| 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 | 39.3 | Very low | 46 | Very low | 239 Ų | 239 | 156.4 Ų | 156.4 | 100% | 1.177 | 82% | 0.818 | S | S | * | * | 0 | 177.4 | 0 | -79.6 | 115 | 86.3 | 0 | 0 | 109.6 | |||||
| 2 | K | 40.9 | Very low | 45.9 | Very low | 197 Ų | 197 | 152.9 Ų | 152.9 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -31.8 | 153.2 | 168.7 | -60.9 | 170.4 | -179 | 175.1 | 0 | 114.1 | ||||
| 3 | K | 48.3 | Very low | 46.8 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 74% | 0.735 | 82% | 0.82 | S | S | * | * | cis | -167.5 | 156 | -5.6 | -109.1 | -166 | 168.3 | -154.4 | 0 | 105.9 | ||||
| 4 | Q | 51.6 | Low | 45.8 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 67% | 0.673 | 81% | 0.812 | S | S | * | * | 41.1 | 134.2 | 82.8 | -71.5 | -159.3 | -75.3 | 0 | 0 | 115.6 | |||||
| 5 | D | 50.9 | Low | 45.4 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 66% | 0.663 | 81% | 0.807 | S | S | * | * | cis | -156.6 | 178.9 | -6.2 | -75.1 | -44.5 | 0 | 0 | 0 | 107.3 | ||||
| 6 | T | 47.5 | Very low | 45.1 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | 159.1 | 146.9 | 132.2 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 7 | E | 50.6 | Low | 44.7 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -100.4 | -175.2 | -174.9 | -63.9 | -178.2 | 84.6 | 0 | 0 | 114.8 | ||||
| 8 | E | 37.9 | Very low | 44.7 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | 105.6 | 159.6 | 140.4 | -116.1 | -176.3 | 165.8 | 0 | 0 | 120.7 | ||||
| 9 | S | 42 | Very low | 45.8 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -160.3 | -162.8 | -169.6 | -56.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 10 | P | 63.4 | Low | 46.6 | Very low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | cis | -117 | 178 | -39.4 | 37.6 | -24.6 | 0 | 0 | 0 | 111.3 | ||||
| 11 | S | 33.2 | Very low | 46.4 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -165.3 | 159.7 | 151.9 | 7.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 12 | S | 44.6 | Very low | 46.3 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -147.6 | -171.8 | 171.4 | -53.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 13 | P | 58.7 | Low | 46.4 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | cis | -139.5 | -165.5 | 0.4 | 44.2 | -25.3 | 0 | 0 | 0 | 114.8 | ||||
| 14 | G | 32.9 | Very low | 46.1 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 114.7 | 152 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 15 | S | 39.8 | Very low | 45.8 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | cis | -174.9 | 134.6 | -18.1 | 41.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 16 | E | 39.3 | Very low | 45.2 | Very low | 190 Ų | 190 | 134.3 Ų | 134.3 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | 44.8 | 125.4 | 147.9 | -60.2 | 171.7 | 114.2 | 0 | 0 | 122 | ||||
| 17 | D | 39.5 | Very low | 45.1 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | -160.6 | 176.6 | 109 | -143.5 | -28.7 | 0 | 0 | 0 | 111.4 | |||||
| 18 | A | 43.4 | Very low | 45.5 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | trans | -122.1 | 170.7 | -153.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 19 | P | 65.9 | Low | 46.9 | Very low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -93.9 | -167.2 | -177.7 | 38.9 | -34.9 | 0 | 0 | 0 | 113.2 | ||||
| 20 | P | 61.8 | Low | 47.8 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | -147 | 164.1 | 100.3 | 39.4 | -24.6 | 0 | 0 | 0 | 116.6 | |||||
| 21 | T | 43.6 | Very low | 46.4 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -93.8 | 173.5 | 163.5 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 22 | G | 36.3 | Very low | 46.8 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -150 | 133.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 23 | E | 43.7 | Very low | 47.1 | Very low | 195 Ų | 195 | 124.4 Ų | 124.4 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -142.9 | 133 | 169.8 | -85.2 | -169.1 | 123.6 | 0 | 0 | 108.9 | ||||
| 24 | V | 41.9 | Very low | 47 | Very low | 150 Ų | 150 | 124 Ų | 124 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -147.1 | 141.8 | 161.8 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 25 | S | 45.4 | Very low | 47 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -66.9 | 160.5 | -175.4 | -36.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 26 | E | 37.8 | Very low | 47 | Very low | 195 Ų | 195 | 125.4 Ų | 125.4 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | -164 | 164.6 | 124 | -122.4 | -173.6 | 154.5 | 0 | 0 | 115.2 | |||||
| 27 | A | 45.6 | Very low | 48 | Very low | 80 Ų | 80 | 122 Ų | 122 | 66% | 0.661 | 81% | 0.808 | S | S | * | * | trans | -166.9 | 171.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 28 | P | 59.3 | Low | 48.6 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | cis | -132 | -111.9 | 13.3 | 25.4 | 3.5 | 0 | 0 | 0 | 117 | ||||
| 29 | P | 67 | Low | 48.1 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | -129.5 | -145.8 | -120.7 | 47.2 | -27.7 | 0 | 0 | 0 | 113 | |||||
| 30 | P | 60.3 | Low | 46.5 | Very low | 118 Ų | 118 | 119.1 Ų | 119.1 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | cis | -131.9 | 170.4 | -23.9 | 40.2 | -24.9 | 0 | 0 | 0 | 115.3 | ||||
| 31 | A | 34.1 | Very low | 45.1 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | 175.2 | 159.5 | 144.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 32 | A | 41.5 | Very low | 44.6 | Very low | 93 Ų | 93 | 118.8 Ų | 118.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -167.8 | 174.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 33 | P | 51.8 | Low | 44.5 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | cis | -121.4 | -116.9 | -25.7 | 22.8 | 2.8 | 0 | 0 | 0 | 113 | ||||
| 34 | P | 56.3 | Low | 44 | Very low | 122 Ų | 122 | 118.4 Ų | 118.4 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | -122.4 | 163.2 | -122.6 | 39.3 | -21.6 | 0 | 0 | 0 | 117.3 | |||||
| 35 | A | 33.3 | Very low | 43.5 | Very low | 108 Ų | 108 | 115 Ų | 115 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -153.2 | 154.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 36 | A | 40.4 | Very low | 42.8 | Very low | 96 Ų | 96 | 113.7 Ų | 113.7 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -164.6 | 171.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 37 | P | 58.8 | Low | 42.7 | Very low | 118 Ų | 118 | 109.4 Ų | 109.4 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | cis | -110.3 | -164.4 | -28.9 | 39.7 | -24.9 | 0 | 0 | 0 | 109.9 | ||||
| 38 | P | 52.1 | Low | 42.1 | Very low | 130 Ų | 130 | 112.3 Ų | 112.3 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | -144.2 | -171.1 | 79.9 | 37.5 | -17.7 | 0 | 0 | 0 | 113.9 | |||||
| 39 | A | 33.6 | Very low | 41.1 | Very low | 96 Ų | 96 | 112.7 Ų | 112.7 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -100.3 | 160.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 40 | A | 32 | Very low | 39.5 | Very low | 78 Ų | 78 | 114.1 Ų | 114.1 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | 151.7 | 136.6 | 109.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 41 | H | 33.3 | Very low | 38.1 | Very low | 189 Ų | 189 | 113.3 Ų | 113.3 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | 63.6 | 148.4 | 161 | -57.2 | -55.2 | 0 | 0 | 0 | 119 | ||||
| 42 | A | 33.2 | Very low | 39.1 | Very low | 75 Ų | 75 | 113.8 Ų | 113.8 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | cis | -166.1 | 157.6 | -18.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 43 | S | 33.8 | Very low | 38.6 | Very low | 120 Ų | 120 | 116.3 Ų | 116.3 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | 63.9 | 160.1 | 163.1 | -57 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 44 | T | 33.4 | Very low | 37.6 | Very low | 142 Ų | 142 | 121.4 Ų | 121.4 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | cis | -128.2 | 167.2 | -12.5 | 41.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 45 | G | 30.4 | Very low | 36.6 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | cis | 171.6 | 158.9 | -0.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 46 | G | 32.2 | Very low | 36.6 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | -156.3 | 125 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 47 | S | 35.7 | Very low | 36.4 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -89.3 | 145.2 | -167.4 | -109.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 48 | D | 32.7 | Very low | 35.3 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | 46.5 | 110.4 | 136.5 | -51.5 | -52.2 | 0 | 0 | 0 | 120.4 | ||||
| 49 | S | 38.2 | Very low | 34.3 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | -165 | 160.6 | 111.2 | 29.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 50 | N | 32.3 | Very low | 34.7 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | trans | -142.7 | 120 | -152.2 | -179.7 | 19.2 | 0 | 0 | 0 | 113.6 | ||||
| 51 | S | 32 | Very low | 35.1 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | 66 | 170.1 | 154.9 | -73 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 52 | P | 53.7 | Low | 35.1 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | cis | -138.6 | 178.4 | -42.6 | 36.5 | -20.3 | 0 | 0 | 0 | 114.8 | ||||
| 53 | N | 32.5 | Very low | 35.1 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | trans | 107.1 | 130.8 | 133.1 | -149.6 | 13.2 | 0 | 0 | 0 | 120.4 | ||||
| 54 | R | 30.4 | Very low | 35.1 | Very low | 230 Ų | 230 | 138.4 Ų | 138.4 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | 66.1 | 105.6 | 146.9 | -136.2 | 177.2 | -171.8 | -153.7 | 0.9 | 121.3 | ||||
| 55 | A | 34.1 | Very low | 35.1 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | -164.4 | 120.4 | 111.1 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 56 | E | 34.2 | Very low | 35.5 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -89.2 | 141.6 | 164.4 | -67.5 | 177.6 | 102.2 | 0 | 0 | 109.7 | ||||
| 57 | S | 35.3 | Very low | 35.6 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -154.9 | 137.7 | 159.6 | -80.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 58 | Q | 37.4 | Very low | 35.6 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | -101.9 | 142.5 | -163.8 | -60.9 | 174 | 0.2 | 0 | 0 | 111.8 | ||||
| 59 | S | 29.8 | Very low | 35.8 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -155.3 | 155.8 | 162 | -91.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 60 | P | 42.9 | Very low | 36 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -91.8 | 148.8 | -136 | -15 | 32.5 | 0 | 0 | 0 | 116.6 | A62 | P60-A62 PolarHBondContact O-N 3.4Š| ||
| 61 | R | 40.5 | Very low | 36.3 | Very low | 253 Ų | 253 | 141.1 Ų | 141.1 | 96% | 0.955 | 79% | 0.79 | S | S | * | * | trans | -64.5 | 94.3 | 169.2 | -178.9 | -173.6 | -178.6 | -167 | 2.6 | 111.5 | ||||
| 62 | A | 33.2 | Very low | 36.6 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 142.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P60 | P60-A62 PolarHBondContact O-N 3.4Š|
| 63 | K | 32.6 | Very low | 36.1 | Very low | 206 Ų | 206 | 138.8 Ų | 138.8 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 133.2 | -169.3 | -61.7 | 167.2 | -178.1 | 173.5 | 0 | 112.6 | ||
| 64 | S | 33 | Very low | 36.6 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 129.5 | 161.7 | 21.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 65 | P | 34.7 | Very low | 37.6 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -83.1 | 110.8 | 158.7 | 31.7 | -27.3 | 0 | 0 | 0 | 108.4 | Q67 | P65-Q67 VanDerWaalsContact C-N 3.26Å; P65-Q67 PolarHBondContact O-N 3.17Å | ||
| 66 | S | 38 | Very low | 38.3 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | trans | -73.8 | 80.9 | 170.8 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | T68 | S66-T68 PolarHBondContact O-N 3.31Å; S66-T68 VanDerWaalsContact O-N 3.1Å | ||
| 67 | Q | 35.3 | Very low | 38.9 | Very low | 183 Ų | 183 | 123.2 Ų | 123.2 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | trans | -68.2 | 105.8 | 167.6 | -83.5 | -171.9 | -35.5 | 0 | 0 | 109.1 | P65 N69 | P65-Q67 VanDerWaalsContact C-N 3.26Å; P65-Q67 PolarHBondContact O-N 3.17Å; Q67-N69 PolarHBondContact O-N 3.2Å | ||
| 68 | T | 35.4 | Very low | 39.9 | Very low | 121 Ų | 121 | 120.4 Ų | 120.4 | 74% | 0.742 | 69% | 0.692 | S | S | * | * | trans | -57.3 | 120.7 | 164.9 | 45.7 | 0 | 0 | 0 | 0 | 108.9 | S66 K70 | S66-T68 PolarHBondContact O-N 3.31Å; S66-T68 VanDerWaalsContact O-N 3.1Å; T68-K70 PolarHBondContact O-N 3.11Å | ||
| 69 | N | 37.3 | Very low | 40.7 | Very low | 162 Ų | 162 | 116.7 Ų | 116.7 | 87% | 0.866 | 67% | 0.674 | S | S | * | * | trans | -77.7 | 57 | 179.8 | -159.2 | 10.6 | 0 | 0 | 0 | 111.7 | Q67 | Q67-N69 PolarHBondContact O-N 3.2Š| ||
| 70 | K | 41.8 | Very low | 41.9 | Very low | 145 Ų | 145 | 114.6 Ų | 114.6 | 63% | 0.63 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 124.7 | 160.9 | -94.2 | -162.9 | 161.7 | -130.1 | 0 | 107.3 | T68 | T68-K70 PolarHBondContact O-N 3.11Š|
| 71 | G | 38.7 | Very low | 43.1 | Very low | 41 Ų | 41 | 113.8 Ų | 113.8 | 42% | 0.423 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 160.7 | -31.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N73 | G71-N73 VanDerWaalsContact C-N 3.29Å; G71-N73 PolarHBondContact O-N 2.89Å |
| 72 | G | 37.8 | Very low | 44.5 | Very low | 77 Ų | 77 | 105.6 Ų | 105.6 | 79% | 0.794 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -76.9 | -10 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 73 | N | 43 | Very low | 46.5 | Very low | 93 Ų | 93 | 103.6 Ų | 103.6 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -110.8 | -30.1 | -170.7 | -151 | 80 | 0 | 0 | 0 | 113.7 | G71 V75 A76 E77 | G71-N73 VanDerWaalsContact C-N 3.29Å; G71-N73 PolarHBondContact O-N 2.89Å; N73-V75 PolarHBondContact O-N 3.22Å; N73-A76 WeakPolarHBondContact O-CA 3.44Å; N73-A76 WeakPolarHBondContact O-CB 3.48Å; N73-A76 PolarHBondContact O-N 3.02Å; N73-E77 WeakPolarHBondContact ND2-CG 3.49Å; N73-E77 PolarHBondContact ND2-OE2 3.32Å; N73-E77 PolarHBondContact O-N 3.07Å |
| 74 | E | 42.8 | Very low | 48.7 | Very low | 101 Ų | 101 | 98.6 Ų | 98.6 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.9 | -26.7 | -174.5 | -67.9 | 179.6 | 156.9 | 0 | 0 | 112.9 | S78 | E74-S78 VanDerWaalsContact O-CB 3.25Å; E74-S78 WeakPolarHBondContact O-CB 3.39Å; E74-S78 PolarHBondContact O-N 3.2Å; E74-S78 PolarHBondContact O-OG 3.28Å |
| 75 | V | 51.9 | Low | 50.8 | Low | 92 Ų | 92 | 98.3 Ų | 98.3 | 56% | 0.558 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.8 | -31.6 | 173.4 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | N73 Q79 | N73-V75 PolarHBondContact O-N 3.22Å; V75-Q79 WeakPolarHBondContact O-CG 3.48Å; V75-Q79 PolarHBondContact O-N 3.27Å |
| 76 | A | 48.7 | Very low | 52.8 | Low | 51 Ų | 51 | 94.9 Ų | 94.9 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -77.1 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | N73 S78 Q79 C80 | N73-A76 WeakPolarHBondContact O-CA 3.44Å; N73-A76 WeakPolarHBondContact O-CB 3.48Å; N73-A76 PolarHBondContact O-N 3.02Å; A76-S78 PolarHBondContact O-N 3.1Å; A76-Q79 PolarHBondContact O-N 3.19Å; A76-C80 PolarHBondContact O-N 2.95Å; A76-C80 PolarHBondContact O-SG 3.13Å |
| 77 | E | 46.9 | Very low | 54.7 | Low | 83 Ų | 83 | 92.9 Ų | 92.9 | 39% | 0.388 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.2 | -49.1 | 171.3 | -74.3 | 165 | 114.8 | 0 | 0 | 110.6 | N73 Q79 C80 D81 | N73-E77 WeakPolarHBondContact ND2-CG 3.49Å; N73-E77 PolarHBondContact ND2-OE2 3.32Å; N73-E77 PolarHBondContact O-N 3.07Å; E77-Q79 VanDerWaalsContact C-N 3.29Å; E77-Q79 PolarHBondContact O-N 3.49Å; E77-C80 WeakPolarHBondContact O-CB 3.48Å; E77-C80 PolarHBondContact O-N 2.99Å; E77-C80 VanDerWaalsContact O-N 3.1Å; E77-D81 PolarHBondContact O-N 3.46Å |
| 78 | S | 56 | Low | 57.1 | Low | 67 Ų | 67 | 91.7 Ų | 91.7 | 47% | 0.469 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -30 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 114.4 | E74 A76 M82 | E74-S78 VanDerWaalsContact O-CB 3.25Å; E74-S78 WeakPolarHBondContact O-CB 3.39Å; E74-S78 PolarHBondContact O-N 3.2Å; E74-S78 PolarHBondContact O-OG 3.28Å; A76-S78 PolarHBondContact O-N 3.1Å; S78-M82 VanDerWaalsContact O-CG 3.28Å; S78-M82 WeakPolarHBondContact O-CG 3.44Å; S78-M82 PolarHBondContact O-N 3.28Å |
| 79 | Q | 55 | Low | 59.2 | Low | 102 Ų | 102 | 89.4 Ų | 89.4 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -79.1 | -33 | 175.4 | -78.3 | -171.4 | -13.4 | 0 | 0 | 112.3 | V75 A76 E77 A83 H277 | V75-Q79 WeakPolarHBondContact O-CG 3.48Å; V75-Q79 PolarHBondContact O-N 3.27Å; A76-Q79 PolarHBondContact O-N 3.19Å; E77-Q79 VanDerWaalsContact C-N 3.29Å; E77-Q79 PolarHBondContact O-N 3.49Å; Q79-A83 WeakPolarHBondContact O-CB 3.43Å; Q79-A83 PolarHBondContact O-N 3.14Å; Q79-H277 PolarHBondContact NE2-CE1 3.27Å; Q79-H277 PolarHBondContact NE2-NE2 3.31Å |
| 80 | C | 55 | Low | 61.2 | Low | 72 Ų | 72 | 84.6 Ų | 84.6 | 49% | 0.486 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.2 | -47.8 | 169.5 | -69.1 | 0 | 0 | 0 | 0 | 111.2 | A76 E77 M82 A83 E84 | A76-C80 PolarHBondContact O-N 2.95Å; A76-C80 PolarHBondContact O-SG 3.13Å; E77-C80 WeakPolarHBondContact O-CB 3.48Å; E77-C80 PolarHBondContact O-N 2.99Å; E77-C80 VanDerWaalsContact O-N 3.1Å; C80-M82 PolarHBondContact O-N 3.22Å; C80-A83 CarbonylContact O-C 3.57Å; C80-A83 PolarHBondContact O-N 2.95Å; C80-A83 VanDerWaalsContact O-N 3.07Å; C80-E84 PolarHBondContact O-N 3.28Å |
| 81 | D | 67.5 | Low | 63.2 | Low | 105 Ų | 105 | 83.8 Ų | 83.8 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -56.5 | -49 | -179.1 | -72.5 | -22.9 | 0 | 0 | 0 | 111.6 | E77 A83 E84 E85 | E77-D81 PolarHBondContact O-N 3.46Å; D81-A83 VanDerWaalsContact C-N 3.32Å; D81-A83 PolarHBondContact O-N 3.34Å; D81-E84 PolarHBondContact O-N 3.16Å; D81-E85 VanDerWaalsContact O-CB 3.29Å; D81-E85 WeakPolarHBondContact O-CB 3.43Å; D81-E85 PolarHBondContact O-N 3.19Å |
| 82 | M | 70.8 | Confident | 65.3 | Low | 82 Ų | 82 | 87 Ų | 87 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -38.1 | 176.3 | -70.8 | -90.8 | -63.6 | 0 | 0 | 112.5 | S78 C80 L86 Q273 | S78-M82 VanDerWaalsContact O-CG 3.28Å; S78-M82 WeakPolarHBondContact O-CG 3.44Å; S78-M82 PolarHBondContact O-N 3.28Å; C80-M82 PolarHBondContact O-N 3.22Å; M82-L86 VanDerWaalsContact O-CB 3.27Å; M82-L86 WeakPolarHBondContact O-CB 3.48Å; M82-L86 PolarHBondContact O-N 3.4Å; M82-L86 VanDerWaalsContact O-N 3.11Å; M82-Q273 HydrophobicContact CE-CB 4.24Å |
| 83 | A | 73.3 | Confident | 67.2 | Low | 52 Ų | 52 | 84.7 Ų | 84.7 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74.9 | -33.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q79 C80 D81 S87 | Q79-A83 WeakPolarHBondContact O-CB 3.43Å; Q79-A83 PolarHBondContact O-N 3.14Å; C80-A83 CarbonylContact O-C 3.57Å; C80-A83 PolarHBondContact O-N 2.95Å; C80-A83 VanDerWaalsContact O-N 3.07Å; D81-A83 VanDerWaalsContact C-N 3.32Å; D81-A83 PolarHBondContact O-N 3.34Å; A83-S87 WeakPolarHBondContact O-CB 3.47Å; A83-S87 PolarHBondContact O-N 3.49Å; A83-S87 PolarHBondContact O-OG 3.2Å |
| 84 | E | 79.1 | Confident | 68.9 | Low | 100 Ų | 100 | 85.2 Ų | 85.2 | 47% | 0.467 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -72.4 | -41.9 | 173.1 | -77.9 | -162.5 | -152.3 | 0 | 0 | 112.2 | C80 D81 L86 S87 R88 | C80-E84 PolarHBondContact O-N 3.28Å; D81-E84 PolarHBondContact O-N 3.16Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.1Å; E84-S87 PolarHBondContact O-N 3.23Å; E84-R88 WeakPolarHBondContact O-CB 3.42Å; E84-R88 WeakPolarHBondContact O-CD 3.48Å; E84-R88 WeakPolarHBondContact O-CG 3.46Å; E84-R88 PolarHBondContact O-N 3.22Å; E84-R88 IonicContact OE2-NE 2.77Å; E84-R88 IonicContact OE2-NH2 3.28Å; E84-R88 PolarHBondContact OE2-NH2 3.26Å; E84-R88 VanDerWaalsContact OE2-NH2 3.13Å |
| 85 | E | 78.1 | Confident | 70.7 | Confident | 107 Ų | 107 | 82.1 Ų | 82.1 | 50% | 0.5 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.1 | -47.6 | 173.2 | -171.5 | 69 | -145 | 0 | 0 | 110.3 | D81 S87 R88 Q89 | D81-E85 VanDerWaalsContact O-CB 3.29Å; D81-E85 WeakPolarHBondContact O-CB 3.43Å; D81-E85 PolarHBondContact O-N 3.19Å; E85-S87 PolarHBondContact O-N 3.41Å; E85-R88 PolarHBondContact O-N 3.22Å; E85-Q89 WeakPolarHBondContact O-CG 3.4Å; E85-Q89 PolarHBondContact O-N 3.44Å |
| 86 | L | 76.8 | Confident | 71.9 | Confident | 40 Ų | 40 | 80.9 Ų | 80.9 | 21% | 0.209 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 175.4 | -167.1 | 65.6 | 0 | 0 | 0 | 112.9 | M82 E84 Q89 L90 I270 | M82-L86 VanDerWaalsContact O-CB 3.27Å; M82-L86 WeakPolarHBondContact O-CB 3.48Å; M82-L86 PolarHBondContact O-N 3.4Å; M82-L86 VanDerWaalsContact O-N 3.11Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.1Å; L86-Q89 PolarHBondContact O-N 2.83Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 2.68Å; L86-L90 VanDerWaalsContact O-N 3.09Å; L86-I270 HydrophobicContact CD1-CB 4.24Å; L86-I270 HydrophobicContact CD1-CD1 3.66Å; L86-I270 HydrophobicContact CD1-CG1 3.64Å; L86-I270 HydrophobicContact CD1-CG2 4.02Å; L86-I270 HydrophobicContact CD2-CD1 4.24Å; L86-I270 HydrophobicContact CD2-CG2 3.75Å; L86-I270 HydrophobicContact CG-CD1 4.17Å; L86-I270 HydrophobicContact CG-CG2 4.49Å |
| 87 | S | 77.8 | Confident | 72.7 | Confident | 74 Ų | 74 | 81.3 Ų | 81.3 | 52% | 0.517 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | A83 E84 E85 L90 E91 | A83-S87 WeakPolarHBondContact O-CB 3.47Å; A83-S87 PolarHBondContact O-N 3.49Å; A83-S87 PolarHBondContact O-OG 3.2Å; E84-S87 PolarHBondContact O-N 3.23Å; E85-S87 PolarHBondContact O-N 3.41Å; S87-L90 PolarHBondContact O-N 3.29Å; S87-E91 WeakPolarHBondContact O-CB 3.49Å; S87-E91 PolarHBondContact O-N 3.47Å |
| 88 | R | 85.7 | Confident | 73.7 | Confident | 158 Ų | 158 | 81 Ų | 81 | 60% | 0.596 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | 175.6 | -69.8 | 159.8 | -170 | -103.1 | 2.1 | 112 | E84 E85 E91 D92 | E84-R88 WeakPolarHBondContact O-CB 3.42Å; E84-R88 WeakPolarHBondContact O-CD 3.48Å; E84-R88 WeakPolarHBondContact O-CG 3.46Å; E84-R88 PolarHBondContact O-N 3.22Å; E84-R88 IonicContact OE2-NE 2.77Å; E84-R88 IonicContact OE2-NH2 3.28Å; E84-R88 PolarHBondContact OE2-NH2 3.26Å; E84-R88 VanDerWaalsContact OE2-NH2 3.13Å; E85-R88 PolarHBondContact O-N 3.22Å; R88-E91 PolarHBondContact O-N 3.11Å; R88-D92 WeakPolarHBondContact O-CB 3.42Å; R88-D92 PolarHBondContact O-N 2.98Å |
| 89 | Q | 79.8 | Confident | 73.9 | Confident | 74 Ų | 74 | 85.5 Ų | 85.5 | 35% | 0.346 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 175.8 | -72 | 176.1 | 8.2 | 0 | 0 | 111.4 | E85 L86 E91 D92 I93 | E85-Q89 WeakPolarHBondContact O-CG 3.4Å; E85-Q89 PolarHBondContact O-N 3.44Å; L86-Q89 PolarHBondContact O-N 2.83Å; Q89-E91 PolarHBondContact O-N 3.31Å; Q89-D92 PolarHBondContact O-N 3.38Å; Q89-I93 VanDerWaalsContact O-CG1 3.23Å; Q89-I93 WeakPolarHBondContact O-CG1 3.48Å; Q89-I93 PolarHBondContact O-N 3.49Å; Q89-I93 VanDerWaalsContact O-N 3.1Å |
| 90 | L | 79.6 | Confident | 73.7 | Confident | 60 Ų | 60 | 84.7 Ų | 84.7 | 31% | 0.314 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 175.3 | -69.3 | 169.3 | 0 | 0 | 0 | 112.6 | L86 S87 L94 T266 | L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 2.68Å; L86-L90 VanDerWaalsContact O-N 3.09Å; S87-L90 PolarHBondContact O-N 3.29Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 2.96Å; L90-L94 VanDerWaalsContact O-N 3.11Å; L90-T266 HydrophobicContact CD2-CG2 4.29Å |
| 91 | E | 82.4 | Confident | 73.4 | Confident | 128 Ų | 128 | 85.7 Ų | 85.7 | 60% | 0.598 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.8 | -39.9 | 175.1 | -169.7 | 81.3 | -107.1 | 0 | 0 | 112 | S87 R88 Q89 S95 | S87-E91 WeakPolarHBondContact O-CB 3.49Å; S87-E91 PolarHBondContact O-N 3.47Å; R88-E91 PolarHBondContact O-N 3.11Å; Q89-E91 PolarHBondContact O-N 3.31Å; E91-S95 WeakPolarHBondContact O-CB 3.44Å; E91-S95 PolarHBondContact O-N 3.46Å; E91-S95 PolarHBondContact O-OG 2.87Å |
| 92 | D | 83.1 | Confident | 72.6 | Confident | 109 Ų | 109 | 87.4 Ų | 87.4 | 58% | 0.583 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.6 | -38.4 | -179.5 | -163.6 | 44 | 0 | 0 | 0 | 112.5 | R88 Q89 S95 T96 | R88-D92 WeakPolarHBondContact O-CB 3.42Å; R88-D92 PolarHBondContact O-N 2.98Å; Q89-D92 PolarHBondContact O-N 3.38Å; D92-S95 CarbonylContact O-C 3.6Å; D92-S95 WeakPolarHBondContact O-CB 3.36Å; D92-S95 PolarHBondContact O-N 3.11Å; D92-T96 WeakPolarHBondContact O-CB 3.42Å; D92-T96 PolarHBondContact O-N 3.4Å; D92-T96 PolarHBondContact O-OG1 3.3Å |
