3.4Å; F329-L332 PolarHBondContact O-N 2.8Å; F329-Q333 WeakPolarHBondContact O-CB 3.46Å; F329-Q333 PolarHBondContact O-N 3.48Å |
| 330 | Q | 96.8 | Very high | 96.1 | Very high | 109 Ų | 109 | 98.2 Ų | 98.2 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.9 | -71.2 | 172.7 | 23.5 | 0 | 0 | 111.9 | Q326 T327 L332 Q333 L334 | Q326-Q330 WeakPolarHBondContact O-CB 3.42Å; Q326-Q330 VanDerWaalsContact O-CG 3.29Å; Q326-Q330 WeakPolarHBondContact O-CG 3.46Å; Q326-Q330 PolarHBondContact O-N 2.97Å; T327-Q330 PolarHBondContact O-N 3.15Å; Q330-L332 PolarHBondContact O-N 3.18Å; Q330-Q333 PolarHBondContact O-N 3.28Å; Q330-L334 WeakPolarHBondContact O-CB 3.49Å; Q330-L334 VanDerWaalsContact O-CG 3.27Å; Q330-L334 WeakPolarHBondContact O-CG 3.5Å; Q330-L334 PolarHBondContact O-N 3.02Å |
| 331 | E | 96.1 | Very high | 96.2 | Very high | 94 Ų | 94 | 96.1 Ų | 96.1 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 174.4 | -77.7 | 177.8 | 175.9 | 0 | 0 | 111.6 | T327 K328 L334 A335 | T327-E331 WeakPolarHBondContact O-CB 3.41Å; T327-E331 WeakPolarHBondContact O-CG 3.49Å; T327-E331 PolarHBondContact O-N 3.26Å; K328-E331 IonicContact NZ-OE1 3.85Å; K328-E331 IonicContact NZ-OE2 3.41Å; K328-E331 PolarHBondContact NZ-OE2 2.83Å; K328-E331 PolarHBondContact O-N 2.91Å; E331-L334 PolarHBondContact O-N 3.02Å; E331-A335 VanDerWaalsContact O-CB 3.28Å; E331-A335 WeakPolarHBondContact O-CB 3.33Å; E331-A335 PolarHBondContact O-N 3.39Å |
| 332 | L | 95.5 | Very high | 96.2 | Very high | 122 Ų | 122 | 98.6 Ų | 98.6 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -40.2 | 177.2 | -73.5 | 172 | 0 | 0 | 0 | 111.9 | K328 F329 Q330 A335 A336 | K328-L332 WeakPolarHBondContact O-CB 3.41Å; K328-L332 VanDerWaalsContact O-CG 3.3Å; K328-L332 WeakPolarHBondContact O-CG 3.47Å; K328-L332 PolarHBondContact O-N 3.44Å; F329-L332 PolarHBondContact O-N 2.8Å; Q330-L332 PolarHBondContact O-N 3.18Å; L332-A335 PolarHBondContact O-N 3.47Å; L332-A336 VanDerWaalsContact O-CB 3.28Å; L332-A336 WeakPolarHBondContact O-CB 3.33Å; L332-A336 PolarHBondContact O-N 3.37Å |
| 333 | Q | 95.9 | Very high | 96.3 | Very high | 125 Ų | 125 | 100 Ų | 100 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.6 | -43 | 177.1 | -172 | 173 | 25.9 | 0 | 0 | 111.7 | F329 Q330 G337 | F329-Q333 WeakPolarHBondContact O-CB 3.46Å; F329-Q333 PolarHBondContact O-N 3.48Å; Q330-Q333 PolarHBondContact O-N 3.28Å; Q333-G337 PolarHBondContact O-N 3.48Å |
| 334 | L | 96.4 | Very high | 96.4 | Very high | 105 Ų | 105 | 103.4 Ų | 103.4 | 55% | 0.55 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 175.3 | -73.1 | 171.7 | 0 | 0 | 0 | 111.4 | Q330 E331 G337 R338 | Q330-L334 WeakPolarHBondContact O-CB 3.49Å; Q330-L334 VanDerWaalsContact O-CG 3.27Å; Q330-L334 WeakPolarHBondContact O-CG 3.5Å; Q330-L334 PolarHBondContact O-N 3.02Å; E331-L334 PolarHBondContact O-N 3.02Å; L334-G337 PolarHBondContact O-N 3.34Å; L334-R338 WeakPolarHBondContact O-CG 3.39Å; L334-R338 PolarHBondContact O-N 3.43Å |
| 335 | A | 95.8 | Very high | 96.4 | Very high | 37 Ų | 37 | 102.5 Ų | 102.5 | 31% | 0.306 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E331 L332 G337 R338 H339 | E331-A335 VanDerWaalsContact O-CB 3.28Å; E331-A335 WeakPolarHBondContact O-CB 3.33Å; E331-A335 PolarHBondContact O-N 3.39Å; L332-A335 PolarHBondContact O-N 3.47Å; A335-G337 VanDerWaalsContact C-N 3.32Å; A335-G337 PolarHBondContact O-N 3.45Å; A335-R338 PolarHBondContact O-N 2.91Å; A335-H339 WeakPolarHBondContact O-CB 3.45Å; A335-H339 PolarHBondContact O-CD2 2.93Å; A335-H339 VanDerWaalsContact O-CG 3.27Å; A335-H339 PolarHBondContact O-N 3.33Å |
| 336 | A | 95.8 | Very high | 96.4 | Very high | 65 Ų | 65 | 97.1 Ų | 97.1 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L332 G340 | L332-A336 VanDerWaalsContact O-CB 3.28Å; L332-A336 WeakPolarHBondContact O-CB 3.33Å; L332-A336 PolarHBondContact O-N 3.37Å; A336-G340 PolarHBondContact O-N 2.95Å |
| 337 | G | 95.5 | Very high | 96.5 | Very high | 35 Ų | 35 | 98.7 Ų | 98.7 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -51.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q333 L334 A335 H339 G340 D341 | Q333-G337 PolarHBondContact O-N 3.48Å; L334-G337 PolarHBondContact O-N 3.34Å; A335-G337 VanDerWaalsContact C-N 3.32Å; A335-G337 PolarHBondContact O-N 3.45Å; G337-H339 PolarHBondContact O-N 3.18Å; G337-G340 WeakPolarHBondContact O-CA 3.44Å; G337-G340 PolarHBondContact O-N 2.84Å; G337-G340 VanDerWaalsContact O-N 3.11Å; G337-D341 PolarHBondContact O-N 3.04Å |
| 338 | R | 95.3 | Very high | 96.5 | Very high | 173 Ų | 173 | 99.6 Ų | 99.6 | 65% | 0.653 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.6 | -48.2 | 176.6 | -70.5 | -179.3 | -158 | -144.5 | 6.9 | 111.7 | L334 A335 G340 D341 D342 | L334-R338 WeakPolarHBondContact O-CG 3.39Å; L334-R338 PolarHBondContact O-N 3.43Å; A335-R338 PolarHBondContact O-N 2.91Å; R338-G340 VanDerWaalsContact C-N 3.28Å; R338-G340 PolarHBondContact O-N 3.33Å; R338-D341 PolarHBondContact O-N 3.26Å; R338-D341 VanDerWaalsContact O-N 3.11Å; R338-D342 WeakPolarHBondContact O-CB 3.47Å; R338-D342 VanDerWaalsContact O-CG 3.23Å; R338-D342 PolarHBondContact O-N 3.01Å |
| 339 | H | 95.7 | Very high | 96.6 | Very high | 129 Ų | 129 | 99.4 Ų | 99.4 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -37.2 | 176.7 | -67.9 | -39.6 | 0 | 0 | 0 | 112.5 | A335 G337 L343 | A335-H339 WeakPolarHBondContact O-CB 3.45Å; A335-H339 PolarHBondContact O-CD2 2.93Å; A335-H339 VanDerWaalsContact O-CG 3.27Å; A335-H339 PolarHBondContact O-N 3.33Å; G337-H339 PolarHBondContact O-N 3.18Å; H339-L343 WeakPolarHBondContact O-CB 3.48Å; H339-L343 PolarHBondContact O-N 3.1Å |
| 340 | G | 96.9 | Very high | 96.6 | Very high | 29 Ų | 29 | 98 Ų | 98 | 30% | 0.299 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | A336 G337 R338 K344 | A336-G340 PolarHBondContact O-N 2.95Å; G337-G340 WeakPolarHBondContact O-CA 3.44Å; G337-G340 PolarHBondContact O-N 2.84Å; G337-G340 VanDerWaalsContact O-N 3.11Å; R338-G340 VanDerWaalsContact C-N 3.28Å; R338-G340 PolarHBondContact O-N 3.33Å; G340-K344 WeakPolarHBondContact O-CG 3.47Å; G340-K344 PolarHBondContact O-N 3.35Å; G340-K344 VanDerWaalsContact O-N 3.12Å |
| 341 | D | 96.3 | Very high | 96.6 | Very high | 80 Ų | 80 | 95 Ų | 95 | 43% | 0.428 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.8 | -38.8 | 178.2 | -67.9 | -23.6 | 0 | 0 | 0 | 112.2 | G337 R338 L343 K344 N345 | G337-D341 PolarHBondContact O-N 3.04Å; R338-D341 PolarHBondContact O-N 3.26Å; R338-D341 VanDerWaalsContact O-N 3.11Å; D341-L343 VanDerWaalsContact C-N 3.29Å; D341-L343 PolarHBondContact O-N 3.45Å; D341-K344 WeakPolarHBondContact O-CB 3.32Å; D341-K344 PolarHBondContact O-N 3.24Å; D341-K344 VanDerWaalsContact O-N 3.12Å; D341-K344 IonicContact OD1-NZ 2.67Å; D341-K344 PolarHBondContact OD1-NZ 3.36Å; D341-N345 WeakPolarHBondContact O-CB 3.41Å; D341-N345 VanDerWaalsContact O-CG 3.23Å; D341-N345 PolarHBondContact O-N 2.83Å; D341-N345 PolarHBondContact O-ND2 2.94Å |
| 342 | D | 97 | Very high | 96.7 | Very high | 90 Ų | 90 | 96.6 Ų | 96.6 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 171.5 | -67.8 | -23.8 | 0 | 0 | 0 | 111.1 | R338 K344 N345 T346 | R338-D342 WeakPolarHBondContact O-CB 3.47Å; R338-D342 VanDerWaalsContact O-CG 3.23Å; R338-D342 PolarHBondContact O-N 3.01Å; D342-K344 VanDerWaalsContact C-N 3.35Å; D342-K344 PolarHBondContact O-N 3.06Å; D342-N345 PolarHBondContact O-N 2.94Å; D342-T346 WeakPolarHBondContact O-CB 3.36Å; D342-T346 WeakPolarHBondContact O-CG2 3.21Å; D342-T346 PolarHBondContact O-N 2.84Å; D342-T346 PolarHBondContact O-OG1 3.26Å |
| 343 | L | 97.3 | Very high | 96.8 | Very high | 125 Ų | 125 | 95 Ų | 95 | 65% | 0.654 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -36.8 | 175.4 | -174.1 | 63.8 | 0 | 0 | 0 | 112.2 | H339 D341 T346 K347 | H339-L343 WeakPolarHBondContact O-CB 3.48Å; H339-L343 PolarHBondContact O-N 3.1Å; D341-L343 VanDerWaalsContact C-N 3.29Å; D341-L343 PolarHBondContact O-N 3.45Å; L343-T346 WeakPolarHBondContact CA-OG1 3.44Å; L343-T346 PolarHBondContact O-OG1 3Å; L343-K347 VanDerWaalsContact O-CB 3.27Å; L343-K347 WeakPolarHBondContact O-CB 3.39Å; L343-K347 PolarHBondContact O-N 3.47Å |
| 344 | K | 96.9 | Very high | 96.9 | Very high | 120 Ų | 120 | 92.5 Ų | 92.5 | 52% | 0.522 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 173.8 | -69.7 | 169.4 | -161.1 | 155.3 | 0 | 111.5 | G340 D341 D342 K347 N348 | G340-K344 WeakPolarHBondContact O-CG 3.47Å; G340-K344 PolarHBondContact O-N 3.35Å; G340-K344 VanDerWaalsContact O-N 3.12Å; D341-K344 WeakPolarHBondContact O-CB 3.32Å; D341-K344 PolarHBondContact O-N 3.24Å; D341-K344 VanDerWaalsContact O-N 3.12Å; D341-K344 IonicContact OD1-NZ 2.67Å; D341-K344 PolarHBondContact OD1-NZ 3.36Å; D342-K344 VanDerWaalsContact C-N 3.35Å; D342-K344 PolarHBondContact O-N 3.06Å; K344-K347 PolarHBondContact O-N 3.48Å; K344-N348 WeakPolarHBondContact O-CB 3.45Å; K344-N348 PolarHBondContact O-N 3.06Å; K344-N348 PolarHBondContact O-ND2 2.92Å; K344-N348 PolarHBondContact O-OD1 2.82Å |
| 345 | N | 97.6 | Very high | 97 | Very high | 97 Ų | 97 | 95.8 Ų | 95.8 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 179 | -71.3 | -19.9 | 0 | 0 | 0 | 111 | D341 D342 K347 N348 E349 | D341-N345 WeakPolarHBondContact O-CB 3.41Å; D341-N345 VanDerWaalsContact O-CG 3.23Å; D341-N345 PolarHBondContact O-N 2.83Å; D341-N345 PolarHBondContact O-ND2 2.94Å; D342-N345 PolarHBondContact O-N 2.94Å; N345-K347 VanDerWaalsContact C-N 3.33Å; N345-K347 PolarHBondContact O-N 2.89Å; N345-N348 WeakPolarHBondContact O-CB 3.35Å; N345-N348 PolarHBondContact O-N 3.39Å; N345-N348 VanDerWaalsContact O-N 3.12Å; N345-E349 PolarHBondContact O-N 3.41Å |
| 346 | T | 96.9 | Very high | 97.1 | Very high | 65 Ų | 65 | 97.8 Ų | 97.8 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 175.1 | 52 | 0 | 0 | 0 | 0 | 112 | D342 L343 N348 E349 I350 | D342-T346 WeakPolarHBondContact O-CB 3.36Å; D342-T346 WeakPolarHBondContact O-CG2 3.21Å; D342-T346 PolarHBondContact O-N 2.84Å; D342-T346 PolarHBondContact O-OG1 3.26Å; L343-T346 WeakPolarHBondContact CA-OG1 3.44Å; L343-T346 PolarHBondContact O-OG1 3Å; T346-N348 PolarHBondContact O-N 3.38Å; T346-E349 PolarHBondContact O-N 3.01Å; T346-I350 WeakPolarHBondContact O-CB 3.4Å; T346-I350 WeakPolarHBondContact O-CD1 3.49Å; T346-I350 WeakPolarHBondContact O-CG1 3.43Å; T346-I350 PolarHBondContact O-N 3.32Å |
| 347 | K | 98.1 | Very high | 97.2 | Very high | 152 Ų | 152 | 98.7 Ų | 98.7 | 66% | 0.661 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 172.9 | -178.2 | -179.3 | 178.1 | -179.7 | 0 | 112.4 | L343 K344 N345 S351 | L343-K347 VanDerWaalsContact O-CB 3.27Å; L343-K347 WeakPolarHBondContact O-CB 3.39Å; L343-K347 PolarHBondContact O-N 3.47Å; K344-K347 PolarHBondContact O-N 3.48Å; N345-K347 VanDerWaalsContact C-N 3.33Å; N345-K347 PolarHBondContact O-N 2.89Å; K347-S351 PolarHBondContact O-N 3.45Å |