| 93 | I | 78.7 | Confident | 71.6 | Confident | 29 Ų | 29 | 90.3 Ų | 90.3 | 15% | 0.149 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61 | -50.7 | 172.8 | -65.7 | 171.8 | 0 | 0 | 0 | 110.2 | Q89 S95 T96 Y97 H262 T266 | Q89-I93 VanDerWaalsContact O-CG1 3.23Å; Q89-I93 WeakPolarHBondContact O-CG1 3.48Å; Q89-I93 PolarHBondContact O-N 3.49Å; Q89-I93 VanDerWaalsContact O-N 3.1Å; I93-S95 VanDerWaalsContact C-N 3.32Å; I93-S95 PolarHBondContact O-N 3.39Å; I93-T96 PolarHBondContact O-N 3.1Å; I93-Y97 HydrophobicContact CG2-CD2 4.31Å; I93-Y97 HydrophobicContact CG2-CE2 4.35Å; I93-Y97 WeakPolarHBondContact O-CD2 2.76Å; I93-Y97 PolarHBondContact O-N 3.13Å; I93-H262 WeakPolarHBondContact CG1-NE2 3.44Å; I93-T266 HydrophobicContact CD1-CG2 3.84Å; I93-T266 WeakPolarHBondContact CD1-OG1 3.46Å |
| 94 | L | 77.3 | Confident | 70.5 | Confident | 104 Ų | 104 | 93.8 Ų | 93.8 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 175.5 | -68.9 | 169.7 | 0 | 0 | 0 | 111.2 | L90 T96 C98 | L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 2.96Å; L90-L94 VanDerWaalsContact O-N 3.11Å; L94-T96 PolarHBondContact O-N 3.23Å; L94-C98 WeakPolarHBondContact O-CB 3.48Å; L94-C98 PolarHBondContact O-N 2.9Å; L94-C98 PolarHBondContact O-SG 3.31Å; L94-C98 VanDerWaalsContact O-SG 3.34Å |
| 95 | S | 80.3 | Confident | 69 | Low | 36 Ų | 36 | 96 Ų | 96 | 25% | 0.252 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -17.8 | 177.6 | -76.1 | 0 | 0 | 0 | 0 | 114.8 | E91 D92 I93 R99 | E91-S95 WeakPolarHBondContact O-CB 3.44Å; E91-S95 PolarHBondContact O-N 3.46Å; E91-S95 PolarHBondContact O-OG 2.87Å; D92-S95 CarbonylContact O-C 3.6Å; D92-S95 WeakPolarHBondContact O-CB 3.36Å; D92-S95 PolarHBondContact O-N 3.11Å; I93-S95 VanDerWaalsContact C-N 3.32Å; I93-S95 PolarHBondContact O-N 3.39Å; S95-R99 PolarHBondContact O-NE 3.17Å; S95-R99 PolarHBondContact O-NH2 3.26Å |
| 96 | T | 78.5 | Confident | 67.6 | Low | 66 Ų | 66 | 95 Ų | 95 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -84.2 | -61.5 | 175.1 | -62.5 | 0 | 0 | 0 | 0 | 110.2 | D92 I93 L94 R99 | D92-T96 WeakPolarHBondContact O-CB 3.42Å; D92-T96 PolarHBondContact O-N 3.4Å; D92-T96 PolarHBondContact O-OG1 3.3Å; I93-T96 PolarHBondContact O-N 3.1Å; L94-T96 PolarHBondContact O-N 3.23Å; T96-R99 WeakPolarHBondContact O-CB 3.48Å; T96-R99 PolarHBondContact O-N 3.08Å |
| 97 | Y | 66 | Low | 66.1 | Low | 59 Ų | 59 | 95.9 Ų | 95.9 | 23% | 0.231 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -77.5 | -27.2 | -171.5 | -62 | -77.9 | 0 | 0 | 0 | 114.6 | I93 R99 S101 V259 H262 | I93-Y97 HydrophobicContact CG2-CD2 4.31Å; I93-Y97 HydrophobicContact CG2-CE2 4.35Å; I93-Y97 WeakPolarHBondContact O-CD2 2.76Å; I93-Y97 PolarHBondContact O-N 3.13Å; Y97-R99 PolarHBondContact O-N 3.03Å; Y97-S101 PolarHBondContact O-N 3Å; Y97-S101 PolarHBondContact O-OG 3.1Å; Y97-V259 HydrophobicContact CD1-CG2 3.45Å; Y97-V259 VanDerWaalsContact CD1-CG2 3.45Å; Y97-V259 HydrophobicContact CD2-CG2 4.35Å; Y97-V259 HydrophobicContact CE1-CG2 3.53Å; Y97-V259 HydrophobicContact CE2-CG2 4.46Å; Y97-V259 HydrophobicContact CG-CG2 3.88Å; Y97-H262 AromaticContact CE2-CD2 3.81Å |
| 98 | C | 66.9 | Low | 64.7 | Low | 76 Ų | 76 | 96.3 Ų | 96.3 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.6 | -20.5 | 171.8 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | L94 | L94-C98 WeakPolarHBondContact O-CB 3.48Å; L94-C98 PolarHBondContact O-N 2.9Å; L94-C98 PolarHBondContact O-SG 3.31Å; L94-C98 VanDerWaalsContact O-SG 3.34Å |
| 99 | R | 60 | Low | 62.7 | Low | 162 Ų | 162 | 96.4 Ų | 96.4 | 61% | 0.611 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -81.5 | -42.7 | -177 | -153.2 | 177.6 | -52.3 | -113.1 | -3.1 | 112.2 | S95 T96 Y97 S101 L102 | S95-R99 PolarHBondContact O-NE 3.17Å; S95-R99 PolarHBondContact O-NH2 3.26Å; T96-R99 WeakPolarHBondContact O-CB 3.48Å; T96-R99 PolarHBondContact O-N 3.08Å; Y97-R99 PolarHBondContact O-N 3.03Å; R99-S101 VanDerWaalsContact C-N 3.31Å; R99-S101 PolarHBondContact O-N 3.39Å; R99-L102 PolarHBondContact O-N 2.62Å |
| 100 | E | 50.9 | Low | 61 | Low | 86 Ų | 86 | 100.6 Ų | 100.6 | 40% | 0.402 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.7 | -43.3 | 172.7 | -61.2 | -162.1 | 145 | 0 | 0 | 111.6 | L102 Q103 D104 K255 | E100-L102 PolarHBondContact O-N 3.13Å; E100-Q103 PolarHBondContact O-N 3.28Å; E100-D104 PolarHBondContact O-N 3.03Å; E100-K255 IonicContact OE1-NZ 2.91Å; E100-K255 IonicContact OE2-NZ 3.96Å; E100-K255 PolarHBondContact OE2-NZ 2.87Å |
| 101 | S | 50 | Low | 58.8 | Low | 92 Ų | 92 | 105.9 Ų | 105.9 | 64% | 0.643 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.2 | -18.7 | -176.1 | -59 | 0 | 0 | 0 | 0 | 114.7 | Y97 R99 | Y97-S101 PolarHBondContact O-N 3Å; Y97-S101 PolarHBondContact O-OG 3.1Å; R99-S101 VanDerWaalsContact C-N 3.31Å; R99-S101 PolarHBondContact O-N 3.39Å |
| 102 | L | 50.3 | Low | 56.4 | Low | 141 Ų | 141 | 103.1 Ų | 103.1 | 74% | 0.738 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -104.1 | -11.6 | 178 | -67.1 | 175.7 | 0 | 0 | 0 | 113.6 | R99 E100 | R99-L102 PolarHBondContact O-N 2.62Å; E100-L102 PolarHBondContact O-N 3.13Å |
| 103 | Q | 49.8 | Very low | 54 | Low | 144 Ų | 144 | 107.3 Ų | 107.3 | 67% | 0.673 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -94.6 | -31.9 | -173.1 | -167.6 | 159.4 | -21.2 | 0 | 0 | 112.9 | E100 | E100-Q103 PolarHBondContact O-N 3.28Å |
| 104 | D | 50.2 | Low | 51.8 | Low | 125 Ų | 125 | 111 Ų | 111 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -36.1 | 177.8 | -80 | -19.8 | 0 | 0 | 0 | 113 | E100 A106 G107 | E100-D104 PolarHBondContact O-N 3.03Å; D104-A106 VanDerWaalsContact C-N 3.35Å; D104-A106 PolarHBondContact O-N 3.44Å; D104-G107 PolarHBondContact O-N 3.39Å |
| 105 | D | 46.9 | Very low | 49.6 | Very low | 145 Ų | 145 | 114.5 Ų | 114.5 | 78% | 0.775 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -24.7 | -175.2 | -148.6 | 27.9 | 0 | 0 | 0 | 112.7 | ||
| 106 | A | 48 | Very low | 47.1 | Very low | 87 Ų | 87 | 116.8 Ų | 116.8 | 72% | 0.719 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -22.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D104 | D104-A106 VanDerWaalsContact C-N 3.35Å; D104-A106 PolarHBondContact O-N 3.44Å |
| 107 | G | 46.8 | Very low | 44.9 | Very low | 59 Ų | 59 | 121.4 Ų | 121.4 | 61% | 0.608 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -82 | -16.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D104 L109 | D104-G107 PolarHBondContact O-N 3.39Å; G107-L109 PolarHBondContact O-N 2.99Å |
| 108 | A | 47.3 | Very low | 43.2 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -3.9 | -161.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 109 | L | 43.9 | Very low | 41.3 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 2.7 | -166.8 | -85.1 | 177 | 0 | 0 | 0 | 117.2 | G107 | G107-L109 PolarHBondContact O-N 2.99Š|
| 110 | L | 43.5 | Very low | 39.8 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -137.4 | 145.4 | 177.3 | -70.7 | 175 | 0 | 0 | 0 | 112.8 | ||||
| 111 | N | 34.8 | Very low | 38.8 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 91% | 0.914 | 76% | 0.756 | S | S | * | * | trans | 75.6 | 128.9 | 178.7 | -152.1 | 30.9 | 0 | 0 | 0 | 115 | ||||
| 112 | G | 30.8 | Very low | 37.9 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | -168 | 174.6 | 1.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 113 | Q | 33.2 | Very low | 36.8 | Very low | 197 Ų | 197 | 131.1 Ų | 131.1 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -132 | 115.2 | -176.8 | 172.2 | -168.4 | 0.7 | 0 | 0 | 109.2 | ||||
| 114 | S | 31.9 | Very low | 35.7 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -173.5 | 157.6 | 155.9 | -156.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 115 | H | 30.8 | Very low | 34.7 | Very low | 177 Ų | 177 | 125.6 Ų | 125.6 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | trans | -13.7 | 172.6 | 163.1 | -70.2 | -66.7 | 0 | 0 | 0 | 123 | ||||
| 116 | S | 28.8 | Very low | 34 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | cis | 158.8 | 135.3 | -25.5 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 117 | L | 31.4 | Very low | 33.1 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | 66.5 | 158.8 | 173.2 | -59.8 | 158.8 | 0 | 0 | 0 | 115.2 | ||||
| 118 | V | 30.1 | Very low | 32.3 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | cis | -135.2 | 164.2 | 9.8 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 119 | L | 27.9 | Very low | 31.5 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -43.9 | 154.7 | 164.2 | -67.2 | 142.4 | 0 | 0 | 0 | 114.4 | ||||
| 120 | N | 28.6 | Very low | 30.8 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | -179.2 | 162.7 | 69.1 | -171.9 | 19.1 | 0 | 0 | 0 | 112 | |||||
| 121 | G | 29.4 | Very low | 30.2 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 153.1 | 117.4 | 170 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 122 | L | 30.8 | Very low | 29.9 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | -121.5 | 132.5 | -173.2 | -71 | 168.3 | 0 | 0 | 0 | 113.3 | ||||
| 123 | T | 29 | Very low | 30 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | 177.8 | 134.6 | 145.9 | 31.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 124 | G | 26.7 | Very low | 29.7 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | cis | 116.9 | 126.6 | 26.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 125 | G | 27.3 | Very low | 29.7 | Very low | 71 Ų | 71 | 141.9 Ų | 141.9 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | cis | -171.8 | -153.9 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 126 | K | 32.6 | Very low | 29.6 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | 71.2 | 118.4 | -169.8 | -56.2 | -175.1 | 176.6 | -174.4 | 0 | 113.4 | ||||
| 127 | E | 29 | Very low | 29.7 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | cis | 76.2 | 110.8 | 30.3 | -49.2 | -175.2 | 129.7 | 0 | 0 | 115.3 | ||||
| 128 | D | 31.1 | Very low | 29.8 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -178.4 | 75 | 149.4 | -97.2 | -22.1 | 0 | 0 | 0 | 105 | ||||
| 129 | D | 29.3 | Very low | 30 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | 49.6 | 113 | 103.4 | -172.9 | 37.1 | 0 | 0 | 0 | 116.2 | S131 | D129-S131 PolarHBondContact OD1-N 3.16Å; D129-S131 VanDerWaalsContact OD1-N 3.13Å | |||
| 130 | K | 30.8 | Very low | 30.5 | Very low | 208 Ų | 208 | 142 Ų | 142 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | trans | -158.3 | 84.5 | 132.8 | -121.9 | 166.4 | -173 | 163.6 | 0 | 111.8 | ||||
| 131 | S | 30 | Very low | 31 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -93.5 | 113.1 | 167.2 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | D129 | D129-S131 PolarHBondContact OD1-N 3.16Å; D129-S131 VanDerWaalsContact OD1-N 3.13Å | ||
| 132 | E | 29 | Very low | 31.4 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | trans | -159.2 | 134.8 | 147.5 | -118.1 | 179.5 | -145.2 | 0 | 0 | 110.6 | ||||
| 133 | G | 31.8 | Very low | 32.1 | Very low | 67 Ų | 67 | 150 Ų | 150 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | cis | 129.5 | 26.7 | 2.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 134 | K | 27.7 | Very low | 32.8 | Very low | 193 Ų | 193 | 152 Ų | 152 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -105.1 | 69 | -171.5 | -157.2 | 159.6 | -170.7 | 164.8 | 0 | 114.6 | ||||
| 135 | V | 32.7 | Very low | 33.8 | Very low | 138 Ų | 138 | 152.4 Ų | 152.4 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -73.3 | 130.1 | 155.4 | 174.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 136 | N | 27.3 | Very low | 34.8 | Very low | 144 Ų | 144 | 155.2 Ų | 155.2 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -145.1 | 108.7 | 165.4 | -104.4 | -18.2 | 0 | 0 | 0 | 109.9 | ||||
| 137 | G | 31.8 | Very low | 35.8 | Very low | 76 Ų | 76 | 152.6 Ų | 152.6 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -89.3 | 143.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 138 | A | 32.4 | Very low | 36.8 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -134.9 | 34.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | K140 | A138-K140 PolarHBondContact O-N 3.37Å; A138-K140 VanDerWaalsContact O-N 3.09Å | ||
| 139 | E | 34.5 | Very low | 37.9 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -77.4 | 85.9 | 168.8 | -75.9 | -157.7 | 134.9 | 0 | 0 | 111.6 | ||||
| 140 | K | 38.8 | Very low | 39.3 | Very low | 196 Ų | 196 | 153 Ų | 153 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | 170.3 | 112.9 | 151.4 | -97.2 | 155 | -175.4 | 175 | 0 | 110.2 | A138 | A138-K140 PolarHBondContact O-N 3.37Å; A138-K140 VanDerWaalsContact O-N 3.09Å | ||
| 141 | E | 38.5 | Very low | 40.6 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 167.3 | 62.9 | 141.1 | -88.1 | -109.5 | 102.7 | 0 | 0 | 111.7 | ||
| 142 | Q | 38.3 | Very low | 42 | Very low | 170 Ų | 170 | 151.3 Ų | 151.3 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -153 | 10.5 | 162.5 | -120.8 | 164.3 | 70.1 | 0 | 0 | 115.9 | K144 | Q142-K144 PolarHBondContact O-N 2.99Š| ||
| 143 | K | 45.6 | Very low | 43.6 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -74.5 | -22.6 | -177.8 | -162 | 169.5 | -179 | 178.2 | 0 | 113.9 | T145 | K143-T145 VanDerWaalsContact C-N 3.34Å; K143-T145 PolarHBondContact O-N 3.26Å |
| 144 | K | 44.4 | Very low | 45.1 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -75.3 | -12.3 | -176.5 | -110 | 177.1 | 179.1 | 174.8 | 0 | 115.3 | Q142 | Q142-K144 PolarHBondContact O-N 2.99Š|
| 145 | T | 46 | Very low | 46.8 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 56% | 0.564 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -95 | -20.8 | -172.3 | -41.1 | 0 | 0 | 0 | 0 | 113.5 | K143 | K143-T145 VanDerWaalsContact C-N 3.34Å; K143-T145 PolarHBondContact O-N 3.26Å |
| 146 | Q | 49.4 | Very low | 48.7 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 60% | 0.603 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -76.4 | -35.4 | -176 | -77.5 | -164.7 | -4.4 | 0 | 0 | 114.3 | K148 K149 K150 | Q146-K148 PolarHBondContact O-N 3.16Å; Q146-K149 CarbonylContact O-C 3.59Å; Q146-K149 WeakPolarHBondContact O-CA 3.45Å; Q146-K149 WeakPolarHBondContact O-CB 3.46Å; Q146-K149 PolarHBondContact O-N 2.98Å; Q146-K150 PolarHBondContact O-N 2.95Å |
| 147 | E | 53.1 | Low | 50.9 | Low | 143 Ų | 143 | 136 Ų | 136 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -64.4 | -41.8 | -174.4 | -67.3 | -178.2 | 134.5 | 0 | 0 | 112.4 | K149 K150 V151 | E147-K149 PolarHBondContact O-N 3.13Å; E147-K150 PolarHBondContact O-N 3.36Å; E147-V151 PolarHBondContact O-N 3.04Å |
| 148 | K | 50.9 | Low | 52.7 | Low | 182 Ų | 182 | 137.1 Ų | 137.1 | 79% | 0.791 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -61.1 | -26.1 | 172.1 | -75.8 | -171.4 | 175.5 | -177.9 | 0 | 113.2 | Q146 | Q146-K148 PolarHBondContact O-N 3.16Å |
| 149 | K | 54.5 | Low | 54.7 | Low | 165 Ų | 165 | 136.6 Ų | 136.6 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -78.7 | -39.9 | 170.5 | -80.3 | -171.7 | 174.4 | -177.8 | 0 | 112.2 | Q146 E147 K152 G153 | Q146-K149 CarbonylContact O-C 3.59Å; Q146-K149 WeakPolarHBondContact O-CA 3.45Å; Q146-K149 WeakPolarHBondContact O-CB 3.46Å; Q146-K149 PolarHBondContact O-N 2.98Å; E147-K149 PolarHBondContact O-N 3.13Å; K149-K152 CarbonylContact O-C 3.59Å; K149-K152 PolarHBondContact O-N 2.58Å; K149-G153 PolarHBondContact O-N 2.94Å |
| 150 | K | 58.4 | Low | 56.8 | Low | 138 Ų | 138 | 132.4 Ų | 132.4 | 60% | 0.6 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61.4 | -46.7 | 178.5 | -71.9 | -166 | 174.8 | -166.8 | 0 | 112.4 | Q146 E147 K152 G153 L154 | Q146-K150 PolarHBondContact O-N 2.95Å; E147-K150 PolarHBondContact O-N 3.36Å; K150-K152 VanDerWaalsContact C-N 3.31Å; K150-K152 PolarHBondContact O-N 3.43Å; K150-G153 PolarHBondContact O-N 3.03Å; K150-G153 VanDerWaalsContact O-N 3.15Å; K150-L154 WeakPolarHBondContact O-CG 3.07Å; K150-L154 PolarHBondContact O-N 2.82Å |
| 151 | V | 57.6 | Low | 58.5 | Low | 107 Ų | 107 | 125.1 Ų | 125.1 | 65% | 0.648 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59.9 | -41.1 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | E147 G153 G155 | E147-V151 PolarHBondContact O-N 3.04Å; V151-G153 VanDerWaalsContact C-N 3.34Å; V151-G155 PolarHBondContact O-N 3.15Å; V151-G155 VanDerWaalsContact O-N 3.12Å |
| 152 | K | 59.2 | Low | 60.3 | Low | 170 Ų | 170 | 121.4 Ų | 121.4 | 74% | 0.739 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -77.7 | -17.3 | 179.4 | -147.8 | 169.1 | -171.4 | 175.9 | 0 | 113.7 | K149 K150 | K149-K152 CarbonylContact O-C 3.59Å; K149-K152 PolarHBondContact O-N 2.58Å; K150-K152 VanDerWaalsContact C-N 3.31Å; K150-K152 PolarHBondContact O-N 3.43Å |
| 153 | G | 62.5 | Low | 62 | Low | 31 Ų | 31 | 119.4 Ų | 119.4 | 32% | 0.32 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -76.9 | -52.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K149 K150 V151 G155 K156 E157 | K149-G153 PolarHBondContact O-N 2.94Å; K150-G153 PolarHBondContact O-N 3.03Å; K150-G153 VanDerWaalsContact O-N 3.15Å; V151-G153 VanDerWaalsContact C-N 3.34Å; G153-G155 VanDerWaalsContact C-N 3.25Å; G153-G155 PolarHBondContact O-N 3.43Å; G153-K156 WeakPolarHBondContact O-CA 3.41Å; G153-K156 WeakPolarHBondContact O-CB 3.29Å; G153-K156 PolarHBondContact O-N 3.35Å; G153-E157 PolarHBondContact O-N 3.15Å |
| 154 | L | 63.9 | Low | 63.4 | Low | 99 Ų | 99 | 113.8 Ų | 113.8 | 52% | 0.518 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -51.9 | -43.4 | 174.6 | -74.5 | 166.3 | 0 | 0 | 0 | 111.8 | K150 K156 E157 I158 | K150-L154 WeakPolarHBondContact O-CG 3.07Å; K150-L154 PolarHBondContact O-N 2.82Å; L154-K156 VanDerWaalsContact C-N 3.29Å; L154-K156 PolarHBondContact O-N 3.36Å; L154-E157 PolarHBondContact O-N 3.48Å; L154-I158 WeakPolarHBondContact O-CB 3.4Å; L154-I158 WeakPolarHBondContact O-CD1 3.47Å; L154-I158 VanDerWaalsContact O-CG1 3.24Å; L154-I158 WeakPolarHBondContact O-CG1 3.28Å; L154-I158 PolarHBondContact O-N 2.97Å |
| 155 | G | 64.1 | Low | 64.8 | Low | 37 Ų | 37 | 105.9 Ų | 105.9 | 38% | 0.381 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.3 | -36.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V151 G153 T159 | V151-G155 PolarHBondContact O-N 3.15Å; V151-G155 VanDerWaalsContact O-N 3.12Å; G153-G155 VanDerWaalsContact C-N 3.25Å; G153-G155 PolarHBondContact O-N 3.43Å; G155-T159 PolarHBondContact O-N 2.98Å; G155-T159 PolarHBondContact O-OG1 3.41Å; G155-T159 VanDerWaalsContact O-OG1 3.11Å |
| 156 | K | 71.8 | Confident | 66.2 | Low | 159 Ų | 159 | 107 Ų | 107 | 69% | 0.691 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.9 | -39.7 | 174.7 | -71.3 | -172.6 | 173.2 | -165.5 | 0 | 112.3 | G153 L154 I158 T159 L160 | G153-K156 WeakPolarHBondContact O-CA 3.41Å; G153-K156 WeakPolarHBondContact O-CB 3.29Å; G153-K156 PolarHBondContact O-N 3.35Å; L154-K156 VanDerWaalsContact C-N 3.29Å; L154-K156 PolarHBondContact O-N 3.36Å; K156-I158 VanDerWaalsContact C-N 3.34Å; K156-T159 PolarHBondContact O-N 2.99Å; K156-L160 WeakPolarHBondContact O-CB 3.49Å; K156-L160 PolarHBondContact O-N 3.22Å |
| 157 | E | 73.4 | Confident | 67.2 | Low | 92 Ų | 92 | 106 Ų | 106 | 43% | 0.43 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -35.7 | 177 | -69.9 | -165.6 | 90.1 | 0 | 0 | 112.5 | G153 L154 L160 L161 K181 | G153-E157 PolarHBondContact O-N 3.15Å; L154-E157 PolarHBondContact O-N 3.48Å; E157-L160 PolarHBondContact O-N 3.44Å; E157-L161 WeakPolarHBondContact O-CB 3.43Å; E157-L161 PolarHBondContact O-N 3.22Å; E157-K181 IonicContact OE1-NZ 3.12Å; E157-K181 PolarHBondContact OE1-NZ 2.92Å; E157-K181 VanDerWaalsContact OE1-NZ 3.12Å |
| 158 | I | 69.3 | Low | 68.2 | Low | 100 Ų | 100 | 101.3 Ų | 101.3 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 172.9 | -71.1 | 163.6 | 0 | 0 | 0 | 110.2 | L154 K156 L161 M162 | L154-I158 WeakPolarHBondContact O-CB 3.4Å; L154-I158 WeakPolarHBondContact O-CD1 3.47Å; L154-I158 VanDerWaalsContact O-CG1 3.24Å; L154-I158 WeakPolarHBondContact O-CG1 3.28Å; L154-I158 PolarHBondContact O-N 2.97Å; K156-I158 VanDerWaalsContact C-N 3.34Å; I158-L161 PolarHBondContact O-N 2.85Å; I158-M162 WeakPolarHBondContact O-CB 3.39Å; I158-M162 PolarHBondContact O-N 3.41Å |
| 159 | T | 74.7 | Confident | 68.7 | Low | 92 Ų | 92 | 98.1 Ų | 98.1 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 175.8 | -56 | 0 | 0 | 0 | 0 | 111.9 | G155 K156 M162 Q163 | G155-T159 PolarHBondContact O-N 2.98Å; G155-T159 PolarHBondContact O-OG1 3.41Å; G155-T159 VanDerWaalsContact O-OG1 3.11Å; K156-T159 PolarHBondContact O-N 2.99Å; T159-M162 PolarHBondContact O-N 3.22Å; T159-Q163 WeakPolarHBondContact O-CB 3.43Å; T159-Q163 PolarHBondContact O-N 3.09Å |
| 160 | L | 77.6 | Confident | 69.6 | Low | 104 Ų | 104 | 93 Ų | 93 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 178.1 | -178.1 | 62.7 | 0 | 0 | 0 | 111.5 | K156 E157 Q163 T164 | K156-L160 WeakPolarHBondContact O-CB 3.49Å; K156-L160 PolarHBondContact O-N 3.22Å; E157-L160 PolarHBondContact O-N 3.44Å; L160-Q163 WeakPolarHBondContact O-CB 3.48Å; L160-Q163 PolarHBondContact O-N 3.44Å; L160-T164 PolarHBondContact O-N 2.81Å; L160-T164 PolarHBondContact O-OG1 2.88Å; L160-T164 VanDerWaalsContact O-OG1 3.08Å |
| 161 | L | 75.9 | Confident | 70.4 | Confident | 44 Ų | 44 | 90.8 Ų | 90.8 | 23% | 0.23 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 175.7 | -180 | 62.6 | 0 | 0 | 0 | 111.2 | E157 I158 Q163 T164 L165 L178 K181 | E157-L161 WeakPolarHBondContact O-CB 3.43Å; E157-L161 PolarHBondContact O-N 3.22Å; I158-L161 PolarHBondContact O-N 2.85Å; L161-Q163 VanDerWaalsContact C-N 3.27Å; L161-Q163 PolarHBondContact O-N 2.96Å; L161-T164 PolarHBondContact O-N 3.09Å; L161-L165 HydrophobicContact CD1-CD1 4.23Å; L161-L165 HydrophobicContact CD1-CG 4.31Å; L161-L165 HydrophobicContact CG-CD1 3.97Å; L161-L165 HydrophobicContact CG-CG 4.46Å; L161-L165 WeakPolarHBondContact O-CB 3.18Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.91Å; L161-L178 HydrophobicContact CD2-CD1 4.03Å; L161-K181 HydrophobicContact CD1-CB 4.3Å; L161-K181 HydrophobicContact CD1-CG 4.05Å; L161-K181 HydrophobicContact CD2-CG 4.4Å |
| 162 | M | 74.7 | Confident | 71.2 | Confident | 108 Ų | 108 | 92 Ų | 92 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -38.1 | 176 | -161.7 | 73.3 | 72 | 0 | 0 | 111.8 | I158 T159 L165 N166 | I158-M162 WeakPolarHBondContact O-CB 3.39Å; I158-M162 PolarHBondContact O-N 3.41Å; T159-M162 PolarHBondContact O-N 3.22Å; M162-L165 PolarHBondContact O-N 3.36Å; M162-N166 WeakPolarHBondContact O-CB 3.49Å; M162-N166 PolarHBondContact O-N 2.98Å |
| 163 | Q | 75.6 | Confident | 72 | Confident | 129 Ų | 129 | 88 Ų | 88 | 60% | 0.603 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.8 | -43.9 | 177.2 | -164.5 | 170.9 | 14.3 | 0 | 0 | 111.6 | T159 L160 L161 L165 N166 T167 | T159-Q163 WeakPolarHBondContact O-CB 3.43Å; T159-Q163 PolarHBondContact O-N 3.09Å; L160-Q163 WeakPolarHBondContact O-CB 3.48Å; L160-Q163 PolarHBondContact O-N 3.44Å; L161-Q163 VanDerWaalsContact C-N 3.27Å; L161-Q163 PolarHBondContact O-N 2.96Å; Q163-L165 VanDerWaalsContact C-N 3.34Å; Q163-L165 PolarHBondContact O-N 2.92Å; Q163-N166 PolarHBondContact O-N 2.93Å; Q163-N166 VanDerWaalsContact O-N 3.15Å; Q163-T167 PolarHBondContact O-N 3.48Å; Q163-T167 PolarHBondContact O-OG1 3.4Å |
| 164 | T | 74.8 | Confident | 72.7 | Confident | 75 Ų | 75 | 89.7 Ų | 89.7 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 172.9 | -52 | 0 | 0 | 0 | 0 | 112 | L160 L161 N166 T167 L168 | L160-T164 PolarHBondContact O-N 2.81Å; L160-T164 PolarHBondContact O-OG1 2.88Å; L160-T164 VanDerWaalsContact O-OG1 3.08Å; L161-T164 PolarHBondContact O-N 3.09Å; T164-N166 VanDerWaalsContact C-N 3.27Å; T164-N166 PolarHBondContact O-N 2.97Å; T164-T167 WeakPolarHBondContact CA-OG1 3.29Å; T164-T167 PolarHBondContact O-N 3.18Å; T164-T167 PolarHBondContact O-OG1 2.96Å; T164-L168 WeakPolarHBondContact O-CG 3.38Å |
| 165 | L | 73.2 | Confident | 73.5 | Confident | 28 Ų | 28 | 90.2 Ų | 90.2 | 15% | 0.147 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -68.6 | -24.6 | 175.4 | -68 | 171 | 0 | 0 | 0 | 112.6 | L161 M162 Q163 K174 L178 | L161-L165 HydrophobicContact CD1-CD1 4.23Å; L161-L165 HydrophobicContact CD1-CG 4.31Å; L161-L165 HydrophobicContact CG-CD1 3.97Å; L161-L165 HydrophobicContact CG-CG 4.46Å; L161-L165 WeakPolarHBondContact O-CB 3.18Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.91Å; M162-L165 PolarHBondContact O-N 3.36Å; Q163-L165 VanDerWaalsContact C-N 3.34Å; Q163-L165 PolarHBondContact O-N 2.92Å; L165-K174 HydrophobicContact CD2-CB 3.93Å; L165-K174 HydrophobicContact CD2-CG 4.34Å; L165-K174 WeakPolarHBondContact CD2-O 3.35Å; L165-K174 WeakPolarHBondContact O-CD 3.32Å; L165-K174 VanDerWaalsContact O-CE 3.23Å; L165-K174 WeakPolarHBondContact O-CE 3.37Å; L165-K174 WeakPolarHBondContact O-CG 3.41Å; L165-K174 PolarHBondContact O-NZ 3.02Å; L165-L178 HydrophobicContact CD1-CD1 4.34Å |