| 348 | N | 97.2 | Very high | 97.3 | Very high | 86 Ų | 86 | 102.1 Ų | 102.1 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 177.1 | -69.7 | -18.2 | 0 | 0 | 0 | 110.6 | K344 N345 T346 I350 S351 E352 | K344-N348 WeakPolarHBondContact O-CB 3.45Å; K344-N348 PolarHBondContact O-N 3.06Å; K344-N348 PolarHBondContact O-ND2 2.92Å; K344-N348 PolarHBondContact O-OD1 2.82Å; N345-N348 WeakPolarHBondContact O-CB 3.35Å; N345-N348 PolarHBondContact O-N 3.39Å; N345-N348 VanDerWaalsContact O-N 3.12Å; T346-N348 PolarHBondContact O-N 3.38Å; N348-I350 PolarHBondContact O-N 2.98Å; N348-S351 WeakPolarHBondContact O-CA 3.37Å; N348-S351 WeakPolarHBondContact O-CB 3.33Å; N348-S351 PolarHBondContact O-N 2.92Å; N348-S351 PolarHBondContact O-OG 2.98Å; N348-E352 WeakPolarHBondContact O-CG 3.44Å; N348-E352 PolarHBondContact O-N 3.4Å |
| 349 | E | 97.9 | Very high | 97.4 | Very high | 113 Ų | 113 | 100.9 Ų | 100.9 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 176 | -174.8 | 179 | -173.5 | 0 | 0 | 111.7 | N345 T346 S351 E352 L353 | N345-E349 PolarHBondContact O-N 3.41Å; T346-E349 PolarHBondContact O-N 3.01Å; E349-S351 VanDerWaalsContact C-N 3.25Å; E349-S351 PolarHBondContact O-N 3.17Å; E349-E352 PolarHBondContact O-N 3.35Å; E349-E352 VanDerWaalsContact O-N 3.15Å; E349-L353 HydrophobicContact CG-CD1 4.16Å; E349-L353 HydrophobicContact CG-CG 4.43Å; E349-L353 WeakPolarHBondContact O-CB 3.38Å; E349-L353 WeakPolarHBondContact O-CG 3.28Å; E349-L353 PolarHBondContact O-N 3.31Å |
| 350 | I | 97.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 98.5 Ų | 98.5 | 55% | 0.549 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.9 | -41.8 | 173.8 | -69.9 | 164.2 | 0 | 0 | 0 | 110.7 | T346 N348 T354 | T346-I350 WeakPolarHBondContact O-CB 3.4Å; T346-I350 WeakPolarHBondContact O-CD1 3.49Å; T346-I350 WeakPolarHBondContact O-CG1 3.43Å; T346-I350 PolarHBondContact O-N 3.32Å; N348-I350 PolarHBondContact O-N 2.98Å; I350-T354 VanDerWaalsContact O-CB 3.29Å; I350-T354 WeakPolarHBondContact O-CB 3.11Å; I350-T354 PolarHBondContact O-N 3.49Å; I350-T354 PolarHBondContact O-OG1 3.06Å |
| 351 | S | 97.8 | Very high | 97.6 | Very high | 47 Ų | 47 | 104.5 Ų | 104.5 | 33% | 0.329 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 179.2 | 83 | 0 | 0 | 0 | 0 | 113 | K347 N348 E349 R355 | K347-S351 PolarHBondContact O-N 3.45Å; N348-S351 WeakPolarHBondContact O-CA 3.37Å; N348-S351 WeakPolarHBondContact O-CB 3.33Å; N348-S351 PolarHBondContact O-N 2.92Å; N348-S351 PolarHBondContact O-OG 2.98Å; E349-S351 VanDerWaalsContact C-N 3.25Å; E349-S351 PolarHBondContact O-N 3.17Å; S351-R355 WeakPolarHBondContact O-CG 3.43Å; S351-R355 PolarHBondContact O-N 2.84Å |
| 352 | E | 97.6 | Very high | 97.6 | Very high | 126 Ų | 126 | 103.4 Ų | 103.4 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.7 | -46.6 | 175.9 | -71.3 | -177.9 | 173.9 | 0 | 0 | 111.7 | N348 E349 T354 R355 L356 | N348-E352 WeakPolarHBondContact O-CG 3.44Å; N348-E352 PolarHBondContact O-N 3.4Å; E349-E352 PolarHBondContact O-N 3.35Å; E349-E352 VanDerWaalsContact O-N 3.15Å; E352-T354 VanDerWaalsContact C-N 3.26Å; E352-T354 PolarHBondContact O-N 3.1Å; E352-R355 WeakPolarHBondContact O-CB 3.38Å; E352-R355 PolarHBondContact O-N 2.88Å; E352-R355 VanDerWaalsContact O-N 3.09Å; E352-L356 PolarHBondContact O-N 3.36Å |
| 353 | L | 97.8 | Very high | 97.7 | Very high | 90 Ų | 90 | 103.9 Ų | 103.9 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.8 | -41 | 172.9 | -69.7 | 176 | 0 | 0 | 0 | 110.8 | E349 R355 L356 I357 | E349-L353 HydrophobicContact CG-CD1 4.16Å; E349-L353 HydrophobicContact CG-CG 4.43Å; E349-L353 WeakPolarHBondContact O-CB 3.38Å; E349-L353 WeakPolarHBondContact O-CG 3.28Å; E349-L353 PolarHBondContact O-N 3.31Å; L353-R355 VanDerWaalsContact C-N 3.35Å; L353-R355 PolarHBondContact O-N 3.21Å; L353-L356 PolarHBondContact O-N 2.88Å; L353-I357 WeakPolarHBondContact O-CB 3.3Å; L353-I357 VanDerWaalsContact O-CG1 3.23Å; L353-I357 WeakPolarHBondContact O-CG1 3.45Å; L353-I357 PolarHBondContact O-N 3.11Å |
| 354 | T | 98.1 | Very high | 97.7 | Very high | 71 Ų | 71 | 102 Ų | 102 | 44% | 0.436 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 175 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | I350 E352 I357 Q358 | I350-T354 VanDerWaalsContact O-CB 3.29Å; I350-T354 WeakPolarHBondContact O-CB 3.11Å; I350-T354 PolarHBondContact O-N 3.49Å; I350-T354 PolarHBondContact O-OG1 3.06Å; E352-T354 VanDerWaalsContact C-N 3.26Å; E352-T354 PolarHBondContact O-N 3.1Å; T354-I357 PolarHBondContact O-N 2.89Å; T354-Q358 WeakPolarHBondContact O-CG 3.4Å; T354-Q358 PolarHBondContact O-N 3.47Å; T354-Q358 VanDerWaalsContact O-N 3.07Å |
| 355 | R | 97.7 | Very high | 97.8 | Very high | 175 Ų | 175 | 101.9 Ų | 101.9 | 66% | 0.66 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 174.8 | -75.8 | 173.5 | 176.1 | 154.5 | -0.6 | 112.2 | S351 E352 L353 Q358 R359 | S351-R355 WeakPolarHBondContact O-CG 3.43Å; S351-R355 PolarHBondContact O-N 2.84Å; E352-R355 WeakPolarHBondContact O-CB 3.38Å; E352-R355 PolarHBondContact O-N 2.88Å; E352-R355 VanDerWaalsContact O-N 3.09Å; L353-R355 VanDerWaalsContact C-N 3.35Å; L353-R355 PolarHBondContact O-N 3.21Å; R355-Q358 PolarHBondContact O-N 3.1Å; R355-R359 PolarHBondContact O-N 2.93Å |
| 356 | L | 98.3 | Very high | 97.8 | Very high | 79 Ų | 79 | 101.9 Ų | 101.9 | 41% | 0.414 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 177 | -174.9 | 67.9 | 0 | 0 | 0 | 111.1 | E352 L353 Q358 R359 I360 | E352-L356 PolarHBondContact O-N 3.36Å; L353-L356 PolarHBondContact O-N 2.88Å; L356-Q358 VanDerWaalsContact C-N 3.31Å; L356-Q358 PolarHBondContact O-N 3.23Å; L356-R359 PolarHBondContact O-N 3.41Å; L356-I360 HydrophobicContact CD1-CD1 4.33Å; L356-I360 HydrophobicContact CG-CD1 3.97Å; L356-I360 WeakPolarHBondContact O-CG1 3.41Å; L356-I360 PolarHBondContact O-N 3.46Å |
| 357 | I | 97.9 | Very high | 97.8 | Very high | 83 Ų | 83 | 103.1 Ų | 103.1 | 43% | 0.426 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 175.5 | -71.1 | 164.9 | 0 | 0 | 0 | 110.7 | L353 T354 I360 R361 | L353-I357 WeakPolarHBondContact O-CB 3.3Å; L353-I357 VanDerWaalsContact O-CG1 3.23Å; L353-I357 WeakPolarHBondContact O-CG1 3.45Å; L353-I357 PolarHBondContact O-N 3.11Å; T354-I357 PolarHBondContact O-N 2.89Å; I357-I360 PolarHBondContact O-N 3.41Å; I357-R361 HydrophobicContact CG2-CG 4.47Å; I357-R361 WeakPolarHBondContact O-CB 3.47Å; I357-R361 VanDerWaalsContact O-CG 3.26Å; I357-R361 WeakPolarHBondContact O-CG 3.45Å; I357-R361 PolarHBondContact O-N 2.99Å |
| 358 | Q | 97.7 | Very high | 97.8 | Very high | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 178.1 | -68.2 | -63.9 | -12.3 | 0 | 0 | 112.4 | T354 R355 L356 R361 S362 | T354-Q358 WeakPolarHBondContact O-CG 3.4Å; T354-Q358 PolarHBondContact O-N 3.47Å; T354-Q358 VanDerWaalsContact O-N 3.07Å; R355-Q358 PolarHBondContact O-N 3.1Å; L356-Q358 VanDerWaalsContact C-N 3.31Å; L356-Q358 PolarHBondContact O-N 3.23Å; Q358-R361 PolarHBondContact O-N 3.33Å; Q358-S362 PolarHBondContact O-N 2.95Å |
| 359 | R | 97.9 | Very high | 97.8 | Very high | 147 Ų | 147 | 104.1 Ų | 104.1 | 56% | 0.555 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -52.4 | 174.2 | -175.6 | -173.1 | -63 | 158.7 | 0.4 | 111 | R355 L356 R361 S362 E363 | R355-R359 PolarHBondContact O-N 2.93Å; L356-R359 PolarHBondContact O-N 3.41Å; R359-R361 VanDerWaalsContact C-N 3.3Å; R359-R361 PolarHBondContact O-N 3Å; R359-S362 PolarHBondContact O-N 3.06Å; R359-S362 PolarHBondContact O-OG 3.42Å; R359-E363 WeakPolarHBondContact CG-OE1 3.37Å; R359-E363 PolarHBondContact O-N 3.07Å |
| 360 | I | 97.6 | Very high | 97.8 | Very high | 79 Ų | 79 | 104.6 Ų | 104.6 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 179.8 | -67.2 | 171.2 | 0 | 0 | 0 | 110.8 | L356 I357 S362 E363 I364 | L356-I360 HydrophobicContact CD1-CD1 4.33Å; L356-I360 HydrophobicContact CG-CD1 3.97Å; L356-I360 WeakPolarHBondContact O-CG1 3.41Å; L356-I360 PolarHBondContact O-N 3.46Å; I357-I360 PolarHBondContact O-N 3.41Å; I360-S362 VanDerWaalsContact C-N 3.33Å; I360-S362 PolarHBondContact O-N 2.88Å; I360-E363 PolarHBondContact O-N 2.81Å; I360-I364 HydrophobicContact CG2-CD1 3.86Å; I360-I364 HydrophobicContact CG2-CG1 4.35Å; I360-I364 VanDerWaalsContact O-CG1 3.28Å; I360-I364 WeakPolarHBondContact O-CG1 3.31Å; I360-I364 PolarHBondContact O-N 3.41Å |
| 361 | R | 97.8 | Very high | 97.8 | Very high | 154 Ų | 154 | 101.6 Ų | 101.6 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.7 | -42.3 | 174 | -76.9 | 175.4 | 177.2 | -175.6 | -0.4 | 112.3 | I357 Q358 R359 I364 E365 | I357-R361 HydrophobicContact CG2-CG 4.47Å; I357-R361 WeakPolarHBondContact O-CB 3.47Å; I357-R361 VanDerWaalsContact O-CG 3.26Å; I357-R361 WeakPolarHBondContact O-CG 3.45Å; I357-R361 PolarHBondContact O-N 2.99Å; Q358-R361 PolarHBondContact O-N 3.33Å; R359-R361 VanDerWaalsContact C-N 3.3Å; R359-R361 PolarHBondContact O-N 3Å; R361-I364 PolarHBondContact O-N 3.5Å; R361-E365 PolarHBondContact O-N 3.47Å |
| 362 | S | 97.8 | Very high | 97.7 | Very high | 58 Ų | 58 | 101.7 Ų | 101.7 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -36.4 | 176.4 | 74 | 0 | 0 | 0 | 0 | 112.8 | Q358 R359 I360 E365 N366 | Q358-S362 PolarHBondContact O-N 2.95Å; R359-S362 PolarHBondContact O-N 3.06Å; R359-S362 PolarHBondContact O-OG 3.42Å; I360-S362 VanDerWaalsContact C-N 3.33Å; I360-S362 PolarHBondContact O-N 2.88Å; S362-E365 PolarHBondContact O-N 3.21Å; S362-N366 WeakPolarHBondContact O-CB 3.35Å; S362-N366 PolarHBondContact O-N 2.91Å; S362-N366 PolarHBondContact O-ND2 3.3Å |
| 363 | E | 98.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 99.9 Ų | 99.9 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 174.1 | -72.4 | 172 | -166.3 | 0 | 0 | 111.3 | R359 I360 E365 N366 V367 | R359-E363 WeakPolarHBondContact CG-OE1 3.37Å; R359-E363 PolarHBondContact O-N 3.07Å; I360-E363 PolarHBondContact O-N 2.81Å; E363-E365 VanDerWaalsContact C-N 3.32Å; E363-E365 PolarHBondContact O-N 2.93Å; E363-N366 PolarHBondContact O-N 3.36Å; E363-V367 WeakPolarHBondContact O-CB 3.35Å; E363-V367 VanDerWaalsContact O-CG2 3.32Å; E363-V367 WeakPolarHBondContact O-CG2 3.33Å; E363-V367 PolarHBondContact O-N 2.91Å |