| 166 | N | 75.6 | Confident | 74.2 | Confident | 116 Ų | 116 | 91.4 Ų | 91.4 | 62% | 0.62 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -81.9 | -21.4 | 174.9 | -80.6 | -16.6 | 0 | 0 | 0 | 113.8 | M162 Q163 T164 L168 | M162-N166 WeakPolarHBondContact O-CB 3.49Å; M162-N166 PolarHBondContact O-N 2.98Å; Q163-N166 PolarHBondContact O-N 2.93Å; Q163-N166 VanDerWaalsContact O-N 3.15Å; T164-N166 VanDerWaalsContact C-N 3.27Å; T164-N166 PolarHBondContact O-N 2.97Å; N166-L168 VanDerWaalsContact C-N 3.26Å; N166-L168 PolarHBondContact O-N 3.02Å |
| 167 | T | 69.7 | Low | 74.5 | Confident | 107 Ų | 107 | 85.1 Ų | 85.1 | 66% | 0.656 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.1 | 171.4 | 44.1 | 0 | 0 | 0 | 0 | 114.5 | Q163 T164 | Q163-T167 PolarHBondContact O-N 3.48Å; Q163-T167 PolarHBondContact O-OG1 3.4Å; T164-T167 WeakPolarHBondContact CA-OG1 3.29Å; T164-T167 PolarHBondContact O-N 3.18Å; T164-T167 PolarHBondContact O-OG1 2.96Å |
| 168 | L | 75.5 | Confident | 75 | Confident | 44 Ų | 44 | 84.8 Ų | 84.8 | 23% | 0.23 | 48% | 0.475 | C | S | . | . | trans | -99.2 | 129.1 | 176.5 | -61.1 | 172.5 | 0 | 0 | 0 | 108.8 | T164 N166 E173 K174 | T164-L168 WeakPolarHBondContact O-CG 3.38Å; N166-L168 VanDerWaalsContact C-N 3.26Å; N166-L168 PolarHBondContact O-N 3.02Å; L168-E173 HydrophobicContact CB-CB 3.82Å; L168-E173 HydrophobicContact CD1-CB 4.19Å; L168-E173 WeakPolarHBondContact CD1-O 3.4Å; L168-E173 HydrophobicContact CD2-CB 4.15Å; L168-E173 HydrophobicContact CG-CB 4.24Å; L168-K174 HydrophobicContact CB-CG 3.91Å; L168-K174 WeakPolarHBondContact O-CE 3.46Å; L168-K174 PolarHBondContact O-NZ 3.08Å; L168-K174 VanDerWaalsContact O-NZ 3.17Å | ||
| 169 | S | 61.6 | Low | 75.6 | Confident | 116 Ų | 116 | 83.6 Ų | 83.6 | 81% | 0.811 | 48% | 0.475 | S | S | * | . | trans | -87.2 | -28.9 | -167.7 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | E173 | S169-E173 PolarHBondContact N-OE2 3.31Š| ||
| 170 | T | 71.9 | Confident | 76.1 | Confident | 57 Ų | 57 | 85.7 Ų | 85.7 | 35% | 0.35 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -102.5 | 151.4 | 179.6 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | E172 E173 K174 | T170-E172 VanDerWaalsContact C-N 3.27Å; T170-E172 PolarHBondContact O-N 3.42Å; T170-E173 WeakPolarHBondContact CB-OE2 3.5Å; T170-E173 PolarHBondContact N-OE2 2.9Å; T170-E173 PolarHBondContact O-N 3.41Å; T170-E173 WeakPolarHBondContact OG1-CB 3.36Å; T170-E173 WeakPolarHBondContact OG1-CG 3.24Å; T170-E173 PolarHBondContact OG1-N 2.95Å; T170-E173 PolarHBondContact OG1-OE2 3.39Å; T170-K174 WeakPolarHBondContact O-CG 3.48Å; T170-K174 PolarHBondContact O-N 3.16Å |
| 171 | P | 76.2 | Confident | 76.5 | Confident | 91 Ų | 91 | 84.9 Ų | 84.9 | 59% | 0.591 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.2 | -30 | 173.9 | 25.3 | -30 | 0 | 0 | 0 | 112.4 | K174 L175 | P171-K174 PolarHBondContact O-N 2.78Å; P171-L175 PolarHBondContact O-N 2.89Å |
| 172 | E | 75 | Confident | 76.9 | Confident | 133 Ų | 133 | 90.4 Ų | 90.4 | 62% | 0.621 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61 | -47 | 174.9 | -70.9 | 66.8 | -148.8 | 0 | 0 | 111.8 | T170 K174 L175 A176 | T170-E172 VanDerWaalsContact C-N 3.27Å; T170-E172 PolarHBondContact O-N 3.42Å; E172-K174 VanDerWaalsContact C-N 3.34Å; E172-K174 PolarHBondContact O-N 2.85Å; E172-L175 PolarHBondContact O-N 2.82Å; E172-A176 WeakPolarHBondContact O-CB 3.47Å; E172-A176 PolarHBondContact O-N 2.9Å |
| 173 | E | 76.1 | Confident | 77.4 | Confident | 85 Ų | 85 | 87.6 Ų | 87.6 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 175.8 | -73.9 | 164.2 | 133.1 | 0 | 0 | 111.7 | L168 S169 T170 L175 A176 G177 | L168-E173 HydrophobicContact CB-CB 3.82Å; L168-E173 HydrophobicContact CD1-CB 4.19Å; L168-E173 WeakPolarHBondContact CD1-O 3.4Å; L168-E173 HydrophobicContact CD2-CB 4.15Å; L168-E173 HydrophobicContact CG-CB 4.24Å; S169-E173 PolarHBondContact N-OE2 3.31Å; T170-E173 WeakPolarHBondContact CB-OE2 3.5Å; T170-E173 PolarHBondContact N-OE2 2.9Å; T170-E173 PolarHBondContact O-N 3.41Å; T170-E173 WeakPolarHBondContact OG1-CB 3.36Å; T170-E173 WeakPolarHBondContact OG1-CG 3.24Å; T170-E173 PolarHBondContact OG1-N 2.95Å; T170-E173 PolarHBondContact OG1-OE2 3.39Å; E173-L175 VanDerWaalsContact C-N 3.35Å; E173-L175 PolarHBondContact O-N 2.91Å; E173-A176 PolarHBondContact O-N 3.48Å; E173-G177 PolarHBondContact O-N 2.77Å |
| 174 | K | 76.4 | Confident | 77.9 | Confident | 68 Ų | 68 | 85.4 Ų | 85.4 | 30% | 0.296 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.3 | -67.1 | -179.6 | -157.8 | -117.8 | 0 | 111.4 | L165 L168 T170 P171 E172 G177 L178 | L165-K174 HydrophobicContact CD2-CB 3.93Å; L165-K174 HydrophobicContact CD2-CG 4.34Å; L165-K174 WeakPolarHBondContact CD2-O 3.35Å; L165-K174 WeakPolarHBondContact O-CD 3.32Å; L165-K174 VanDerWaalsContact O-CE 3.23Å; L165-K174 WeakPolarHBondContact O-CE 3.37Å; L165-K174 WeakPolarHBondContact O-CG 3.41Å; L165-K174 PolarHBondContact O-NZ 3.02Å; L168-K174 HydrophobicContact CB-CG 3.91Å; L168-K174 WeakPolarHBondContact O-CE 3.46Å; L168-K174 PolarHBondContact O-NZ 3.08Å; L168-K174 VanDerWaalsContact O-NZ 3.17Å; T170-K174 WeakPolarHBondContact O-CG 3.48Å; T170-K174 PolarHBondContact O-N 3.16Å; P171-K174 PolarHBondContact O-N 2.78Å; E172-K174 VanDerWaalsContact C-N 3.34Å; E172-K174 PolarHBondContact O-N 2.85Å; K174-G177 PolarHBondContact O-N 3.13Å; K174-L178 PolarHBondContact O-N 3.12Å |
| 175 | L | 80.2 | Confident | 78.5 | Confident | 109 Ų | 109 | 86.7 Ų | 86.7 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 176.3 | -176.4 | 60.5 | 0 | 0 | 0 | 111.3 | P171 E172 E173 G177 L178 C179 | P171-L175 PolarHBondContact O-N 2.89Å; E172-L175 PolarHBondContact O-N 2.82Å; E173-L175 VanDerWaalsContact C-N 3.35Å; E173-L175 PolarHBondContact O-N 2.91Å; L175-G177 PolarHBondContact O-N 3.48Å; L175-L178 PolarHBondContact O-N 3.42Å; L175-C179 WeakPolarHBondContact O-CB 3.36Å; L175-C179 PolarHBondContact O-N 3.34Å; L175-C179 PolarHBondContact O-SG 3.37Å |
| 176 | A | 79.4 | Confident | 79.1 | Confident | 62 Ų | 62 | 87.9 Ų | 87.9 | 51% | 0.512 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E172 E173 C179 K180 | E172-A176 WeakPolarHBondContact O-CB 3.47Å; E172-A176 PolarHBondContact O-N 2.9Å; E173-A176 PolarHBondContact O-N 3.48Å; A176-C179 PolarHBondContact O-N 3.39Å; A176-K180 WeakPolarHBondContact O-CB 3.37Å; A176-K180 PolarHBondContact O-N 2.73Å |
| 177 | G | 78.3 | Confident | 79.7 | Confident | 28 Ų | 28 | 88.5 Ų | 88.5 | 29% | 0.289 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E173 K174 L175 K180 K181 | E173-G177 PolarHBondContact O-N 2.77Å; K174-G177 PolarHBondContact O-N 3.13Å; L175-G177 PolarHBondContact O-N 3.48Å; G177-K180 PolarHBondContact O-N 2.82Å; G177-K181 WeakPolarHBondContact O-CB 3.4Å; G177-K181 PolarHBondContact O-N 3.45Å |
| 178 | L | 83 | Confident | 80.5 | Confident | 84 Ų | 84 | 89.1 Ų | 89.1 | 44% | 0.44 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68 | -44.7 | 176.3 | -164.4 | 75.5 | 0 | 0 | 0 | 111.9 | L161 L165 K174 L175 K180 K181 Y182 | L161-L178 HydrophobicContact CD2-CD1 4.03Å; L165-L178 HydrophobicContact CD1-CD1 4.34Å; K174-L178 PolarHBondContact O-N 3.12Å; L175-L178 PolarHBondContact O-N 3.42Å; L178-K180 VanDerWaalsContact C-N 3.32Å; L178-K180 PolarHBondContact O-N 2.81Å; L178-K181 PolarHBondContact O-N 3.15Å; L178-Y182 PolarHBondContact O-N 3.07Å |
| 179 | C | 82.4 | Confident | 81.1 | Confident | 75 Ų | 75 | 92.7 Ų | 92.7 | 51% | 0.507 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 175 | -73.3 | 0 | 0 | 0 | 0 | 111.7 | L175 A176 Y182 A183 | L175-C179 WeakPolarHBondContact O-CB 3.36Å; L175-C179 PolarHBondContact O-N 3.34Å; L175-C179 PolarHBondContact O-SG 3.37Å; A176-C179 PolarHBondContact O-N 3.39Å; C179-Y182 PolarHBondContact O-N 3.34Å; C179-A183 WeakPolarHBondContact O-CB 3.3Å; C179-A183 PolarHBondContact O-N 2.97Å |
| 180 | K | 85.3 | Confident | 82.4 | Confident | 137 Ų | 137 | 94.8 Ų | 94.8 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.5 | -51.8 | 173.3 | -174.4 | 179.5 | 176.2 | -179.8 | 0 | 111.6 | A176 G177 L178 Y182 A183 D184 | A176-K180 WeakPolarHBondContact O-CB 3.37Å; A176-K180 PolarHBondContact O-N 2.73Å; G177-K180 PolarHBondContact O-N 2.82Å; L178-K180 VanDerWaalsContact C-N 3.32Å; L178-K180 PolarHBondContact O-N 2.81Å; K180-Y182 PolarHBondContact O-N 2.85Å; K180-A183 WeakPolarHBondContact O-CB 3.25Å; K180-A183 PolarHBondContact O-N 2.83Å; K180-D184 WeakPolarHBondContact O-CB 3.45Å; K180-D184 PolarHBondContact O-N 2.89Å |
| 181 | K | 84.9 | Confident | 83.2 | Confident | 86 Ų | 86 | 95 Ų | 95 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.5 | -35 | 178.3 | -175.3 | 73.5 | 177.3 | 173.5 | 0 | 112.1 | E157 L161 G177 L178 L185 | E157-K181 IonicContact OE1-NZ 3.12Å; E157-K181 PolarHBondContact OE1-NZ 2.92Å; E157-K181 VanDerWaalsContact OE1-NZ 3.12Å; L161-K181 HydrophobicContact CD1-CB 4.3Å; L161-K181 HydrophobicContact CD1-CG 4.05Å; L161-K181 HydrophobicContact CD2-CG 4.4Å; G177-K181 WeakPolarHBondContact O-CB 3.4Å; G177-K181 PolarHBondContact O-N 3.45Å; L178-K181 PolarHBondContact O-N 3.15Å; K181-L185 WeakPolarHBondContact O-CB 3.49Å; K181-L185 PolarHBondContact O-N 2.84Å |
| 182 | Y | 84.8 | Confident | 83.8 | Confident | 161 Ų | 161 | 94 Ų | 94 | 63% | 0.631 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -73.7 | -40.4 | 174.5 | -172.7 | -101.3 | 0 | 0 | 0 | 113 | L178 C179 K180 L185 V186 | L178-Y182 PolarHBondContact O-N 3.07Å; C179-Y182 PolarHBondContact O-N 3.34Å; K180-Y182 PolarHBondContact O-N 2.85Å; Y182-L185 PolarHBondContact O-N 3.03Å; Y182-V186 HydrophobicContact CD1-CG2 4.21Å; Y182-V186 HydrophobicContact CE1-CG2 3.85Å; Y182-V186 WeakPolarHBondContact O-CG2 3.35Å; Y182-V186 PolarHBondContact O-N 3.33Å |
| 183 | A | 85.1 | Confident | 84.5 | Confident | 49 Ų | 49 | 91.1 Ų | 91.1 | 41% | 0.405 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C179 K180 L185 V186 E187 | C179-A183 WeakPolarHBondContact O-CB 3.3Å; C179-A183 PolarHBondContact O-N 2.97Å; K180-A183 WeakPolarHBondContact O-CB 3.25Å; K180-A183 PolarHBondContact O-N 2.83Å; A183-L185 VanDerWaalsContact C-N 3.28Å; A183-L185 PolarHBondContact O-N 2.77Å; A183-V186 PolarHBondContact O-N 2.91Å; A183-V186 VanDerWaalsContact O-N 3.11Å; A183-E187 WeakPolarHBondContact O-CG 3.49Å; A183-E187 PolarHBondContact O-N 3.45Å |
| 184 | D | 86.3 | Confident | 85.2 | Confident | 82 Ų | 82 | 94 Ų | 94 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -54.8 | -43.5 | 175 | -62.7 | -21.7 | 0 | 0 | 0 | 110.8 | K180 E187 E188 | K180-D184 WeakPolarHBondContact O-CB 3.45Å; K180-D184 PolarHBondContact O-N 2.89Å; D184-E187 PolarHBondContact O-N 3.45Å; D184-E188 PolarHBondContact O-N 3.26Å |
| 185 | L | 87.3 | Confident | 86 | Confident | 102 Ų | 102 | 96.5 Ų | 96.5 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.9 | -35.8 | 177.7 | -171.8 | 71.3 | 0 | 0 | 0 | 113 | K181 Y182 A183 E188 H189 | K181-L185 WeakPolarHBondContact O-CB 3.49Å; K181-L185 PolarHBondContact O-N 2.84Å; Y182-L185 PolarHBondContact O-N 3.03Å; A183-L185 VanDerWaalsContact C-N 3.28Å; A183-L185 PolarHBondContact O-N 2.77Å; L185-E188 PolarHBondContact O-N 2.98Å; L185-H189 WeakPolarHBondContact O-CB 3.21Å; L185-H189 PolarHBondContact O-N 3.39Å |
| 186 | V | 87.3 | Confident | 86.4 | Confident | 54 Ų | 54 | 95.7 Ų | 95.7 | 33% | 0.327 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.1 | -33.4 | 174.7 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | Y182 A183 R190 | Y182-V186 HydrophobicContact CD1-CG2 4.21Å; Y182-V186 HydrophobicContact CE1-CG2 3.85Å; Y182-V186 WeakPolarHBondContact O-CG2 3.35Å; Y182-V186 PolarHBondContact O-N 3.33Å; A183-V186 PolarHBondContact O-N 2.91Å; A183-V186 VanDerWaalsContact O-N 3.11Å; V186-R190 VanDerWaalsContact O-CB 3.31Å; V186-R190 WeakPolarHBondContact O-CB 3.23Å; V186-R190 WeakPolarHBondContact O-CG 3.44Å; V186-R190 PolarHBondContact O-N 3.38Å |
| 187 | E | 87.5 | Confident | 87 | Confident | 128 Ų | 128 | 99.8 Ų | 99.8 | 60% | 0.598 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.1 | -42.6 | 169.9 | -69.5 | -113.1 | 106.6 | 0 | 0 | 111.7 | A183 D184 R190 T191 | A183-E187 WeakPolarHBondContact O-CG 3.49Å; A183-E187 PolarHBondContact O-N 3.45Å; D184-E187 PolarHBondContact O-N 3.45Å; E187-R190 PolarHBondContact O-N 3.2Å; E187-T191 WeakPolarHBondContact O-CB 3.37Å; E187-T191 WeakPolarHBondContact O-CG2 3.35Å; E187-T191 PolarHBondContact O-N 2.96Å; E187-T191 PolarHBondContact O-OG1 3.49Å |
| 188 | E | 86.4 | Confident | 87.7 | Confident | 121 Ų | 121 | 101.4 Ų | 101.4 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -44.5 | 173.5 | -167.6 | -171.1 | 161.5 | 0 | 0 | 111.2 | D184 L185 T191 T192 | D184-E188 PolarHBondContact O-N 3.26Å; L185-E188 PolarHBondContact O-N 2.98Å; E188-T191 WeakPolarHBondContact CA-OG1 3.26Å; E188-T191 PolarHBondContact O-N 3.07Å; E188-T191 PolarHBondContact O-OG1 3.39Å; E188-T192 VanDerWaalsContact O-CB 3.23Å; E188-T192 WeakPolarHBondContact O-CB 3.27Å; E188-T192 PolarHBondContact O-N 3.05Å; E188-T192 PolarHBondContact O-OG1 2.86Å |
| 189 | H | 87 | Confident | 88.1 | Confident | 119 Ų | 119 | 103 Ų | 103 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -41.3 | 174.7 | -175.2 | -95.5 | 0 | 0 | 0 | 111.7 | L185 Q193 | L185-H189 WeakPolarHBondContact O-CB 3.21Å; L185-H189 PolarHBondContact O-N 3.39Å; H189-Q193 WeakPolarHBondContact O-CB 3.49Å; H189-Q193 PolarHBondContact O-N 2.85Å |
| 190 | R | 89.8 | Confident | 88.6 | Confident | 159 Ų | 159 | 104.6 Ų | 104.6 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -39.9 | 175.2 | -90 | -179.8 | 156.6 | 154.5 | -3.3 | 112.6 | V186 E187 K194 | V186-R190 VanDerWaalsContact O-CB 3.31Å; V186-R190 WeakPolarHBondContact O-CB 3.23Å; V186-R190 WeakPolarHBondContact O-CG 3.44Å; V186-R190 PolarHBondContact O-N 3.38Å; E187-R190 PolarHBondContact O-N 3.2Å; R190-K194 WeakPolarHBondContact O-CB 3.33Å; R190-K194 VanDerWaalsContact O-CG 3.24Å; R190-K194 WeakPolarHBondContact O-CG 3.15Å; R190-K194 PolarHBondContact O-N 3.43Å |
| 191 | T | 89.1 | Confident | 89 | Confident | 63 Ų | 63 | 104.7 Ų | 104.7 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.9 | -42.5 | 178.4 | 49.3 | 0 | 0 | 0 | 0 | 111.3 | E187 E188 Q193 K194 Q195 | E187-T191 WeakPolarHBondContact O-CB 3.37Å; E187-T191 WeakPolarHBondContact O-CG2 3.35Å; E187-T191 PolarHBondContact O-N 2.96Å; E187-T191 PolarHBondContact O-OG1 3.49Å; E188-T191 WeakPolarHBondContact CA-OG1 3.26Å; E188-T191 PolarHBondContact O-N 3.07Å; E188-T191 PolarHBondContact O-OG1 3.39Å; T191-Q193 VanDerWaalsContact C-N 3.34Å; T191-Q193 PolarHBondContact O-N 2.73Å; T191-K194 WeakPolarHBondContact O-CB 3.48Å; T191-K194 PolarHBondContact O-N 2.99Å; T191-Q195 WeakPolarHBondContact O-CG 3.27Å; T191-Q195 PolarHBondContact O-N 3.34Å |
| 192 | T | 87.8 | Confident | 89.4 | Confident | 70 Ų | 70 | 106.6 Ų | 106.6 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 172.4 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | E188 Q195 M196 | E188-T192 VanDerWaalsContact O-CB 3.23Å; E188-T192 WeakPolarHBondContact O-CB 3.27Å; E188-T192 PolarHBondContact O-N 3.05Å; E188-T192 PolarHBondContact O-OG1 2.86Å; T192-Q195 PolarHBondContact O-N 3.05Å; T192-M196 WeakPolarHBondContact O-CB 3.41Å; T192-M196 PolarHBondContact O-N 2.87Å |
| 193 | Q | 89.9 | Confident | 89.8 | Confident | 72 Ų | 72 | 105 Ų | 105 | 34% | 0.336 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.6 | -33.3 | 176 | -162.7 | 178.1 | 38 | 0 | 0 | 112.4 | H189 T191 M196 R197 | H189-Q193 WeakPolarHBondContact O-CB 3.49Å; H189-Q193 PolarHBondContact O-N 2.85Å; T191-Q193 VanDerWaalsContact C-N 3.34Å; T191-Q193 PolarHBondContact O-N 2.73Å; Q193-M196 HydrophobicContact CG-CE 4.41Å; Q193-R197 WeakPolarHBondContact O-CB 3.43Å; Q193-R197 VanDerWaalsContact O-CG 3.29Å; Q193-R197 WeakPolarHBondContact O-CG 3.48Å; Q193-R197 PolarHBondContact O-N 2.87Å |
| 194 | K | 91.9 | Very high | 90.2 | Very high | 145 Ų | 145 | 106.1 Ų | 106.1 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.9 | -47.5 | 167.7 | -76.3 | 167.8 | -179.9 | 177.2 | 0 | 111 | R190 T191 R197 A198 | R190-K194 WeakPolarHBondContact O-CB 3.33Å; R190-K194 VanDerWaalsContact O-CG 3.24Å; R190-K194 WeakPolarHBondContact O-CG 3.15Å; R190-K194 PolarHBondContact O-N 3.43Å; T191-K194 WeakPolarHBondContact O-CB 3.48Å; T191-K194 PolarHBondContact O-N 2.99Å; K194-R197 PolarHBondContact O-N 3.37Å; K194-A198 WeakPolarHBondContact O-CB 3.42Å; K194-A198 PolarHBondContact O-N 3.48Å |
| 195 | Q | 91.3 | Very high | 90.6 | Very high | 120 Ų | 120 | 106.1 Ų | 106.1 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.2 | -44.5 | 176.8 | -72.8 | 173.8 | 7.7 | 0 | 0 | 111.8 | T191 T192 A198 L199 | T191-Q195 WeakPolarHBondContact O-CG 3.27Å; T191-Q195 PolarHBondContact O-N 3.34Å; T192-Q195 PolarHBondContact O-N 3.05Å; Q195-A198 PolarHBondContact O-N 3.3Å; Q195-L199 WeakPolarHBondContact O-CB 3.16Å; Q195-L199 WeakPolarHBondContact O-CG 3.37Å; Q195-L199 PolarHBondContact O-N 2.86Å |
| 196 | M | 89.8 | Confident | 90.9 | Very high | 92 Ų | 92 | 105.7 Ų | 105.7 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 176.8 | -173.9 | -77.3 | -70.4 | 0 | 0 | 111.2 | T192 Q193 A198 L199 Q200 | T192-M196 WeakPolarHBondContact O-CB 3.41Å; T192-M196 PolarHBondContact O-N 2.87Å; Q193-M196 HydrophobicContact CG-CE 4.41Å; M196-A198 VanDerWaalsContact C-N 3.32Å; M196-A198 PolarHBondContact O-N 3.48Å; M196-L199 PolarHBondContact O-N 3.47Å; M196-Q200 WeakPolarHBondContact O-CB 3.32Å; M196-Q200 PolarHBondContact O-N 2.83Å |
| 197 | R | 91.6 | Very high | 91.3 | Very high | 148 Ų | 148 | 106.4 Ų | 106.4 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -37.3 | 174.9 | -70.7 | 173.9 | -173.3 | 179.1 | 5.4 | 112.4 | Q193 K194 K201 | Q193-R197 WeakPolarHBondContact O-CB 3.43Å; Q193-R197 VanDerWaalsContact O-CG 3.29Å; Q193-R197 WeakPolarHBondContact O-CG 3.48Å; Q193-R197 PolarHBondContact O-N 2.87Å; K194-R197 PolarHBondContact O-N 3.37Å; R197-K201 WeakPolarHBondContact O-CB 3.47Å; R197-K201 PolarHBondContact O-N 2.81Å |
| 198 | A | 92.8 | Very high | 91.6 | Very high | 62 Ų | 62 | 107.2 Ų | 107.2 | 51% | 0.512 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K194 Q195 M196 K201 K202 | K194-A198 WeakPolarHBondContact O-CB 3.42Å; K194-A198 PolarHBondContact O-N 3.48Å; Q195-A198 PolarHBondContact O-N 3.3Å; M196-A198 VanDerWaalsContact C-N 3.32Å; M196-A198 PolarHBondContact O-N 3.48Å; A198-K201 PolarHBondContact O-N 2.74Å; A198-K202 WeakPolarHBondContact O-CB 3.5Å; A198-K202 PolarHBondContact O-N 2.87Å |
| 199 | L | 92.3 | Very high | 91.9 | Very high | 118 Ų | 118 | 106.4 Ų | 106.4 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -40 | 174.6 | -72.5 | 171.8 | 0 | 0 | 0 | 111.8 | Q195 M196 K202 Q203 | Q195-L199 WeakPolarHBondContact O-CB 3.16Å; Q195-L199 WeakPolarHBondContact O-CG 3.37Å; Q195-L199 PolarHBondContact O-N 2.86Å; M196-L199 PolarHBondContact O-N 3.47Å; L199-K202 CarbonylContact O-C 3.6Å; L199-K202 PolarHBondContact O-N 3.04Å; L199-Q203 WeakPolarHBondContact O-CB 3.44Å; L199-Q203 PolarHBondContact O-N 3.49Å |
| 200 | Q | 92 | Very high | 92.3 | Very high | 109 Ų | 109 | 105.9 Ų | 105.9 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 174.4 | -171.2 | -179 | 13.5 | 0 | 0 | 111.1 | M196 Q203 S204 | M196-Q200 WeakPolarHBondContact O-CB 3.32Å; M196-Q200 PolarHBondContact O-N 2.83Å; Q200-Q203 WeakPolarHBondContact O-CB 3.4Å; Q200-Q203 PolarHBondContact O-N 3.24Å; Q200-S204 PolarHBondContact O-N 2.99Å; Q200-S204 PolarHBondContact O-OG 2.91Å; Q200-S204 VanDerWaalsContact O-OG 3.13Å |
| 201 | K | 94.1 | Very high | 92.5 | Very high | 139 Ų | 139 | 101 Ų | 101 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.8 | -44.9 | 172.8 | -173.5 | 178.7 | 177.1 | 179.6 | 0 | 111.3 | R197 A198 Q203 S204 Q205 | R197-K201 WeakPolarHBondContact O-CB 3.47Å; R197-K201 PolarHBondContact O-N 2.81Å; A198-K201 PolarHBondContact O-N 2.74Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 2.81Å; K201-S204 PolarHBondContact O-N 2.68Å; K201-Q205 WeakPolarHBondContact O-CG 3.06Å; K201-Q205 PolarHBondContact O-N 3.37Å |
| 202 | K | 94.4 | Very high | 92.8 | Very high | 126 Ų | 126 | 101.6 Ų | 101.6 | 55% | 0.548 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 176.7 | -171.1 | 173.4 | -177.7 | 177 | 0 | 112.2 | A198 L199 Q205 L206 | A198-K202 WeakPolarHBondContact O-CB 3.5Å; A198-K202 PolarHBondContact O-N 2.87Å; L199-K202 CarbonylContact O-C 3.6Å; L199-K202 PolarHBondContact O-N 3.04Å; K202-Q205 PolarHBondContact O-N 2.85Å; K202-L206 HydrophobicContact CG-CD1 4.07Å; K202-L206 HydrophobicContact CG-CG 4.42Å; K202-L206 WeakPolarHBondContact O-CB 3.34Å; K202-L206 VanDerWaalsContact O-CG 3.26Å; K202-L206 WeakPolarHBondContact O-CG 3.33Å; K202-L206 PolarHBondContact O-N 3.29Å |
| 203 | Q | 92.6 | Very high | 93.1 | Very high | 127 Ų | 127 | 103.5 Ų | 103.5 | 59% | 0.593 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -46.4 | 173.2 | -174.4 | -174.4 | 19.7 | 0 | 0 | 111 | L199 Q200 K201 Q205 L206 V207 | L199-Q203 WeakPolarHBondContact O-CB 3.44Å; L199-Q203 PolarHBondContact O-N 3.49Å; Q200-Q203 WeakPolarHBondContact O-CB 3.4Å; Q200-Q203 PolarHBondContact O-N 3.24Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 2.81Å; Q203-Q205 VanDerWaalsContact C-N 3.35Å; Q203-Q205 PolarHBondContact O-N 3.28Å; Q203-L206 PolarHBondContact O-N 3.42Å; Q203-V207 VanDerWaalsContact O-CG2 3.32Å; Q203-V207 WeakPolarHBondContact O-CG2 3.43Å; Q203-V207 PolarHBondContact O-N 2.91Å |
| 204 | S | 93.4 | Very high | 93.4 | Very high | 72 Ų | 72 | 108.1 Ų | 108.1 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | Q200 K201 V207 Q208 | Q200-S204 PolarHBondContact O-N 2.99Å; Q200-S204 PolarHBondContact O-OG 2.91Å; Q200-S204 VanDerWaalsContact O-OG 3.13Å; K201-S204 PolarHBondContact O-N 2.68Å; S204-V207 PolarHBondContact O-N 3.25Å; S204-Q208 WeakPolarHBondContact O-CB 3.49Å; S204-Q208 PolarHBondContact O-N 2.85Å |
| 205 | Q | 94.8 | Very high | 93.5 | Very high | 83 Ų | 83 | 105.7 Ų | 105.7 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -50 | 174.8 | -70.7 | 175.8 | -76.9 | 0 | 0 | 111.6 | K201 K202 Q203 V207 Q208 E209 | K201-Q205 WeakPolarHBondContact O-CG 3.06Å; K201-Q205 PolarHBondContact O-N 3.37Å; K202-Q205 PolarHBondContact O-N 2.85Å; Q203-Q205 VanDerWaalsContact C-N 3.35Å; Q203-Q205 PolarHBondContact O-N 3.28Å; Q205-V207 VanDerWaalsContact C-N 3.28Å; Q205-V207 PolarHBondContact O-N 3Å; Q205-Q208 CarbonylContact O-C 3.59Å; Q205-Q208 PolarHBondContact O-N 3.01Å; Q205-Q208 VanDerWaalsContact O-N 3.08Å; Q205-E209 WeakPolarHBondContact O-CB 3.5Å; Q205-E209 WeakPolarHBondContact O-CG 3.28Å; Q205-E209 PolarHBondContact O-N 2.91Å |
| 206 | L | 93.9 | Very high | 93.7 | Very high | 92 Ų | 92 | 104.4 Ų | 104.4 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -34.6 | 177.5 | -74.1 | 168.2 | 0 | 0 | 0 | 112.8 | K202 Q203 K210 | K202-L206 HydrophobicContact CG-CD1 4.07Å; K202-L206 HydrophobicContact CG-CG 4.42Å; K202-L206 WeakPolarHBondContact O-CB 3.34Å; K202-L206 VanDerWaalsContact O-CG 3.26Å; K202-L206 WeakPolarHBondContact O-CG 3.33Å; K202-L206 PolarHBondContact O-N 3.29Å; Q203-L206 PolarHBondContact O-N 3.42Å; L206-K210 WeakPolarHBondContact O-CB 3.34Å; L206-K210 PolarHBondContact O-N 2.88Å |
| 207 | V | 94.3 | Very high | 93.9 | Very high | 69 Ų | 69 | 105.9 Ų | 105.9 | 42% | 0.418 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -46.9 | 172.9 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | Q203 S204 Q205 K210 D211 | Q203-V207 VanDerWaalsContact O-CG2 3.32Å; Q203-V207 WeakPolarHBondContact O-CG2 3.43Å; Q203-V207 PolarHBondContact O-N 2.91Å; S204-V207 PolarHBondContact O-N 3.25Å; Q205-V207 VanDerWaalsContact C-N 3.28Å; Q205-V207 PolarHBondContact O-N 3Å; V207-K210 WeakPolarHBondContact O-CE 3.34Å; V207-K210 PolarHBondContact O-N 3.23Å; V207-D211 PolarHBondContact O-N 2.97Å |