| 364 | I | 97.8 | Very high | 97.7 | Very high | 86 Ų | 86 | 101.1 Ų | 101.1 | 44% | 0.441 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 173.8 | -70 | 166.4 | 0 | 0 | 0 | 110.4 | I360 R361 V367 K368 | I360-I364 HydrophobicContact CG2-CD1 3.86Å; I360-I364 HydrophobicContact CG2-CG1 4.35Å; I360-I364 VanDerWaalsContact O-CG1 3.28Å; I360-I364 WeakPolarHBondContact O-CG1 3.31Å; I360-I364 PolarHBondContact O-N 3.41Å; R361-I364 PolarHBondContact O-N 3.5Å; I364-V367 PolarHBondContact O-N 2.96Å; I364-K368 HydrophobicContact CG2-CD 4.16Å; I364-K368 HydrophobicContact CG2-CG 4.43Å; I364-K368 WeakPolarHBondContact O-CB 3.45Å; I364-K368 VanDerWaalsContact O-CG 3.31Å; I364-K368 WeakPolarHBondContact O-CG 3.31Å; I364-K368 PolarHBondContact O-N 3.45Å |
| 365 | E | 98 | Very high | 97.7 | Very high | 117 Ų | 117 | 104 Ų | 104 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 180 | -165.2 | 58.9 | -151.8 | 0 | 0 | 112 | R361 S362 E363 K368 K369 | R361-E365 PolarHBondContact O-N 3.47Å; S362-E365 PolarHBondContact O-N 3.21Å; E363-E365 VanDerWaalsContact C-N 3.32Å; E363-E365 PolarHBondContact O-N 2.93Å; E365-K368 PolarHBondContact O-N 2.8Å; E365-K369 WeakPolarHBondContact O-CB 3.4Å; E365-K369 PolarHBondContact O-N 3.1Å |
| 366 | N | 97.9 | Very high | 97.7 | Very high | 97 Ų | 97 | 99.5 Ų | 99.5 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 174.6 | -72.3 | -24.2 | 0 | 0 | 0 | 111.8 | S362 E363 K369 Q370 | S362-N366 WeakPolarHBondContact O-CB 3.35Å; S362-N366 PolarHBondContact O-N 2.91Å; S362-N366 PolarHBondContact O-ND2 3.3Å; E363-N366 PolarHBondContact O-N 3.36Å; N366-K369 PolarHBondContact O-N 3.22Å; N366-Q370 WeakPolarHBondContact O-CG 3.49Å; N366-Q370 PolarHBondContact O-N 2.97Å |
| 367 | V | 97.3 | Very high | 97.6 | Very high | 91 Ų | 91 | 98.1 Ų | 98.1 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.5 | -41.4 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | E363 I364 K369 Q370 A371 | E363-V367 WeakPolarHBondContact O-CB 3.35Å; E363-V367 VanDerWaalsContact O-CG2 3.32Å; E363-V367 WeakPolarHBondContact O-CG2 3.33Å; E363-V367 PolarHBondContact O-N 2.91Å; I364-V367 PolarHBondContact O-N 2.96Å; V367-K369 VanDerWaalsContact C-N 3.32Å; V367-K369 PolarHBondContact O-N 3.02Å; V367-Q370 WeakPolarHBondContact O-CB 3.3Å; V367-Q370 PolarHBondContact O-N 3.42Å; V367-A371 PolarHBondContact O-N 2.83Å |
| 368 | K | 98.3 | Very high | 97.6 | Very high | 128 Ų | 128 | 98.7 Ų | 98.7 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.2 | -44.2 | 173.2 | -80.3 | 179.6 | 177.4 | -177.8 | 0 | 112 | I364 E365 Q370 A371 S372 | I364-K368 HydrophobicContact CG2-CD 4.16Å; I364-K368 HydrophobicContact CG2-CG 4.43Å; I364-K368 WeakPolarHBondContact O-CB 3.45Å; I364-K368 VanDerWaalsContact O-CG 3.31Å; I364-K368 WeakPolarHBondContact O-CG 3.31Å; I364-K368 PolarHBondContact O-N 3.45Å; E365-K368 PolarHBondContact O-N 2.8Å; K368-Q370 VanDerWaalsContact C-N 3.34Å; K368-Q370 PolarHBondContact O-N 2.89Å; K368-A371 PolarHBondContact O-N 3.49Å; K368-S372 PolarHBondContact O-N 2.84Å; K368-S372 PolarHBondContact O-OG 3.36Å |
| 369 | K | 97.9 | Very high | 97.6 | Very high | 131 Ų | 131 | 95.9 Ų | 95.9 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.4 | -38.2 | 176.1 | -172.4 | 179.2 | -179 | -179.5 | 0 | 112.2 | E365 N366 V367 S372 N373 | E365-K369 WeakPolarHBondContact O-CB 3.4Å; E365-K369 PolarHBondContact O-N 3.1Å; N366-K369 PolarHBondContact O-N 3.22Å; V367-K369 VanDerWaalsContact C-N 3.32Å; V367-K369 PolarHBondContact O-N 3.02Å; K369-S372 WeakPolarHBondContact CA-OG 3.45Å; K369-S372 PolarHBondContact O-OG 3.33Å; K369-N373 WeakPolarHBondContact O-CB 3.39Å; K369-N373 PolarHBondContact O-N 2.87Å; K369-N373 PolarHBondContact O-ND2 3.02Å; K369-N373 PolarHBondContact O-OD1 3.2Å |
| 370 | Q | 97.3 | Very high | 97.6 | Very high | 122 Ų | 122 | 93.1 Ų | 93.1 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 173.9 | -73.2 | 177.3 | -2.5 | 0 | 0 | 111.4 | N366 V367 K368 N373 L374 | N366-Q370 WeakPolarHBondContact O-CG 3.49Å; N366-Q370 PolarHBondContact O-N 2.97Å; V367-Q370 WeakPolarHBondContact O-CB 3.3Å; V367-Q370 PolarHBondContact O-N 3.42Å; K368-Q370 VanDerWaalsContact C-N 3.34Å; K368-Q370 PolarHBondContact O-N 2.89Å; Q370-N373 PolarHBondContact O-N 2.91Å; Q370-L374 WeakPolarHBondContact O-CG 3.47Å; Q370-L374 PolarHBondContact O-N 3.4Å |
| 371 | A | 96.8 | Very high | 97.5 | Very high | 44 Ų | 44 | 91.4 Ų | 91.4 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -49 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | V367 K368 N373 L374 E375 | V367-A371 PolarHBondContact O-N 2.83Å; K368-A371 PolarHBondContact O-N 3.49Å; A371-N373 VanDerWaalsContact C-N 3.3Å; A371-N373 PolarHBondContact O-N 3.05Å; A371-L374 PolarHBondContact O-N 3.44Å; A371-L374 VanDerWaalsContact O-N 3.14Å; A371-E375 WeakPolarHBondContact O-CG 3.5Å; A371-E375 PolarHBondContact O-N 2.92Å |
| 372 | S | 97.4 | Very high | 97.5 | Very high | 50 Ų | 50 | 90 Ų | 90 | 35% | 0.35 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 177.6 | 65.7 | 0 | 0 | 0 | 0 | 112.4 | K368 K369 E375 T376 | K368-S372 PolarHBondContact O-N 2.84Å; K368-S372 PolarHBondContact O-OG 3.36Å; K369-S372 WeakPolarHBondContact CA-OG 3.45Å; K369-S372 PolarHBondContact O-OG 3.33Å; S372-E375 PolarHBondContact O-N 3.33Å; S372-T376 WeakPolarHBondContact O-CG2 3.42Å; S372-T376 PolarHBondContact O-N 3.16Å; S372-T376 PolarHBondContact O-OG1 3.45Å |
| 373 | N | 98 | Very high | 97.5 | Very high | 87 Ų | 87 | 92.7 Ų | 92.7 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 176.3 | -71 | -9.3 | 0 | 0 | 0 | 111.6 | K369 Q370 A371 T376 A377 | K369-N373 WeakPolarHBondContact O-CB 3.39Å; K369-N373 PolarHBondContact O-N 2.87Å; K369-N373 PolarHBondContact O-ND2 3.02Å; K369-N373 PolarHBondContact O-OD1 3.2Å; Q370-N373 PolarHBondContact O-N 2.91Å; A371-N373 VanDerWaalsContact C-N 3.3Å; A371-N373 PolarHBondContact O-N 3.05Å; N373-T376 WeakPolarHBondContact CA-OG1 3.31Å; N373-T376 PolarHBondContact O-N 3.37Å; N373-T376 PolarHBondContact O-OG1 2.9Å; N373-A377 WeakPolarHBondContact O-CB 3.33Å; N373-A377 PolarHBondContact O-N 3.22Å |
| 374 | L | 96.9 | Very high | 97.4 | Very high | 117 Ų | 117 | 95.7 Ų | 95.7 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.5 | -41.3 | 175.9 | -71.4 | 173.8 | 0 | 0 | 0 | 111.5 | Q370 A371 T376 A377 I378 | Q370-L374 WeakPolarHBondContact O-CG 3.47Å; Q370-L374 PolarHBondContact O-N 3.4Å; A371-L374 PolarHBondContact O-N 3.44Å; A371-L374 VanDerWaalsContact O-N 3.14Å; L374-T376 VanDerWaalsContact C-N 3.35Å; L374-T376 PolarHBondContact O-N 2.98Å; L374-A377 PolarHBondContact O-N 3.38Å; L374-I378 VanDerWaalsContact O-CG1 3.27Å; L374-I378 WeakPolarHBondContact O-CG1 3.4Å; L374-I378 PolarHBondContact O-N 3.42Å |
| 375 | E | 97.6 | Very high | 97.3 | Very high | 132 Ų | 132 | 93.1 Ų | 93.1 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.1 | -45.2 | 173.3 | -74.2 | 172.2 | 179.2 | 0 | 0 | 111.5 | A371 S372 A377 I378 A379 | A371-E375 WeakPolarHBondContact O-CG 3.5Å; A371-E375 PolarHBondContact O-N 2.92Å; S372-E375 PolarHBondContact O-N 3.33Å; E375-A377 PolarHBondContact O-N 2.94Å; E375-I378 PolarHBondContact O-N 3.39Å; E375-A379 WeakPolarHBondContact O-CB 3.45Å; E375-A379 PolarHBondContact O-N 3.18Å |
| 376 | T | 97.6 | Very high | 97.3 | Very high | 80 Ų | 80 | 92 Ų | 92 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 174.8 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | S372 N373 L374 I378 A379 D380 | S372-T376 WeakPolarHBondContact O-CG2 3.42Å; S372-T376 PolarHBondContact O-N 3.16Å; S372-T376 PolarHBondContact O-OG1 3.45Å; N373-T376 WeakPolarHBondContact CA-OG1 3.31Å; N373-T376 PolarHBondContact O-N 3.37Å; N373-T376 PolarHBondContact O-OG1 2.9Å; L374-T376 VanDerWaalsContact C-N 3.35Å; L374-T376 PolarHBondContact O-N 2.98Å; T376-I378 VanDerWaalsContact C-N 3.35Å; T376-I378 PolarHBondContact O-N 2.92Å; T376-A379 PolarHBondContact O-N 3.33Å; T376-D380 WeakPolarHBondContact O-CB 3.41Å; T376-D380 VanDerWaalsContact O-CG 3.32Å; T376-D380 PolarHBondContact O-N 2.92Å |
| 377 | A | 97.2 | Very high | 97.2 | Very high | 50 Ų | 50 | 90.7 Ų | 90.7 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.8 | -34.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N373 L374 E375 A381 | N373-A377 WeakPolarHBondContact O-CB 3.33Å; N373-A377 PolarHBondContact O-N 3.22Å; L374-A377 PolarHBondContact O-N 3.38Å; E375-A377 PolarHBondContact O-N 2.94Å; A377-A381 WeakPolarHBondContact O-CB 3.44Å; A377-A381 PolarHBondContact O-N 3.38Å |
| 378 | I | 97.4 | Very high | 97.2 | Very high | 94 Ų | 94 | 89.1 Ų | 89.1 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -50.6 | 173 | -70 | 165.5 | 0 | 0 | 0 | 109.5 | L374 E375 T376 D380 A381 E382 | L374-I378 VanDerWaalsContact O-CG1 3.27Å; L374-I378 WeakPolarHBondContact O-CG1 3.4Å; L374-I378 PolarHBondContact O-N 3.42Å; E375-I378 PolarHBondContact O-N 3.39Å; T376-I378 VanDerWaalsContact C-N 3.35Å; T376-I378 PolarHBondContact O-N 2.92Å; I378-D380 VanDerWaalsContact C-N 3.3Å; I378-D380 PolarHBondContact O-N 2.95Å; I378-A381 WeakPolarHBondContact O-CA 3.35Å; I378-A381 WeakPolarHBondContact O-CB 3.44Å; I378-A381 PolarHBondContact O-N 3.14Å; I378-E382 HydrophobicContact CG2-CG 4.25Å; I378-E382 WeakPolarHBondContact O-CG 3.43Å; I378-E382 PolarHBondContact O-N 3.5Å |
| 379 | A | 97.8 | Very high | 97.2 | Very high | 49 Ų | 49 | 87.4 Ų | 87.4 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E375 T376 A381 E382 Q383 | E375-A379 WeakPolarHBondContact O-CB 3.45Å; E375-A379 PolarHBondContact O-N 3.18Å; T376-A379 PolarHBondContact O-N 3.33Å; A379-A381 VanDerWaalsContact C-N 3.34Å; A379-A381 PolarHBondContact O-N 3.1Å; A379-E382 PolarHBondContact O-N 2.68Å; A379-Q383 WeakPolarHBondContact O-CB 3.42Å; A379-Q383 PolarHBondContact O-N 2.83Å |
| 380 | D | 97.6 | Very high | 97.2 | Very high | 90 Ų | 90 | 87.1 Ų | 87.1 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.3 | -36 | 175.4 | -74.7 | -12.2 | 0 | 0 | 0 | 112.4 | T376 I378 R384 | T376-D380 WeakPolarHBondContact O-CB 3.41Å; T376-D380 VanDerWaalsContact O-CG 3.32Å; T376-D380 PolarHBondContact O-N 2.92Å; I378-D380 VanDerWaalsContact C-N 3.3Å; I378-D380 PolarHBondContact O-N 2.95Å; D380-R384 WeakPolarHBondContact O-CB 3.49Å; D380-R384 VanDerWaalsContact O-CG 3.32Å; D380-R384 WeakPolarHBondContact O-CG 3.12Å; D380-R384 PolarHBondContact O-N 3.17Å; D380-R384 PolarHBondContact O-NE 2.99Å |
| 381 | A | 95.2 | Very high | 97.2 | Very high | 42 Ų | 42 | 86.3 Ų | 86.3 | 35% | 0.347 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.5 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A377 I378 A379 R384 G385 | A377-A381 WeakPolarHBondContact O-CB 3.44Å; A377-A381 PolarHBondContact O-N 3.38Å; I378-A381 WeakPolarHBondContact O-CA 3.35Å; I378-A381 WeakPolarHBondContact O-CB 3.44Å; I378-A381 PolarHBondContact O-N 3.14Å; A379-A381 VanDerWaalsContact C-N 3.34Å; A379-A381 PolarHBondContact O-N 3.1Å; A381-R384 VanDerWaalsContact CA-NH2 3.34Å; A381-R384 PolarHBondContact O-N 2.97Å; A381-G385 PolarHBondContact O-N 3.06Å |