| 208 | Q | 94.3 | Very high | 94.1 | Very high | 146 Ų | 146 | 101.4 Ų | 101.4 | 68% | 0.682 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.7 | -41.1 | 178.6 | -172.5 | 175.5 | 5.7 | 0 | 0 | 112.4 | S204 Q205 D211 N212 | S204-Q208 WeakPolarHBondContact O-CB 3.49Å; S204-Q208 PolarHBondContact O-N 2.85Å; Q205-Q208 CarbonylContact O-C 3.59Å; Q205-Q208 PolarHBondContact O-N 3.01Å; Q205-Q208 VanDerWaalsContact O-N 3.08Å; Q208-D211 PolarHBondContact O-N 2.93Å; Q208-N212 WeakPolarHBondContact O-CB 3.25Å; Q208-N212 PolarHBondContact O-N 3.4Å |
| 209 | E | 94.1 | Very high | 94.3 | Very high | 104 Ų | 104 | 105.2 Ų | 105.2 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 173.3 | -73.1 | 163.8 | -162.6 | 0 | 0 | 111 | Q205 D211 N212 L213 | Q205-E209 WeakPolarHBondContact O-CB 3.5Å; Q205-E209 WeakPolarHBondContact O-CG 3.28Å; Q205-E209 PolarHBondContact O-N 2.91Å; E209-D211 VanDerWaalsContact C-N 3.35Å; E209-D211 PolarHBondContact O-N 2.89Å; E209-N212 PolarHBondContact O-N 3.41Å; E209-L213 WeakPolarHBondContact O-CB 3.32Å; E209-L213 VanDerWaalsContact O-CG 3.32Å; E209-L213 WeakPolarHBondContact O-CG 3.36Å; E209-L213 PolarHBondContact O-N 3.49Å |
| 210 | K | 94.8 | Very high | 94.4 | Very high | 107 Ų | 107 | 102.3 Ų | 102.3 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 176.5 | 173.5 | -121.6 | 63.1 | -172 | 0 | 112.4 | L206 V207 R214 | L206-K210 WeakPolarHBondContact O-CB 3.34Å; L206-K210 PolarHBondContact O-N 2.88Å; V207-K210 WeakPolarHBondContact O-CE 3.34Å; V207-K210 PolarHBondContact O-N 3.23Å; K210-R214 WeakPolarHBondContact O-CB 3.48Å; K210-R214 PolarHBondContact O-N 3.27Å |
| 211 | D | 94.3 | Very high | 94.6 | Very high | 56 Ų | 56 | 100.6 Ų | 100.6 | 30% | 0.299 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -76.3 | -32 | 175.8 | -73.5 | -42.8 | 0 | 0 | 0 | 112.4 | V207 Q208 E209 R214 N215 | V207-D211 PolarHBondContact O-N 2.97Å; Q208-D211 PolarHBondContact O-N 2.93Å; E209-D211 VanDerWaalsContact C-N 3.35Å; E209-D211 PolarHBondContact O-N 2.89Å; D211-R214 PolarHBondContact O-N 3.47Å; D211-N215 VanDerWaalsContact O-CG 3.24Å; D211-N215 PolarHBondContact O-N 3.28Å; D211-N215 PolarHBondContact O-ND2 3.47Å; D211-N215 VanDerWaalsContact O-ND2 3.16Å |
| 212 | N | 94.5 | Very high | 94.7 | Very high | 77 Ų | 77 | 100 Ų | 100 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -49.6 | 170.7 | -173.6 | 69.2 | 0 | 0 | 0 | 111.7 | Q208 E209 R214 N215 E216 | Q208-N212 WeakPolarHBondContact O-CB 3.25Å; Q208-N212 PolarHBondContact O-N 3.4Å; E209-N212 PolarHBondContact O-N 3.41Å; N212-R214 VanDerWaalsContact C-N 3.25Å; N212-R214 PolarHBondContact O-N 3.37Å; N212-N215 WeakPolarHBondContact O-CB 3.45Å; N212-N215 PolarHBondContact O-N 3.03Å; N212-E216 PolarHBondContact ND2-OE1 2.92Å; N212-E216 WeakPolarHBondContact O-CG 3.33Å; N212-E216 PolarHBondContact O-N 2.6Å |
| 213 | L | 95.1 | Very high | 94.7 | Very high | 109 Ų | 109 | 96.4 Ų | 96.4 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.2 | -36.2 | 175.2 | -72 | 169.2 | 0 | 0 | 0 | 111.8 | E209 E216 H217 | E209-L213 WeakPolarHBondContact O-CB 3.32Å; E209-L213 VanDerWaalsContact O-CG 3.32Å; E209-L213 WeakPolarHBondContact O-CG 3.36Å; E209-L213 PolarHBondContact O-N 3.49Å; L213-E216 PolarHBondContact O-N 3.45Å; L213-H217 VanDerWaalsContact O-CB 3.25Å; L213-H217 WeakPolarHBondContact O-CB 3.44Å; L213-H217 PolarHBondContact O-N 2.88Å |
| 214 | R | 95.1 | Very high | 94.9 | Very high | 170 Ų | 170 | 98.2 Ų | 98.2 | 64% | 0.642 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.4 | -44.5 | 172.5 | -174.9 | 179.2 | -177.1 | 175 | 2.5 | 111.8 | K210 D211 N212 H217 S218 | K210-R214 WeakPolarHBondContact O-CB 3.48Å; K210-R214 PolarHBondContact O-N 3.27Å; D211-R214 PolarHBondContact O-N 3.47Å; N212-R214 VanDerWaalsContact C-N 3.25Å; N212-R214 PolarHBondContact O-N 3.37Å; R214-H217 PolarHBondContact O-N 2.9Å; R214-S218 PolarHBondContact O-N 3.47Å; R214-S218 PolarHBondContact O-OG 2.97Å; R214-S218 VanDerWaalsContact O-OG 3.1Å |
| 215 | N | 94.4 | Very high | 95 | Very high | 94 Ų | 94 | 97.6 Ų | 97.6 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 177.2 | -70.5 | -30.9 | 0 | 0 | 0 | 112.2 | D211 N212 S218 K219 | D211-N215 VanDerWaalsContact O-CG 3.24Å; D211-N215 PolarHBondContact O-N 3.28Å; D211-N215 PolarHBondContact O-ND2 3.47Å; D211-N215 VanDerWaalsContact O-ND2 3.16Å; N212-N215 WeakPolarHBondContact O-CB 3.45Å; N212-N215 PolarHBondContact O-N 3.03Å; N215-S218 PolarHBondContact O-N 3.45Å; N215-K219 VanDerWaalsContact O-CG 3.31Å; N215-K219 WeakPolarHBondContact O-CG 3.49Å; N215-K219 PolarHBondContact O-N 3.49Å |
| 216 | E | 94.8 | Very high | 95.1 | Very high | 92 Ų | 92 | 100.7 Ų | 100.7 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 173.9 | -73 | 170.9 | 176.5 | 0 | 0 | 111.6 | N212 L213 S218 K219 A220 | N212-E216 PolarHBondContact ND2-OE1 2.92Å; N212-E216 WeakPolarHBondContact O-CG 3.33Å; N212-E216 PolarHBondContact O-N 2.6Å; L213-E216 PolarHBondContact O-N 3.45Å; E216-S218 PolarHBondContact O-N 2.85Å; E216-K219 PolarHBondContact O-N 3.37Å; E216-A220 WeakPolarHBondContact O-CB 3.35Å; E216-A220 PolarHBondContact O-N 3.35Å |
| 217 | H | 94.8 | Very high | 95.2 | Very high | 124 Ų | 124 | 101.5 Ų | 101.5 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.2 | -42.7 | 173.9 | -173.8 | 68.3 | 0 | 0 | 0 | 112 | L213 R214 A220 I221 | L213-H217 VanDerWaalsContact O-CB 3.25Å; L213-H217 WeakPolarHBondContact O-CB 3.44Å; L213-H217 PolarHBondContact O-N 2.88Å; R214-H217 PolarHBondContact O-N 2.9Å; H217-A220 PolarHBondContact O-N 2.92Å; H217-I221 WeakPolarHBondContact O-CG1 3.46Å; H217-I221 PolarHBondContact O-N 3.48Å |
| 218 | S | 96 | Very high | 95.2 | Very high | 54 Ų | 54 | 102 Ų | 102 | 38% | 0.378 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 174.1 | -63 | 0 | 0 | 0 | 0 | 112.7 | R214 N215 E216 I221 L222 | R214-S218 PolarHBondContact O-N 3.47Å; R214-S218 PolarHBondContact O-OG 2.97Å; R214-S218 VanDerWaalsContact O-OG 3.1Å; N215-S218 PolarHBondContact O-N 3.45Å; E216-S218 PolarHBondContact O-N 2.85Å; S218-I221 PolarHBondContact O-N 3.23Å; S218-L222 WeakPolarHBondContact O-CG 3.47Å; S218-L222 PolarHBondContact O-N 3.3Å; S218-L222 VanDerWaalsContact O-N 3.12Å |
| 219 | K | 96.5 | Very high | 95.3 | Very high | 142 Ų | 142 | 98 Ų | 98 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | 172.6 | -71.5 | 168.1 | -177.4 | 175.8 | 0 | 111.7 | N215 E216 L222 A223 | N215-K219 VanDerWaalsContact O-CG 3.31Å; N215-K219 WeakPolarHBondContact O-CG 3.49Å; N215-K219 PolarHBondContact O-N 3.49Å; E216-K219 PolarHBondContact O-N 3.37Å; K219-L222 PolarHBondContact O-N 2.78Å; K219-A223 WeakPolarHBondContact O-CB 3.47Å; K219-A223 PolarHBondContact O-N 3.44Å |
| 220 | A | 95.3 | Very high | 95.4 | Very high | 56 Ų | 56 | 97.3 Ų | 97.3 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -38 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | E216 H217 A223 R224 | E216-A220 WeakPolarHBondContact O-CB 3.35Å; E216-A220 PolarHBondContact O-N 3.35Å; H217-A220 PolarHBondContact O-N 2.92Å; A220-A223 PolarHBondContact O-N 3.44Å; A220-R224 WeakPolarHBondContact O-CB 3.24Å; A220-R224 PolarHBondContact O-N 2.87Å |
| 221 | I | 95.6 | Very high | 95.4 | Very high | 73 Ų | 73 | 95.6 Ų | 95.6 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 172 | -70.9 | 165.6 | 0 | 0 | 0 | 110.6 | H217 S218 A223 R224 S225 | H217-I221 WeakPolarHBondContact O-CG1 3.46Å; H217-I221 PolarHBondContact O-N 3.48Å; S218-I221 PolarHBondContact O-N 3.23Å; I221-A223 VanDerWaalsContact C-N 3.34Å; I221-A223 PolarHBondContact O-N 3.38Å; I221-R224 WeakPolarHBondContact O-CB 3.31Å; I221-R224 PolarHBondContact O-N 3Å; I221-S225 PolarHBondContact O-N 3.01Å; I221-S225 PolarHBondContact O-OG 3.4Å |
| 222 | L | 95.6 | Very high | 95.5 | Very high | 127 Ų | 127 | 100 Ų | 100 | 67% | 0.665 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -41.4 | 179 | -69.7 | 170.8 | 0 | 0 | 0 | 112.2 | S218 K219 S225 K226 | S218-L222 WeakPolarHBondContact O-CG 3.47Å; S218-L222 PolarHBondContact O-N 3.3Å; S218-L222 VanDerWaalsContact O-N 3.12Å; K219-L222 PolarHBondContact O-N 2.78Å; L222-S225 PolarHBondContact O-N 2.85Å; L222-K226 PolarHBondContact O-N 3.45Å |
| 223 | A | 95.6 | Very high | 95.6 | Very high | 51 Ų | 51 | 100.6 Ų | 100.6 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K219 A220 I221 K226 L227 | K219-A223 WeakPolarHBondContact O-CB 3.47Å; K219-A223 PolarHBondContact O-N 3.44Å; A220-A223 PolarHBondContact O-N 3.44Å; I221-A223 VanDerWaalsContact C-N 3.34Å; I221-A223 PolarHBondContact O-N 3.38Å; A223-K226 PolarHBondContact O-N 3.25Å; A223-L227 WeakPolarHBondContact O-CB 3.44Å; A223-L227 WeakPolarHBondContact O-CG 3.42Å; A223-L227 PolarHBondContact O-N 3.14Å |
| 224 | R | 95.5 | Very high | 95.6 | Very high | 164 Ų | 164 | 100.7 Ų | 100.7 | 62% | 0.619 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.7 | -47.3 | 175.7 | -166.8 | -171.8 | 78.3 | 176.8 | 4.3 | 111.5 | A220 I221 K226 L227 E228 | A220-R224 WeakPolarHBondContact O-CB 3.24Å; A220-R224 PolarHBondContact O-N 2.87Å; I221-R224 WeakPolarHBondContact O-CB 3.31Å; I221-R224 PolarHBondContact O-N 3Å; R224-K226 VanDerWaalsContact C-N 3.35Å; R224-K226 PolarHBondContact O-N 2.96Å; R224-L227 PolarHBondContact O-N 3.26Å; R224-E228 WeakPolarHBondContact O-CB 3.37Å; R224-E228 PolarHBondContact O-N 2.95Å |
| 225 | S | 96.3 | Very high | 95.6 | Very high | 60 Ų | 60 | 97.7 Ų | 97.7 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 178 | -67.9 | 0 | 0 | 0 | 0 | 112.5 | I221 L222 S229 | I221-S225 PolarHBondContact O-N 3.01Å; I221-S225 PolarHBondContact O-OG 3.4Å; L222-S225 PolarHBondContact O-N 2.85Å; S225-S229 WeakPolarHBondContact O-CB 3.3Å; S225-S229 PolarHBondContact O-N 3.3Å |
| 226 | K | 96.6 | Very high | 95.8 | Very high | 147 Ų | 147 | 99.1 Ų | 99.1 | 64% | 0.639 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -45.3 | 174.2 | -173.2 | 174.5 | -179.2 | 178.5 | 0 | 111.8 | L222 A223 R224 S229 L230 | L222-K226 PolarHBondContact O-N 3.45Å; A223-K226 PolarHBondContact O-N 3.25Å; R224-K226 VanDerWaalsContact C-N 3.35Å; R224-K226 PolarHBondContact O-N 2.96Å; K226-S229 PolarHBondContact O-N 2.9Å; K226-L230 HydrophobicContact CG-CD1 4.18Å; K226-L230 WeakPolarHBondContact O-CG 3.49Å; K226-L230 PolarHBondContact O-N 2.89Å |
| 227 | L | 95.9 | Very high | 95.8 | Very high | 109 Ų | 109 | 100.3 Ų | 100.3 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 176 | -72.1 | 171.4 | 0 | 0 | 0 | 111.8 | A223 R224 S229 L230 C231 | A223-L227 WeakPolarHBondContact O-CB 3.44Å; A223-L227 WeakPolarHBondContact O-CG 3.42Å; A223-L227 PolarHBondContact O-N 3.14Å; R224-L227 PolarHBondContact O-N 3.26Å; L227-S229 PolarHBondContact O-N 3.46Å; L227-L230 PolarHBondContact O-N 3.45Å; L227-C231 WeakPolarHBondContact O-CB 3.31Å; L227-C231 PolarHBondContact O-N 2.91Å; L227-C231 PolarHBondContact O-SG 3.41Å |
| 228 | E | 95.1 | Very high | 95.8 | Very high | 79 Ų | 79 | 98.1 Ų | 98.1 | 37% | 0.369 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 176.8 | -163.9 | -168.6 | 143.6 | 0 | 0 | 111.6 | R224 C231 R232 | R224-E228 WeakPolarHBondContact O-CB 3.37Å; R224-E228 PolarHBondContact O-N 2.95Å; E228-C231 PolarHBondContact O-N 2.95Å; E228-R232 WeakPolarHBondContact O-CB 3.18Å; E228-R232 VanDerWaalsContact O-CG 3.26Å; E228-R232 WeakPolarHBondContact O-CG 3.44Å; E228-R232 PolarHBondContact O-N 3.29Å; E228-R232 IonicContact OE1-CZ 2.73Å; E228-R232 VanDerWaalsContact OE1-CZ 3.22Å; E228-R232 IonicContact OE1-NE 2.7Å; E228-R232 PolarHBondContact OE1-NE 3.45Å; E228-R232 IonicContact OE1-NH2 2.67Å; E228-R232 PolarHBondContact OE1-NH2 3.07Å |
| 229 | S | 95.9 | Very high | 95.8 | Very high | 63 Ų | 63 | 102.6 Ų | 102.6 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 173.4 | -167.2 | 0 | 0 | 0 | 0 | 111.7 | S225 K226 L227 C231 R232 E233 | S225-S229 WeakPolarHBondContact O-CB 3.3Å; S225-S229 PolarHBondContact O-N 3.3Å; K226-S229 PolarHBondContact O-N 2.9Å; L227-S229 PolarHBondContact O-N 3.46Å; S229-C231 VanDerWaalsContact C-N 3.35Å; S229-C231 PolarHBondContact O-N 2.91Å; S229-R232 PolarHBondContact O-N 3.46Å; S229-E233 WeakPolarHBondContact O-CB 3.27Å; S229-E233 PolarHBondContact O-N 2.96Å |
| 230 | L | 95.8 | Very high | 95.7 | Very high | 90 Ų | 90 | 98.7 Ų | 98.7 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 177.3 | -71.6 | 168.5 | 0 | 0 | 0 | 112.3 | K226 L227 E233 L234 | K226-L230 HydrophobicContact CG-CD1 4.18Å; K226-L230 WeakPolarHBondContact O-CG 3.49Å; K226-L230 PolarHBondContact O-N 2.89Å; L227-L230 PolarHBondContact O-N 3.45Å; L230-E233 PolarHBondContact O-N 2.87Å; L230-L234 VanDerWaalsContact O-CB 3.29Å; L230-L234 WeakPolarHBondContact O-CB 3.29Å; L230-L234 PolarHBondContact O-N 3.3Å |
| 231 | C | 94.9 | Very high | 95.7 | Very high | 70 Ų | 70 | 100.7 Ų | 100.7 | 47% | 0.473 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 173.6 | -73.5 | 0 | 0 | 0 | 0 | 111.9 | L227 E228 S229 E233 Q235 | L227-C231 WeakPolarHBondContact O-CB 3.31Å; L227-C231 PolarHBondContact O-N 2.91Å; L227-C231 PolarHBondContact O-SG 3.41Å; E228-C231 PolarHBondContact O-N 2.95Å; S229-C231 VanDerWaalsContact C-N 3.35Å; S229-C231 PolarHBondContact O-N 2.91Å; C231-E233 VanDerWaalsContact C-N 3.29Å; C231-E233 PolarHBondContact O-N 3.48Å; C231-Q235 VanDerWaalsContact O-CB 3.26Å; C231-Q235 WeakPolarHBondContact O-CB 3.2Å; C231-Q235 WeakPolarHBondContact O-CG 3.49Å; C231-Q235 PolarHBondContact O-N 2.97Å |
| 232 | R | 96.8 | Very high | 95.7 | Very high | 148 Ų | 148 | 103.8 Ų | 103.8 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -34.6 | 174.2 | -71.8 | 168.1 | 179.6 | -101.7 | 7.1 | 111.7 | E228 S229 R236 | E228-R232 WeakPolarHBondContact O-CB 3.18Å; E228-R232 VanDerWaalsContact O-CG 3.26Å; E228-R232 WeakPolarHBondContact O-CG 3.44Å; E228-R232 PolarHBondContact O-N 3.29Å; E228-R232 IonicContact OE1-CZ 2.73Å; E228-R232 VanDerWaalsContact OE1-CZ 3.22Å; E228-R232 IonicContact OE1-NE 2.7Å; E228-R232 PolarHBondContact OE1-NE 3.45Å; E228-R232 IonicContact OE1-NH2 2.67Å; E228-R232 PolarHBondContact OE1-NH2 3.07Å; S229-R232 PolarHBondContact O-N 3.46Å; R232-R236 WeakPolarHBondContact O-CG 3.29Å; R232-R236 PolarHBondContact O-N 3.36Å; R232-R236 PolarHBondContact O-NE 2.98Å |
| 233 | E | 95.9 | Very high | 95.7 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 43% | 0.425 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.3 | -50.3 | 176.8 | -166.2 | 122.7 | -93 | 0 | 0 | 112.5 | S229 L230 C231 Q235 R236 H237 | S229-E233 WeakPolarHBondContact O-CB 3.27Å; S229-E233 PolarHBondContact O-N 2.96Å; L230-E233 PolarHBondContact O-N 2.87Å; C231-E233 VanDerWaalsContact C-N 3.29Å; C231-E233 PolarHBondContact O-N 3.48Å; E233-Q235 VanDerWaalsContact C-N 3.26Å; E233-Q235 PolarHBondContact O-N 3.5Å; E233-R236 WeakPolarHBondContact O-CA 3.43Å; E233-R236 WeakPolarHBondContact O-CB 3.43Å; E233-R236 PolarHBondContact O-N 3.5Å; E233-R236 IonicContact OE1-CZ 3.16Å; E233-R236 IonicContact OE1-NH1 2.67Å; E233-R236 PolarHBondContact OE1-NH1 3.17Å; E233-R236 IonicContact OE1-NH2 3.6Å; E233-R236 PolarHBondContact OE1-NH2 3.49Å; E233-H237 PolarHBondContact O-N 3.48Å |
| 234 | L | 95.4 | Very high | 95.6 | Very high | 111 Ų | 111 | 106.1 Ų | 106.1 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.3 | -37.7 | 175.1 | -176.7 | 63.2 | 0 | 0 | 0 | 111.2 | L230 N238 | L230-L234 VanDerWaalsContact O-CB 3.29Å; L230-L234 WeakPolarHBondContact O-CB 3.29Å; L230-L234 PolarHBondContact O-N 3.3Å; L234-N238 WeakPolarHBondContact CD1-ND2 3.13Å; L234-N238 VanDerWaalsContact O-CB 3.29Å; L234-N238 WeakPolarHBondContact O-CB 3.3Å; L234-N238 PolarHBondContact O-N 2.93Å; L234-N238 PolarHBondContact O-ND2 2.94Å |
| 235 | Q | 95.6 | Very high | 95.5 | Very high | 106 Ų | 106 | 99.8 Ų | 99.8 | 50% | 0.495 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.9 | -32.9 | 172.4 | -76.8 | 178.8 | 20 | 0 | 0 | 113.6 | C231 E233 R239 | C231-Q235 VanDerWaalsContact O-CB 3.26Å; C231-Q235 WeakPolarHBondContact O-CB 3.2Å; C231-Q235 WeakPolarHBondContact O-CG 3.49Å; C231-Q235 PolarHBondContact O-N 2.97Å; E233-Q235 VanDerWaalsContact C-N 3.26Å; E233-Q235 PolarHBondContact O-N 3.5Å; Q235-R239 VanDerWaalsContact O-CG 3.31Å; Q235-R239 WeakPolarHBondContact O-CG 3.25Å; Q235-R239 PolarHBondContact O-N 3.34Å; Q235-R239 PolarHBondContact O-NE 3.43Å |
| 236 | R | 97.1 | Very high | 95.5 | Very high | 125 Ų | 125 | 101.5 Ų | 101.5 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -54.1 | 170.8 | -82.9 | -179.7 | -81.6 | 114.1 | -6.2 | 109.9 | R232 E233 N238 R239 T240 | R232-R236 WeakPolarHBondContact O-CG 3.29Å; R232-R236 PolarHBondContact O-N 3.36Å; R232-R236 PolarHBondContact O-NE 2.98Å; E233-R236 WeakPolarHBondContact O-CA 3.43Å; E233-R236 WeakPolarHBondContact O-CB 3.43Å; E233-R236 PolarHBondContact O-N 3.5Å; E233-R236 IonicContact OE1-CZ 3.16Å; E233-R236 IonicContact OE1-NH1 2.67Å; E233-R236 PolarHBondContact OE1-NH1 3.17Å; E233-R236 IonicContact OE1-NH2 3.6Å; E233-R236 PolarHBondContact OE1-NH2 3.49Å; R236-N238 VanDerWaalsContact C-N 3.27Å; R236-N238 PolarHBondContact O-N 3.08Å; R236-R239 WeakPolarHBondContact O-CA 3.39Å; R236-R239 WeakPolarHBondContact O-CB 3.41Å; R236-R239 PolarHBondContact O-N 2.89Å; R236-T240 PolarHBondContact O-N 3.47Å; R236-T240 PolarHBondContact O-OG1 3.38Å |
| 237 | H | 95.6 | Very high | 95.4 | Very high | 116 Ų | 116 | 98.4 Ų | 98.4 | 54% | 0.537 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.1 | -35.5 | 179.3 | -165.3 | -31.1 | 0 | 0 | 0 | 112.8 | E233 R239 L241 | E233-H237 PolarHBondContact O-N 3.48Å; H237-R239 VanDerWaalsContact C-N 3.31Å; H237-R239 PolarHBondContact O-N 2.85Å; H237-L241 VanDerWaalsContact O-CB 3.23Å; H237-L241 WeakPolarHBondContact O-CB 3.31Å; H237-L241 PolarHBondContact O-N 2.86Å |
| 238 | N | 94.4 | Very high | 95.4 | Very high | 79 Ų | 79 | 102 Ų | 102 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.1 | -16.7 | 174.9 | -88.7 | -98.8 | 0 | 0 | 0 | 114.4 | L234 R236 K242 | L234-N238 WeakPolarHBondContact CD1-ND2 3.13Å; L234-N238 VanDerWaalsContact O-CB 3.29Å; L234-N238 WeakPolarHBondContact O-CB 3.3Å; L234-N238 PolarHBondContact O-N 2.93Å; L234-N238 PolarHBondContact O-ND2 2.94Å; R236-N238 VanDerWaalsContact C-N 3.27Å; R236-N238 PolarHBondContact O-N 3.08Å; N238-K242 WeakPolarHBondContact O-CD 3.37Å; N238-K242 VanDerWaalsContact O-CG 3.28Å; N238-K242 WeakPolarHBondContact O-CG 3.38Å |
| 239 | R | 96.2 | Very high | 95.3 | Very high | 147 Ų | 147 | 102.4 Ų | 102.4 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -83.8 | -52.9 | 168.5 | -69.4 | 172.1 | -149.6 | -162.3 | 3.6 | 109.4 | Q235 R236 H237 L241 K242 E243 | Q235-R239 VanDerWaalsContact O-CG 3.31Å; Q235-R239 WeakPolarHBondContact O-CG 3.25Å; Q235-R239 PolarHBondContact O-N 3.34Å; Q235-R239 PolarHBondContact O-NE 3.43Å; R236-R239 WeakPolarHBondContact O-CA 3.39Å; R236-R239 WeakPolarHBondContact O-CB 3.41Å; R236-R239 PolarHBondContact O-N 2.89Å; H237-R239 VanDerWaalsContact C-N 3.31Å; H237-R239 PolarHBondContact O-N 2.85Å; R239-L241 VanDerWaalsContact C-N 3.33Å; R239-L241 PolarHBondContact O-N 3.23Å; R239-K242 CarbonylContact O-C 3.54Å; R239-K242 WeakPolarHBondContact O-CA 3.35Å; R239-K242 WeakPolarHBondContact O-CB 3.33Å; R239-K242 PolarHBondContact O-N 3.31Å; R239-E243 WeakPolarHBondContact O-CG 3.29Å; R239-E243 PolarHBondContact O-N 3.13Å |
| 240 | T | 94.9 | Very high | 95.3 | Very high | 60 Ų | 60 | 105.8 Ų | 105.8 | 37% | 0.368 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -53.6 | -46.8 | 178.5 | -52.3 | 0 | 0 | 0 | 0 | 112 | R236 K242 E243 E244 | R236-T240 PolarHBondContact O-N 3.47Å; R236-T240 PolarHBondContact O-OG1 3.38Å; T240-K242 VanDerWaalsContact C-N 3.28Å; T240-K242 PolarHBondContact O-N 2.69Å; T240-E243 WeakPolarHBondContact CA-OE2 3.11Å; T240-E243 PolarHBondContact O-N 3.22Å; T240-E243 VanDerWaalsContact O-N 3.17Å; T240-E244 HydrophobicContact CG2-CG 4.31Å; T240-E244 WeakPolarHBondContact CG2-OE1 3.42Å; T240-E244 WeakPolarHBondContact O-CB 3.44Å; T240-E244 VanDerWaalsContact O-CG 3.28Å; T240-E244 WeakPolarHBondContact O-CG 3.5Å; T240-E244 PolarHBondContact O-N 2.65Å |
| 241 | L | 95.2 | Very high | 95.2 | Very high | 98 Ų | 98 | 105.8 Ų | 105.8 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -27.8 | 177.8 | -176.2 | 147.4 | 0 | 0 | 0 | 113.5 | H237 R239 G245 | H237-L241 VanDerWaalsContact O-CB 3.23Å; H237-L241 WeakPolarHBondContact O-CB 3.31Å; H237-L241 PolarHBondContact O-N 2.86Å; R239-L241 VanDerWaalsContact C-N 3.33Å; R239-L241 PolarHBondContact O-N 3.23Å; L241-G245 PolarHBondContact O-N 2.84Å |
| 242 | K | 95.6 | Very high | 95.2 | Very high | 139 Ų | 139 | 106.8 Ų | 106.8 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -78 | -38.5 | 172.8 | -71.4 | 177.9 | -176.8 | -174.1 | 0 | 111.8 | N238 R239 T240 G245 I246 | N238-K242 WeakPolarHBondContact O-CD 3.37Å; N238-K242 VanDerWaalsContact O-CG 3.28Å; N238-K242 WeakPolarHBondContact O-CG 3.38Å; R239-K242 CarbonylContact O-C 3.54Å; R239-K242 WeakPolarHBondContact O-CA 3.35Å; R239-K242 WeakPolarHBondContact O-CB 3.33Å; R239-K242 PolarHBondContact O-N 3.31Å; T240-K242 VanDerWaalsContact C-N 3.28Å; T240-K242 PolarHBondContact O-N 2.69Å; K242-G245 PolarHBondContact O-N 2.87Å; K242-I246 WeakPolarHBondContact O-CB 3.43Å; K242-I246 WeakPolarHBondContact O-CD1 3.39Å; K242-I246 VanDerWaalsContact O-CG1 3.27Å; K242-I246 WeakPolarHBondContact O-CG1 3.29Å; K242-I246 PolarHBondContact O-N 2.95Å |
| 243 | E | 95.1 | Very high | 95.1 | Very high | 117 Ų | 117 | 104.4 Ų | 104.4 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 175.5 | -70.1 | 152.3 | -170.1 | 0 | 0 | 110.3 | R239 T240 I246 Q247 | R239-E243 WeakPolarHBondContact O-CG 3.29Å; R239-E243 PolarHBondContact O-N 3.13Å; T240-E243 WeakPolarHBondContact CA-OE2 3.11Å; T240-E243 PolarHBondContact O-N 3.22Å; T240-E243 VanDerWaalsContact O-N 3.17Å; E243-I246 PolarHBondContact O-N 3.49Å; E243-Q247 VanDerWaalsContact O-CB 3.28Å; E243-Q247 WeakPolarHBondContact O-CB 3.43Å; E243-Q247 PolarHBondContact O-N 3.47Å |
| 244 | E | 94.4 | Very high | 95 | Very high | 109 Ų | 109 | 104.9 Ų | 104.9 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 170.9 | -73.2 | 171.2 | 174.6 | 0 | 0 | 112.5 | T240 Q247 R248 | T240-E244 HydrophobicContact CG2-CG 4.31Å; T240-E244 WeakPolarHBondContact CG2-OE1 3.42Å; T240-E244 WeakPolarHBondContact O-CB 3.44Å; T240-E244 VanDerWaalsContact O-CG 3.28Å; T240-E244 WeakPolarHBondContact O-CG 3.5Å; T240-E244 PolarHBondContact O-N 2.65Å; E244-Q247 PolarHBondContact O-N 3.43Å; E244-R248 VanDerWaalsContact O-CB 3.29Å; E244-R248 WeakPolarHBondContact O-CB 3.42Å; E244-R248 PolarHBondContact O-N 3.32Å |
| 245 | G | 93.6 | Very high | 95 | Very high | 32 Ų | 32 | 104.2 Ų | 104.2 | 33% | 0.33 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L241 K242 Q247 R248 T249 | L241-G245 PolarHBondContact O-N 2.84Å; K242-G245 PolarHBondContact O-N 2.87Å; G245-Q247 VanDerWaalsContact C-N 3.33Å; G245-Q247 PolarHBondContact O-N 3.13Å; G245-R248 PolarHBondContact O-N 3.25Å; G245-T249 PolarHBondContact O-N 3.19Å; G245-T249 PolarHBondContact O-OG1 3.33Å |
| 246 | I | 95.1 | Very high | 95.1 | Very high | 95 Ų | 95 | 106.1 Ų | 106.1 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 175.5 | -69.5 | 164.5 | 0 | 0 | 0 | 110.8 | K242 E243 T249 R250 | K242-I246 WeakPolarHBondContact O-CB 3.43Å; K242-I246 WeakPolarHBondContact O-CD1 3.39Å; K242-I246 VanDerWaalsContact O-CG1 3.27Å; K242-I246 WeakPolarHBondContact O-CG1 3.29Å; K242-I246 PolarHBondContact O-N 2.95Å; E243-I246 PolarHBondContact O-N 3.49Å; I246-T249 PolarHBondContact O-N 2.88Å; I246-R250 WeakPolarHBondContact O-CG 3.44Å; I246-R250 PolarHBondContact O-N 3.34Å |
| 247 | Q | 95.6 | Very high | 95.1 | Very high | 83 Ų | 83 | 105.7 Ų | 105.7 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.4 | -36.6 | -179.5 | -167.9 | 60.1 | 23.8 | 0 | 0 | 112.1 | E243 E244 G245 R250 L251 | E243-Q247 VanDerWaalsContact O-CB 3.28Å; E243-Q247 WeakPolarHBondContact O-CB 3.43Å; E243-Q247 PolarHBondContact O-N 3.47Å; E244-Q247 PolarHBondContact O-N 3.43Å; G245-Q247 VanDerWaalsContact C-N 3.33Å; G245-Q247 PolarHBondContact O-N 3.13Å; Q247-R250 PolarHBondContact O-N 2.91Å; Q247-L251 HydrophobicContact CG-CD1 4.26Å; Q247-L251 VanDerWaalsContact O-CG 3.3Å; Q247-L251 WeakPolarHBondContact O-CG 3.5Å; Q247-L251 PolarHBondContact O-N 3.03Å |
| 248 | R | 94.5 | Very high | 95.1 | Very high | 184 Ų | 184 | 105.9 Ų | 105.9 | 69% | 0.694 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.8 | -47.3 | 172.8 | -172.6 | -177.5 | -61.9 | -155 | -0.7 | 111.1 | E244 G245 R250 L251 E252 | E244-R248 VanDerWaalsContact O-CB 3.29Å; E244-R248 WeakPolarHBondContact O-CB 3.42Å; E244-R248 PolarHBondContact O-N 3.32Å; G245-R248 PolarHBondContact O-N 3.25Å; R248-R250 VanDerWaalsContact C-N 3.3Å; R248-R250 PolarHBondContact O-N 3.02Å; R248-L251 PolarHBondContact O-N 3.37Å; R248-E252 WeakPolarHBondContact O-CB 3.47Å; R248-E252 PolarHBondContact O-N 3.08Å |
| 249 | T | 94.2 | Very high | 95 | Very high | 87 Ų | 87 | 104.9 Ų | 104.9 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 176.1 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | G245 I246 E252 E253 | G245-T249 PolarHBondContact O-N 3.19Å; G245-T249 PolarHBondContact O-OG1 3.33Å; I246-T249 PolarHBondContact O-N 2.88Å; T249-E252 PolarHBondContact O-N 3.02Å; T249-E253 WeakPolarHBondContact O-CB 3.45Å; T249-E253 PolarHBondContact O-N 2.94Å |
| 250 | R | 95.4 | Very high | 95 | Very high | 134 Ų | 134 | 102.5 Ų | 102.5 | 51% | 0.506 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -49 | 174.6 | -74.9 | 171.8 | 175.1 | 173.4 | -4.1 | 112.6 | I246 Q247 R248 E252 E253 E254 | I246-R250 WeakPolarHBondContact O-CG 3.44Å; I246-R250 PolarHBondContact O-N 3.34Å; Q247-R250 PolarHBondContact O-N 2.91Å; R248-R250 VanDerWaalsContact C-N 3.3Å; R248-R250 PolarHBondContact O-N 3.02Å; R250-E252 VanDerWaalsContact C-N 3.3Å; R250-E252 PolarHBondContact O-N 2.81Å; R250-E253 CarbonylContact O-C 3.6Å; R250-E253 PolarHBondContact O-N 3.13Å; R250-E253 VanDerWaalsContact O-N 3.16Å; R250-E254 WeakPolarHBondContact O-CB 3.49Å; R250-E254 WeakPolarHBondContact O-CG 3.39Å; R250-E254 PolarHBondContact O-N 3.46Å |
| 251 | L | 94.3 | Very high | 95.1 | Very high | 90 Ų | 90 | 103.5 Ų | 103.5 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 179 | -70 | 167.8 | 0 | 0 | 0 | 112 | Q247 R248 E254 K255 | Q247-L251 HydrophobicContact CG-CD1 4.26Å; Q247-L251 VanDerWaalsContact O-CG 3.3Å; Q247-L251 WeakPolarHBondContact O-CG 3.5Å; Q247-L251 PolarHBondContact O-N 3.03Å; R248-L251 PolarHBondContact O-N 3.37Å; L251-E254 PolarHBondContact O-N 3.47Å; L251-K255 PolarHBondContact O-N 3.2Å |
| 252 | E | 93.3 | Very high | 95.1 | Very high | 91 Ų | 91 | 102.2 Ų | 102.2 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.7 | -32.7 | 175.4 | -156 | -163.7 | 134.5 | 0 | 0 | 112.4 | R248 T249 R250 R256 | R248-E252 WeakPolarHBondContact O-CB 3.47Å; R248-E252 PolarHBondContact O-N 3.08Å; T249-E252 PolarHBondContact O-N 3.02Å; R250-E252 VanDerWaalsContact C-N 3.3Å; R250-E252 PolarHBondContact O-N 2.81Å; E252-R256 WeakPolarHBondContact O-CG 3.47Å; E252-R256 PolarHBondContact O-N 3.24Å; E252-R256 VanDerWaalsContact O-N 3.12Å; E252-R256 IonicContact OE1-CZ 2.72Å; E252-R256 IonicContact OE1-NH1 2.71Å; E252-R256 PolarHBondContact OE1-NH1 3.33Å; E252-R256 IonicContact OE1-NH2 2.66Å; E252-R256 PolarHBondContact OE1-NH2 2.79Å |
| 253 | E | 94.8 | Very high | 95.1 | Very high | 99 Ų | 99 | 100.8 Ų | 100.8 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.4 | -37.2 | 172.6 | -162.1 | -167.7 | 144.3 | 0 | 0 | 111.7 | T249 R250 R256 K257 | T249-E253 WeakPolarHBondContact O-CB 3.45Å; T249-E253 PolarHBondContact O-N 2.94Å; R250-E253 CarbonylContact O-C 3.6Å; R250-E253 PolarHBondContact O-N 3.13Å; R250-E253 VanDerWaalsContact O-N 3.16Å; E253-R256 PolarHBondContact O-N 2.83Å; E253-K257 VanDerWaalsContact O-CG 3.31Å; E253-K257 WeakPolarHBondContact O-CG 3.47Å; E253-K257 PolarHBondContact O-N 2.88Å; E253-K257 WeakPolarHBondContact OE1-CE 3.45Å; E253-K257 IonicContact OE1-NZ 3.53Å; E253-K257 PolarHBondContact OE1-NZ 3.2Å |
| 254 | E | 95.2 | Very high | 95.2 | Very high | 101 Ų | 101 | 100 Ų | 100 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.8 | -48.7 | 173.6 | -75.6 | 165.3 | -176.8 | 0 | 0 | 110.9 | R250 L251 R256 K257 E258 | R250-E254 WeakPolarHBondContact O-CB 3.49Å; R250-E254 WeakPolarHBondContact O-CG 3.39Å; R250-E254 PolarHBondContact O-N 3.46Å; L251-E254 PolarHBondContact O-N 3.47Å; E254-R256 VanDerWaalsContact C-N 3.31Å; E254-R256 PolarHBondContact O-N 2.69Å; E254-K257 WeakPolarHBondContact O-CB 3.27Å; E254-K257 PolarHBondContact O-N 2.59Å; E254-K257 VanDerWaalsContact O-N 3.08Å; E254-E258 PolarHBondContact O-N 3.49Å |
| 255 | K | 95.7 | Very high | 95.3 | Very high | 96 Ų | 96 | 96.8 Ų | 96.8 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -55.8 | -42 | 171.8 | -79.6 | -162.4 | 173.8 | -161.8 | 0 | 112.4 | E100 L251 E258 V259 | E100-K255 IonicContact OE1-NZ 2.91Å; E100-K255 IonicContact OE2-NZ 3.96Å; E100-K255 PolarHBondContact OE2-NZ 2.87Å; L251-K255 PolarHBondContact O-N 3.2Å; K255-E258 PolarHBondContact O-N 2.88Å; K255-V259 WeakPolarHBondContact O-CG2 3.41Å; K255-V259 PolarHBondContact O-N 3.28Å |
| 256 | R | 96.6 | Very high | 95.4 | Very high | 147 Ų | 147 | 95.8 Ų | 95.8 | 56% | 0.555 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 174.9 | -80 | -167.6 | -174.3 | 83.7 | 4.4 | 112.5 | E252 E253 E254 T260 | E252-R256 WeakPolarHBondContact O-CG 3.47Å; E252-R256 PolarHBondContact O-N 3.24Å; E252-R256 VanDerWaalsContact O-N 3.12Å; E252-R256 IonicContact OE1-CZ 2.72Å; E252-R256 IonicContact OE1-NH1 2.71Å; E252-R256 PolarHBondContact OE1-NH1 3.33Å; E252-R256 IonicContact OE1-NH2 2.66Å; E252-R256 PolarHBondContact OE1-NH2 2.79Å; E253-R256 PolarHBondContact O-N 2.83Å; E254-R256 VanDerWaalsContact C-N 3.31Å; E254-R256 PolarHBondContact O-N 2.69Å; R256-T260 WeakPolarHBondContact O-CB 3.43Å; R256-T260 PolarHBondContact O-N 3.36Å; R256-T260 PolarHBondContact O-OG1 2.98Å |
| 257 | K | 96.8 | Very high | 95.4 | Very high | 116 Ų | 116 | 94.6 Ų | 94.6 | 50% | 0.504 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 176.7 | -72.5 | 163.3 | -173.9 | 163.9 | 0 | 111.8 | E253 E254 T260 S261 | E253-K257 VanDerWaalsContact O-CG 3.31Å; E253-K257 WeakPolarHBondContact O-CG 3.47Å; E253-K257 PolarHBondContact O-N 2.88Å; E253-K257 WeakPolarHBondContact OE1-CE 3.45Å; E253-K257 IonicContact OE1-NZ 3.53Å; E253-K257 PolarHBondContact OE1-NZ 3.2Å; E254-K257 WeakPolarHBondContact O-CB 3.27Å; E254-K257 PolarHBondContact O-N 2.59Å; E254-K257 VanDerWaalsContact O-N 3.08Å; K257-T260 PolarHBondContact O-N 2.86Å; K257-S261 WeakPolarHBondContact O-CB 3.24Å; K257-S261 PolarHBondContact O-N 2.9Å |
| 258 | E | 95.3 | Very high | 95.5 | Very high | 119 Ų | 119 | 94.5 Ų | 94.5 | 56% | 0.556 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.8 | -52.8 | 176.7 | -175.9 | 168 | -149.1 | 0 | 0 | 111.4 | E254 K255 T260 S261 H262 | E254-E258 PolarHBondContact O-N 3.49Å; K255-E258 PolarHBondContact O-N 2.88Å; E258-T260 PolarHBondContact O-N 3.43Å; E258-S261 PolarHBondContact O-N 3.42Å; E258-H262 VanDerWaalsContact O-CB 3.3Å; E258-H262 WeakPolarHBondContact O-CB 3.34Å; E258-H262 PolarHBondContact O-N 3.47Å |
| 259 | V | 94.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 90.3 Ų | 90.3 | 35% | 0.352 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | Y97 K255 H262 F263 | Y97-V259 HydrophobicContact CD1-CG2 3.45Å; Y97-V259 VanDerWaalsContact CD1-CG2 3.45Å; Y97-V259 HydrophobicContact CD2-CG2 4.35Å; Y97-V259 HydrophobicContact CE1-CG2 3.53Å; Y97-V259 HydrophobicContact CE2-CG2 4.46Å; Y97-V259 HydrophobicContact CG-CG2 3.88Å; K255-V259 WeakPolarHBondContact O-CG2 3.41Å; K255-V259 PolarHBondContact O-N 3.28Å; V259-H262 PolarHBondContact O-N 2.92Å; V259-F263 WeakPolarHBondContact O-CB 3.27Å; V259-F263 PolarHBondContact O-N 3.23Å |
| 260 | T | 95.1 | Very high | 95.6 | Very high | 97 Ų | 97 | 87.4 Ų | 87.4 | 60% | 0.595 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | R256 K257 E258 H262 Q264 | R256-T260 WeakPolarHBondContact O-CB 3.43Å; R256-T260 PolarHBondContact O-N 3.36Å; R256-T260 PolarHBondContact O-OG1 2.98Å; K257-T260 PolarHBondContact O-N 2.86Å; E258-T260 PolarHBondContact O-N 3.43Å; T260-H262 VanDerWaalsContact C-N 3.35Å; T260-Q264 WeakPolarHBondContact O-CB 3.4Å; T260-Q264 PolarHBondContact O-N 2.77Å |
| 261 | S | 97 | Very high | 95.6 | Very high | 81 Ų | 81 | 86.2 Ų | 86.2 | 57% | 0.566 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.4 | -40.1 | 178.4 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | K257 E258 Q264 A265 | K257-S261 WeakPolarHBondContact O-CB 3.24Å; K257-S261 PolarHBondContact O-N 2.9Å; E258-S261 PolarHBondContact O-N 3.42Å; S261-Q264 PolarHBondContact O-N 3.24Å; S261-A265 VanDerWaalsContact O-CB 3.31Å; S261-A265 WeakPolarHBondContact O-CB 3.47Å; S261-A265 PolarHBondContact O-N 3.23Å |
| 262 | H | 96.1 | Very high | 95.7 | Very high | 71 Ų | 71 | 84.3 Ų | 84.3 | 33% | 0.329 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.1 | -42 | 179 | -179.4 | 36.8 | 0 | 0 | 0 | 112.5 | I93 Y97 E258 V259 T260 Q264 A265 T266 | I93-H262 WeakPolarHBondContact CG1-NE2 3.44Å; Y97-H262 AromaticContact CE2-CD2 3.81Å; E258-H262 VanDerWaalsContact O-CB 3.3Å; E258-H262 WeakPolarHBondContact O-CB 3.34Å; E258-H262 PolarHBondContact O-N 3.47Å; V259-H262 PolarHBondContact O-N 2.92Å; T260-H262 VanDerWaalsContact C-N 3.35Å; H262-Q264 VanDerWaalsContact C-N 3.34Å; H262-Q264 PolarHBondContact O-N 3.08Å; H262-A265 PolarHBondContact O-N 2.93Å; H262-T266 WeakPolarHBondContact O-CB 3.42Å; H262-T266 PolarHBondContact O-N 2.9Å; H262-T266 PolarHBondContact O-OG1 2.84Å |
| 263 | F | 95.4 | Very high | 95.8 | Very high | 110 Ų | 110 | 82.9 Ų | 82.9 | 48% | 0.482 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 173.2 | -175.1 | -106.5 | 0 | 0 | 0 | 111.7 | V259 T266 L267 | V259-F263 WeakPolarHBondContact O-CB 3.27Å; V259-F263 PolarHBondContact O-N 3.23Å; F263-T266 PolarHBondContact O-N 2.84Å; F263-L267 HydrophobicContact CD1-CD1 3.92Å; F263-L267 HydrophobicContact CD1-CG 4.45Å; F263-L267 HydrophobicContact CE1-CD1 3.51Å; F263-L267 HydrophobicContact CE1-CG 4.15Å; F263-L267 HydrophobicContact CZ-CD1 4.04Å; F263-L267 HydrophobicContact CZ-CD2 4.48Å; F263-L267 HydrophobicContact CZ-CG 4.28Å; F263-L267 WeakPolarHBondContact O-CG 3.37Å; F263-L267 PolarHBondContact O-N 3.23Å |
| 264 | Q | 97.3 | Very high | 95.8 | Very high | 100 Ų | 100 | 83.8 Ų | 83.8 | 47% | 0.467 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 175.4 | -173 | 62.5 | 68.3 | 0 | 0 | 112.6 | T260 S261 H262 L267 N268 | T260-Q264 WeakPolarHBondContact O-CB 3.4Å; T260-Q264 PolarHBondContact O-N 2.77Å; S261-Q264 PolarHBondContact O-N 3.24Å; H262-Q264 VanDerWaalsContact C-N 3.34Å; H262-Q264 PolarHBondContact O-N 3.08Å; Q264-L267 PolarHBondContact O-N 3.39Å; Q264-N268 PolarHBondContact NE2-OD1 3.06Å; Q264-N268 PolarHBondContact O-N 3.07Å; Q264-N268 PolarHBondContact O-ND2 3.11Å; Q264-N268 PolarHBondContact O-OD1 3.21Å; Q264-N268 VanDerWaalsContact O-OD1 3.14Å |
| 265 | A | 96.1 | Very high | 95.9 | Very high | 41 Ų | 41 | 83.8 Ų | 83.8 | 34% | 0.339 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61 | -49.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S261 H262 L267 N268 D269 | S261-A265 VanDerWaalsContact O-CB 3.31Å; S261-A265 WeakPolarHBondContact O-CB 3.47Å; S261-A265 PolarHBondContact O-N 3.23Å; H262-A265 PolarHBondContact O-N 2.93Å; A265-L267 PolarHBondContact O-N 3.01Å; A265-N268 WeakPolarHBondContact O-CB 3.28Å; A265-N268 PolarHBondContact O-N 2.99Å; A265-N268 VanDerWaalsContact O-N 3.08Å; A265-D269 PolarHBondContact O-N 3.14Å |
| 266 | T | 95.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 83.7 Ų | 83.7 | 7% | 0.074 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -55.1 | -50.6 | 176 | -52.5 | 0 | 0 | 0 | 0 | 110.7 | L90 I93 H262 F263 N268 D269 I270 | L90-T266 HydrophobicContact CD2-CG2 4.29Å; I93-T266 HydrophobicContact CD1-CG2 3.84Å; I93-T266 WeakPolarHBondContact CD1-OG1 3.46Å; H262-T266 WeakPolarHBondContact O-CB 3.42Å; H262-T266 PolarHBondContact O-N 2.9Å; H262-T266 PolarHBondContact O-OG1 2.84Å; F263-T266 PolarHBondContact O-N 2.84Å; T266-N268 VanDerWaalsContact C-N 3.31Å; T266-N268 PolarHBondContact O-N 2.94Å; T266-D269 CarbonylContact O-C 3.6Å; T266-D269 WeakPolarHBondContact O-CA 3.28Å; T266-D269 WeakPolarHBondContact O-CB 3.34Å; T266-D269 PolarHBondContact O-N 2.92Å; T266-I270 WeakPolarHBondContact O-CG1 3.45Å; T266-I270 PolarHBondContact O-N 3.16Å |
| 267 | L | 95.1 | Very high | 95.9 | Very high | 69 Ų | 69 | 79.2 Ų | 79.2 | 36% | 0.361 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.1 | -41.5 | 176.4 | -78.2 | 178.3 | 0 | 0 | 0 | 113.2 | F263 Q264 A265 D269 I270 Q271 | F263-L267 HydrophobicContact CD1-CD1 3.92Å; F263-L267 HydrophobicContact CD1-CG 4.45Å; F263-L267 HydrophobicContact CE1-CD1 3.51Å; F263-L267 HydrophobicContact CE1-CG 4.15Å; F263-L267 HydrophobicContact CZ-CD1 4.04Å; F263-L267 HydrophobicContact CZ-CD2 4.48Å; F263-L267 HydrophobicContact CZ-CG 4.28Å; F263-L267 WeakPolarHBondContact O-CG 3.37Å; F263-L267 PolarHBondContact O-N 3.23Å; Q264-L267 PolarHBondContact O-N 3.39Å; A265-L267 PolarHBondContact O-N 3.01Å; L267-D269 VanDerWaalsContact C-N 3.33Å; L267-I270 HydrophobicContact CD2-CD1 4.36Å; L267-I270 PolarHBondContact O-N 3.47Å; L267-Q271 PolarHBondContact O-N 2.9Å |
| 268 | N | 97 | Very high | 95.8 | Very high | 82 Ų | 82 | 78.2 Ų | 78.2 | 44% | 0.439 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 176 | -62.3 | -10.9 | 0 | 0 | 0 | 111.2 | Q264 A265 T266 Q271 A272 | Q264-N268 PolarHBondContact NE2-OD1 3.06Å; Q264-N268 PolarHBondContact O-N 3.07Å; Q264-N268 PolarHBondContact O-ND2 3.11Å; Q264-N268 PolarHBondContact O-OD1 3.21Å; Q264-N268 VanDerWaalsContact O-OD1 3.14Å; A265-N268 WeakPolarHBondContact O-CB 3.28Å; A265-N268 PolarHBondContact O-N 2.99Å; A265-N268 VanDerWaalsContact O-N 3.08Å; T266-N268 VanDerWaalsContact C-N 3.31Å; T266-N268 PolarHBondContact O-N 2.94Å; N268-Q271 PolarHBondContact O-N 2.84Å; N268-A272 WeakPolarHBondContact O-CB 3.45Å; N268-A272 PolarHBondContact O-N 2.82Å |
| 269 | D | 95.9 | Very high | 95.9 | Very high | 95 Ų | 95 | 79 Ų | 79 | 51% | 0.508 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 176.1 | -64.6 | -33 | 0 | 0 | 0 | 111.8 | A265 T266 L267 Q273 | A265-D269 PolarHBondContact O-N 3.14Å; T266-D269 CarbonylContact O-C 3.6Å; T266-D269 WeakPolarHBondContact O-CA 3.28Å; T266-D269 WeakPolarHBondContact O-CB 3.34Å; T266-D269 PolarHBondContact O-N 2.92Å; L267-D269 VanDerWaalsContact C-N 3.33Å; D269-Q273 WeakPolarHBondContact O-CB 3.4Å; D269-Q273 VanDerWaalsContact O-CG 3.3Å; D269-Q273 WeakPolarHBondContact O-CG 3.36Å; D269-Q273 PolarHBondContact O-N 3.31Å |
| 270 | I | 95.8 | Very high | 96.1 | Very high | 27 Ų | 27 | 82.7 Ų | 82.7 | 14% | 0.138 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.2 | -50.1 | 170.3 | -44.8 | -161.8 | 0 | 0 | 0 | 109.8 | L86 T266 L267 A272 Q273 M274 | L86-I270 HydrophobicContact CD1-CB 4.24Å; L86-I270 HydrophobicContact CD1-CD1 3.66Å; L86-I270 HydrophobicContact CD1-CG1 3.64Å; L86-I270 HydrophobicContact CD1-CG2 4.02Å; L86-I270 HydrophobicContact CD2-CD1 4.24Å; L86-I270 HydrophobicContact CD2-CG2 3.75Å; L86-I270 HydrophobicContact CG-CD1 4.17Å; L86-I270 HydrophobicContact CG-CG2 4.49Å; T266-I270 WeakPolarHBondContact O-CG1 3.45Å; T266-I270 PolarHBondContact O-N 3.16Å; L267-I270 HydrophobicContact CD2-CD1 4.36Å; L267-I270 PolarHBondContact O-N 3.47Å; I270-A272 PolarHBondContact O-N 3.42Å; I270-Q273 PolarHBondContact O-N 3.02Å; I270-M274 HydrophobicContact CG2-SD 4.33Å; I270-M274 WeakPolarHBondContact O-CG 3.28Å; I270-M274 PolarHBondContact O-N 2.9Å |
| 271 | Q | 95.4 | Very high | 96.2 | Very high | 108 Ų | 108 | 80.2 Ų | 80.2 | 51% | 0.505 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | -178.4 | -178.1 | 175.4 | -24 | 0 | 0 | 111.2 | L267 N268 Q273 M274 E275 | L267-Q271 PolarHBondContact O-N 2.9Å; N268-Q271 PolarHBondContact O-N 2.84Å; Q271-Q273 VanDerWaalsContact C-N 3.32Å; Q271-Q273 PolarHBondContact O-N 3.44Å; Q271-M274 PolarHBondContact O-N 3.23Å; Q271-M274 VanDerWaalsContact O-N 3.17Å; Q271-E275 HydrophobicContact CG-CG 4.39Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.5Å; Q271-E275 PolarHBondContact NE2-OE1 3.45Å; Q271-E275 WeakPolarHBondContact O-CB 3.42Å; Q271-E275 WeakPolarHBondContact O-CG 3.21Å; Q271-E275 PolarHBondContact O-N 2.94Å |
| 272 | A | 97.1 | Very high | 96.2 | Very high | 51 Ų | 51 | 79 Ų | 79 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N268 I270 Q276 | N268-A272 WeakPolarHBondContact O-CB 3.45Å; N268-A272 PolarHBondContact O-N 2.82Å; I270-A272 PolarHBondContact O-N 3.42Å; A272-Q276 WeakPolarHBondContact O-CB 3.3Å; A272-Q276 PolarHBondContact O-N 3.08Å |
| 273 | Q | 95.7 | Very high | 96.3 | Very high | 60 Ų | 60 | 78.2 Ų | 78.2 | 28% | 0.28 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 173.4 | -74.9 | -179.5 | 55.4 | 0 | 0 | 112.5 | M82 D269 I270 Q271 H277 | M82-Q273 HydrophobicContact CE-CB 4.24Å; D269-Q273 WeakPolarHBondContact O-CB 3.4Å; D269-Q273 VanDerWaalsContact O-CG 3.3Å; D269-Q273 WeakPolarHBondContact O-CG 3.36Å; D269-Q273 PolarHBondContact O-N 3.31Å; I270-Q273 PolarHBondContact O-N 3.02Å; Q271-Q273 VanDerWaalsContact C-N 3.32Å; Q271-Q273 PolarHBondContact O-N 3.44Å; Q273-H277 VanDerWaalsContact O-CB 3.29Å; Q273-H277 WeakPolarHBondContact O-CB 3.33Å; Q273-H277 PolarHBondContact O-N 2.96Å |
| 274 | M | 94.1 | Very high | 96.4 | Very high | 118 Ų | 118 | 77.3 Ų | 77.3 | 58% | 0.581 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.7 | -43.7 | 175.3 | -72.9 | -177.1 | 66.7 | 0 | 0 | 112.1 | I270 Q271 H277 N278 | I270-M274 HydrophobicContact CG2-SD 4.33Å; I270-M274 WeakPolarHBondContact O-CG 3.28Å; I270-M274 PolarHBondContact O-N 2.9Å; Q271-M274 PolarHBondContact O-N 3.23Å; Q271-M274 VanDerWaalsContact O-N 3.17Å; M274-H277 PolarHBondContact O-N 3.45Å; M274-N278 WeakPolarHBondContact O-CB 3.3Å; M274-N278 PolarHBondContact O-N 2.88Å; M274-N278 PolarHBondContact O-ND2 2.86Å |
| 275 | E | 96.4 | Very high | 96.4 | Very high | 101 Ų | 101 | 80 Ų | 80 | 47% | 0.472 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62 | -50.3 | 175.6 | -73.2 | 172.4 | -175.9 | 0 | 0 | 110.5 | Q271 H277 N278 E279 | Q271-E275 HydrophobicContact CG-CG 4.39Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.5Å; Q271-E275 PolarHBondContact NE2-OE1 3.45Å; Q271-E275 WeakPolarHBondContact O-CB 3.42Å; Q271-E275 WeakPolarHBondContact O-CG 3.21Å; Q271-E275 PolarHBondContact O-N 2.94Å; E275-H277 VanDerWaalsContact C-N 3.33Å; E275-H277 PolarHBondContact O-N 3.3Å; E275-N278 CarbonylContact O-C 3.57Å; E275-N278 WeakPolarHBondContact O-CA 3.18Å; E275-N278 WeakPolarHBondContact O-CB 3.1Å; E275-N278 PolarHBondContact O-N 3.3Å; E275-E279 WeakPolarHBondContact O-CG 3.44Å; E275-E279 PolarHBondContact O-N 3.42Å |
| 276 | Q | 96.5 | Very high | 96.5 | Very high | 94 Ų | 94 | 83.8 Ų | 83.8 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65 | -31.9 | 178 | -162.1 | -165.5 | 66.1 | 0 | 0 | 113.2 | A272 R280 | A272-Q276 WeakPolarHBondContact O-CB 3.3Å; A272-Q276 PolarHBondContact O-N 3.08Å; Q276-R280 WeakPolarHBondContact O-CG 3.4Å; Q276-R280 PolarHBondContact O-N 3.2Å; Q276-R280 VanDerWaalsContact O-N 3.11Å; Q276-R280 PolarHBondContact O-NH1 2.67Å |
| 277 | H | 96.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 87.3 Ų | 87.3 | 25% | 0.25 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 169.6 | 169.9 | -85.1 | 0 | 0 | 0 | 110.6 | Q79 Q273 M274 E275 E279 R280 N281 | Q79-H277 PolarHBondContact NE2-CE1 3.27Å; Q79-H277 PolarHBondContact NE2-NE2 3.31Å; Q273-H277 VanDerWaalsContact O-CB 3.29Å; Q273-H277 WeakPolarHBondContact O-CB 3.33Å; Q273-H277 PolarHBondContact O-N 2.96Å; M274-H277 PolarHBondContact O-N 3.45Å; E275-H277 VanDerWaalsContact C-N 3.33Å; E275-H277 PolarHBondContact O-N 3.3Å; H277-E279 PolarHBondContact O-N 3Å; H277-R280 PolarHBondContact O-N 3.47Å; H277-N281 WeakPolarHBondContact O-CB 3.47Å; H277-N281 PolarHBondContact O-N 2.72Å |
| 278 | N | 95.9 | Very high | 96.8 | Very high | 95 Ų | 95 | 89 Ų | 89 | 51% | 0.508 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 178.8 | -70.7 | -23.7 | 0 | 0 | 0 | 112.3 | M274 E275 N281 A282 | M274-N278 WeakPolarHBondContact O-CB 3.3Å; M274-N278 PolarHBondContact O-N 2.88Å; M274-N278 PolarHBondContact O-ND2 2.86Å; E275-N278 CarbonylContact O-C 3.57Å; E275-N278 WeakPolarHBondContact O-CA 3.18Å; E275-N278 WeakPolarHBondContact O-CB 3.1Å; E275-N278 PolarHBondContact O-N 3.3Å; N278-N281 CarbonylContact O-C 3.58Å; N278-N281 PolarHBondContact O-N 3.49Å; N278-A282 WeakPolarHBondContact O-CB 3.4Å; N278-A282 PolarHBondContact O-N 2.94Å |
| 279 | E | 97.5 | Very high | 96.8 | Very high | 135 Ų | 135 | 88 Ų | 88 | 63% | 0.631 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.9 | -50.2 | 172.7 | -72.8 | -177.2 | 156.6 | 0 | 0 | 112.2 | E275 H277 N281 A282 S283 | E275-E279 WeakPolarHBondContact O-CG 3.44Å; E275-E279 PolarHBondContact O-N 3.42Å; H277-E279 PolarHBondContact O-N 3Å; E279-N281 VanDerWaalsContact C-N 3.28Å; E279-N281 PolarHBondContact O-N 2.87Å; E279-A282 WeakPolarHBondContact O-CB 3.26Å; E279-A282 PolarHBondContact O-N 3.19Å; E279-A282 VanDerWaalsContact O-N 3.14Å; E279-S283 PolarHBondContact O-N 3.31Å |
| 280 | R | 97 | Very high | 96.9 | Very high | 135 Ų | 135 | 86.9 Ų | 86.9 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.9 | -43.7 | 173.2 | -73.2 | -175.5 | -169.5 | 94.6 | -6.7 | 111.5 | Q276 H277 A282 S283 L284 | Q276-R280 WeakPolarHBondContact O-CG 3.4Å; Q276-R280 PolarHBondContact O-N 3.2Å; Q276-R280 VanDerWaalsContact O-N 3.11Å; Q276-R280 PolarHBondContact O-NH1 2.67Å; H277-R280 PolarHBondContact O-N 3.47Å; R280-A282 VanDerWaalsContact C-N 3.28Å; R280-A282 PolarHBondContact O-N 2.67Å; R280-S283 PolarHBondContact O-N 2.98Å; R280-L284 WeakPolarHBondContact O-CB 3.1Å; R280-L284 WeakPolarHBondContact O-CG 3.45Å; R280-L284 PolarHBondContact O-N 3.49Å |
| 281 | N | 97.4 | Very high | 97.1 | Very high | 45 Ų | 45 | 90.2 Ų | 90.2 | 24% | 0.241 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -69.5 | -25.8 | -179 | -162 | -110.2 | 0 | 0 | 0 | 112.1 | H277 N278 E279 R285 | H277-N281 WeakPolarHBondContact O-CB 3.47Å; H277-N281 PolarHBondContact O-N 2.72Å; N278-N281 CarbonylContact O-C 3.58Å; N278-N281 PolarHBondContact O-N 3.49Å; E279-N281 VanDerWaalsContact C-N 3.28Å; E279-N281 PolarHBondContact O-N 2.87Å; N281-R285 WeakPolarHBondContact O-CG 3.48Å; N281-R285 PolarHBondContact O-N 2.9Å; N281-R285 PolarHBondContact O-NH1 3.01Å; N281-R285 PolarHBondContact OD1-NH1 3.34Å; N281-R285 PolarHBondContact OD1-NH2 2.84Å |
| 282 | A | 97.7 | Very high | 97.2 | Very high | 55 Ų | 55 | 87.8 Ų | 87.8 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -75.1 | -46.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N278 E279 R280 L284 R285 Q286 | N278-A282 WeakPolarHBondContact O-CB 3.4Å; N278-A282 PolarHBondContact O-N 2.94Å; E279-A282 WeakPolarHBondContact O-CB 3.26Å; E279-A282 PolarHBondContact O-N 3.19Å; E279-A282 VanDerWaalsContact O-N 3.14Å; R280-A282 VanDerWaalsContact C-N 3.28Å; R280-A282 PolarHBondContact O-N 2.67Å; A282-L284 VanDerWaalsContact C-N 3.35Å; A282-L284 PolarHBondContact O-N 2.9Å; A282-R285 WeakPolarHBondContact O-CB 3.13Å; A282-R285 PolarHBondContact O-N 3.03Å; A282-Q286 PolarHBondContact O-N 3.41Å |
| 283 | S | 98 | Very high | 97.3 | Very high | 56 Ų | 56 | 89.9 Ų | 89.9 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -54.7 | -49.9 | 174.8 | -165.7 | 0 | 0 | 0 | 0 | 111.1 | E279 R280 R285 Q286 E287 | E279-S283 PolarHBondContact O-N 3.31Å; R280-S283 PolarHBondContact O-N 2.98Å; S283-R285 VanDerWaalsContact C-N 3.26Å; S283-R285 PolarHBondContact O-N 2.86Å; S283-Q286 CarbonylContact O-C 3.58Å; S283-Q286 WeakPolarHBondContact O-CA 3.42Å; S283-Q286 WeakPolarHBondContact O-CB 3.38Å; S283-Q286 PolarHBondContact O-N 3.37Å; S283-E287 VanDerWaalsContact C-OE1 3.28Å; S283-E287 WeakPolarHBondContact CB-OE1 3.44Å; S283-E287 WeakPolarHBondContact O-CG 2.83Å; S283-E287 PolarHBondContact O-N 3.31Å; S283-E287 PolarHBondContact OG-OE1 2.9Å |
| 284 | L | 97.9 | Very high | 97.4 | Very high | 90 Ų | 90 | 92 Ų | 92 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.6 | -32 | 177 | -71.1 | 171.4 | 0 | 0 | 0 | 113.1 | R280 A282 N288 | R280-L284 WeakPolarHBondContact O-CB 3.1Å; R280-L284 WeakPolarHBondContact O-CG 3.45Å; R280-L284 PolarHBondContact O-N 3.49Å; A282-L284 VanDerWaalsContact C-N 3.35Å; A282-L284 PolarHBondContact O-N 2.9Å; L284-N288 WeakPolarHBondContact O-CB 3.32Å; L284-N288 PolarHBondContact O-N 2.66Å; L284-N288 VanDerWaalsContact O-N 3.12Å; L284-N288 PolarHBondContact O-ND2 2.71Å |
| 285 | R | 97.4 | Very high | 97.6 | Very high | 158 Ų | 158 | 92.1 Ų | 92.1 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.8 | -41.3 | 172.2 | -76.1 | -172.6 | -166.1 | 80.8 | 0.2 | 112.1 | N281 A282 S283 A289 | N281-R285 WeakPolarHBondContact O-CG 3.48Å; N281-R285 PolarHBondContact O-N 2.9Å; N281-R285 PolarHBondContact O-NH1 3.01Å; N281-R285 PolarHBondContact OD1-NH1 3.34Å; N281-R285 PolarHBondContact OD1-NH2 2.84Å; A282-R285 WeakPolarHBondContact O-CB 3.13Å; A282-R285 PolarHBondContact O-N 3.03Å; S283-R285 VanDerWaalsContact C-N 3.26Å; S283-R285 PolarHBondContact O-N 2.86Å; R285-A289 WeakPolarHBondContact O-CB 3.23Å; R285-A289 PolarHBondContact O-N 3.39Å |