| 382 | E | 97.1 | Very high | 97.2 | Very high | 124 Ų | 124 | 86.9 Ų | 86.9 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.6 | -48.8 | 173.8 | -71.7 | 176.5 | 167.1 | 0 | 0 | 110.6 | I378 A379 R384 G385 D386 | I378-E382 HydrophobicContact CG2-CG 4.25Å; I378-E382 WeakPolarHBondContact O-CG 3.43Å; I378-E382 PolarHBondContact O-N 3.5Å; A379-E382 PolarHBondContact O-N 2.68Å; E382-R384 VanDerWaalsContact C-N 3.33Å; E382-R384 PolarHBondContact O-N 2.93Å; E382-G385 WeakPolarHBondContact O-CA 3.35Å; E382-G385 PolarHBondContact O-N 2.83Å; E382-G385 VanDerWaalsContact O-N 3.1Å; E382-D386 PolarHBondContact O-N 3.19Å |
| 383 | Q | 97.9 | Very high | 97.2 | Very high | 115 Ų | 115 | 92.3 Ų | 92.3 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 177.6 | -173.3 | -178.8 | 1.8 | 0 | 0 | 112.2 | A379 D386 N387 | A379-Q383 WeakPolarHBondContact O-CB 3.42Å; A379-Q383 PolarHBondContact O-N 2.83Å; Q383-D386 PolarHBondContact O-N 2.78Å; Q383-N387 WeakPolarHBondContact O-CB 3.25Å; Q383-N387 PolarHBondContact O-N 3.16Å; Q383-N387 PolarHBondContact O-ND2 3.42Å |
| 384 | R | 96 | Very high | 97.2 | Very high | 163 Ų | 163 | 90.9 Ų | 90.9 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 174.4 | -79.6 | -176.7 | -70.8 | 106.2 | -5.2 | 112 | D380 A381 E382 N387 A388 | D380-R384 WeakPolarHBondContact O-CB 3.49Å; D380-R384 VanDerWaalsContact O-CG 3.32Å; D380-R384 WeakPolarHBondContact O-CG 3.12Å; D380-R384 PolarHBondContact O-N 3.17Å; D380-R384 PolarHBondContact O-NE 2.99Å; A381-R384 VanDerWaalsContact CA-NH2 3.34Å; A381-R384 PolarHBondContact O-N 2.97Å; E382-R384 VanDerWaalsContact C-N 3.33Å; E382-R384 PolarHBondContact O-N 2.93Å; R384-N387 PolarHBondContact O-N 3.44Å; R384-A388 PolarHBondContact O-N 3.23Å |
| 385 | G | 95.9 | Very high | 97.3 | Very high | 33 Ų | 33 | 91.8 Ų | 91.8 | 34% | 0.34 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A381 E382 N387 A388 L389 | A381-G385 PolarHBondContact O-N 3.06Å; E382-G385 WeakPolarHBondContact O-CA 3.35Å; E382-G385 PolarHBondContact O-N 2.83Å; E382-G385 VanDerWaalsContact O-N 3.1Å; G385-N387 VanDerWaalsContact C-N 3.33Å; G385-N387 PolarHBondContact O-N 2.83Å; G385-A388 PolarHBondContact O-N 2.86Å; G385-L389 WeakPolarHBondContact O-CG 3.43Å; G385-L389 PolarHBondContact O-N 3.41Å |
| 386 | D | 97.6 | Very high | 97.3 | Very high | 92 Ų | 92 | 89.6 Ų | 89.6 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 177.8 | -81.2 | -10.8 | 0 | 0 | 0 | 112.4 | E382 Q383 L389 K390 | E382-D386 PolarHBondContact O-N 3.19Å; Q383-D386 PolarHBondContact O-N 2.78Å; D386-L389 PolarHBondContact O-N 3.34Å; D386-K390 VanDerWaalsContact O-CG 3.31Å; D386-K390 WeakPolarHBondContact O-CG 3.43Å; D386-K390 PolarHBondContact O-N 3.43Å |
| 387 | N | 97.1 | Very high | 97.3 | Very high | 70 Ų | 70 | 90.5 Ų | 90.5 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 175.9 | -70 | -19.2 | 0 | 0 | 0 | 111.5 | Q383 R384 G385 L389 K390 D391 | Q383-N387 WeakPolarHBondContact O-CB 3.25Å; Q383-N387 PolarHBondContact O-N 3.16Å; Q383-N387 PolarHBondContact O-ND2 3.42Å; R384-N387 PolarHBondContact O-N 3.44Å; G385-N387 VanDerWaalsContact C-N 3.33Å; G385-N387 PolarHBondContact O-N 2.83Å; N387-L389 VanDerWaalsContact C-N 3.3Å; N387-L389 PolarHBondContact O-N 2.95Å; N387-K390 PolarHBondContact O-N 2.85Å; N387-D391 PolarHBondContact O-N 3.46Å |
| 388 | A | 96.9 | Very high | 97.3 | Very high | 58 Ų | 58 | 95 Ų | 95 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R384 G385 D391 A392 | R384-A388 PolarHBondContact O-N 3.23Å; G385-A388 PolarHBondContact O-N 2.86Å; A388-D391 PolarHBondContact O-N 3.29Å; A388-A392 WeakPolarHBondContact O-CB 3.46Å; A388-A392 PolarHBondContact O-N 2.95Å |
| 389 | L | 97.5 | Very high | 97.3 | Very high | 93 Ų | 93 | 96.5 Ų | 96.5 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 174.3 | -72.9 | 177.2 | 0 | 0 | 0 | 112.2 | G385 D386 N387 A392 R393 | G385-L389 WeakPolarHBondContact O-CG 3.43Å; G385-L389 PolarHBondContact O-N 3.41Å; D386-L389 PolarHBondContact O-N 3.34Å; N387-L389 VanDerWaalsContact C-N 3.3Å; N387-L389 PolarHBondContact O-N 2.95Å; L389-A392 PolarHBondContact O-N 2.88Å; L389-R393 WeakPolarHBondContact O-CB 3.49Å; L389-R393 VanDerWaalsContact O-CG 3.3Å; L389-R393 WeakPolarHBondContact O-CG 3.35Å; L389-R393 PolarHBondContact O-N 2.95Å |
| 390 | K | 98.3 | Very high | 97.4 | Very high | 125 Ų | 125 | 99.3 Ų | 99.3 | 54% | 0.543 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 174.1 | -74.9 | 171.2 | -174.1 | 169.2 | 0 | 111.3 | D386 N387 R393 A394 | D386-K390 VanDerWaalsContact O-CG 3.31Å; D386-K390 WeakPolarHBondContact O-CG 3.43Å; D386-K390 PolarHBondContact O-N 3.43Å; N387-K390 PolarHBondContact O-N 2.85Å; K390-R393 PolarHBondContact O-N 3.29Å; K390-A394 WeakPolarHBondContact O-CB 3.33Å; K390-A394 PolarHBondContact O-N 3.17Å |
| 391 | D | 97.9 | Very high | 97.4 | Very high | 104 Ų | 104 | 96.4 Ų | 96.4 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 178 | -70.5 | -9.8 | 0 | 0 | 0 | 112 | N387 A388 A394 K395 | N387-D391 PolarHBondContact O-N 3.46Å; A388-D391 PolarHBondContact O-N 3.29Å; D391-A394 PolarHBondContact O-N 2.96Å; D391-K395 WeakPolarHBondContact O-CG 3.48Å; D391-K395 PolarHBondContact O-N 3.41Å |
| 392 | A | 97.2 | Very high | 97.5 | Very high | 56 Ų | 56 | 96.8 Ų | 96.8 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A388 L389 K395 L396 | A388-A392 WeakPolarHBondContact O-CB 3.46Å; A388-A392 PolarHBondContact O-N 2.95Å; L389-A392 PolarHBondContact O-N 2.88Å; A392-K395 PolarHBondContact O-N 2.86Å; A392-L396 PolarHBondContact O-N 3.18Å |
| 393 | R | 97.4 | Very high | 97.5 | Very high | 165 Ų | 165 | 95.2 Ų | 95.2 | 62% | 0.623 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -46.1 | 174.1 | -74.8 | 174.8 | -176.8 | 165.4 | 3.3 | 111.5 | L389 K390 K395 L396 D397 | L389-R393 WeakPolarHBondContact O-CB 3.49Å; L389-R393 VanDerWaalsContact O-CG 3.3Å; L389-R393 WeakPolarHBondContact O-CG 3.35Å; L389-R393 PolarHBondContact O-N 2.95Å; K390-R393 PolarHBondContact O-N 3.29Å; R393-K395 VanDerWaalsContact C-N 3.29Å; R393-K395 PolarHBondContact O-N 3.34Å; R393-L396 WeakPolarHBondContact O-CA 3.32Å; R393-L396 WeakPolarHBondContact O-CB 3.42Å; R393-L396 PolarHBondContact O-N 2.82Å; R393-D397 VanDerWaalsContact O-CG 3.29Å; R393-D397 PolarHBondContact O-N 3.44Å |
| 394 | A | 98.1 | Very high | 97.5 | Very high | 56 Ų | 56 | 95 Ų | 95 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.7 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K390 D391 D397 E398 | K390-A394 WeakPolarHBondContact O-CB 3.33Å; K390-A394 PolarHBondContact O-N 3.17Å; D391-A394 PolarHBondContact O-N 2.96Å; A394-D397 PolarHBondContact O-N 3.33Å; A394-E398 WeakPolarHBondContact O-CB 3.48Å; A394-E398 PolarHBondContact O-N 3.45Å |
| 395 | K | 97.9 | Very high | 97.6 | Very high | 136 Ų | 136 | 93.1 Ų | 93.1 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.8 | -37.3 | 174.2 | -73.7 | 175.9 | -177.7 | 175.5 | 0 | 112.9 | D391 A392 R393 L399 | D391-K395 WeakPolarHBondContact O-CG 3.48Å; D391-K395 PolarHBondContact O-N 3.41Å; A392-K395 PolarHBondContact O-N 2.86Å; R393-K395 VanDerWaalsContact C-N 3.29Å; R393-K395 PolarHBondContact O-N 3.34Å; K395-L399 WeakPolarHBondContact O-CB 3.38Å; K395-L399 VanDerWaalsContact O-CG 3.3Å; K395-L399 WeakPolarHBondContact O-CG 3.19Å; K395-L399 PolarHBondContact O-N 2.83Å |
| 396 | L | 97.4 | Very high | 97.7 | Very high | 87 Ų | 87 | 94.2 Ų | 94.2 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | 175.1 | -179.9 | 153.2 | 0 | 0 | 0 | 110.1 | A392 R393 E398 L399 E400 | A392-L396 PolarHBondContact O-N 3.18Å; R393-L396 WeakPolarHBondContact O-CA 3.32Å; R393-L396 WeakPolarHBondContact O-CB 3.42Å; R393-L396 PolarHBondContact O-N 2.82Å; L396-E398 VanDerWaalsContact C-N 3.29Å; L396-E398 PolarHBondContact O-N 3.44Å; L396-L399 PolarHBondContact O-N 3.04Å; L396-L399 VanDerWaalsContact O-N 3.16Å; L396-E400 HydrophobicContact CD2-CG 3.98Å; L396-E400 VanDerWaalsContact CD2-OE1 3.31Å; L396-E400 WeakPolarHBondContact CD2-OE1 3.3Å; L396-E400 HydrophobicContact CG-CG 4.5Å; L396-E400 WeakPolarHBondContact O-CB 3.25Å; L396-E400 WeakPolarHBondContact O-CG 3.39Å; L396-E400 PolarHBondContact O-N 3.27Å |
| 397 | D | 97.9 | Very high | 97.7 | Very high | 99 Ų | 99 | 95.8 Ų | 95.8 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 177.8 | -62.9 | -20.5 | 0 | 0 | 0 | 111.4 | R393 A394 E400 G401 | R393-D397 VanDerWaalsContact O-CG 3.29Å; R393-D397 PolarHBondContact O-N 3.44Å; A394-D397 PolarHBondContact O-N 3.33Å; D397-E400 PolarHBondContact O-N 2.78Å; D397-G401 PolarHBondContact O-N 2.86Å |
| 398 | E | 98.1 | Very high | 97.7 | Very high | 143 Ų | 143 | 98.6 Ų | 98.6 | 67% | 0.668 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.6 | -46.8 | 174.9 | -175.5 | -178.5 | -177.8 | 0 | 0 | 112 | A394 L396 G401 A402 | A394-E398 WeakPolarHBondContact O-CB 3.48Å; A394-E398 PolarHBondContact O-N 3.45Å; L396-E398 VanDerWaalsContact C-N 3.29Å; L396-E398 PolarHBondContact O-N 3.44Å; E398-G401 PolarHBondContact O-N 3.24Å; E398-A402 PolarHBondContact O-N 2.64Å |
| 399 | L | 97.5 | Very high | 97.8 | Very high | 126 Ų | 126 | 101.5 Ų | 101.5 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.4 | -39.2 | 178.4 | -72.3 | 174.1 | 0 | 0 | 0 | 112.3 | K395 L396 G401 A402 L403 | K395-L399 WeakPolarHBondContact O-CB 3.38Å; K395-L399 VanDerWaalsContact O-CG 3.3Å; K395-L399 WeakPolarHBondContact O-CG 3.19Å; K395-L399 PolarHBondContact O-N 2.83Å; L396-L399 PolarHBondContact O-N 3.04Å; L396-L399 VanDerWaalsContact O-N 3.16Å; L399-G401 VanDerWaalsContact C-N 3.31Å; L399-A402 PolarHBondContact O-N 3.29Å; L399-L403 VanDerWaalsContact O-CB 3.31Å; L399-L403 WeakPolarHBondContact O-CB 3.47Å; L399-L403 PolarHBondContact O-N 2.88Å |
| 400 | E | 97.9 | Very high | 97.8 | Very high | 108 Ų | 108 | 102.3 Ų | 102.3 | 51% | 0.505 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 174.2 | -74.5 | -172 | 167.5 | 0 | 0 | 111.7 | L396 D397 L403 H404 | L396-E400 HydrophobicContact CD2-CG 3.98Å; L396-E400 VanDerWaalsContact CD2-OE1 3.31Å; L396-E400 WeakPolarHBondContact CD2-OE1 3.3Å; L396-E400 HydrophobicContact CG-CG 4.5Å; L396-E400 WeakPolarHBondContact O-CB 3.25Å; L396-E400 WeakPolarHBondContact O-CG 3.39Å; L396-E400 PolarHBondContact O-N 3.27Å; D397-E400 PolarHBondContact O-N 2.78Å; E400-L403 PolarHBondContact O-N 3.36Å; E400-H404 PolarHBondContact O-N 3.41Å; E400-H404 PolarHBondContact O-ND1 3.04Å |
| 401 | G | 98 | Very high | 97.7 | Very high | 30 Ų | 30 | 98.5 Ų | 98.5 | 31% | 0.309 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D397 E398 L399 L403 H404 Q405 | D397-G401 PolarHBondContact O-N 2.86Å; E398-G401 PolarHBondContact O-N 3.24Å; L399-G401 VanDerWaalsContact C-N 3.31Å; G401-L403 VanDerWaalsContact C-N 3.29Å; G401-L403 PolarHBondContact O-N 2.91Å; G401-H404 PolarHBondContact O-N 3.41Å; G401-Q405 WeakPolarHBondContact O-CG 3.08Å; G401-Q405 PolarHBondContact O-N 2.93Å |
| 402 | A | 97.6 | Very high | 97.7 | Very high | 50 Ų | 50 | 98.1 Ų | 98.1 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E398 L399 Q405 A406 | E398-A402 PolarHBondContact O-N 2.64Å; L399-A402 PolarHBondContact O-N 3.29Å; A402-Q405 PolarHBondContact O-N 3.03Å; A402-A406 WeakPolarHBondContact O-CB 3.4Å; A402-A406 PolarHBondContact O-N 3.11Å |
| 403 | L | 97.6 | Very high | 97.7 | Very high | 91 Ų | 91 | 98.6 Ų | 98.6 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 175.7 | -179 | 136.1 | 0 | 0 | 0 | 112.2 | L399 E400 G401 K407 | L399-L403 VanDerWaalsContact O-CB 3.31Å; L399-L403 WeakPolarHBondContact O-CB 3.47Å; L399-L403 PolarHBondContact O-N 2.88Å; E400-L403 PolarHBondContact O-N 3.36Å; G401-L403 VanDerWaalsContact C-N 3.29Å; G401-L403 PolarHBondContact O-N 2.91Å; L403-K407 HydrophobicContact CD2-CD 4.06Å; L403-K407 WeakPolarHBondContact O-CG 3.39Å; L403-K407 PolarHBondContact O-N 3.42Å; L403-K407 VanDerWaalsContact O-N 3.1Å |
| 404 | H | 98.1 | Very high | 97.7 | Very high | 109 Ų | 109 | 96 Ų | 96 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 172.3 | -87.8 | 71.7 | 0 | 0 | 0 | 111.6 | E400 G401 A406 K407 E408 | E400-H404 PolarHBondContact O-N 3.41Å; E400-H404 PolarHBondContact O-ND1 3.04Å; G401-H404 PolarHBondContact O-N 3.41Å; H404-A406 VanDerWaalsContact C-N 3.35Å; H404-A406 PolarHBondContact O-N 3.13Å; H404-K407 WeakPolarHBondContact O-CB 3.38Å; H404-K407 PolarHBondContact O-N 3.24Å; H404-K407 VanDerWaalsContact O-N 3.14Å; H404-E408 WeakPolarHBondContact O-CG 3.35Å; H404-E408 PolarHBondContact O-N 3.41Å |
| 405 | Q | 97.9 | Very high | 97.6 | Very high | 125 Ų | 125 | 100 Ų | 100 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.2 | -45.5 | 177.2 | -70.5 | 173.6 | 0.4 | 0 | 0 | 111.8 | G401 A402 K407 E408 E409 | G401-Q405 WeakPolarHBondContact O-CG 3.08Å; G401-Q405 PolarHBondContact O-N 2.93Å; A402-Q405 PolarHBondContact O-N 3.03Å; Q405-K407 VanDerWaalsContact C-N 3.32Å; Q405-K407 PolarHBondContact O-N 3.34Å; Q405-E408 PolarHBondContact O-N 3.32Å; Q405-E409 WeakPolarHBondContact O-CG 3.36Å; Q405-E409 PolarHBondContact O-N 3.34Å |
| 406 | A | 97.1 | Very high | 97.6 | Very high | 55 Ų | 55 | 97.2 Ų | 97.2 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A402 H404 L410 | A402-A406 WeakPolarHBondContact O-CB 3.4Å; A402-A406 PolarHBondContact O-N 3.11Å; H404-A406 VanDerWaalsContact C-N 3.35Å; H404-A406 PolarHBondContact O-N 3.13Å; A406-L410 WeakPolarHBondContact O-CB 3.39Å; A406-L410 PolarHBondContact O-N 2.79Å |
| 407 | K | 97.8 | Very high | 97.6 | Very high | 126 Ų | 126 | 100.2 Ų | 100.2 | 55% | 0.548 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 173.7 | -76.5 | 174.5 | 176.9 | 176.2 | 0 | 111.8 | L403 H404 Q405 L410 A411 | L403-K407 HydrophobicContact CD2-CD 4.06Å; L403-K407 WeakPolarHBondContact O-CG 3.39Å; L403-K407 PolarHBondContact O-N 3.42Å; L403-K407 VanDerWaalsContact O-N 3.1Å; H404-K407 WeakPolarHBondContact O-CB 3.38Å; H404-K407 PolarHBondContact O-N 3.24Å; H404-K407 VanDerWaalsContact O-N 3.14Å; Q405-K407 VanDerWaalsContact C-N 3.32Å; Q405-K407 PolarHBondContact O-N 3.34Å; K407-L410 PolarHBondContact O-N 3.48Å; K407-A411 WeakPolarHBondContact O-CB 3.49Å; K407-A411 PolarHBondContact O-N 2.93Å |
| 408 | E | 98.1 | Very high | 97.6 | Very high | 129 Ų | 129 | 101.7 Ų | 101.7 | 60% | 0.603 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 176.2 | -72.3 | 176.9 | -174.9 | 0 | 0 | 111.7 | H404 Q405 A411 R412 | H404-E408 WeakPolarHBondContact O-CG 3.35Å; H404-E408 PolarHBondContact O-N 3.41Å; Q405-E408 PolarHBondContact O-N 3.32Å; E408-A411 PolarHBondContact O-N 3.49Å; E408-R412 WeakPolarHBondContact O-CB 3.19Å; E408-R412 PolarHBondContact O-N 2.97Å |
| 409 | E | 97.8 | Very high | 97.5 | Very high | 119 Ų | 119 | 100.7 Ų | 100.7 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -43.7 | 174.2 | -75.8 | -175.3 | 175.1 | 0 | 0 | 112.1 | Q405 A411 R412 M413 | Q405-E409 WeakPolarHBondContact O-CG 3.36Å; Q405-E409 PolarHBondContact O-N 3.34Å; E409-A411 VanDerWaalsContact C-N 3.33Å; E409-A411 PolarHBondContact O-N 2.86Å; E409-R412 WeakPolarHBondContact O-CB 3.35Å; E409-R412 PolarHBondContact O-N 3.41Å; E409-M413 WeakPolarHBondContact O-CG 3.27Å; E409-M413 PolarHBondContact O-N 3.24Å |
| 410 | L | 97.3 | Very high | 97.5 | Very high | 109 Ų | 109 | 100 Ų | 100 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -45 | 174.7 | 179.2 | 63.9 | 0 | 0 | 0 | 111.2 | A406 K407 R412 M413 L414 | A406-L410 WeakPolarHBondContact O-CB 3.39Å; A406-L410 PolarHBondContact O-N 2.79Å; K407-L410 PolarHBondContact O-N 3.48Å; L410-R412 VanDerWaalsContact C-N 3.29Å; L410-R412 PolarHBondContact O-N 2.99Å; L410-M413 PolarHBondContact O-N 2.59Å; L410-L414 HydrophobicContact CG-CD1 4.33Å; L410-L414 WeakPolarHBondContact O-CG 3.42Å; L410-L414 PolarHBondContact O-N 3.26Å |
| 411 | A | 97.3 | Very high | 97.4 | Very high | 45 Ų | 45 | 99.7 Ų | 99.7 | 37% | 0.372 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K407 E408 E409 R415 | K407-A411 WeakPolarHBondContact O-CB 3.49Å; K407-A411 PolarHBondContact O-N 2.93Å; E408-A411 PolarHBondContact O-N 3.49Å; E409-A411 VanDerWaalsContact C-N 3.33Å; E409-A411 PolarHBondContact O-N 2.86Å; A411-R415 PolarHBondContact O-N 2.94Å |
| 412 | R | 97.9 | Very high | 97.4 | Very high | 96 Ų | 96 | 101.4 Ų | 101.4 | 36% | 0.362 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -50.4 | 173.2 | -176.7 | -174.7 | 62 | 75 | 4.8 | 111.5 | E408 E409 L410 L414 R415 E416 | E408-R412 WeakPolarHBondContact O-CB 3.19Å; E408-R412 PolarHBondContact O-N 2.97Å; E409-R412 WeakPolarHBondContact O-CB 3.35Å; E409-R412 PolarHBondContact O-N 3.41Å; L410-R412 VanDerWaalsContact C-N 3.29Å; L410-R412 PolarHBondContact O-N 2.99Å; R412-L414 VanDerWaalsContact C-N 3.3Å; R412-L414 PolarHBondContact O-N 2.98Å; R412-R415 WeakPolarHBondContact O-CB 3.03Å; R412-R415 PolarHBondContact O-N 3.4Å; R412-R415 VanDerWaalsContact O-N 3.11Å; R412-E416 WeakPolarHBondContact CG-OE1 3.35Å; R412-E416 IonicContact CZ-OE1 3.86Å; R412-E416 IonicContact NH1-OE1 3.15Å; R412-E416 PolarHBondContact NH1-OE1 3Å; R412-E416 IonicContact NH1-OE2 3.4Å; R412-E416 PolarHBondContact NH1-OE2 2.85Å; R412-E416 PolarHBondContact O-N 3.44Å |
| 413 | M | 96.5 | Very high | 97.4 | Very high | 67 Ų | 67 | 103.7 Ų | 103.7 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 178 | -69.7 | -64.1 | -60.7 | 0 | 0 | 111.4 | E409 L410 R415 E416 Y417 | E409-M413 WeakPolarHBondContact O-CG 3.27Å; E409-M413 PolarHBondContact O-N 3.24Å; L410-M413 PolarHBondContact O-N 2.59Å; M413-R415 VanDerWaalsContact C-N 3.32Å; M413-R415 PolarHBondContact O-N 3.38Å; M413-E416 PolarHBondContact O-N 2.91Å; M413-Y417 HydrophobicContact CB-CD2 4.44Å; M413-Y417 HydrophobicContact CB-CE2 4.4Å; M413-Y417 HydrophobicContact CE-CE2 3.81Å; M413-Y417 WeakPolarHBondContact O-CD2 3.49Å; M413-Y417 PolarHBondContact O-N 3.4Å |
| 414 | L | 97.4 | Very high | 97.4 | Very high | 110 Ų | 110 | 104.5 Ų | 104.5 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.3 | -39.9 | 176.5 | -76.2 | 170.9 | 0 | 0 | 0 | 112.7 | L410 R412 Q418 | L410-L414 HydrophobicContact CG-CD1 4.33Å; L410-L414 WeakPolarHBondContact O-CG 3.42Å; L410-L414 PolarHBondContact O-N 3.26Å; R412-L414 VanDerWaalsContact C-N 3.3Å; R412-L414 PolarHBondContact O-N 2.98Å; L414-Q418 WeakPolarHBondContact O-CB 3.46Å; L414-Q418 PolarHBondContact O-N 3.5Å |
| 415 | R | 97.3 | Very high | 97.3 | Very high | 140 Ų | 140 | 103.8 Ų | 103.8 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 173.9 | -78.1 | -176.1 | -81.3 | 101.3 | -6 | 111.6 | A411 R412 M413 Y417 Q418 E419 | A411-R415 PolarHBondContact O-N 2.94Å; R412-R415 WeakPolarHBondContact O-CB 3.03Å; R412-R415 PolarHBondContact O-N 3.4Å; R412-R415 VanDerWaalsContact O-N 3.11Å; M413-R415 VanDerWaalsContact C-N 3.32Å; M413-R415 PolarHBondContact O-N 3.38Å; R415-Y417 VanDerWaalsContact C-N 3.33Å; R415-Y417 PolarHBondContact O-N 3.16Å; R415-Q418 WeakPolarHBondContact O-CB 3.42Å; R415-Q418 PolarHBondContact O-N 2.95Å; R415-Q418 VanDerWaalsContact O-N 3.13Å; R415-E419 WeakPolarHBondContact O-CG 3.47Å; R415-E419 PolarHBondContact O-N 3.06Å |
| 416 | E | 97.3 | Very high | 97.3 | Very high | 78 Ų | 78 | 99.9 Ų | 99.9 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 177.6 | -71.6 | 169 | -169 | 0 | 0 | 112.2 | R412 M413 E419 L420 | R412-E416 WeakPolarHBondContact CG-OE1 3.35Å; R412-E416 IonicContact CZ-OE1 3.86Å; R412-E416 IonicContact NH1-OE1 3.15Å; R412-E416 PolarHBondContact NH1-OE1 3Å; R412-E416 IonicContact NH1-OE2 3.4Å; R412-E416 PolarHBondContact NH1-OE2 2.85Å; R412-E416 PolarHBondContact O-N 3.44Å; M413-E416 PolarHBondContact O-N 2.91Å; E416-E419 PolarHBondContact O-N 2.93Å; E416-L420 WeakPolarHBondContact O-CB 3.4Å; E416-L420 PolarHBondContact O-N 2.97Å |
| 417 | Y | 97.3 | Very high | 97.2 | Very high | 150 Ų | 150 | 101.2 Ų | 101.2 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.5 | -40.2 | 173.4 | -82.9 | -65 | 0 | 0 | 0 | 112.5 | M413 R415 L420 M421 | M413-Y417 HydrophobicContact CB-CD2 4.44Å; M413-Y417 HydrophobicContact CB-CE2 4.4Å; M413-Y417 HydrophobicContact CE-CE2 3.81Å; M413-Y417 WeakPolarHBondContact O-CD2 3.49Å; M413-Y417 PolarHBondContact O-N 3.4Å; R415-Y417 VanDerWaalsContact C-N 3.33Å; R415-Y417 PolarHBondContact O-N 3.16Å; Y417-L420 PolarHBondContact O-N 3.33Å; Y417-M421 WeakPolarHBondContact O-CB 3.38Å; Y417-M421 PolarHBondContact O-N 3.35Å |
| 418 | Q | 97.1 | Very high | 97.2 | Very high | 130 Ų | 130 | 98.4 Ų | 98.4 | 61% | 0.607 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.2 | -40.5 | 177.2 | -175.1 | 62.5 | 31.2 | 0 | 0 | 111.7 | L414 R415 M421 S422 | L414-Q418 WeakPolarHBondContact O-CB 3.46Å; L414-Q418 PolarHBondContact O-N 3.5Å; R415-Q418 WeakPolarHBondContact O-CB 3.42Å; R415-Q418 PolarHBondContact O-N 2.95Å; R415-Q418 VanDerWaalsContact O-N 3.13Å; Q418-M421 PolarHBondContact O-N 3.36Å; Q418-S422 PolarHBondContact O-N 2.92Å; Q418-S422 PolarHBondContact O-OG 2.9Å |