| 286 | Q | 98.1 | Very high | 97.7 | Very high | 120 Ų | 120 | 93.3 Ų | 93.3 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.1 | -48.9 | 175.2 | -178.6 | -176.2 | -37.2 | 0 | 0 | 110.9 | A282 S283 N288 A289 E290 | A282-Q286 PolarHBondContact O-N 3.41Å; S283-Q286 CarbonylContact O-C 3.58Å; S283-Q286 WeakPolarHBondContact O-CA 3.42Å; S283-Q286 WeakPolarHBondContact O-CB 3.38Å; S283-Q286 PolarHBondContact O-N 3.37Å; Q286-N288 VanDerWaalsContact C-N 3.34Å; Q286-N288 PolarHBondContact O-N 2.93Å; Q286-A289 WeakPolarHBondContact O-CB 3.37Å; Q286-A289 PolarHBondContact O-N 3.49Å; Q286-A289 VanDerWaalsContact O-N 3.08Å; Q286-E290 HydrophobicContact CG-CG 4.43Å; Q286-E290 PolarHBondContact NE2-OE1 2.92Å; Q286-E290 PolarHBondContact O-N 2.9Å |
| 287 | E | 97.6 | Very high | 97.8 | Very high | 86 Ų | 86 | 93.4 Ų | 93.4 | 40% | 0.402 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 179.2 | -70.4 | 165.6 | -117.6 | 0 | 0 | 111.6 | S283 E290 L291 | S283-E287 VanDerWaalsContact C-OE1 3.28Å; S283-E287 WeakPolarHBondContact CB-OE1 3.44Å; S283-E287 WeakPolarHBondContact O-CG 2.83Å; S283-E287 PolarHBondContact O-N 3.31Å; S283-E287 PolarHBondContact OG-OE1 2.9Å; E287-E290 PolarHBondContact O-N 3.4Å; E287-L291 WeakPolarHBondContact O-CB 3.39Å; E287-L291 VanDerWaalsContact O-CG 3.23Å; E287-L291 WeakPolarHBondContact O-CG 3.36Å; E287-L291 PolarHBondContact O-N 2.92Å |
| 288 | N | 98 | Very high | 97.9 | Very high | 104 Ų | 104 | 94.8 Ų | 94.8 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 173.7 | -84.9 | -72.6 | 0 | 0 | 0 | 112.7 | L284 Q286 L291 A292 | L284-N288 WeakPolarHBondContact O-CB 3.32Å; L284-N288 PolarHBondContact O-N 2.66Å; L284-N288 VanDerWaalsContact O-N 3.12Å; L284-N288 PolarHBondContact O-ND2 2.71Å; Q286-N288 VanDerWaalsContact C-N 3.34Å; Q286-N288 PolarHBondContact O-N 2.93Å; N288-L291 PolarHBondContact O-N 2.63Å; N288-A292 WeakPolarHBondContact O-CB 3.36Å; N288-A292 PolarHBondContact O-N 3.2Å |
| 289 | A | 98.1 | Very high | 98 | Very high | 62 Ų | 62 | 98.2 Ų | 98.2 | 51% | 0.512 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | R285 Q286 A292 E293 | R285-A289 WeakPolarHBondContact O-CB 3.23Å; R285-A289 PolarHBondContact O-N 3.39Å; Q286-A289 WeakPolarHBondContact O-CB 3.37Å; Q286-A289 PolarHBondContact O-N 3.49Å; Q286-A289 VanDerWaalsContact O-N 3.08Å; A289-A292 PolarHBondContact O-N 3.43Å; A289-E293 WeakPolarHBondContact O-CB 3.37Å; A289-E293 PolarHBondContact O-N 3.34Å |
| 290 | E | 98.3 | Very high | 98.1 | Very high | 70 Ų | 70 | 96.4 Ų | 96.4 | 33% | 0.327 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 173.6 | -74.4 | -173.2 | -147.9 | 0 | 0 | 112.4 | Q286 E287 E293 K294 | Q286-E290 HydrophobicContact CG-CG 4.43Å; Q286-E290 PolarHBondContact NE2-OE1 2.92Å; Q286-E290 PolarHBondContact O-N 2.9Å; E287-E290 PolarHBondContact O-N 3.4Å; E290-E293 PolarHBondContact O-N 2.82Å; E290-K294 WeakPolarHBondContact O-CB 3.44Å; E290-K294 VanDerWaalsContact O-CD 3.26Å; E290-K294 WeakPolarHBondContact O-CD 3.49Å; E290-K294 WeakPolarHBondContact O-CG 3.38Å; E290-K294 PolarHBondContact O-N 3.12Å; E290-K294 IonicContact OE2-NZ 3.52Å; E290-K294 PolarHBondContact OE2-NZ 3Å |
| 291 | L | 98.5 | Very high | 98.1 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 175.6 | -74.8 | 169.4 | 0 | 0 | 0 | 111.3 | E287 N288 E293 K294 L295 | E287-L291 WeakPolarHBondContact O-CB 3.39Å; E287-L291 VanDerWaalsContact O-CG 3.23Å; E287-L291 WeakPolarHBondContact O-CG 3.36Å; E287-L291 PolarHBondContact O-N 2.92Å; N288-L291 PolarHBondContact O-N 2.63Å; L291-E293 VanDerWaalsContact C-N 3.33Å; L291-E293 PolarHBondContact O-N 2.8Å; L291-K294 PolarHBondContact O-N 3.42Å; L291-L295 WeakPolarHBondContact O-CB 3.46Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 2.98Å |
| 292 | A | 98.4 | Very high | 98.2 | Very high | 57 Ų | 57 | 101.3 Ų | 101.3 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N288 A289 L295 K296 | N288-A292 WeakPolarHBondContact O-CB 3.36Å; N288-A292 PolarHBondContact O-N 3.2Å; A289-A292 PolarHBondContact O-N 3.43Å; A292-L295 PolarHBondContact O-N 3.08Å; A292-K296 WeakPolarHBondContact O-CB 3.49Å; A292-K296 PolarHBondContact O-N 3.04Å |
| 293 | E | 98.4 | Very high | 98.2 | Very high | 95 Ų | 95 | 103.5 Ų | 103.5 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 175.6 | -156.8 | -144.9 | -172 | 0 | 0 | 112.2 | A289 E290 L291 K296 K297 | A289-E293 WeakPolarHBondContact O-CB 3.37Å; A289-E293 PolarHBondContact O-N 3.34Å; E290-E293 PolarHBondContact O-N 2.82Å; L291-E293 VanDerWaalsContact C-N 3.33Å; L291-E293 PolarHBondContact O-N 2.8Å; E293-K296 PolarHBondContact O-N 3.39Å; E293-K297 HydrophobicContact CG-CD 4.49Å; E293-K297 WeakPolarHBondContact O-CB 3.47Å; E293-K297 WeakPolarHBondContact O-CG 3.49Å; E293-K297 PolarHBondContact O-N 2.77Å; E293-K297 WeakPolarHBondContact OE1-CE 3.42Å; E293-K297 IonicContact OE1-NZ 3.42Å; E293-K297 PolarHBondContact OE1-NZ 2.97Å; E293-K297 IonicContact OE2-NZ 2.59Å; E293-K297 PolarHBondContact OE2-NZ 3.1Å |
| 294 | K | 98.5 | Very high | 98.3 | Very high | 105 Ų | 105 | 106.3 Ų | 106.3 | 46% | 0.457 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 174 | -70.7 | 156.8 | -165.6 | 164.2 | 0 | 111.1 | E290 L291 L298 | E290-K294 WeakPolarHBondContact O-CB 3.44Å; E290-K294 VanDerWaalsContact O-CD 3.26Å; E290-K294 WeakPolarHBondContact O-CD 3.49Å; E290-K294 WeakPolarHBondContact O-CG 3.38Å; E290-K294 PolarHBondContact O-N 3.12Å; E290-K294 IonicContact OE2-NZ 3.52Å; E290-K294 PolarHBondContact OE2-NZ 3Å; L291-K294 PolarHBondContact O-N 3.42Å; K294-L298 WeakPolarHBondContact O-CB 3.33Å; K294-L298 PolarHBondContact O-N 2.92Å |
| 295 | L | 98.4 | Very high | 98.3 | Very high | 120 Ų | 120 | 110.1 Ų | 110.1 | 63% | 0.628 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.1 | -45 | 172.7 | -82.9 | 160.6 | 0 | 0 | 0 | 112.3 | L291 A292 L298 Y299 | L291-L295 WeakPolarHBondContact O-CB 3.46Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 2.98Å; A292-L295 PolarHBondContact O-N 3.08Å; L295-L298 PolarHBondContact O-N 2.81Å; L295-Y299 PolarHBondContact O-N 3.48Å |
| 296 | K | 98.5 | Very high | 98.3 | Very high | 126 Ų | 126 | 108.8 Ų | 108.8 | 55% | 0.548 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 176.1 | 178.2 | 179.5 | 169.2 | -178.2 | 0 | 111.7 | A292 E293 L298 Y299 E300 | A292-K296 WeakPolarHBondContact O-CB 3.49Å; A292-K296 PolarHBondContact O-N 3.04Å; E293-K296 PolarHBondContact O-N 3.39Å; K296-L298 VanDerWaalsContact C-N 3.29Å; K296-L298 PolarHBondContact O-N 3.3Å; K296-Y299 PolarHBondContact O-N 3.38Å; K296-E300 WeakPolarHBondContact CE-OE1 3.2Å; K296-E300 HydrophobicContact CG-CG 4.5Å; K296-E300 IonicContact NZ-OE1 3.22Å; K296-E300 WeakPolarHBondContact O-CG 3.41Å; K296-E300 PolarHBondContact O-N 3.11Å |
| 297 | K | 98.4 | Very high | 98.3 | Very high | 96 Ų | 96 | 106.5 Ų | 106.5 | 42% | 0.417 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 176.4 | -74.9 | 167.5 | 177.9 | 168.8 | 0 | 111.9 | E293 E300 Q301 | E293-K297 HydrophobicContact CG-CD 4.49Å; E293-K297 WeakPolarHBondContact O-CB 3.47Å; E293-K297 WeakPolarHBondContact O-CG 3.49Å; E293-K297 PolarHBondContact O-N 2.77Å; E293-K297 WeakPolarHBondContact OE1-CE 3.42Å; E293-K297 IonicContact OE1-NZ 3.42Å; E293-K297 PolarHBondContact OE1-NZ 2.97Å; E293-K297 IonicContact OE2-NZ 2.59Å; E293-K297 PolarHBondContact OE2-NZ 3.1Å; K297-E300 PolarHBondContact O-N 2.88Å; K297-Q301 VanDerWaalsContact O-CG 3.3Å; K297-Q301 WeakPolarHBondContact O-CG 3.37Å; K297-Q301 PolarHBondContact O-N 3.43Å |
| 298 | L | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 108 Ų | 108 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 176.2 | -174.4 | 62.1 | 0 | 0 | 0 | 111.7 | K294 L295 K296 Q301 Y302 | K294-L298 WeakPolarHBondContact O-CB 3.33Å; K294-L298 PolarHBondContact O-N 2.92Å; L295-L298 PolarHBondContact O-N 2.81Å; K296-L298 VanDerWaalsContact C-N 3.29Å; K296-L298 PolarHBondContact O-N 3.3Å; L298-Q301 PolarHBondContact O-N 3.36Å; L298-Y302 HydrophobicContact CD1-CD2 4.04Å; L298-Y302 HydrophobicContact CD1-CE2 3.71Å; L298-Y302 HydrophobicContact CD2-CE2 4.4Å; L298-Y302 HydrophobicContact CG-CD2 3.96Å; L298-Y302 HydrophobicContact CG-CE2 3.85Å; L298-Y302 VanDerWaalsContact O-CD2 3.3Å; L298-Y302 WeakPolarHBondContact O-CD2 3.17Å; L298-Y302 PolarHBondContact O-N 3.34Å |
| 299 | Y | 98.3 | Very high | 98.4 | Very high | 167 Ų | 167 | 107 Ų | 107 | 66% | 0.655 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.7 | -44.4 | 174.9 | 177.4 | -95.9 | 0 | 0 | 0 | 112.2 | L295 K296 Q301 Y302 K303 | L295-Y299 PolarHBondContact O-N 3.48Å; K296-Y299 PolarHBondContact O-N 3.38Å; Y299-Q301 VanDerWaalsContact C-N 3.34Å; Y299-Q301 PolarHBondContact O-N 2.85Å; Y299-Y302 PolarHBondContact O-N 3.42Å; Y299-K303 PolarHBondContact O-N 3.47Å |
| 300 | E | 98.6 | Very high | 98.4 | Very high | 97 Ų | 97 | 107.8 Ų | 107.8 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 176.3 | -71.8 | 169.8 | 166.4 | 0 | 0 | 112 | K296 K297 L304 | K296-E300 WeakPolarHBondContact CE-OE1 3.2Å; K296-E300 HydrophobicContact CG-CG 4.5Å; K296-E300 IonicContact NZ-OE1 3.22Å; K296-E300 WeakPolarHBondContact O-CG 3.41Å; K296-E300 PolarHBondContact O-N 3.11Å; K297-E300 PolarHBondContact O-N 2.88Å; E300-L304 WeakPolarHBondContact O-CB 3.47Å; E300-L304 PolarHBondContact O-N 3.36Å |
| 301 | Q | 98.3 | Very high | 98.4 | Very high | 130 Ų | 130 | 110.3 Ų | 110.3 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | 172.4 | -74.5 | 175.3 | 9.9 | 0 | 0 | 112.9 | K297 L298 Y299 L304 R305 | K297-Q301 VanDerWaalsContact O-CG 3.3Å; K297-Q301 WeakPolarHBondContact O-CG 3.37Å; K297-Q301 PolarHBondContact O-N 3.43Å; L298-Q301 PolarHBondContact O-N 3.36Å; Y299-Q301 VanDerWaalsContact C-N 3.34Å; Y299-Q301 PolarHBondContact O-N 2.85Å; Q301-L304 PolarHBondContact O-N 2.86Å; Q301-R305 WeakPolarHBondContact O-CB 3.5Å; Q301-R305 PolarHBondContact O-N 3.36Å |
| 302 | Y | 98.6 | Very high | 98.4 | Very high | 154 Ų | 154 | 108.9 Ų | 108.9 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -45.5 | 175.2 | -89.4 | -72 | 0 | 0 | 0 | 111.7 | L298 Y299 L304 R305 E306 | L298-Y302 HydrophobicContact CD1-CD2 4.04Å; L298-Y302 HydrophobicContact CD1-CE2 3.71Å; L298-Y302 HydrophobicContact CD2-CE2 4.4Å; L298-Y302 HydrophobicContact CG-CD2 3.96Å; L298-Y302 HydrophobicContact CG-CE2 3.85Å; L298-Y302 VanDerWaalsContact O-CD2 3.3Å; L298-Y302 WeakPolarHBondContact O-CD2 3.17Å; L298-Y302 PolarHBondContact O-N 3.34Å; Y299-Y302 PolarHBondContact O-N 3.42Å; Y302-L304 PolarHBondContact O-N 3.3Å; Y302-R305 WeakPolarHBondContact O-CB 3.48Å; Y302-R305 PolarHBondContact O-N 2.85Å; Y302-E306 WeakPolarHBondContact O-CB 3.37Å; Y302-E306 PolarHBondContact O-N 2.83Å |
| 303 | K | 98.5 | Very high | 98.5 | Very high | 100 Ų | 100 | 109.5 Ų | 109.5 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 175.8 | -175.7 | 176 | -176.6 | -79.8 | 0 | 112 | Y299 R305 E306 E307 | Y299-K303 PolarHBondContact O-N 3.47Å; K303-R305 VanDerWaalsContact C-N 3.31Å; K303-R305 PolarHBondContact O-N 2.84Å; K303-E306 PolarHBondContact O-N 2.77Å; K303-E307 IonicContact NZ-OE1 2.69Å; K303-E307 PolarHBondContact NZ-OE1 2.68Å; K303-E307 WeakPolarHBondContact O-CB 3.5Å; K303-E307 WeakPolarHBondContact O-CG 3.46Å; K303-E307 PolarHBondContact O-N 3.31Å |
| 304 | L | 98.6 | Very high | 98.5 | Very high | 115 Ų | 115 | 110.4 Ų | 110.4 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -34.6 | 177.4 | -174.9 | 63.4 | 0 | 0 | 0 | 112.3 | E300 Q301 Y302 H308 | E300-L304 WeakPolarHBondContact O-CB 3.47Å; E300-L304 PolarHBondContact O-N 3.36Å; Q301-L304 PolarHBondContact O-N 2.86Å; Y302-L304 PolarHBondContact O-N 3.3Å; L304-H308 WeakPolarHBondContact O-CB 3.28Å; L304-H308 PolarHBondContact O-N 2.86Å |
| 305 | R | 98.3 | Very high | 98.5 | Very high | 170 Ų | 170 | 111 Ų | 111 | 64% | 0.642 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.9 | -42.8 | 173.7 | -179.5 | -178.9 | 178.5 | 127.7 | 2.9 | 111.8 | Q301 Y302 K303 H308 I309 | Q301-R305 WeakPolarHBondContact O-CB 3.5Å; Q301-R305 PolarHBondContact O-N 3.36Å; Y302-R305 WeakPolarHBondContact O-CB 3.48Å; Y302-R305 PolarHBondContact O-N 2.85Å; K303-R305 VanDerWaalsContact C-N 3.31Å; K303-R305 PolarHBondContact O-N 2.84Å; R305-H308 WeakPolarHBondContact O-CB 3.25Å; R305-H308 PolarHBondContact O-N 3.49Å; R305-I309 HydrophobicContact CG-CD1 4.07Å; R305-I309 WeakPolarHBondContact O-CG1 3.42Å; R305-I309 PolarHBondContact O-N 3.14Å |
| 306 | E | 98.4 | Very high | 98.5 | Very high | 131 Ų | 131 | 110.8 Ų | 110.8 | 61% | 0.612 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.2 | -50.7 | 175 | -174.7 | 170.6 | -134.1 | 0 | 0 | 110.5 | Y302 K303 H308 I309 D310 | Y302-E306 WeakPolarHBondContact O-CB 3.37Å; Y302-E306 PolarHBondContact O-N 2.83Å; K303-E306 PolarHBondContact O-N 2.77Å; E306-H308 PolarHBondContact O-N 2.94Å; E306-H308 VanDerWaalsContact O-N 3.14Å; E306-I309 PolarHBondContact O-N 3.2Å; E306-I309 VanDerWaalsContact O-N 3.08Å; E306-D310 WeakPolarHBondContact O-CB 3.47Å; E306-D310 PolarHBondContact O-N 2.92Å |
| 307 | E | 98.4 | Very high | 98.5 | Very high | 71 Ų | 71 | 108.6 Ų | 108.6 | 33% | 0.332 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.7 | -27.3 | 173.1 | -75.3 | -177.1 | -150.8 | 0 | 0 | 113.9 | K303 K311 | K303-E307 IonicContact NZ-OE1 2.69Å; K303-E307 PolarHBondContact NZ-OE1 2.68Å; K303-E307 WeakPolarHBondContact O-CB 3.5Å; K303-E307 WeakPolarHBondContact O-CG 3.46Å; K303-E307 PolarHBondContact O-N 3.31Å; E307-K311 WeakPolarHBondContact O-CD 3.3Å; E307-K311 WeakPolarHBondContact O-CE 3.44Å; E307-K311 WeakPolarHBondContact O-CG 3.43Å; E307-K311 PolarHBondContact O-N 3.4Å; E307-K311 PolarHBondContact O-NZ 2.92Å; E307-K311 IonicContact OE2-NZ 3.51Å |
| 308 | H | 98.4 | Very high | 98.5 | Very high | 118 Ų | 118 | 109.4 Ų | 109.4 | 55% | 0.546 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -78.8 | -43.5 | 174 | 178.2 | 71.6 | 0 | 0 | 0 | 112 | L304 R305 E306 D310 K311 V312 | L304-H308 WeakPolarHBondContact O-CB 3.28Å; L304-H308 PolarHBondContact O-N 2.86Å; R305-H308 WeakPolarHBondContact O-CB 3.25Å; R305-H308 PolarHBondContact O-N 3.49Å; E306-H308 PolarHBondContact O-N 2.94Å; E306-H308 VanDerWaalsContact O-N 3.14Å; H308-D310 VanDerWaalsContact C-N 3.28Å; H308-D310 PolarHBondContact O-N 3.22Å; H308-K311 PolarHBondContact O-N 2.96Å; H308-K311 VanDerWaalsContact O-N 3.16Å; H308-V312 WeakPolarHBondContact O-CG2 3.45Å; H308-V312 PolarHBondContact O-N 2.93Å |
| 309 | I | 98.5 | Very high | 98.5 | Very high | 84 Ų | 84 | 109.6 Ų | 109.6 | 43% | 0.431 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 174.3 | -70.2 | 164.2 | 0 | 0 | 0 | 109.8 | R305 E306 K311 V312 V313 | R305-I309 HydrophobicContact CG-CD1 4.07Å; R305-I309 WeakPolarHBondContact O-CG1 3.42Å; R305-I309 PolarHBondContact O-N 3.14Å; E306-I309 PolarHBondContact O-N 3.2Å; E306-I309 VanDerWaalsContact O-N 3.08Å; I309-K311 VanDerWaalsContact C-N 3.3Å; I309-K311 PolarHBondContact O-N 3.04Å; I309-V312 CarbonylContact O-C 3.59Å; I309-V312 PolarHBondContact O-N 3.17Å; I309-V313 HydrophobicContact CG2-CG2 4.27Å; I309-V313 WeakPolarHBondContact O-CG2 3.48Å; I309-V313 PolarHBondContact O-N 3.27Å |
| 310 | D | 98.6 | Very high | 98.5 | Very high | 78 Ų | 78 | 106.6 Ų | 106.6 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -54.4 | -42.9 | 175.5 | -121.3 | 44.6 | 0 | 0 | 0 | 113 | E306 H308 K314 | E306-D310 WeakPolarHBondContact O-CB 3.47Å; E306-D310 PolarHBondContact O-N 2.92Å; H308-D310 VanDerWaalsContact C-N 3.28Å; H308-D310 PolarHBondContact O-N 3.22Å; D310-K314 WeakPolarHBondContact O-CB 3.29Å; D310-K314 WeakPolarHBondContact O-CD 3.47Å; D310-K314 VanDerWaalsContact O-CG 3.28Å; D310-K314 WeakPolarHBondContact O-CG 3.38Å; D310-K314 PolarHBondContact O-N 2.9Å; D310-K314 IonicContact OD2-NZ 2.69Å; D310-K314 PolarHBondContact OD2-NZ 2.94Å |
| 311 | K | 98.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 107.5 Ų | 107.5 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.9 | -36.2 | 177.6 | -69.3 | 159.4 | -164.1 | 153.7 | 0 | 111.5 | E307 H308 I309 H315 | E307-K311 WeakPolarHBondContact O-CD 3.3Å; E307-K311 WeakPolarHBondContact O-CE 3.44Å; E307-K311 WeakPolarHBondContact O-CG 3.43Å; E307-K311 PolarHBondContact O-N 3.4Å; E307-K311 PolarHBondContact O-NZ 2.92Å; E307-K311 IonicContact OE2-NZ 3.51Å; H308-K311 PolarHBondContact O-N 2.96Å; H308-K311 VanDerWaalsContact O-N 3.16Å; I309-K311 VanDerWaalsContact C-N 3.3Å; I309-K311 PolarHBondContact O-N 3.04Å; K311-H315 WeakPolarHBondContact O-CB 3.34Å; K311-H315 PolarHBondContact O-N 3.05Å |
| 312 | V | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 106.2 Ų | 106.2 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | H308 I309 H315 K316 | H308-V312 WeakPolarHBondContact O-CG2 3.45Å; H308-V312 PolarHBondContact O-N 2.93Å; I309-V312 CarbonylContact O-C 3.59Å; I309-V312 PolarHBondContact O-N 3.17Å; V312-H315 PolarHBondContact O-N 2.84Å; V312-K316 WeakPolarHBondContact O-CG 3.39Å; V312-K316 PolarHBondContact O-N 3.41Å |
| 313 | V | 98.6 | Very high | 98.5 | Very high | 70 Ų | 70 | 102.6 Ų | 102.6 | 42% | 0.424 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -53 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 109.9 | I309 H315 K316 D317 | I309-V313 HydrophobicContact CG2-CG2 4.27Å; I309-V313 WeakPolarHBondContact O-CG2 3.48Å; I309-V313 PolarHBondContact O-N 3.27Å; V313-H315 VanDerWaalsContact C-N 3.28Å; V313-H315 PolarHBondContact O-N 2.72Å; V313-K316 CarbonylContact O-C 3.59Å; V313-K316 WeakPolarHBondContact O-CA 3.43Å; V313-K316 WeakPolarHBondContact O-CB 3.5Å; V313-K316 PolarHBondContact O-N 3.32Å; V313-D317 VanDerWaalsContact O-CG 3.26Å; V313-D317 PolarHBondContact O-N 3.4Å |
| 314 | K | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 101.5 Ų | 101.5 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.9 | -37.6 | 177.6 | -71.8 | 160.5 | -176.4 | 158.2 | 0 | 112.9 | D310 L318 | D310-K314 WeakPolarHBondContact O-CB 3.29Å; D310-K314 WeakPolarHBondContact O-CD 3.47Å; D310-K314 VanDerWaalsContact O-CG 3.28Å; D310-K314 WeakPolarHBondContact O-CG 3.38Å; D310-K314 PolarHBondContact O-N 2.9Å; D310-K314 IonicContact OD2-NZ 2.69Å; D310-K314 PolarHBondContact OD2-NZ 2.94Å; K314-L318 WeakPolarHBondContact O-CB 3.48Å; K314-L318 VanDerWaalsContact O-CG 3.28Å; K314-L318 WeakPolarHBondContact O-CG 3.37Å; K314-L318 PolarHBondContact O-N 3.22Å; K314-L318 VanDerWaalsContact O-N 3.11Å |
| 315 | H | 98.4 | Very high | 98.5 | Very high | 119 Ų | 119 | 98.9 Ų | 98.9 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.8 | -39 | 171.3 | -179.1 | -50.9 | 0 | 0 | 0 | 112 | K311 V312 V313 Q319 | K311-H315 WeakPolarHBondContact O-CB 3.34Å; K311-H315 PolarHBondContact O-N 3.05Å; V312-H315 PolarHBondContact O-N 2.84Å; V313-H315 VanDerWaalsContact C-N 3.28Å; V313-H315 PolarHBondContact O-N 2.72Å; H315-Q319 VanDerWaalsContact O-CB 3.27Å; H315-Q319 WeakPolarHBondContact O-CB 3.44Å; H315-Q319 PolarHBondContact O-N 2.77Å |
| 316 | K | 98.4 | Very high | 98.5 | Very high | 115 Ų | 115 | 96.7 Ų | 96.7 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.2 | -39.1 | 178.6 | -74 | -73.2 | 163.2 | -163.8 | 0 | 112.3 | V312 V313 Q319 Q320 | V312-K316 WeakPolarHBondContact O-CG 3.39Å; V312-K316 PolarHBondContact O-N 3.41Å; V313-K316 CarbonylContact O-C 3.59Å; V313-K316 WeakPolarHBondContact O-CA 3.43Å; V313-K316 WeakPolarHBondContact O-CB 3.5Å; V313-K316 PolarHBondContact O-N 3.32Å; K316-Q319 PolarHBondContact O-N 2.86Å; K316-Q320 WeakPolarHBondContact O-CB 3.27Å; K316-Q320 PolarHBondContact O-N 2.85Å |
| 317 | D | 98.5 | Very high | 98.5 | Very high | 79 Ų | 79 | 94.9 Ų | 94.9 | 42% | 0.422 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 174.8 | -57 | -30.2 | 0 | 0 | 0 | 111.1 | V313 Q319 Q320 Q321 | V313-D317 VanDerWaalsContact O-CG 3.26Å; V313-D317 PolarHBondContact O-N 3.4Å; D317-Q319 VanDerWaalsContact C-N 3.34Å; D317-Q319 PolarHBondContact O-N 2.95Å; D317-Q320 PolarHBondContact O-N 3.44Å; D317-Q321 VanDerWaalsContact O-CG 3.28Å; D317-Q321 WeakPolarHBondContact O-CG 3.29Å; D317-Q321 PolarHBondContact O-N 3.39Å |
| 318 | L | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 96.4 Ų | 96.4 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.9 | -35.8 | 174.8 | -70 | 170.5 | 0 | 0 | 0 | 112.5 | K314 L322 | K314-L318 WeakPolarHBondContact O-CB 3.48Å; K314-L318 VanDerWaalsContact O-CG 3.28Å; K314-L318 WeakPolarHBondContact O-CG 3.37Å; K314-L318 PolarHBondContact O-N 3.22Å; K314-L318 VanDerWaalsContact O-N 3.11Å; L318-L322 WeakPolarHBondContact O-CB 3.31Å; L318-L322 PolarHBondContact O-N 2.84Å; L318-L322 VanDerWaalsContact O-N 3.08Å |
| 319 | Q | 98.2 | Very high | 98.5 | Very high | 88 Ų | 88 | 96.2 Ų | 96.2 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 174.1 | -176.1 | 175.3 | 12.8 | 0 | 0 | 111.5 | H315 K316 D317 V323 | H315-Q319 VanDerWaalsContact O-CB 3.27Å; H315-Q319 WeakPolarHBondContact O-CB 3.44Å; H315-Q319 PolarHBondContact O-N 2.77Å; K316-Q319 PolarHBondContact O-N 2.86Å; D317-Q319 VanDerWaalsContact C-N 3.34Å; D317-Q319 PolarHBondContact O-N 2.95Å; Q319-V323 WeakPolarHBondContact O-CG2 3.16Å; Q319-V323 PolarHBondContact O-N 3.26Å |
| 320 | Q | 98.5 | Very high | 98.4 | Very high | 103 Ų | 103 | 94.7 Ų | 94.7 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.4 | -50 | 176.9 | -173.7 | 58.3 | 50.7 | 0 | 0 | 110.7 | K316 D317 L322 V323 D324 | K316-Q320 WeakPolarHBondContact O-CB 3.27Å; K316-Q320 PolarHBondContact O-N 2.85Å; D317-Q320 PolarHBondContact O-N 3.44Å; Q320-L322 PolarHBondContact O-N 2.86Å; Q320-V323 CarbonylContact O-C 3.6Å; Q320-V323 WeakPolarHBondContact O-CA 3.3Å; Q320-V323 WeakPolarHBondContact O-CB 3.41Å; Q320-V323 PolarHBondContact O-N 3.33Å; Q320-D324 WeakPolarHBondContact CG-OD2 3.14Å; Q320-D324 PolarHBondContact NE2-OD1 3.25Å; Q320-D324 PolarHBondContact NE2-OD2 3.42Å; Q320-D324 VanDerWaalsContact O-CG 3.3Å; Q320-D324 PolarHBondContact O-N 3.23Å |
| 321 | Q | 98.6 | Very high | 98.4 | Very high | 117 Ų | 117 | 96.1 Ų | 96.1 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.1 | -38.1 | 175.4 | -70.6 | 168.1 | 24.1 | 0 | 0 | 112.6 | D317 A325 | D317-Q321 VanDerWaalsContact O-CG 3.28Å; D317-Q321 WeakPolarHBondContact O-CG 3.29Å; D317-Q321 PolarHBondContact O-N 3.39Å; Q321-A325 VanDerWaalsContact O-CB 3.24Å; Q321-A325 WeakPolarHBondContact O-CB 3.4Å; Q321-A325 PolarHBondContact O-N 3.4Å |
| 322 | L | 98.5 | Very high | 98.4 | Very high | 102 Ų | 102 | 95 Ų | 95 | 53% | 0.534 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.5 | -32.4 | 175.1 | -178.4 | 65.4 | 0 | 0 | 0 | 113.2 | L318 Q320 K326 | L318-L322 WeakPolarHBondContact O-CB 3.31Å; L318-L322 PolarHBondContact O-N 2.84Å; L318-L322 VanDerWaalsContact O-N 3.08Å; Q320-L322 PolarHBondContact O-N 2.86Å; L322-K326 WeakPolarHBondContact O-CD 3.37Å; L322-K326 VanDerWaalsContact O-CG 3.27Å; L322-K326 WeakPolarHBondContact O-CG 3.44Å; L322-K326 PolarHBondContact O-N 3.07Å |
| 323 | V | 98.3 | Very high | 98.3 | Very high | 79 Ų | 79 | 97.1 Ų | 97.1 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75 | -45 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | Q319 Q320 A325 K326 L327 | Q319-V323 WeakPolarHBondContact O-CG2 3.16Å; Q319-V323 PolarHBondContact O-N 3.26Å; Q320-V323 CarbonylContact O-C 3.6Å; Q320-V323 WeakPolarHBondContact O-CA 3.3Å; Q320-V323 WeakPolarHBondContact O-CB 3.41Å; Q320-V323 PolarHBondContact O-N 3.33Å; V323-A325 PolarHBondContact O-N 2.81Å; V323-K326 PolarHBondContact O-N 3.1Å; V323-L327 PolarHBondContact O-N 2.99Å |
| 324 | D | 98.6 | Very high | 98.3 | Very high | 76 Ų | 76 | 98.5 Ų | 98.5 | 41% | 0.406 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 179.6 | -60.9 | -29.1 | 0 | 0 | 0 | 111.4 | Q320 K326 L327 H328 | Q320-D324 WeakPolarHBondContact CG-OD2 3.14Å; Q320-D324 PolarHBondContact NE2-OD1 3.25Å; Q320-D324 PolarHBondContact NE2-OD2 3.42Å; Q320-D324 VanDerWaalsContact O-CG 3.3Å; Q320-D324 PolarHBondContact O-N 3.23Å; D324-K326 VanDerWaalsContact C-N 3.34Å; D324-K326 PolarHBondContact O-N 3.24Å; D324-L327 PolarHBondContact O-N 3.28Å; D324-H328 WeakPolarHBondContact O-CB 3.43Å; D324-H328 PolarHBondContact O-N 3.5Å |