| 419 | E | 96.6 | Very high | 97 | Very high | 122 Ų | 122 | 98.7 Ų | 98.7 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 174.2 | -71.6 | 170.7 | -166.5 | 0 | 0 | 111.8 | R415 E416 M421 S422 L423 | R415-E419 WeakPolarHBondContact O-CG 3.47Å; R415-E419 PolarHBondContact O-N 3.06Å; E416-E419 PolarHBondContact O-N 2.93Å; E419-M421 VanDerWaalsContact C-N 3.35Å; E419-S422 PolarHBondContact O-N 3.24Å; E419-S422 PolarHBondContact O-OG 3.28Å; E419-L423 WeakPolarHBondContact O-CB 3.42Å; E419-L423 PolarHBondContact O-N 3.37Å |
| 420 | L | 97.5 | Very high | 97 | Very high | 110 Ų | 110 | 97.6 Ų | 97.6 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.1 | -39.2 | 175.7 | -174.7 | 62.2 | 0 | 0 | 0 | 111.8 | E416 Y417 L423 K424 | E416-L420 WeakPolarHBondContact O-CB 3.4Å; E416-L420 PolarHBondContact O-N 2.97Å; Y417-L420 PolarHBondContact O-N 3.33Å; L420-L423 PolarHBondContact O-N 2.8Å; L420-K424 WeakPolarHBondContact O-CB 3.34Å; L420-K424 PolarHBondContact O-N 2.9Å |
| 421 | M | 96.8 | Very high | 96.9 | Very high | 102 Ų | 102 | 96.1 Ų | 96.1 | 50% | 0.502 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 175 | -178.4 | 63.9 | 73.6 | 0 | 0 | 111.5 | Y417 Q418 E419 L423 K424 L425 | Y417-M421 WeakPolarHBondContact O-CB 3.38Å; Y417-M421 PolarHBondContact O-N 3.35Å; Q418-M421 PolarHBondContact O-N 3.36Å; E419-M421 VanDerWaalsContact C-N 3.35Å; M421-L423 VanDerWaalsContact C-N 3.34Å; M421-L423 PolarHBondContact O-N 2.96Å; M421-K424 PolarHBondContact O-N 3.21Å; M421-L425 HydrophobicContact CG-CD1 4.48Å; M421-L425 WeakPolarHBondContact O-CG 3.44Å; M421-L425 PolarHBondContact O-N 3.43Å |
| 422 | S | 97 | Very high | 96.7 | Very high | 66 Ų | 66 | 96.7 Ų | 96.7 | 46% | 0.462 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 177.9 | 67.8 | 0 | 0 | 0 | 0 | 111.7 | Q418 E419 L425 A426 | Q418-S422 PolarHBondContact O-N 2.92Å; Q418-S422 PolarHBondContact O-OG 2.9Å; E419-S422 PolarHBondContact O-N 3.24Å; E419-S422 PolarHBondContact O-OG 3.28Å; S422-L425 PolarHBondContact O-N 3.39Å; S422-A426 PolarHBondContact O-N 3.24Å |
| 423 | L | 97.6 | Very high | 96.5 | Very high | 98 Ų | 98 | 95.9 Ų | 95.9 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 173.2 | -173.9 | 69 | 0 | 0 | 0 | 111.8 | E419 L420 M421 L425 A426 L427 | E419-L423 WeakPolarHBondContact O-CB 3.42Å; E419-L423 PolarHBondContact O-N 3.37Å; L420-L423 PolarHBondContact O-N 2.8Å; M421-L423 VanDerWaalsContact C-N 3.34Å; M421-L423 PolarHBondContact O-N 2.96Å; L423-L425 VanDerWaalsContact C-N 3.34Å; L423-L425 PolarHBondContact O-N 3.22Å; L423-A426 WeakPolarHBondContact O-CB 3.48Å; L423-A426 PolarHBondContact O-N 3.41Å; L423-L427 HydrophobicContact CG-CD1 4.39Å; L423-L427 WeakPolarHBondContact O-CG 3.36Å; L423-L427 PolarHBondContact O-N 3.33Å |
| 424 | K | 97.3 | Very high | 96.5 | Very high | 108 Ų | 108 | 99.4 Ų | 99.4 | 47% | 0.47 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 176.4 | -174.6 | -90.4 | 177.7 | 178.7 | 0 | 111.5 | L420 M421 A426 L427 D428 | L420-K424 WeakPolarHBondContact O-CB 3.34Å; L420-K424 PolarHBondContact O-N 2.9Å; M421-K424 PolarHBondContact O-N 3.21Å; K424-A426 VanDerWaalsContact C-N 3.33Å; K424-L427 PolarHBondContact O-N 3.45Å; K424-D428 WeakPolarHBondContact CD-OD2 3.37Å; K424-D428 WeakPolarHBondContact CE-OD2 3.4Å; K424-D428 IonicContact NZ-OD1 3.69Å; K424-D428 IonicContact NZ-OD2 2.59Å; K424-D428 PolarHBondContact NZ-OD2 3.06Å; K424-D428 PolarHBondContact O-N 2.95Å |
| 425 | L | 96.8 | Very high | 96.3 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 176.5 | -69.9 | 174.5 | 0 | 0 | 0 | 111.8 | M421 S422 L423 D428 M429 | M421-L425 HydrophobicContact CG-CD1 4.48Å; M421-L425 WeakPolarHBondContact O-CG 3.44Å; M421-L425 PolarHBondContact O-N 3.43Å; S422-L425 PolarHBondContact O-N 3.39Å; L423-L425 VanDerWaalsContact C-N 3.34Å; L423-L425 PolarHBondContact O-N 3.22Å; L425-D428 PolarHBondContact O-N 2.97Å; L425-M429 WeakPolarHBondContact O-CG 3.39Å; L425-M429 PolarHBondContact O-N 3.36Å |
| 426 | A | 96.7 | Very high | 96 | Very high | 43 Ų | 43 | 102.5 Ų | 102.5 | 36% | 0.355 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S422 L423 K424 M429 E430 | S422-A426 PolarHBondContact O-N 3.24Å; L423-A426 WeakPolarHBondContact O-CB 3.48Å; L423-A426 PolarHBondContact O-N 3.41Å; K424-A426 VanDerWaalsContact C-N 3.33Å; A426-M429 WeakPolarHBondContact O-CB 3.38Å; A426-M429 PolarHBondContact O-N 3.35Å; A426-E430 PolarHBondContact O-N 2.9Å |
| 427 | L | 96.7 | Very high | 95.7 | Very high | 82 Ų | 82 | 104 Ų | 104 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 175.9 | -70.4 | 173.2 | 0 | 0 | 0 | 112.6 | L423 K424 M429 E430 I431 | L423-L427 HydrophobicContact CG-CD1 4.39Å; L423-L427 WeakPolarHBondContact O-CG 3.36Å; L423-L427 PolarHBondContact O-N 3.33Å; K424-L427 PolarHBondContact O-N 3.45Å; L427-M429 VanDerWaalsContact C-N 3.27Å; L427-M429 PolarHBondContact O-N 3.2Å; L427-E430 PolarHBondContact O-N 3.04Å; L427-I431 WeakPolarHBondContact O-CG1 3.47Å; L427-I431 PolarHBondContact O-N 3.46Å |
| 428 | D | 96.4 | Very high | 95.4 | Very high | 67 Ų | 67 | 101.4 Ų | 101.4 | 36% | 0.358 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 173.9 | -74.2 | -23.8 | 0 | 0 | 0 | 111.7 | K424 L425 I431 A432 | K424-D428 WeakPolarHBondContact CD-OD2 3.37Å; K424-D428 WeakPolarHBondContact CE-OD2 3.4Å; K424-D428 IonicContact NZ-OD1 3.69Å; K424-D428 IonicContact NZ-OD2 2.59Å; K424-D428 PolarHBondContact NZ-OD2 3.06Å; K424-D428 PolarHBondContact O-N 2.95Å; L425-D428 PolarHBondContact O-N 2.97Å; D428-I431 PolarHBondContact O-N 2.97Å; D428-A432 WeakPolarHBondContact O-CB 3.04Å; D428-A432 PolarHBondContact O-N 3.01Å |
| 429 | M | 95.3 | Very high | 94.8 | Very high | 135 Ų | 135 | 100.5 Ų | 100.5 | 67% | 0.665 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -45.8 | 174 | -74.5 | -178.5 | 60.3 | 0 | 0 | 111 | L425 A426 L427 I431 A432 T433 | L425-M429 WeakPolarHBondContact O-CG 3.39Å; L425-M429 PolarHBondContact O-N 3.36Å; A426-M429 WeakPolarHBondContact O-CB 3.38Å; A426-M429 PolarHBondContact O-N 3.35Å; L427-M429 VanDerWaalsContact C-N 3.27Å; L427-M429 PolarHBondContact O-N 3.2Å; M429-I431 PolarHBondContact O-N 2.92Å; M429-A432 PolarHBondContact O-N 2.99Å; M429-T433 WeakPolarHBondContact O-CG2 3.5Å; M429-T433 PolarHBondContact O-N 3Å; M429-T433 PolarHBondContact O-OG1 2.82Å |
| 430 | E | 96.6 | Very high | 93.9 | Very high | 96 Ų | 96 | 97.6 Ų | 97.6 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 175.5 | -73 | 178.4 | -167.8 | 0 | 0 | 111.5 | A426 L427 A432 T433 Y434 | A426-E430 PolarHBondContact O-N 2.9Å; L427-E430 PolarHBondContact O-N 3.04Å; E430-A432 VanDerWaalsContact C-N 3.33Å; E430-A432 PolarHBondContact O-N 2.87Å; E430-T433 WeakPolarHBondContact CA-OG1 3.47Å; E430-T433 PolarHBondContact O-N 3.48Å; E430-T433 VanDerWaalsContact O-N 3.11Å; E430-T433 PolarHBondContact O-OG1 3.23Å; E430-Y434 HydrophobicContact CB-CD2 4.4Å; E430-Y434 HydrophobicContact CB-CE2 4.1Å; E430-Y434 WeakPolarHBondContact O-CD2 3.46Å; E430-Y434 PolarHBondContact O-N 3.4Å |
| 431 | I | 94.9 | Very high | 92.8 | Very high | 79 Ų | 79 | 97.7 Ų | 97.7 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 176.4 | -67 | 166.9 | 0 | 0 | 0 | 111.1 | L427 D428 M429 T433 Y434 R435 | L427-I431 WeakPolarHBondContact O-CG1 3.47Å; L427-I431 PolarHBondContact O-N 3.46Å; D428-I431 PolarHBondContact O-N 2.97Å; M429-I431 PolarHBondContact O-N 2.92Å; I431-T433 VanDerWaalsContact C-N 3.31Å; I431-T433 PolarHBondContact O-N 3.32Å; I431-Y434 PolarHBondContact O-N 3.5Å; I431-R435 HydrophobicContact CG2-CG 4.48Å; I431-R435 WeakPolarHBondContact O-CB 3.5Å; I431-R435 WeakPolarHBondContact O-CG 3.34Å; I431-R435 PolarHBondContact O-N 3.3Å |
| 432 | A | 94.8 | Very high | 91.7 | Very high | 57 Ų | 57 | 98.6 Ų | 98.6 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D428 M429 E430 R435 K436 | D428-A432 WeakPolarHBondContact O-CB 3.04Å; D428-A432 PolarHBondContact O-N 3.01Å; M429-A432 PolarHBondContact O-N 2.99Å; E430-A432 VanDerWaalsContact C-N 3.33Å; E430-A432 PolarHBondContact O-N 2.87Å; A432-R435 PolarHBondContact O-N 2.83Å; A432-K436 WeakPolarHBondContact O-CB 3.33Å; A432-K436 PolarHBondContact O-N 2.87Å |
| 433 | T | 92.3 | Very high | 90 | Very high | 79 Ų | 79 | 99.3 Ų | 99.3 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 174.1 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | M429 E430 I431 K436 L437 | M429-T433 WeakPolarHBondContact O-CG2 3.5Å; M429-T433 PolarHBondContact O-N 3Å; M429-T433 PolarHBondContact O-OG1 2.82Å; E430-T433 WeakPolarHBondContact CA-OG1 3.47Å; E430-T433 PolarHBondContact O-N 3.48Å; E430-T433 VanDerWaalsContact O-N 3.11Å; E430-T433 PolarHBondContact O-OG1 3.23Å; I431-T433 VanDerWaalsContact C-N 3.31Å; I431-T433 PolarHBondContact O-N 3.32Å; T433-K436 PolarHBondContact O-N 2.65Å; T433-L437 WeakPolarHBondContact O-CG 3.4Å; T433-L437 PolarHBondContact O-N 3Å |
| 434 | Y | 96.3 | Very high | 88.3 | Confident | 141 Ų | 141 | 104.5 Ų | 104.5 | 55% | 0.553 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 174.8 | -71.9 | -57.4 | 0 | 0 | 0 | 111.7 | E430 I431 K436 L437 L438 | E430-Y434 HydrophobicContact CB-CD2 4.4Å; E430-Y434 HydrophobicContact CB-CE2 4.1Å; E430-Y434 WeakPolarHBondContact O-CD2 3.46Å; E430-Y434 PolarHBondContact O-N 3.4Å; I431-Y434 PolarHBondContact O-N 3.5Å; Y434-K436 PolarHBondContact O-N 3.34Å; Y434-L437 PolarHBondContact O-N 2.87Å; Y434-L438 WeakPolarHBondContact O-CD1 3.49Å; Y434-L438 PolarHBondContact O-N 2.83Å |
| 435 | R | 93.8 | Very high | 86.4 | Confident | 162 Ų | 162 | 106.9 Ų | 106.9 | 61% | 0.611 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.2 | -45.2 | 174.6 | -76.1 | 179.2 | 178.2 | 166.2 | 1 | 112.2 | I431 A432 L437 L438 E439 | I431-R435 HydrophobicContact CG2-CG 4.48Å; I431-R435 WeakPolarHBondContact O-CB 3.5Å; I431-R435 WeakPolarHBondContact O-CG 3.34Å; I431-R435 PolarHBondContact O-N 3.3Å; A432-R435 PolarHBondContact O-N 2.83Å; R435-L437 VanDerWaalsContact C-N 3.31Å; R435-L437 PolarHBondContact O-N 3.01Å; R435-L438 WeakPolarHBondContact O-CB 3.5Å; R435-L438 PolarHBondContact O-N 3.46Å; R435-E439 WeakPolarHBondContact O-CB 3.44Å; R435-E439 WeakPolarHBondContact O-CG 3.31Å; R435-E439 PolarHBondContact O-N 3.11Å |
| 436 | K | 91.4 | Very high | 84.4 | Confident | 152 Ų | 152 | 106.8 Ų | 106.8 | 66% | 0.661 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.2 | -36.6 | 178.1 | -170.5 | 177.5 | -178.1 | -179.7 | 0 | 112.7 | A432 T433 Y434 S440 | A432-K436 WeakPolarHBondContact O-CB 3.33Å; A432-K436 PolarHBondContact O-N 2.87Å; T433-K436 PolarHBondContact O-N 2.65Å; Y434-K436 PolarHBondContact O-N 3.34Å; K436-S440 WeakPolarHBondContact O-CB 3.47Å; K436-S440 PolarHBondContact O-N 3.42Å; K436-S440 PolarHBondContact O-OG 3.39Å |
| 437 | L | 91.5 | Very high | 82.6 | Confident | 111 Ų | 111 | 108 Ų | 108 | 58% | 0.581 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.8 | -46.3 | 174 | -76.4 | 168.4 | 0 | 0 | 0 | 111.2 | T433 Y434 R435 S440 E441 | T433-L437 WeakPolarHBondContact O-CG 3.4Å; T433-L437 PolarHBondContact O-N 3Å; Y434-L437 PolarHBondContact O-N 2.87Å; R435-L437 VanDerWaalsContact C-N 3.31Å; R435-L437 PolarHBondContact O-N 3.01Å; L437-S440 PolarHBondContact O-N 3.49Å; L437-S440 PolarHBondContact O-OG 3.49Å; L437-E441 PolarHBondContact O-N 2.74Å |
| 438 | L | 89.4 | Confident | 80.4 | Confident | 95 Ų | 95 | 111.8 Ų | 111.8 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.2 | -48.3 | 174.6 | -83.2 | 150.8 | 0 | 0 | 0 | 111.9 | Y434 R435 S440 E441 E442 | Y434-L438 WeakPolarHBondContact O-CD1 3.49Å; Y434-L438 PolarHBondContact O-N 2.83Å; R435-L438 WeakPolarHBondContact O-CB 3.5Å; R435-L438 PolarHBondContact O-N 3.46Å; L438-S440 VanDerWaalsContact C-N 3.3Å; L438-S440 PolarHBondContact O-N 2.84Å; L438-E441 CarbonylContact O-C 3.59Å; L438-E441 WeakPolarHBondContact O-CB 3.38Å; L438-E441 PolarHBondContact O-N 3.13Å; L438-E442 WeakPolarHBondContact O-CG 3.4Å; L438-E442 PolarHBondContact O-N 3.21Å |
| 439 | E | 85.1 | Confident | 78.1 | Confident | 111 Ų | 111 | 117.4 Ų | 117.4 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -58.9 | -40.5 | 174.7 | -73.1 | 167.5 | -167.2 | 0 | 0 | 111.4 | R435 E441 E442 C443 | R435-E439 WeakPolarHBondContact O-CB 3.44Å; R435-E439 WeakPolarHBondContact O-CG 3.31Å; R435-E439 PolarHBondContact O-N 3.11Å; E439-E441 VanDerWaalsContact C-N 3.28Å; E439-E441 PolarHBondContact O-N 3.06Å; E439-E442 PolarHBondContact O-N 2.97Å; E439-C443 WeakPolarHBondContact O-CB 3.34Å; E439-C443 PolarHBondContact O-N 2.86Å; E439-C443 PolarHBondContact O-SG 3.41Å |
| 440 | S | 77.3 | Confident | 75.9 | Confident | 61 Ų | 61 | 116.9 Ų | 116.9 | 43% | 0.427 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.7 | -29.7 | 176.1 | 78.1 | 0 | 0 | 0 | 0 | 113.1 | K436 L437 L438 R444 | K436-S440 WeakPolarHBondContact O-CB 3.47Å; K436-S440 PolarHBondContact O-N 3.42Å; K436-S440 PolarHBondContact O-OG 3.39Å; L437-S440 PolarHBondContact O-N 3.49Å; L437-S440 PolarHBondContact O-OG 3.49Å; L438-S440 VanDerWaalsContact C-N 3.3Å; L438-S440 PolarHBondContact O-N 2.84Å; S440-R444 WeakPolarHBondContact O-CG 3.45Å; S440-R444 PolarHBondContact O-N 2.83Å |
| 441 | E | 75.9 | Confident | 73.5 | Confident | 111 Ų | 111 | 116.8 Ų | 116.8 | 52% | 0.519 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -76.9 | -41.9 | 174.6 | -171.1 | 171.7 | -151.5 | 0 | 0 | 111.3 | L437 L438 E439 C443 R444 M445 | L437-E441 PolarHBondContact O-N 2.74Å; L438-E441 CarbonylContact O-C 3.59Å; L438-E441 WeakPolarHBondContact O-CB 3.38Å; L438-E441 PolarHBondContact O-N 3.13Å; E439-E441 VanDerWaalsContact C-N 3.28Å; E439-E441 PolarHBondContact O-N 3.06Å; E441-C443 VanDerWaalsContact C-N 3.3Å; E441-C443 PolarHBondContact O-N 3.36Å; E441-R444 WeakPolarHBondContact O-CA 3.35Å; E441-R444 WeakPolarHBondContact O-CB 3.37Å; E441-R444 PolarHBondContact O-N 2.99Å; E441-M445 WeakPolarHBondContact O-CG 3.45Å; E441-M445 PolarHBondContact O-N 2.68Å |
| 442 | E | 72.3 | Confident | 71.3 | Confident | 121 Ų | 121 | 118.6 Ų | 118.6 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61.2 | -37.9 | 171.8 | -71.8 | 179 | 172.7 | 0 | 0 | 111.9 | L438 E439 R444 M445 S446 | L438-E442 WeakPolarHBondContact O-CG 3.4Å; L438-E442 PolarHBondContact O-N 3.21Å; E439-E442 PolarHBondContact O-N 2.97Å; E442-R444 VanDerWaalsContact C-N 3.29Å; E442-R444 PolarHBondContact O-N 3.28Å; E442-M445 PolarHBondContact O-N 3.16Å; E442-M445 VanDerWaalsContact O-N 3.13Å; E442-S446 VanDerWaalsContact O-CB 3.31Å; E442-S446 WeakPolarHBondContact O-CB 3.34Å; E442-S446 PolarHBondContact O-N 3.18Å; E442-S446 PolarHBondContact O-OG 3.28Å |
| 443 | C | 61.6 | Low | 68.9 | Low | 81 Ų | 81 | 121 Ų | 121 | 55% | 0.547 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62 | -33.3 | 170.9 | -74.9 | 0 | 0 | 0 | 0 | 112.5 | E439 E441 | E439-C443 WeakPolarHBondContact O-CB 3.34Å; E439-C443 PolarHBondContact O-N 2.86Å; E439-C443 PolarHBondContact O-SG 3.41Å; E441-C443 VanDerWaalsContact C-N 3.3Å; E441-C443 PolarHBondContact O-N 3.36Å |
| 444 | R | 61.8 | Low | 66.3 | Low | 207 Ų | 207 | 122.7 Ų | 122.7 | 78% | 0.781 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.9 | -31.7 | 172.8 | -69.4 | 171.5 | 68.8 | -160.9 | -0.1 | 112.4 | S440 E441 E442 | S440-R444 WeakPolarHBondContact O-CG 3.45Å; S440-R444 PolarHBondContact O-N 2.83Å; E441-R444 WeakPolarHBondContact O-CA 3.35Å; E441-R444 WeakPolarHBondContact O-CB 3.37Å; E441-R444 PolarHBondContact O-N 2.99Å; E442-R444 VanDerWaalsContact C-N 3.29Å; E442-R444 PolarHBondContact O-N 3.28Å |
| 445 | M | 57.2 | Low | 63.7 | Low | 159 Ų | 159 | 122.5 Ų | 122.5 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -85.4 | -26.7 | -178.5 | -64.2 | -60 | -68.4 | 0 | 0 | 113.6 | E441 E442 | E441-M445 WeakPolarHBondContact O-CG 3.45Å; E441-M445 PolarHBondContact O-N 2.68Å; E442-M445 PolarHBondContact O-N 3.16Å; E442-M445 VanDerWaalsContact O-N 3.13Å |
| 446 | S | 56 | Low | 61.1 | Low | 92 Ų | 92 | 119.8 Ų | 119.8 | 64% | 0.643 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -87.9 | -5.1 | -174.7 | -55.5 | 0 | 0 | 0 | 0 | 114.7 | E442 E448 | E442-S446 VanDerWaalsContact O-CB 3.31Å; E442-S446 WeakPolarHBondContact O-CB 3.34Å; E442-S446 PolarHBondContact O-N 3.18Å; E442-S446 PolarHBondContact O-OG 3.28Å; S446-E448 VanDerWaalsContact C-N 3.26Å; S446-E448 PolarHBondContact O-N 2.94Å; S446-E448 VanDerWaalsContact O-N 3.16Å |
| 447 | G | 57.3 | Low | 58.8 | Low | 70 Ų | 70 | 119.7 Ų | 119.7 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | trans | 71.5 | 4.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | F449 | G447-F449 PolarHBondContact O-N 3.48Š| ||
| 448 | E | 52.3 | Low | 56.3 | Low | 160 Ų | 160 | 122 Ų | 122 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -93.8 | 97.4 | 171 | -88.5 | 178.4 | 161.1 | 0 | 0 | 110.7 | S446 | S446-E448 VanDerWaalsContact C-N 3.26Å; S446-E448 PolarHBondContact O-N 2.94Å; S446-E448 VanDerWaalsContact O-N 3.16Å |
| 449 | F | 46.6 | Very low | 53.9 | Low | 185 Ų | 185 | 122.2 Ų | 122.2 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | trans | 87.4 | 118.8 | 170.2 | -63.6 | -83.1 | 0 | 0 | 0 | 118.8 | G447 | G447-F449 PolarHBondContact O-N 3.48Š| ||
| 450 | P | 49.7 | Very low | 51.6 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | trans | -77.9 | 124.7 | 169.1 | 31.3 | -29.5 | 0 | 0 | 0 | 110.6 | ||||
| 451 | S | 46.7 | Very low | 49.7 | Very low | 93 Ų | 93 | 125 Ų | 125 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | trans | -68.9 | 137.2 | 167.2 | 166.3 | 0 | 0 | 0 | 0 | 111.6 | V453 | S451-V453 PolarHBondContact OG-N 3.47Š| ||
| 452 | P | 48.4 | Very low | 47.9 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | trans | -88.9 | 101.3 | 150.3 | 31.2 | -25.8 | 0 | 0 | 0 | 109.5 | S454 | P452-S454 PolarHBondContact O-N 3Š| ||
| 453 | V | 43.7 | Very low | 46.2 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 66% | 0.655 | 75% | 0.745 | S | S | * | * | trans | -64.2 | 115.2 | 166.3 | 171.3 | 0 | 0 | 0 | 0 | 108.8 | S451 I455 | S451-V453 PolarHBondContact OG-N 3.47Å; V453-I455 HydrophobicContact CG1-CD1 3.81Å; V453-I455 HydrophobicContact CG1-CG1 3.69Å | ||
| 454 | S | 37.8 | Very low | 44.9 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -101.1 | 102.9 | 166.4 | -66.3 | 0 | 0 | 0 | 0 | 109 | P452 | P452-S454 PolarHBondContact O-N 3Š| ||
| 455 | I | 42.4 | Very low | 43.6 | Very low | 137 Ų | 137 | 120.1 Ų | 120.1 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | -91.3 | 118.1 | 169.7 | -68.4 | 157.1 | 0 | 0 | 0 | 107.3 | V453 I457 | V453-I455 HydrophobicContact CG1-CD1 3.81Å; V453-I455 HydrophobicContact CG1-CG1 3.69Å; I455-I457 HydrophobicContact CG2-CG1 4.27Å | ||
| 456 | S | 38.3 | Very low | 42.6 | Very low | 106 Ų | 106 | 115.2 Ų | 115.2 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -124.6 | 102.6 | 170.3 | -51.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 457 | I | 43.5 | Very low | 41.8 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -83.1 | 120.6 | 166.5 | -64.9 | 168.2 | 0 | 0 | 0 | 107 | I455 | I455-I457 HydrophobicContact CG2-CG1 4.27Š| ||
| 458 | I | 39.7 | Very low | 41.1 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -139.6 | 114.3 | 163.7 | -52.4 | 176.9 | 0 | 0 | 0 | 108.8 | ||||
| 459 | S | 37.7 | Very low | 40.4 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -98.3 | 130.2 | 165.3 | -69.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 460 | S | 38.5 | Very low | 40 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 64.3 | 114.1 | 149 | 64.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 461 | T | 35.4 | Very low | 39.5 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | 155.8 | 138.9 | 102.7 | 44.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 462 | S | 39.7 | Very low | 39 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 46.5 | 120.9 | 150.8 | 59.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 463 | G | 35.1 | Very low | 38.4 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | 152 | 89.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 464 | G | 34.8 | Very low | 38.2 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | 71.7 | 110.3 | 129.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 465 | S | 35.8 | Very low | 38.2 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 92% | 0.923 | 80% | 0.798 | S | S | * | * | 102.2 | 128.5 | 120.2 | -144.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 466 | G | 36 | Very low | 37.8 | Very low | 57 Ų | 57 | 125.7 Ų | 125.7 | 59% | 0.588 | 79% | 0.79 | S | S | * | * | trans | 80.3 | 119.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 467 | Y | 38.2 | Very low | 37.5 | Very low | 237 Ų | 237 | 123.7 Ų | 123.7 | 93% | 0.929 | 79% | 0.786 | S | S | * | * | cis | -152.4 | 143.8 | 47 | -71.9 | -92.1 | 0 | 0 | 0 | 110.7 | ||||
| 468 | G | 42.3 | Very low | 37.1 | Very low | 74 Ų | 74 | 127.8 Ų | 127.8 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -75.6 | 138.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 469 | F | 38.1 | Very low | 36.8 | Very low | 206 Ų | 206 | 126.8 Ų | 126.8 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -147.2 | 117.5 | 148.5 | -128.7 | -94.6 | 0 | 0 | 0 | 108.6 | ||||
| 470 | R | 37.5 | Very low | 36.9 | Very low | 238 Ų | 238 | 126 Ų | 126 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 136.8 | 175.6 | -87.8 | 177.2 | 153.9 | -154.6 | -3.5 | 110.6 | ||
| 471 | P | 40.3 | Very low | 36.6 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 124.4 | 151.1 | 11.7 | 7 | 0 | 0 | 0 | 109.3 | T473 | P471-T473 PolarHBondContact O-N 3.42Š|