| 325 | A | 98.4 | Very high | 98.3 | Very high | 60 Ų | 60 | 98.5 Ų | 98.5 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -37.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q321 V323 Q329 | Q321-A325 VanDerWaalsContact O-CB 3.24Å; Q321-A325 WeakPolarHBondContact O-CB 3.4Å; Q321-A325 PolarHBondContact O-N 3.4Å; V323-A325 PolarHBondContact O-N 2.81Å; A325-Q329 WeakPolarHBondContact O-CB 3.36Å; A325-Q329 PolarHBondContact O-N 3.11Å |
| 326 | K | 98.4 | Very high | 98.3 | Very high | 125 Ų | 125 | 99.2 Ų | 99.2 | 54% | 0.543 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.7 | -35.7 | 174.6 | -77.3 | 175.9 | 178.6 | -176.4 | 0 | 112.6 | L322 V323 D324 A330 | L322-K326 WeakPolarHBondContact O-CD 3.37Å; L322-K326 VanDerWaalsContact O-CG 3.27Å; L322-K326 WeakPolarHBondContact O-CG 3.44Å; L322-K326 PolarHBondContact O-N 3.07Å; V323-K326 PolarHBondContact O-N 3.1Å; D324-K326 VanDerWaalsContact C-N 3.34Å; D324-K326 PolarHBondContact O-N 3.24Å; K326-A330 WeakPolarHBondContact O-CB 3.47Å; K326-A330 PolarHBondContact O-N 2.84Å |
| 327 | L | 98.4 | Very high | 98.2 | Very high | 93 Ų | 93 | 97.4 Ų | 97.4 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -46 | 174.1 | 178.9 | 60.3 | 0 | 0 | 0 | 110.5 | V323 D324 A330 Q331 | V323-L327 PolarHBondContact O-N 2.99Å; D324-L327 PolarHBondContact O-N 3.28Å; L327-A330 PolarHBondContact O-N 3.39Å; L327-Q331 HydrophobicContact CD1-CG 4.35Å; L327-Q331 WeakPolarHBondContact O-CB 3.47Å; L327-Q331 VanDerWaalsContact O-CG 3.29Å; L327-Q331 WeakPolarHBondContact O-CG 3.39Å; L327-Q331 PolarHBondContact O-N 3.46Å |
| 328 | H | 98.1 | Very high | 98.1 | Very high | 103 Ų | 103 | 98.9 Ų | 98.9 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 175.6 | -161.8 | -77.9 | 0 | 0 | 0 | 111.3 | D324 A330 Q331 E332 | D324-H328 WeakPolarHBondContact O-CB 3.43Å; D324-H328 PolarHBondContact O-N 3.5Å; H328-A330 VanDerWaalsContact C-N 3.31Å; H328-A330 PolarHBondContact O-N 2.94Å; H328-Q331 WeakPolarHBondContact O-CB 3.39Å; H328-Q331 PolarHBondContact O-N 3.08Å; H328-Q331 VanDerWaalsContact O-N 3.13Å; H328-E332 IonicContact CE1-OE1 3.81Å; H328-E332 PolarHBondContact CE1-OE1 2.88Å; H328-E332 VanDerWaalsContact CE1-OE1 3.28Å; H328-E332 IonicContact CE1-OE2 2.6Å; H328-E332 PolarHBondContact CE1-OE2 3.46Å; H328-E332 IonicContact CG-OE2 2.65Å; H328-E332 IonicContact ND1-OE1 2.69Å; H328-E332 IonicContact ND1-OE2 3.8Å; H328-E332 PolarHBondContact ND1-OE2 2.78Å; H328-E332 WeakPolarHBondContact O-CG 3.5Å; H328-E332 PolarHBondContact O-N 3.35Å |
| 329 | Q | 98.3 | Very high | 98.1 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 176.3 | -174.6 | -179.3 | 26.4 | 0 | 0 | 112.7 | A325 M333 | A325-Q329 WeakPolarHBondContact O-CB 3.36Å; A325-Q329 PolarHBondContact O-N 3.11Å; Q329-M333 WeakPolarHBondContact O-CG 3.49Å; Q329-M333 PolarHBondContact O-N 3.36Å |
| 330 | A | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 98.1 Ų | 98.1 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.5 | -36.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K326 L327 H328 L334 | K326-A330 WeakPolarHBondContact O-CB 3.47Å; K326-A330 PolarHBondContact O-N 2.84Å; L327-A330 PolarHBondContact O-N 3.39Å; H328-A330 VanDerWaalsContact C-N 3.31Å; H328-A330 PolarHBondContact O-N 2.94Å; A330-L334 WeakPolarHBondContact O-CB 3.18Å; A330-L334 PolarHBondContact O-N 3.45Å |
| 331 | Q | 98.2 | Very high | 98 | Very high | 108 Ų | 108 | 98.5 Ų | 98.5 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | 174.3 | -73.2 | 170.2 | -21.9 | 0 | 0 | 111.8 | L327 H328 L334 K335 | L327-Q331 HydrophobicContact CD1-CG 4.35Å; L327-Q331 WeakPolarHBondContact O-CB 3.47Å; L327-Q331 VanDerWaalsContact O-CG 3.29Å; L327-Q331 WeakPolarHBondContact O-CG 3.39Å; L327-Q331 PolarHBondContact O-N 3.46Å; H328-Q331 WeakPolarHBondContact O-CB 3.39Å; H328-Q331 PolarHBondContact O-N 3.08Å; H328-Q331 VanDerWaalsContact O-N 3.13Å; Q331-L334 PolarHBondContact O-N 3.5Å; Q331-K335 VanDerWaalsContact O-CB 3.29Å; Q331-K335 WeakPolarHBondContact O-CB 3.23Å; Q331-K335 PolarHBondContact O-N 3.14Å |
| 332 | E | 97.8 | Very high | 98 | Very high | 98 Ų | 98 | 96.8 Ų | 96.8 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -48.6 | 174.8 | -74.9 | 174 | 127.3 | 0 | 0 | 111.5 | H328 L334 K335 E336 | H328-E332 IonicContact CE1-OE1 3.81Å; H328-E332 PolarHBondContact CE1-OE1 2.88Å; H328-E332 VanDerWaalsContact CE1-OE1 3.28Å; H328-E332 IonicContact CE1-OE2 2.6Å; H328-E332 PolarHBondContact CE1-OE2 3.46Å; H328-E332 IonicContact CG-OE2 2.65Å; H328-E332 IonicContact ND1-OE1 2.69Å; H328-E332 IonicContact ND1-OE2 3.8Å; H328-E332 PolarHBondContact ND1-OE2 2.78Å; H328-E332 WeakPolarHBondContact O-CG 3.5Å; H328-E332 PolarHBondContact O-N 3.35Å; E332-L334 VanDerWaalsContact C-N 3.31Å; E332-L334 PolarHBondContact O-N 3.49Å; E332-K335 PolarHBondContact O-N 3Å; E332-E336 WeakPolarHBondContact O-CB 3.32Å; E332-E336 WeakPolarHBondContact O-CG 3.35Å; E332-E336 PolarHBondContact O-N 2.88Å |
| 333 | M | 97.8 | Very high | 98 | Very high | 112 Ų | 112 | 99 Ų | 99 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -35.4 | 176.3 | -70.4 | -167.8 | -52.9 | 0 | 0 | 113 | Q329 S337 | Q329-M333 WeakPolarHBondContact O-CG 3.49Å; Q329-M333 PolarHBondContact O-N 3.36Å; M333-S337 WeakPolarHBondContact O-CB 3.31Å; M333-S337 PolarHBondContact O-N 3.33Å; M333-S337 VanDerWaalsContact O-N 3.08Å |
| 334 | L | 97.9 | Very high | 97.9 | Very high | 99 Ų | 99 | 99.9 Ų | 99.9 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -49.8 | 172.9 | 177.1 | 60.8 | 0 | 0 | 0 | 110.4 | A330 Q331 E332 E336 S337 E338 | A330-L334 WeakPolarHBondContact O-CB 3.18Å; A330-L334 PolarHBondContact O-N 3.45Å; Q331-L334 PolarHBondContact O-N 3.5Å; E332-L334 VanDerWaalsContact C-N 3.31Å; E332-L334 PolarHBondContact O-N 3.49Å; L334-E336 PolarHBondContact O-N 2.85Å; L334-S337 CarbonylContact O-C 3.55Å; L334-S337 WeakPolarHBondContact O-CB 3.41Å; L334-S337 PolarHBondContact O-N 2.89Å; L334-S337 VanDerWaalsContact O-N 3.13Å; L334-E338 HydrophobicContact CD1-CG 4.27Å; L334-E338 HydrophobicContact CG-CG 4.46Å; L334-E338 WeakPolarHBondContact O-CG 3.3Å; L334-E338 PolarHBondContact O-N 2.95Å |
| 335 | K | 98.1 | Very high | 97.9 | Very high | 114 Ų | 114 | 101.4 Ų | 101.4 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 179.5 | -178.2 | 174.6 | 173.4 | -69.6 | 0 | 112.7 | Q331 E332 S337 E338 E339 | Q331-K335 VanDerWaalsContact O-CB 3.29Å; Q331-K335 WeakPolarHBondContact O-CB 3.23Å; Q331-K335 PolarHBondContact O-N 3.14Å; E332-K335 PolarHBondContact O-N 3Å; K335-S337 VanDerWaalsContact C-N 3.33Å; K335-E338 PolarHBondContact O-N 3.3Å; K335-E339 IonicContact NZ-OE1 2.85Å; K335-E339 PolarHBondContact NZ-OE1 3.02Å; K335-E339 WeakPolarHBondContact O-CB 3.49Å; K335-E339 VanDerWaalsContact O-CG 3.31Å; K335-E339 WeakPolarHBondContact O-CG 3.42Å; K335-E339 PolarHBondContact O-N 3.37Å |
| 336 | E | 97.7 | Very high | 97.9 | Very high | 133 Ų | 133 | 102.3 Ų | 102.3 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 173.2 | -75 | -175.2 | 157.8 | 0 | 0 | 111.8 | E332 L334 H340 | E332-E336 WeakPolarHBondContact O-CB 3.32Å; E332-E336 WeakPolarHBondContact O-CG 3.35Å; E332-E336 PolarHBondContact O-N 2.88Å; L334-E336 PolarHBondContact O-N 2.85Å; E336-H340 WeakPolarHBondContact O-CB 3.39Å; E336-H340 PolarHBondContact O-N 3.5Å |
| 337 | S | 97.1 | Very high | 97.8 | Very high | 78 Ų | 78 | 102.4 Ų | 102.4 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 175.5 | -170 | 0 | 0 | 0 | 0 | 112.5 | M333 L334 K335 H340 H341 | M333-S337 WeakPolarHBondContact O-CB 3.31Å; M333-S337 PolarHBondContact O-N 3.33Å; M333-S337 VanDerWaalsContact O-N 3.08Å; L334-S337 CarbonylContact O-C 3.55Å; L334-S337 WeakPolarHBondContact O-CB 3.41Å; L334-S337 PolarHBondContact O-N 2.89Å; L334-S337 VanDerWaalsContact O-N 3.13Å; K335-S337 VanDerWaalsContact C-N 3.33Å; S337-H340 PolarHBondContact O-N 3.13Å; S337-H341 WeakPolarHBondContact O-CB 3.33Å; S337-H341 PolarHBondContact O-N 2.88Å |
| 338 | E | 97.1 | Very high | 97.8 | Very high | 109 Ų | 109 | 102.3 Ų | 102.3 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 173.6 | -72.7 | 172.8 | 162.5 | 0 | 0 | 110.9 | L334 K335 H340 H341 D342 | L334-E338 HydrophobicContact CD1-CG 4.27Å; L334-E338 HydrophobicContact CG-CG 4.46Å; L334-E338 WeakPolarHBondContact O-CG 3.3Å; L334-E338 PolarHBondContact O-N 2.95Å; K335-E338 PolarHBondContact O-N 3.3Å; E338-H340 VanDerWaalsContact C-N 3.3Å; E338-H340 PolarHBondContact O-N 3.1Å; E338-H341 PolarHBondContact O-N 3.34Å; E338-D342 PolarHBondContact O-N 2.94Å |
| 339 | E | 97.7 | Very high | 97.8 | Very high | 69 Ų | 69 | 102.5 Ų | 102.5 | 32% | 0.322 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -30.8 | 175.8 | -69.3 | -178.4 | -169.7 | 0 | 0 | 112.7 | K335 R343 | K335-E339 IonicContact NZ-OE1 2.85Å; K335-E339 PolarHBondContact NZ-OE1 3.02Å; K335-E339 WeakPolarHBondContact O-CB 3.49Å; K335-E339 VanDerWaalsContact O-CG 3.31Å; K335-E339 WeakPolarHBondContact O-CG 3.42Å; K335-E339 PolarHBondContact O-N 3.37Å; E339-R343 WeakPolarHBondContact O-CB 3.41Å; E339-R343 VanDerWaalsContact O-CD 3.25Å; E339-R343 WeakPolarHBondContact O-CD 3.41Å; E339-R343 WeakPolarHBondContact O-CG 3.35Å; E339-R343 PolarHBondContact O-N 3.48Å; E339-R343 VanDerWaalsContact O-N 3.13Å; E339-R343 PolarHBondContact O-NH1 2.94Å; E339-R343 IonicContact OE2-CZ 3.71Å; E339-R343 IonicContact OE2-NH1 2.68Å; E339-R343 IonicContact OE2-NH2 2.85Å; E339-R343 PolarHBondContact OE2-NH2 3.09Å |
| 340 | H | 97.9 | Very high | 97.8 | Very high | 117 Ų | 117 | 103 Ų | 103 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -48.4 | 171.4 | -176.2 | -71.4 | 0 | 0 | 0 | 111 | E336 S337 E338 D342 R343 E344 | E336-H340 WeakPolarHBondContact O-CB 3.39Å; E336-H340 PolarHBondContact O-N 3.5Å; S337-H340 PolarHBondContact O-N 3.13Å; E338-H340 VanDerWaalsContact C-N 3.3Å; E338-H340 PolarHBondContact O-N 3.1Å; H340-D342 PolarHBondContact O-N 3.4Å; H340-R343 PolarHBondContact O-N 3.11Å; H340-E344 IonicContact CE1-OE2 2.73Å; H340-E344 IonicContact ND1-OE2 2.77Å; H340-E344 WeakPolarHBondContact O-CB 3.37Å; H340-E344 PolarHBondContact O-N 2.71Å |
| 341 | H | 97.9 | Very high | 97.8 | Very high | 111 Ų | 111 | 106 Ų | 106 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 178.9 | 179 | 64.2 | 0 | 0 | 0 | 111.8 | S337 E338 R343 E344 K345 | S337-H341 WeakPolarHBondContact O-CB 3.33Å; S337-H341 PolarHBondContact O-N 2.88Å; E338-H341 PolarHBondContact O-N 3.34Å; H341-R343 PolarHBondContact O-N 3.44Å; H341-E344 PolarHBondContact O-N 2.86Å; H341-K345 WeakPolarHBondContact O-CB 3.21Å; H341-K345 PolarHBondContact O-N 3.03Å |
| 342 | D | 97.7 | Very high | 97.8 | Very high | 80 Ų | 80 | 103.6 Ų | 103.6 | 43% | 0.428 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176 | -90.7 | -28.5 | 0 | 0 | 0 | 111.7 | E338 H340 E344 K345 D346 | E338-D342 PolarHBondContact O-N 2.94Å; H340-D342 PolarHBondContact O-N 3.4Å; D342-E344 PolarHBondContact O-N 3.22Å; D342-K345 PolarHBondContact O-N 2.89Å; D342-K345 IonicContact OD1-NZ 2.58Å; D342-K345 PolarHBondContact OD1-NZ 3.33Å; D342-D346 VanDerWaalsContact O-CB 3.29Å; D342-D346 WeakPolarHBondContact O-CB 3.31Å; D342-D346 PolarHBondContact O-N 2.88Å |
| 343 | R | 97.9 | Very high | 97.8 | Very high | 148 Ų | 148 | 103 Ų | 103 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.3 | -42.2 | 173.6 | -72.8 | 164.1 | -169.5 | 123.7 | 4.3 | 112.7 | E339 H340 H341 D346 F347 | E339-R343 WeakPolarHBondContact O-CB 3.41Å; E339-R343 VanDerWaalsContact O-CD 3.25Å; E339-R343 WeakPolarHBondContact O-CD 3.41Å; E339-R343 WeakPolarHBondContact O-CG 3.35Å; E339-R343 PolarHBondContact O-N 3.48Å; E339-R343 VanDerWaalsContact O-N 3.13Å; E339-R343 PolarHBondContact O-NH1 2.94Å; E339-R343 IonicContact OE2-CZ 3.71Å; E339-R343 IonicContact OE2-NH1 2.68Å; E339-R343 IonicContact OE2-NH2 2.85Å; E339-R343 PolarHBondContact OE2-NH2 3.09Å; H340-R343 PolarHBondContact O-N 3.11Å; H341-R343 PolarHBondContact O-N 3.44Å; R343-D346 PolarHBondContact O-N 3.08Å; R343-F347 WeakPolarHBondContact O-CB 3.28Å; R343-F347 PolarHBondContact O-N 3.39Å |
| 344 | E | 97.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 102.2 Ų | 102.2 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 178.6 | -177.7 | 177.6 | -175 | 0 | 0 | 111.4 | H340 H341 D342 D346 F347 L348 | H340-E344 IonicContact CE1-OE2 2.73Å; H340-E344 IonicContact ND1-OE2 2.77Å; H340-E344 WeakPolarHBondContact O-CB 3.37Å; H340-E344 PolarHBondContact O-N 2.71Å; H341-E344 PolarHBondContact O-N 2.86Å; D342-E344 PolarHBondContact O-N 3.22Å; E344-D346 PolarHBondContact O-N 2.99Å; E344-F347 WeakPolarHBondContact O-CB 3.28Å; E344-F347 PolarHBondContact O-N 2.96Å; E344-L348 HydrophobicContact CG-CD1 4.17Å; E344-L348 WeakPolarHBondContact O-CG 3.29Å; E344-L348 PolarHBondContact O-N 3.16Å |
| 345 | K | 98.2 | Very high | 97.7 | Very high | 108 Ų | 108 | 100.6 Ų | 100.6 | 47% | 0.47 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58 | -44.4 | 172.5 | 168.8 | -178.7 | 149.1 | -154.4 | 0 | 112 | H341 D342 F347 L348 L349 | H341-K345 WeakPolarHBondContact O-CB 3.21Å; H341-K345 PolarHBondContact O-N 3.03Å; D342-K345 PolarHBondContact O-N 2.89Å; D342-K345 IonicContact OD1-NZ 2.58Å; D342-K345 PolarHBondContact OD1-NZ 3.33Å; K345-F347 VanDerWaalsContact C-N 3.31Å; K345-F347 PolarHBondContact O-N 3.13Å; K345-L348 PolarHBondContact O-N 2.8Å; K345-L349 VanDerWaalsContact O-CB 3.27Å; K345-L349 WeakPolarHBondContact O-CB 3.42Å; K345-L349 PolarHBondContact O-N 2.82Å |
| 346 | D | 97.5 | Very high | 97.7 | Very high | 78 Ų | 78 | 100.6 Ų | 100.6 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -34 | 176 | -121.7 | 42.5 | 0 | 0 | 0 | 112.3 | D342 R343 E344 K350 | D342-D346 VanDerWaalsContact O-CB 3.29Å; D342-D346 WeakPolarHBondContact O-CB 3.31Å; D342-D346 PolarHBondContact O-N 2.88Å; R343-D346 PolarHBondContact O-N 3.08Å; E344-D346 PolarHBondContact O-N 2.99Å; D346-K350 WeakPolarHBondContact O-CD 3.17Å; D346-K350 VanDerWaalsContact O-CE 3.3Å; D346-K350 WeakPolarHBondContact O-CE 3.05Å; D346-K350 WeakPolarHBondContact O-CG 3.42Å; D346-K350 PolarHBondContact O-N 2.97Å; D346-K350 PolarHBondContact O-NZ 3.23Å; D346-K350 IonicContact OD2-NZ 3.22Å; D346-K350 PolarHBondContact OD2-NZ 3.4Å |
| 347 | F | 97.9 | Very high | 97.7 | Very high | 127 Ų | 127 | 102.2 Ų | 102.2 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.4 | -52.7 | 175.2 | 175.7 | -88.6 | 0 | 0 | 0 | 111 | R343 E344 K345 L349 K350 E351 | R343-F347 WeakPolarHBondContact O-CB 3.28Å; R343-F347 PolarHBondContact O-N 3.39Å; E344-F347 WeakPolarHBondContact O-CB 3.28Å; E344-F347 PolarHBondContact O-N 2.96Å; K345-F347 VanDerWaalsContact C-N 3.31Å; K345-F347 PolarHBondContact O-N 3.13Å; F347-L349 VanDerWaalsContact C-N 3.29Å; F347-L349 PolarHBondContact O-N 3.49Å; F347-K350 PolarHBondContact O-N 2.96Å; F347-K350 VanDerWaalsContact O-N 3.08Å; F347-E351 WeakPolarHBondContact CE1-OE2 3.37Å; F347-E351 PolarHBondContact O-N 2.98Å |
| 348 | L | 98.1 | Very high | 97.7 | Very high | 92 Ų | 92 | 103 Ų | 103 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 179.5 | -69.4 | 171.3 | 0 | 0 | 0 | 112.1 | E344 K345 E351 A352 | E344-L348 HydrophobicContact CG-CD1 4.17Å; E344-L348 WeakPolarHBondContact O-CG 3.29Å; E344-L348 PolarHBondContact O-N 3.16Å; K345-L348 PolarHBondContact O-N 2.8Å; L348-E351 PolarHBondContact O-N 3.01Å; L348-A352 VanDerWaalsContact O-CB 3.3Å; L348-A352 WeakPolarHBondContact O-CB 3.27Å; L348-A352 PolarHBondContact O-N 2.63Å |
| 349 | L | 98.1 | Very high | 97.7 | Very high | 106 Ų | 106 | 101.5 Ų | 101.5 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.9 | -40.2 | 174.7 | -177.1 | 60.3 | 0 | 0 | 0 | 111.9 | K345 F347 V353 | K345-L349 VanDerWaalsContact O-CB 3.27Å; K345-L349 WeakPolarHBondContact O-CB 3.42Å; K345-L349 PolarHBondContact O-N 2.82Å; F347-L349 VanDerWaalsContact C-N 3.29Å; F347-L349 PolarHBondContact O-N 3.49Å; L349-V353 VanDerWaalsContact O-CG2 3.29Å; L349-V353 WeakPolarHBondContact O-CG2 3.34Å; L349-V353 PolarHBondContact O-N 2.88Å |
| 350 | K | 97.9 | Very high | 97.7 | Very high | 126 Ų | 126 | 102.6 Ų | 102.6 | 55% | 0.548 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 175.9 | -70.7 | 159.5 | -162.7 | 147.5 | 0 | 111.6 | D346 F347 V353 E354 | D346-K350 WeakPolarHBondContact O-CD 3.17Å; D346-K350 VanDerWaalsContact O-CE 3.3Å; D346-K350 WeakPolarHBondContact O-CE 3.05Å; D346-K350 WeakPolarHBondContact O-CG 3.42Å; D346-K350 PolarHBondContact O-N 2.97Å; D346-K350 PolarHBondContact O-NZ 3.23Å; D346-K350 IonicContact OD2-NZ 3.22Å; D346-K350 PolarHBondContact OD2-NZ 3.4Å; F347-K350 PolarHBondContact O-N 2.96Å; F347-K350 VanDerWaalsContact O-N 3.08Å; K350-V353 PolarHBondContact O-N 2.93Å; K350-E354 PolarHBondContact O-N 3.2Å |
| 351 | E | 97.8 | Very high | 97.7 | Very high | 114 Ų | 114 | 101.2 Ų | 101.2 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 176.5 | -173.7 | 167.8 | -145.6 | 0 | 0 | 111.9 | F347 L348 E354 S355 | F347-E351 WeakPolarHBondContact CE1-OE2 3.37Å; F347-E351 PolarHBondContact O-N 2.98Å; L348-E351 PolarHBondContact O-N 3.01Å; E351-E354 PolarHBondContact O-N 3.34Å; E351-S355 VanDerWaalsContact O-CB 3.24Å; E351-S355 WeakPolarHBondContact O-CB 3.46Å; E351-S355 PolarHBondContact O-N 3.01Å |
| 352 | A | 97.6 | Very high | 97.7 | Very high | 58 Ų | 58 | 100.4 Ų | 100.4 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L348 S355 Q356 | L348-A352 VanDerWaalsContact O-CB 3.3Å; L348-A352 WeakPolarHBondContact O-CB 3.27Å; L348-A352 PolarHBondContact O-N 2.63Å; A352-S355 PolarHBondContact O-N 2.79Å; A352-Q356 WeakPolarHBondContact O-CB 3.48Å; A352-Q356 PolarHBondContact O-N 2.65Å |
| 353 | V | 98.1 | Very high | 97.7 | Very high | 84 Ų | 84 | 103.3 Ų | 103.3 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 177.3 | 167.9 | 0 | 0 | 0 | 0 | 111.8 | L349 K350 Q356 R357 | L349-V353 VanDerWaalsContact O-CG2 3.29Å; L349-V353 WeakPolarHBondContact O-CG2 3.34Å; L349-V353 PolarHBondContact O-N 2.88Å; K350-V353 PolarHBondContact O-N 2.93Å; V353-Q356 PolarHBondContact O-N 3.23Å; V353-R357 WeakPolarHBondContact O-CB 3.47Å; V353-R357 PolarHBondContact O-N 3.21Å |
| 354 | E | 97.4 | Very high | 97.6 | Very high | 96 Ų | 96 | 102.4 Ų | 102.4 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.7 | -36.6 | 177.5 | -165.3 | 60.9 | -151.6 | 0 | 0 | 111.4 | K350 E351 R357 I358 | K350-E354 PolarHBondContact O-N 3.2Å; E351-E354 PolarHBondContact O-N 3.34Å; E354-R357 WeakPolarHBondContact O-CB 3.45Å; E354-R357 PolarHBondContact O-N 3.19Å; E354-R357 WeakPolarHBondContact OE1-CD 3.43Å; E354-I358 HydrophobicContact CG-CD1 4.47Å; E354-I358 VanDerWaalsContact O-CG1 3.31Å; E354-I358 WeakPolarHBondContact O-CG1 3.48Å; E354-I358 PolarHBondContact O-N 2.8Å |
| 355 | S | 96.8 | Very high | 97.6 | Very high | 65 Ų | 65 | 102.3 Ų | 102.3 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 172.2 | -169 | 0 | 0 | 0 | 0 | 112 | E351 A352 R357 I358 C359 | E351-S355 VanDerWaalsContact O-CB 3.24Å; E351-S355 WeakPolarHBondContact O-CB 3.46Å; E351-S355 PolarHBondContact O-N 3.01Å; A352-S355 PolarHBondContact O-N 2.79Å; S355-R357 PolarHBondContact O-N 2.77Å; S355-I358 PolarHBondContact O-N 2.82Å; S355-C359 PolarHBondContact O-N 3.45Å; S355-C359 PolarHBondContact O-SG 2.97Å; S355-C359 VanDerWaalsContact O-SG 3.4Å |
| 356 | Q | 97.8 | Very high | 97.6 | Very high | 114 Ų | 114 | 101.8 Ų | 101.8 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 172.7 | 178.2 | 179.9 | -16.9 | 0 | 0 | 111.4 | A352 V353 I358 C359 E360 | A352-Q356 WeakPolarHBondContact O-CB 3.48Å; A352-Q356 PolarHBondContact O-N 2.65Å; V353-Q356 PolarHBondContact O-N 3.23Å; Q356-I358 VanDerWaalsContact C-N 3.31Å; Q356-I358 PolarHBondContact O-N 2.88Å; Q356-C359 WeakPolarHBondContact O-CB 3.39Å; Q356-C359 PolarHBondContact O-N 3.33Å; Q356-C359 VanDerWaalsContact O-N 3.14Å; Q356-E360 HydrophobicContact CG-CG 4.41Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.23Å; Q356-E360 PolarHBondContact NE2-OE1 3.4Å; Q356-E360 WeakPolarHBondContact O-CG 3.48Å; Q356-E360 PolarHBondContact O-N 3.37Å |
| 357 | R | 98.1 | Very high | 97.6 | Very high | 168 Ų | 168 | 101.4 Ų | 101.4 | 63% | 0.634 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.6 | -42 | 177.4 | -177.9 | -169.8 | -179.5 | 128.2 | 6 | 112.2 | V353 E354 S355 E360 L361 | V353-R357 WeakPolarHBondContact O-CB 3.47Å; V353-R357 PolarHBondContact O-N 3.21Å; E354-R357 WeakPolarHBondContact O-CB 3.45Å; E354-R357 PolarHBondContact O-N 3.19Å; E354-R357 WeakPolarHBondContact OE1-CD 3.43Å; S355-R357 PolarHBondContact O-N 2.77Å; R357-E360 PolarHBondContact O-N 2.92Å; R357-L361 WeakPolarHBondContact O-CB 3.33Å; R357-L361 PolarHBondContact O-N 3.26Å |
| 358 | I | 97.5 | Very high | 97.6 | Very high | 93 Ų | 93 | 100.8 Ų | 100.8 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 175.5 | -68.3 | 163.3 | 0 | 0 | 0 | 110.4 | E354 S355 Q356 E360 L361 M362 | E354-I358 HydrophobicContact CG-CD1 4.47Å; E354-I358 VanDerWaalsContact O-CG1 3.31Å; E354-I358 WeakPolarHBondContact O-CG1 3.48Å; E354-I358 PolarHBondContact O-N 2.8Å; S355-I358 PolarHBondContact O-N 2.82Å; Q356-I358 VanDerWaalsContact C-N 3.31Å; Q356-I358 PolarHBondContact O-N 2.88Å; I358-E360 VanDerWaalsContact C-N 3.35Å; I358-E360 PolarHBondContact O-N 3.45Å; I358-L361 PolarHBondContact O-N 3.38Å; I358-M362 HydrophobicContact CG2-CG 4.45Å; I358-M362 VanDerWaalsContact O-CG 3.31Å; I358-M362 WeakPolarHBondContact O-CG 3.43Å; I358-M362 PolarHBondContact O-N 3.36Å |
| 359 | C | 96.8 | Very high | 97.5 | Very high | 78 Ų | 78 | 101.1 Ų | 101.1 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 176.1 | -70 | 0 | 0 | 0 | 0 | 112.8 | S355 Q356 M362 K363 | S355-C359 PolarHBondContact O-N 3.45Å; S355-C359 PolarHBondContact O-SG 2.97Å; S355-C359 VanDerWaalsContact O-SG 3.4Å; Q356-C359 WeakPolarHBondContact O-CB 3.39Å; Q356-C359 PolarHBondContact O-N 3.33Å; Q356-C359 VanDerWaalsContact O-N 3.14Å; C359-M362 PolarHBondContact O-N 3.36Å; C359-K363 WeakPolarHBondContact O-CB 3.26Å; C359-K363 PolarHBondContact O-N 2.87Å |
| 360 | E | 97.3 | Very high | 97.5 | Very high | 93 Ų | 93 | 101.9 Ų | 101.9 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 176.2 | -74 | 175.3 | -175.7 | 0 | 0 | 112.1 | Q356 R357 I358 K363 Q364 | Q356-E360 HydrophobicContact CG-CG 4.41Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.23Å; Q356-E360 PolarHBondContact NE2-OE1 3.4Å; Q356-E360 WeakPolarHBondContact O-CG 3.48Å; Q356-E360 PolarHBondContact O-N 3.37Å; R357-E360 PolarHBondContact O-N 2.92Å; I358-E360 VanDerWaalsContact C-N 3.35Å; I358-E360 PolarHBondContact O-N 3.45Å; E360-K363 PolarHBondContact O-N 3.44Å; E360-Q364 WeakPolarHBondContact O-CG 3.31Å; E360-Q364 PolarHBondContact O-N 3.44Å |
| 361 | L | 97.9 | Very high | 97.4 | Very high | 88 Ų | 88 | 101.8 Ų | 101.8 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 173.5 | -179.5 | 61.9 | 0 | 0 | 0 | 112 | R357 I358 K363 Q364 Q365 | R357-L361 WeakPolarHBondContact O-CB 3.33Å; R357-L361 PolarHBondContact O-N 3.26Å; I358-L361 PolarHBondContact O-N 3.38Å; L361-K363 VanDerWaalsContact C-N 3.33Å; L361-K363 PolarHBondContact O-N 2.85Å; L361-Q364 PolarHBondContact O-N 2.94Å; L361-Q365 WeakPolarHBondContact O-CG 3.5Å; L361-Q365 PolarHBondContact O-N 2.93Å |
| 362 | M | 97.3 | Very high | 97.4 | Very high | 94 Ų | 94 | 100 Ų | 100 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 174.7 | -70 | -65.4 | 101.9 | 0 | 0 | 111.5 | I358 C359 Q364 Q365 E366 | I358-M362 HydrophobicContact CG2-CG 4.45Å; I358-M362 VanDerWaalsContact O-CG 3.31Å; I358-M362 WeakPolarHBondContact O-CG 3.43Å; I358-M362 PolarHBondContact O-N 3.36Å; C359-M362 PolarHBondContact O-N 3.36Å; M362-Q364 PolarHBondContact O-N 3.12Å; M362-Q365 PolarHBondContact O-N 3.44Å; M362-E366 WeakPolarHBondContact O-CB 3.42Å; M362-E366 PolarHBondContact O-N 3.48Å |
| 363 | K | 97.5 | Very high | 97.3 | Very high | 141 Ų | 141 | 102.6 Ų | 102.6 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -37.2 | 175.6 | -173.6 | -179.9 | -179.5 | -177.8 | 0 | 112.5 | C359 E360 L361 E366 V367 | C359-K363 WeakPolarHBondContact O-CB 3.26Å; C359-K363 PolarHBondContact O-N 2.87Å; E360-K363 PolarHBondContact O-N 3.44Å; L361-K363 VanDerWaalsContact C-N 3.33Å; L361-K363 PolarHBondContact O-N 2.85Å; K363-E366 PolarHBondContact O-N 3.46Å; K363-V367 WeakPolarHBondContact O-CG2 3.33Å; K363-V367 PolarHBondContact O-N 3.02Å |
| 364 | Q | 97.8 | Very high | 97.2 | Very high | 129 Ų | 129 | 102.4 Ų | 102.4 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -42.6 | 172.6 | -71.7 | 172.9 | 19.1 | 0 | 0 | 111.6 | E360 L361 M362 V367 H368 | E360-Q364 WeakPolarHBondContact O-CG 3.31Å; E360-Q364 PolarHBondContact O-N 3.44Å; L361-Q364 PolarHBondContact O-N 2.94Å; M362-Q364 PolarHBondContact O-N 3.12Å; Q364-V367 PolarHBondContact O-N 3.02Å; Q364-H368 PolarHBondContact O-N 3.46Å |