| 472 | S | 35.1 | Very low | 36.6 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 119.1 | 173.3 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | V474 | S472-V474 PolarHBondContact O-N 3.02Š|
| 473 | T | 37.1 | Very low | 36.5 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | trans | -73.9 | 100.4 | 159 | 23.9 | 0 | 0 | 0 | 0 | 108.6 | P471 S475 | P471-T473 PolarHBondContact O-N 3.42Å; T473-S475 PolarHBondContact O-N 3.3Å | ||
| 474 | V | 38.5 | Very low | 36.3 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -89.2 | 98.8 | 161.8 | 173.8 | 0 | 0 | 0 | 0 | 107.9 | S472 G476 | S472-V474 PolarHBondContact O-N 3.02Å; V474-G476 PolarHBondContact O-N 3.39Å | ||
| 475 | S | 37.9 | Very low | 36.4 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -63 | 106.2 | 156.4 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | T473 | T473-S475 PolarHBondContact O-N 3.3Š| ||
| 476 | G | 34.3 | Very low | 36.2 | Very low | 52 Ų | 52 | 131 Ų | 131 | 54% | 0.536 | 79% | 0.792 | S | S | . | * | trans | -106.3 | 98.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V474 | V474-G476 PolarHBondContact O-N 3.39Š| ||
| 477 | G | 32.8 | Very low | 36.2 | Very low | 64 Ų | 64 | 133.8 Ų | 133.8 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | trans | -71.7 | 122.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 478 | Y | 34.2 | Very low | 35.7 | Very low | 235 Ų | 235 | 126.2 Ų | 126.2 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | trans | -89.6 | 99.8 | 160.6 | -60 | -80.9 | 0 | 0 | 0 | 107.1 | ||||
| 479 | V | 33.9 | Very low | 35.5 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -83.6 | 121.5 | 174.2 | -158.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 480 | A | 39.7 | Very low | 35.2 | Very low | 84 Ų | 84 | 125.3 Ų | 125.3 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -55.5 | 144.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 481 | N | 32.4 | Very low | 34.9 | Very low | 168 Ų | 168 | 119 Ų | 119 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -143.3 | 105.1 | 152 | -130.2 | 20.5 | 0 | 0 | 0 | 110.7 | ||||
| 482 | S | 35.3 | Very low | 34.6 | Very low | 92 Ų | 92 | 119.9 Ų | 119.9 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | trans | -80.3 | 140.9 | 159.5 | 49.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 483 | S | 38.3 | Very low | 34.5 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | 57.1 | 124.1 | 140.6 | -45 | 0 | 0 | 0 | 0 | 120 | ||||
| 484 | G | 30.5 | Very low | 34.2 | Very low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 168.7 | 93 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 485 | C | 35.3 | Very low | 33.8 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 145.7 | 160.8 | -44.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 486 | I | 31.7 | Very low | 33.7 | Very low | 167 Ų | 167 | 125.9 Ų | 125.9 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -179 | 125 | 135 | -88 | 150.5 | 0 | 0 | 0 | 109.5 | ||||
| 487 | S | 36.6 | Very low | 33.6 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 5.1 | 132.9 | 150.3 | -179.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 488 | G | 28.5 | Very low | 33.7 | Very low | 77 Ų | 77 | 135.8 Ų | 135.8 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -173.6 | 98.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 489 | V | 38 | Very low | 33.5 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 78% | 0.782 | 83% | 0.828 | S | S | * | * | trans | -46.2 | 138.7 | 168.9 | 174.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 490 | C | 30.3 | Very low | 33.8 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 89% | 0.892 | 83% | 0.834 | S | S | * | * | trans | -166.9 | 132.8 | 137 | -98.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 491 | S | 31.9 | Very low | 33.4 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | trans | -76.9 | 148.4 | 176 | -55.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 492 | V | 33.8 | Very low | 33.7 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | -146.3 | 102.6 | 149.4 | 177.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 493 | R | 34.5 | Very low | 33.6 | Very low | 250 Ų | 250 | 133.6 Ų | 133.6 | 94% | 0.943 | 84% | 0.844 | S | S | * | * | 64.3 | 108.9 | 73.5 | -149.8 | -177.8 | -153.9 | -132.6 | 4 | 113.7 | |||||
| 494 | G | 29.7 | Very low | 33.6 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | 154.7 | 101.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 495 | G | 30.9 | Very low | 33.9 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | 150.3 | 64.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 496 | E | 34.8 | Very low | 33.8 | Very low | 206 Ų | 206 | 138.1 Ų | 138.1 | 96% | 0.963 | 83% | 0.825 | S | S | * | * | trans | -57.8 | 155.7 | 159.3 | -64 | 164.9 | 131 | 0 | 0 | 110.1 | ||||
| 497 | G | 32.6 | Very low | 33.8 | Very low | 68 Ų | 68 | 139.8 Ų | 139.8 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | cis | 172 | 156.9 | 5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 498 | R | 34 | Very low | 33.8 | Very low | 256 Ų | 256 | 141.1 Ų | 141.1 | 97% | 0.966 | 83% | 0.825 | S | S | * | * | trans | -153.8 | 123.3 | 152.6 | -109.5 | 168.2 | -166.1 | -131.7 | 2.4 | 110.1 | ||||
| 499 | S | 31.7 | Very low | 34.3 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -72.6 | 138.2 | -163.5 | -157.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 500 | R | 39.8 | Very low | 34.3 | Very low | 252 Ų | 252 | 146 Ų | 146 | 95% | 0.951 | 83% | 0.832 | S | S | * | * | trans | -89.2 | 102.3 | 164.6 | -137.9 | 177.6 | -175.6 | 173.8 | 0.1 | 106.2 | ||||
| 501 | G | 29.8 | Very low | 34.5 | Very low | 73 Ų | 73 | 143.4 Ų | 143.4 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -102.8 | 116.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 502 | S | 40.6 | Very low | 34.8 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | -84 | 132.5 | 162.9 | -167.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 503 | A | 32.4 | Very low | 34.8 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -161.1 | 134.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 504 | S | 37.8 | Very low | 34.9 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 83% | 0.826 | S | S | * | * | trans | -82.4 | 166 | 178.8 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 505 | D | 36.8 | Very low | 35.2 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 67% | 0.668 | 83% | 0.825 | S | S | * | * | trans | 100.1 | 129.1 | 137.5 | -72.8 | -41.1 | 0 | 0 | 0 | 123.3 | ||||
| 506 | Y | 34.2 | Very low | 35.7 | Very low | 200 Ų | 200 | 144.9 Ų | 144.9 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | 60.9 | 117.3 | 157.9 | -66.2 | -73.5 | 0 | 0 | 0 | 121.8 | ||||
| 507 | K | 32.3 | Very low | 35.8 | Very low | 202 Ų | 202 | 140.8 Ų | 140.8 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | -172.8 | 131.9 | 98.8 | -120.4 | 174.9 | 178.3 | 173.6 | 0 | 114.6 | |||||
| 508 | D | 35.2 | Very low | 36.1 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | trans | -49.7 | 142.2 | 162.2 | -69.4 | -58.4 | 0 | 0 | 0 | 113.4 | ||||
| 509 | T | 39.1 | Very low | 36.9 | Very low | 145 Ų | 145 | 136 Ų | 136 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -132.2 | 111.9 | 143.3 | 42.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 510 | L | 37.7 | Very low | 37.5 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -66.4 | 121.1 | 167 | -160.5 | 88.5 | 0 | 0 | 0 | 108.9 | ||||
| 511 | G | 34.2 | Very low | 38 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -130.7 | 87.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 512 | K | 39.3 | Very low | 39 | Very low | 201 Ų | 201 | 140.2 Ų | 140.2 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -58.2 | 138.3 | 168 | -86.4 | 171.7 | 168.5 | 174.5 | 0 | 110.8 | ||||
| 513 | G | 32.9 | Very low | 39.6 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | -167.8 | 68.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 514 | S | 38.2 | Very low | 40.5 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -62.4 | 130.7 | 167.5 | 40.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 515 | S | 35.6 | Very low | 41.2 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 83% | 0.832 | 85% | 0.849 | S | S | * | * | trans | -156.9 | 121.3 | 138.2 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 516 | L | 40.3 | Very low | 41.4 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 92% | 0.916 | 86% | 0.858 | S | S | * | * | trans | -71 | 138.9 | 164.3 | -74.9 | 114.1 | 0 | 0 | 0 | 109.5 | ||||
| 517 | S | 37.1 | Very low | 41.7 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 84% | 0.839 | 86% | 0.862 | S | S | * | * | trans | -156.2 | 115.2 | 142.4 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 518 | A | 40.1 | Very low | 42.3 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 79% | 0.793 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 173.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 519 | P | 49.3 | Very low | 42.7 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 82% | 0.818 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 151.5 | -151.8 | 35.7 | -34.4 | 0 | 0 | 0 | 114 | ||
| 520 | S | 45.5 | Very low | 42.9 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 83% | 0.832 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 123.9 | 167.9 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 521 | K | 49.1 | Very low | 43.3 | Very low | 207 Ų | 207 | 145.5 Ų | 145.5 | 90% | 0.9 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 134.5 | 163.3 | -72.4 | 171.8 | 172.2 | 176.3 | 0 | 110 | ||
| 522 | K | 52.2 | Low | 43.9 | Very low | 210 Ų | 210 | 150.3 Ų | 150.3 | 91% | 0.913 | 87% | 0.87 | S | S | * | * | trans | -139.3 | 110.3 | 148.4 | -101.7 | -178.9 | -179.4 | 177.3 | 0 | 109.7 | ||||
| 523 | A | 52.4 | Low | 44.3 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 83% | 0.826 | 87% | 0.87 | S | S | * | * | trans | -69 | 138.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 524 | S | 51.3 | Low | 45.2 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 81% | 0.811 | 88% | 0.876 | S | S | * | * | trans | -170.2 | 122.1 | 139 | -148.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 525 | R | 51.6 | Low | 45.9 | Very low | 319 Ų | 319 | 155.2 Ų | 155.2 | 100% | 1.204 | 88% | 0.881 | S | S | * | * | trans | 61.6 | 0 | 164.4 | -80.3 | -175.4 | 170.5 | -176 | -2.9 | 120.1 |
Retrieved 525 of 525 residues in 138.8 ms
(Link to these results)