| 365 | Q | 97.5 | Very high | 97.2 | Very high | 97 Ų | 97 | 102.1 Ų | 102.1 | 45% | 0.453 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 174.5 | -69.3 | -178.6 | 7 | 0 | 0 | 112.1 | L361 M362 V367 H368 L369 | L361-Q365 WeakPolarHBondContact O-CG 3.5Å; L361-Q365 PolarHBondContact O-N 2.93Å; M362-Q365 PolarHBondContact O-N 3.44Å; Q365-V367 PolarHBondContact O-N 3.04Å; Q365-H368 PolarHBondContact O-N 3.48Å; Q365-L369 WeakPolarHBondContact O-CB 3.49Å; Q365-L369 VanDerWaalsContact O-CG 3.32Å; Q365-L369 WeakPolarHBondContact O-CG 3.28Å; Q365-L369 PolarHBondContact O-N 3.03Å |
| 366 | E | 96.8 | Very high | 97.2 | Very high | 96 Ų | 96 | 105.8 Ų | 105.8 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 175.1 | -167.5 | -156.1 | 149.6 | 0 | 0 | 111.6 | M362 K363 L369 K370 | M362-E366 WeakPolarHBondContact O-CB 3.42Å; M362-E366 PolarHBondContact O-N 3.48Å; K363-E366 PolarHBondContact O-N 3.46Å; E366-L369 PolarHBondContact O-N 3.49Å; E366-K370 HydrophobicContact CG-CD 4.4Å; E366-K370 WeakPolarHBondContact O-CB 3.33Å; E366-K370 WeakPolarHBondContact O-CG 3.45Å; E366-K370 PolarHBondContact O-N 3.35Å; E366-K370 VanDerWaalsContact OE1-CE 3.28Å; E366-K370 WeakPolarHBondContact OE1-CE 3.35Å; E366-K370 IonicContact OE1-NZ 3.93Å; E366-K370 PolarHBondContact OE1-NZ 3.46Å |
| 367 | V | 97.6 | Very high | 97.2 | Very high | 70 Ų | 70 | 103.9 Ų | 103.9 | 42% | 0.424 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.9 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | K363 Q364 Q365 K370 Q371 | K363-V367 WeakPolarHBondContact O-CG2 3.33Å; K363-V367 PolarHBondContact O-N 3.02Å; Q364-V367 PolarHBondContact O-N 3.02Å; Q365-V367 PolarHBondContact O-N 3.04Å; V367-K370 PolarHBondContact O-N 3.44Å; V367-Q371 WeakPolarHBondContact O-CG 3.44Å; V367-Q371 PolarHBondContact O-N 3.35Å |
| 368 | H | 97.5 | Very high | 97.1 | Very high | 115 Ų | 115 | 101 Ų | 101 | 53% | 0.532 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.8 | -179 | -82.8 | 0 | 0 | 0 | 112.1 | Q364 Q365 K370 Q371 Q372 | Q364-H368 PolarHBondContact O-N 3.46Å; Q365-H368 PolarHBondContact O-N 3.48Å; H368-K370 VanDerWaalsContact C-N 3.35Å; H368-K370 PolarHBondContact O-N 2.77Å; H368-Q371 WeakPolarHBondContact O-CB 3.26Å; H368-Q371 PolarHBondContact O-N 3.45Å; H368-Q372 PolarHBondContact O-N 3.04Å |
| 369 | L | 97.3 | Very high | 97 | Very high | 98 Ų | 98 | 100 Ų | 100 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | 175.8 | -72 | 169.1 | 0 | 0 | 0 | 111.9 | Q365 E366 Q372 L373 | Q365-L369 WeakPolarHBondContact O-CB 3.49Å; Q365-L369 VanDerWaalsContact O-CG 3.32Å; Q365-L369 WeakPolarHBondContact O-CG 3.28Å; Q365-L369 PolarHBondContact O-N 3.03Å; E366-L369 PolarHBondContact O-N 3.49Å; L369-Q372 PolarHBondContact O-N 3.23Å; L369-L373 WeakPolarHBondContact O-CB 3.29Å; L369-L373 WeakPolarHBondContact O-CG 3.48Å; L369-L373 PolarHBondContact O-N 2.9Å |
| 370 | K | 97.1 | Very high | 97 | Very high | 122 Ų | 122 | 102.7 Ų | 102.7 | 53% | 0.53 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 172.5 | -79 | 172.6 | 168.8 | 176.4 | 0 | 112.6 | E366 V367 H368 L373 S374 | E366-K370 HydrophobicContact CG-CD 4.4Å; E366-K370 WeakPolarHBondContact O-CB 3.33Å; E366-K370 WeakPolarHBondContact O-CG 3.45Å; E366-K370 PolarHBondContact O-N 3.35Å; E366-K370 VanDerWaalsContact OE1-CE 3.28Å; E366-K370 WeakPolarHBondContact OE1-CE 3.35Å; E366-K370 IonicContact OE1-NZ 3.93Å; E366-K370 PolarHBondContact OE1-NZ 3.46Å; V367-K370 PolarHBondContact O-N 3.44Å; H368-K370 VanDerWaalsContact C-N 3.35Å; H368-K370 PolarHBondContact O-N 2.77Å; K370-L373 PolarHBondContact O-N 2.73Å; K370-S374 WeakPolarHBondContact O-CB 3.29Å; K370-S374 PolarHBondContact O-N 2.9Å |
| 371 | Q | 97.4 | Very high | 96.9 | Very high | 124 Ų | 124 | 103.8 Ų | 103.8 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 173.2 | -73 | 169.7 | -10.7 | 0 | 0 | 111.5 | V367 H368 S374 L375 | V367-Q371 WeakPolarHBondContact O-CG 3.44Å; V367-Q371 PolarHBondContact O-N 3.35Å; H368-Q371 WeakPolarHBondContact O-CB 3.26Å; H368-Q371 PolarHBondContact O-N 3.45Å; Q371-S374 WeakPolarHBondContact O-CB 3.19Å; Q371-S374 PolarHBondContact O-N 2.92Å; Q371-L375 WeakPolarHBondContact O-CB 3.4Å; Q371-L375 PolarHBondContact O-N 2.87Å |
| 372 | Q | 96.6 | Very high | 96.7 | Very high | 76 Ų | 76 | 104 Ų | 104 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.9 | -171.6 | 177.3 | 9.5 | 0 | 0 | 112.2 | H368 L369 L375 Y376 | H368-Q372 PolarHBondContact O-N 3.04Å; L369-Q372 PolarHBondContact O-N 3.23Å; Q372-L375 PolarHBondContact O-N 2.96Å; Q372-Y376 HydrophobicContact CG-CD2 3.97Å; Q372-Y376 HydrophobicContact CG-CE2 3.56Å; Q372-Y376 PolarHBondContact NE2-OH 3.29Å; Q372-Y376 VanDerWaalsContact O-CD2 3.25Å; Q372-Y376 WeakPolarHBondContact O-CD2 3.38Å; Q372-Y376 PolarHBondContact O-N 2.9Å |
| 373 | L | 96.1 | Very high | 96.5 | Very high | 114 Ų | 114 | 106.5 Ų | 106.5 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.1 | -45.6 | 171.9 | -76.2 | 167.8 | 0 | 0 | 0 | 111.5 | L369 K370 L375 Y376 T377 | L369-L373 WeakPolarHBondContact O-CB 3.29Å; L369-L373 WeakPolarHBondContact O-CG 3.48Å; L369-L373 PolarHBondContact O-N 2.9Å; K370-L373 PolarHBondContact O-N 2.73Å; L373-L375 VanDerWaalsContact C-N 3.33Å; L373-L375 PolarHBondContact O-N 3.02Å; L373-Y376 PolarHBondContact O-N 3.29Å; L373-T377 PolarHBondContact O-N 3.17Å; L373-T377 PolarHBondContact O-OG1 2.91Å |
| 374 | S | 96.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 105 Ų | 105 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.6 | -42.1 | 177.1 | -165.4 | 0 | 0 | 0 | 0 | 112.2 | K370 Q371 T377 E378 | K370-S374 WeakPolarHBondContact O-CB 3.29Å; K370-S374 PolarHBondContact O-N 2.9Å; Q371-S374 WeakPolarHBondContact O-CB 3.19Å; Q371-S374 PolarHBondContact O-N 2.92Å; S374-T377 WeakPolarHBondContact O-CB 3.25Å; S374-T377 PolarHBondContact O-N 3.46Å; S374-E378 PolarHBondContact O-N 3.45Å |
| 375 | L | 97.1 | Very high | 96.2 | Very high | 90 Ų | 90 | 102 Ų | 102 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 177.3 | -179.5 | 147.2 | 0 | 0 | 0 | 112 | Q371 Q372 L373 K379 | Q371-L375 WeakPolarHBondContact O-CB 3.4Å; Q371-L375 PolarHBondContact O-N 2.87Å; Q372-L375 PolarHBondContact O-N 2.96Å; L373-L375 VanDerWaalsContact C-N 3.33Å; L373-L375 PolarHBondContact O-N 3.02Å; L375-K379 HydrophobicContact CD2-CG 4.32Å; L375-K379 WeakPolarHBondContact O-CB 3.45Å; L375-K379 WeakPolarHBondContact O-CG 3.34Å; L375-K379 PolarHBondContact O-N 3.35Å |
| 376 | Y | 97.1 | Very high | 96 | Very high | 143 Ų | 143 | 101.5 Ų | 101.5 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.8 | -32.9 | 172.7 | -72.5 | -48.9 | 0 | 0 | 0 | 112.8 | Q372 L373 F380 | Q372-Y376 HydrophobicContact CG-CD2 3.97Å; Q372-Y376 HydrophobicContact CG-CE2 3.56Å; Q372-Y376 PolarHBondContact NE2-OH 3.29Å; Q372-Y376 VanDerWaalsContact O-CD2 3.25Å; Q372-Y376 WeakPolarHBondContact O-CD2 3.38Å; Q372-Y376 PolarHBondContact O-N 2.9Å; L373-Y376 PolarHBondContact O-N 3.29Å; Y376-F380 WeakPolarHBondContact O-CB 3.48Å; Y376-F380 PolarHBondContact O-N 2.92Å |
| 377 | T | 96.9 | Very high | 95.9 | Very high | 74 Ų | 74 | 102.8 Ų | 102.8 | 45% | 0.454 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -50.2 | 172.2 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | L373 S374 K379 F380 E381 | L373-T377 PolarHBondContact O-N 3.17Å; L373-T377 PolarHBondContact O-OG1 2.91Å; S374-T377 WeakPolarHBondContact O-CB 3.25Å; S374-T377 PolarHBondContact O-N 3.46Å; T377-K379 VanDerWaalsContact C-N 3.32Å; T377-K379 PolarHBondContact O-N 3Å; T377-F380 WeakPolarHBondContact O-CA 3.47Å; T377-F380 WeakPolarHBondContact O-CB 3.35Å; T377-F380 PolarHBondContact O-N 3.39Å; T377-E381 WeakPolarHBondContact O-CG 3.45Å; T377-E381 PolarHBondContact O-N 2.69Å |
| 378 | E | 95.8 | Very high | 95.7 | Very high | 106 Ų | 106 | 102.9 Ų | 102.9 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.8 | -44.7 | 175.1 | -179.2 | -174.6 | -138 | 0 | 0 | 111.4 | S374 F380 E381 E382 | S374-E378 PolarHBondContact O-N 3.45Å; E378-F380 VanDerWaalsContact C-N 3.32Å; E378-F380 PolarHBondContact O-N 3.19Å; E378-E381 PolarHBondContact O-N 3.45Å; E378-E382 WeakPolarHBondContact O-CG 3.31Å; E378-E382 PolarHBondContact O-N 3.47Å |
| 379 | K | 95.9 | Very high | 95.5 | Very high | 73 Ų | 73 | 103.4 Ų | 103.4 | 32% | 0.317 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -35.4 | 175.2 | -71 | -78.8 | 154 | -72 | 0 | 112.5 | L375 T377 E382 F383 | L375-K379 HydrophobicContact CD2-CG 4.32Å; L375-K379 WeakPolarHBondContact O-CB 3.45Å; L375-K379 WeakPolarHBondContact O-CG 3.34Å; L375-K379 PolarHBondContact O-N 3.35Å; T377-K379 VanDerWaalsContact C-N 3.32Å; T377-K379 PolarHBondContact O-N 3Å; K379-E382 VanDerWaalsContact CD-OE2 3.32Å; K379-E382 WeakPolarHBondContact CD-OE2 3.36Å; K379-E382 WeakPolarHBondContact CE-OE2 3.32Å; K379-E382 IonicContact NZ-OE1 2.65Å; K379-E382 PolarHBondContact NZ-OE1 3.34Å; K379-E382 IonicContact NZ-OE2 3.68Å; K379-E382 PolarHBondContact NZ-OE2 3.3Å; K379-F383 WeakPolarHBondContact O-CD2 3.43Å; K379-F383 PolarHBondContact O-N 3.46Å |
| 380 | F | 95.5 | Very high | 95.2 | Very high | 134 Ų | 134 | 101.2 Ų | 101.2 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.6 | -40.4 | 173.8 | -172.1 | -91 | 0 | 0 | 0 | 111.8 | Y376 T377 E378 F383 Q384 | Y376-F380 WeakPolarHBondContact O-CB 3.48Å; Y376-F380 PolarHBondContact O-N 2.92Å; T377-F380 WeakPolarHBondContact O-CA 3.47Å; T377-F380 WeakPolarHBondContact O-CB 3.35Å; T377-F380 PolarHBondContact O-N 3.39Å; E378-F380 VanDerWaalsContact C-N 3.32Å; E378-F380 PolarHBondContact O-N 3.19Å; F380-F383 PolarHBondContact O-N 2.73Å; F380-Q384 WeakPolarHBondContact O-CB 3.47Å; F380-Q384 PolarHBondContact O-N 2.7Å |
| 381 | E | 95.1 | Very high | 95.1 | Very high | 117 Ų | 117 | 100.3 Ų | 100.3 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 174.3 | -70.8 | 178.2 | -170.9 | 0 | 0 | 112.2 | T377 E378 Q384 T385 | T377-E381 WeakPolarHBondContact O-CG 3.45Å; T377-E381 PolarHBondContact O-N 2.69Å; E378-E381 PolarHBondContact O-N 3.45Å; E381-Q384 PolarHBondContact O-N 3.39Å; E381-T385 WeakPolarHBondContact O-CB 3.34Å; E381-T385 PolarHBondContact O-N 3.35Å; E381-T385 PolarHBondContact O-OG1 2.8Å |
| 382 | E | 93.9 | Very high | 94.9 | Very high | 91 Ų | 91 | 100.5 Ų | 100.5 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 169 | -78.8 | 175.6 | -171.8 | 0 | 0 | 111.8 | E378 K379 T385 T386 | E378-E382 WeakPolarHBondContact O-CG 3.31Å; E378-E382 PolarHBondContact O-N 3.47Å; K379-E382 VanDerWaalsContact CD-OE2 3.32Å; K379-E382 WeakPolarHBondContact CD-OE2 3.36Å; K379-E382 WeakPolarHBondContact CE-OE2 3.32Å; K379-E382 IonicContact NZ-OE1 2.65Å; K379-E382 PolarHBondContact NZ-OE1 3.34Å; K379-E382 IonicContact NZ-OE2 3.68Å; K379-E382 PolarHBondContact NZ-OE2 3.3Å; E382-T385 PolarHBondContact O-N 2.98Å; E382-T386 VanDerWaalsContact O-CB 3.27Å; E382-T386 WeakPolarHBondContact O-CB 3.42Å; E382-T386 PolarHBondContact O-N 3.3Å; E382-T386 PolarHBondContact O-OG1 3.46Å |
| 383 | F | 94.6 | Very high | 94.7 | Very high | 148 Ų | 148 | 101.2 Ų | 101.2 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -44 | 177 | -81.6 | -57.8 | 0 | 0 | 0 | 111.7 | K379 F380 T386 L387 | K379-F383 WeakPolarHBondContact O-CD2 3.43Å; K379-F383 PolarHBondContact O-N 3.46Å; F380-F383 PolarHBondContact O-N 2.73Å; F383-T386 PolarHBondContact O-N 2.99Å; F383-L387 VanDerWaalsContact O-CB 3.26Å; F383-L387 WeakPolarHBondContact O-CB 3.48Å; F383-L387 PolarHBondContact O-N 3.48Å |
| 384 | Q | 94.5 | Very high | 94.5 | Very high | 108 Ų | 108 | 102.8 Ų | 102.8 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 179.5 | -167.8 | 166 | 21.9 | 0 | 0 | 111.1 | F380 E381 T386 L387 S388 | F380-Q384 WeakPolarHBondContact O-CB 3.47Å; F380-Q384 PolarHBondContact O-N 2.7Å; E381-Q384 PolarHBondContact O-N 3.39Å; Q384-T386 PolarHBondContact O-N 3.24Å; Q384-L387 PolarHBondContact O-N 3.39Å; Q384-S388 WeakPolarHBondContact O-CB 3.39Å; Q384-S388 PolarHBondContact O-N 2.9Å; Q384-S388 PolarHBondContact O-OG 2.82Å; Q384-S388 VanDerWaalsContact O-OG 3.05Å |
| 385 | T | 93.8 | Very high | 94.3 | Very high | 67 Ų | 67 | 102.1 Ų | 102.1 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 172.3 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | E381 E382 S388 K389 | E381-T385 WeakPolarHBondContact O-CB 3.34Å; E381-T385 PolarHBondContact O-N 3.35Å; E381-T385 PolarHBondContact O-OG1 2.8Å; E382-T385 PolarHBondContact O-N 2.98Å; T385-S388 PolarHBondContact O-N 2.87Å; T385-K389 HydrophobicContact CG2-CD 4.14Å; T385-K389 WeakPolarHBondContact O-CG 3.11Å; T385-K389 PolarHBondContact O-N 3.31Å |
| 386 | T | 93.8 | Very high | 94 | Very high | 87 Ų | 87 | 101 Ų | 101 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 179.1 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | E382 F383 Q384 K389 S390 | E382-T386 VanDerWaalsContact O-CB 3.27Å; E382-T386 WeakPolarHBondContact O-CB 3.42Å; E382-T386 PolarHBondContact O-N 3.3Å; E382-T386 PolarHBondContact O-OG1 3.46Å; F383-T386 PolarHBondContact O-N 2.99Å; Q384-T386 PolarHBondContact O-N 3.24Å; T386-K389 PolarHBondContact O-N 2.84Å; T386-S390 VanDerWaalsContact O-CB 3.27Å; T386-S390 WeakPolarHBondContact O-CB 3.43Å; T386-S390 PolarHBondContact O-N 2.86Å |
| 387 | L | 93.8 | Very high | 93.8 | Very high | 122 Ų | 122 | 100.8 Ų | 100.8 | 64% | 0.639 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 173.8 | -177.1 | 64 | 0 | 0 | 0 | 111.5 | F383 Q384 S390 N391 | F383-L387 VanDerWaalsContact O-CB 3.26Å; F383-L387 WeakPolarHBondContact O-CB 3.48Å; F383-L387 PolarHBondContact O-N 3.48Å; Q384-L387 PolarHBondContact O-N 3.39Å; L387-S390 PolarHBondContact O-N 3.09Å; L387-N391 WeakPolarHBondContact O-CB 3.46Å; L387-N391 PolarHBondContact O-N 2.92Å |
| 388 | S | 93.4 | Very high | 93.6 | Very high | 73 Ų | 73 | 103.5 Ų | 103.5 | 51% | 0.51 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 174.7 | -66.7 | 0 | 0 | 0 | 0 | 112 | Q384 T385 S390 N391 E392 | Q384-S388 WeakPolarHBondContact O-CB 3.39Å; Q384-S388 PolarHBondContact O-N 2.9Å; Q384-S388 PolarHBondContact O-OG 2.82Å; Q384-S388 VanDerWaalsContact O-OG 3.05Å; T385-S388 PolarHBondContact O-N 2.87Å; S388-S390 VanDerWaalsContact C-N 3.33Å; S388-S390 PolarHBondContact O-N 3.39Å; S388-N391 PolarHBondContact O-N 3.29Å; S388-E392 PolarHBondContact O-N 2.97Å |
| 389 | K | 93.3 | Very high | 93.4 | Very high | 126 Ų | 126 | 103.1 Ų | 103.1 | 55% | 0.548 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 174.6 | -72 | 168.3 | -179.4 | 173.1 | 0 | 112 | T385 T386 E392 V393 | T385-K389 HydrophobicContact CG2-CD 4.14Å; T385-K389 WeakPolarHBondContact O-CG 3.11Å; T385-K389 PolarHBondContact O-N 3.31Å; T386-K389 PolarHBondContact O-N 2.84Å; K389-E392 WeakPolarHBondContact O-CB 3.39Å; K389-E392 PolarHBondContact O-N 3.25Å; K389-V393 WeakPolarHBondContact O-CG2 3.42Å; K389-V393 PolarHBondContact O-N 2.98Å |
| 390 | S | 92.2 | Very high | 93.2 | Very high | 51 Ų | 51 | 105.1 Ų | 105.1 | 36% | 0.357 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 175.8 | -176 | 0 | 0 | 0 | 0 | 111.6 | T386 L387 S388 E392 V393 F394 | T386-S390 VanDerWaalsContact O-CB 3.27Å; T386-S390 WeakPolarHBondContact O-CB 3.43Å; T386-S390 PolarHBondContact O-N 2.86Å; L387-S390 PolarHBondContact O-N 3.09Å; S388-S390 VanDerWaalsContact C-N 3.33Å; S388-S390 PolarHBondContact O-N 3.39Å; S390-E392 VanDerWaalsContact C-N 3.33Å; S390-E392 PolarHBondContact O-N 3.1Å; S390-V393 PolarHBondContact O-N 3.44Å; S390-F394 WeakPolarHBondContact O-CD2 3.32Å; S390-F394 PolarHBondContact O-N 2.93Å |
| 391 | N | 93.7 | Very high | 92.9 | Very high | 104 Ų | 104 | 104 Ų | 104 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.4 | -33.3 | 177.3 | -170 | 53 | 0 | 0 | 0 | 112.7 | L387 S388 T395 | L387-N391 WeakPolarHBondContact O-CB 3.46Å; L387-N391 PolarHBondContact O-N 2.92Å; S388-N391 PolarHBondContact O-N 3.29Å; N391-T395 WeakPolarHBondContact O-CB 3.32Å; N391-T395 PolarHBondContact O-N 3.48Å; N391-T395 PolarHBondContact O-OG1 2.91Å |
| 392 | E | 92.9 | Very high | 92.8 | Very high | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -47.3 | 169.5 | -176 | 176.9 | -162.4 | 0 | 0 | 111.3 | S388 K389 S390 F394 T395 T396 | S388-E392 PolarHBondContact O-N 2.97Å; K389-E392 WeakPolarHBondContact O-CB 3.39Å; K389-E392 PolarHBondContact O-N 3.25Å; S390-E392 VanDerWaalsContact C-N 3.33Å; S390-E392 PolarHBondContact O-N 3.1Å; E392-F394 PolarHBondContact O-N 3.12Å; E392-T395 CarbonylContact O-C 3.59Å; E392-T395 WeakPolarHBondContact O-CA 3.43Å; E392-T395 WeakPolarHBondContact O-CB 3.44Å; E392-T395 PolarHBondContact O-N 3.42Å; E392-T396 PolarHBondContact O-N 3.43Å; E392-T396 PolarHBondContact O-OG1 2.91Å |
| 393 | V | 93.4 | Very high | 92.7 | Very high | 91 Ų | 91 | 103.6 Ų | 103.6 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 175.2 | 171 | 0 | 0 | 0 | 0 | 112.1 | K389 S390 T395 T396 F397 | K389-V393 WeakPolarHBondContact O-CG2 3.42Å; K389-V393 PolarHBondContact O-N 2.98Å; S390-V393 PolarHBondContact O-N 3.44Å; V393-T395 VanDerWaalsContact C-N 3.26Å; V393-T395 PolarHBondContact O-N 3.4Å; V393-T396 WeakPolarHBondContact CA-OG1 3.34Å; V393-T396 PolarHBondContact O-N 3.48Å; V393-T396 PolarHBondContact O-OG1 3.32Å; V393-T396 VanDerWaalsContact O-OG1 3.07Å; V393-F397 VanDerWaalsContact O-CB 3.23Å; V393-F397 WeakPolarHBondContact O-CB 3.46Å; V393-F397 PolarHBondContact O-N 3.17Å |
| 394 | F | 91 | Very high | 92.6 | Very high | 147 Ų | 147 | 102.2 Ų | 102.2 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -37.2 | 171.7 | -83.5 | -66.8 | 0 | 0 | 0 | 112 | S390 E392 K398 | S390-F394 WeakPolarHBondContact O-CD2 3.32Å; S390-F394 PolarHBondContact O-N 2.93Å; E392-F394 PolarHBondContact O-N 3.12Å; F394-K398 VanDerWaalsContact O-CB 3.25Å; F394-K398 WeakPolarHBondContact O-CB 3.38Å; F394-K398 PolarHBondContact O-N 2.93Å |
| 395 | T | 92.4 | Very high | 92.4 | Very high | 65 Ų | 65 | 99.7 Ų | 99.7 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -44.8 | 178.6 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | N391 E392 V393 Q399 | N391-T395 WeakPolarHBondContact O-CB 3.32Å; N391-T395 PolarHBondContact O-N 3.48Å; N391-T395 PolarHBondContact O-OG1 2.91Å; E392-T395 CarbonylContact O-C 3.59Å; E392-T395 WeakPolarHBondContact O-CA 3.43Å; E392-T395 WeakPolarHBondContact O-CB 3.44Å; E392-T395 PolarHBondContact O-N 3.42Å; V393-T395 VanDerWaalsContact C-N 3.26Å; V393-T395 PolarHBondContact O-N 3.4Å; T395-Q399 WeakPolarHBondContact O-CG 3.37Å; T395-Q399 PolarHBondContact O-N 3.25Å |
| 396 | T | 91.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 102.6 Ų | 102.6 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -45.8 | 176 | 57 | 0 | 0 | 0 | 0 | 111.2 | E392 V393 K398 Q399 E400 | E392-T396 PolarHBondContact O-N 3.43Å; E392-T396 PolarHBondContact O-OG1 2.91Å; V393-T396 WeakPolarHBondContact CA-OG1 3.34Å; V393-T396 PolarHBondContact O-N 3.48Å; V393-T396 PolarHBondContact O-OG1 3.32Å; V393-T396 VanDerWaalsContact O-OG1 3.07Å; T396-K398 VanDerWaalsContact C-N 3.3Å; T396-K398 PolarHBondContact O-N 3.4Å; T396-Q399 CarbonylContact O-C 3.59Å; T396-Q399 WeakPolarHBondContact O-CA 3.42Å; T396-Q399 WeakPolarHBondContact O-CB 3.26Å; T396-Q399 PolarHBondContact O-N 3.16Å; T396-E400 WeakPolarHBondContact O-CG 3.35Å; T396-E400 PolarHBondContact O-N 3.44Å |
| 397 | F | 92.1 | Very high | 92.3 | Very high | 139 Ų | 139 | 105.1 Ų | 105.1 | 61% | 0.61 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -37.4 | 177.9 | -159.8 | -88.4 | 0 | 0 | 0 | 112.2 | V393 E400 M401 | V393-F397 VanDerWaalsContact O-CB 3.23Å; V393-F397 WeakPolarHBondContact O-CB 3.46Å; V393-F397 PolarHBondContact O-N 3.17Å; F397-E400 PolarHBondContact O-N 3.42Å; F397-M401 WeakPolarHBondContact O-CB 3.32Å; F397-M401 PolarHBondContact O-N 2.87Å |
| 398 | K | 93.4 | Very high | 92 | Very high | 132 Ų | 132 | 103.2 Ų | 103.2 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.5 | -46.5 | 170.6 | -179 | -175.8 | 174.2 | -174.4 | 0 | 111.9 | F394 T396 E400 M401 E402 | F394-K398 VanDerWaalsContact O-CB 3.25Å; F394-K398 WeakPolarHBondContact O-CB 3.38Å; F394-K398 PolarHBondContact O-N 2.93Å; T396-K398 VanDerWaalsContact C-N 3.3Å; T396-K398 PolarHBondContact O-N 3.4Å; K398-E400 VanDerWaalsContact C-N 3.29Å; K398-E400 PolarHBondContact O-N 3.47Å; K398-M401 PolarHBondContact O-N 2.86Å; K398-E402 PolarHBondContact O-N 3.25Å |
| 399 | Q | 92.6 | Very high | 91.9 | Very high | 97 Ų | 97 | 105.8 Ų | 105.8 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 176.2 | -69.8 | 175.9 | 27.8 | 0 | 0 | 112.1 | T395 T396 E402 K403 | T395-Q399 WeakPolarHBondContact O-CG 3.37Å; T395-Q399 PolarHBondContact O-N 3.25Å; T396-Q399 CarbonylContact O-C 3.59Å; T396-Q399 WeakPolarHBondContact O-CA 3.42Å; T396-Q399 WeakPolarHBondContact O-CB 3.26Å; T396-Q399 PolarHBondContact O-N 3.16Å; Q399-E402 PolarHBondContact O-N 3Å; Q399-K403 VanDerWaalsContact O-CG 3.24Å; Q399-K403 WeakPolarHBondContact O-CG 3.35Å; Q399-K403 PolarHBondContact O-N 3.04Å |
| 400 | E | 89.9 | Confident | 91.8 | Very high | 115 Ų | 115 | 105.9 Ų | 105.9 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.8 | -42.9 | 175.2 | -66.8 | -154.5 | 141.3 | 0 | 0 | 112.5 | T396 F397 K398 E402 K403 M404 | T396-E400 WeakPolarHBondContact O-CG 3.35Å; T396-E400 PolarHBondContact O-N 3.44Å; F397-E400 PolarHBondContact O-N 3.42Å; K398-E400 VanDerWaalsContact C-N 3.29Å; K398-E400 PolarHBondContact O-N 3.47Å; E400-E402 VanDerWaalsContact C-N 3.26Å; E400-E402 PolarHBondContact O-N 3.43Å; E400-K403 PolarHBondContact O-N 3.31Å; E400-K403 VanDerWaalsContact O-N 3.15Å; E400-M404 VanDerWaalsContact O-CB 3.3Å; E400-M404 WeakPolarHBondContact O-CB 3.43Å; E400-M404 PolarHBondContact O-N 2.87Å |
| 401 | M | 90.3 | Very high | 91.5 | Very high | 110 Ų | 110 | 107.7 Ų | 107.7 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -38.4 | 173.1 | -164.4 | -171 | 78.2 | 0 | 0 | 111.1 | F397 K398 M404 T405 | F397-M401 WeakPolarHBondContact O-CB 3.32Å; F397-M401 PolarHBondContact O-N 2.87Å; K398-M401 PolarHBondContact O-N 2.86Å; M401-M404 PolarHBondContact O-N 3.49Å; M401-T405 WeakPolarHBondContact O-CB 3.39Å; M401-T405 PolarHBondContact O-N 3.35Å; M401-T405 PolarHBondContact O-OG1 2.91Å |
| 402 | E | 92 | Very high | 91.3 | Very high | 75 Ų | 75 | 108 Ų | 108 | 35% | 0.35 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 171.7 | -80.2 | -171 | -142.9 | 0 | 0 | 113.2 | K398 Q399 E400 M404 T405 K406 | K398-E402 PolarHBondContact O-N 3.25Å; Q399-E402 PolarHBondContact O-N 3Å; E400-E402 VanDerWaalsContact C-N 3.26Å; E400-E402 PolarHBondContact O-N 3.43Å; E402-M404 VanDerWaalsContact C-N 3.32Å; E402-T405 PolarHBondContact O-N 3.02Å; E402-K406 WeakPolarHBondContact O-CB 3.43Å; E402-K406 VanDerWaalsContact O-CD 3.29Å; E402-K406 WeakPolarHBondContact O-CD 3.42Å; E402-K406 WeakPolarHBondContact O-CG 3.24Å; E402-K406 PolarHBondContact O-N 2.85Å; E402-K406 IonicContact OE2-NZ 2.62Å; E402-K406 PolarHBondContact OE2-NZ 3.23Å |
| 403 | K | 92.5 | Very high | 91.2 | Very high | 125 Ų | 125 | 109.7 Ų | 109.7 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 174.5 | -72.5 | 164.2 | -171.7 | 168.7 | 0 | 110.7 | Q399 E400 K406 K407 | Q399-K403 VanDerWaalsContact O-CG 3.24Å; Q399-K403 WeakPolarHBondContact O-CG 3.35Å; Q399-K403 PolarHBondContact O-N 3.04Å; E400-K403 PolarHBondContact O-N 3.31Å; E400-K403 VanDerWaalsContact O-N 3.15Å; K403-K406 PolarHBondContact O-N 2.86Å; K403-K407 WeakPolarHBondContact O-CB 3.29Å; K403-K407 PolarHBondContact O-N 2.98Å |
| 404 | M | 91.6 | Very high | 90.9 | Very high | 119 Ų | 119 | 108.6 Ų | 108.6 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -45.2 | 177 | -167.5 | -175.9 | -62.6 | 0 | 0 | 111.3 | E400 M401 E402 K406 K407 I408 | E400-M404 VanDerWaalsContact O-CB 3.3Å; E400-M404 WeakPolarHBondContact O-CB 3.43Å; E400-M404 PolarHBondContact O-N 2.87Å; M401-M404 PolarHBondContact O-N 3.49Å; E402-M404 VanDerWaalsContact C-N 3.32Å; M404-K406 VanDerWaalsContact C-N 3.31Å; M404-K406 PolarHBondContact O-N 2.84Å; M404-K407 CarbonylContact O-C 3.59Å; M404-K407 WeakPolarHBondContact O-CA 3.45Å; M404-K407 WeakPolarHBondContact O-CB 3.44Å; M404-K407 PolarHBondContact O-N 3.43Å; M404-K407 VanDerWaalsContact O-N 3.08Å; M404-I408 HydrophobicContact CG-CD1 4.22Å; M404-I408 WeakPolarHBondContact O-CG1 3.49Å; M404-I408 PolarHBondContact O-N 2.91Å |
| 405 | T | 91.4 | Very high | 90.8 | Very high | 56 Ų | 56 | 105.2 Ų | 105.2 | 34% | 0.344 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 173.7 | -58 | 0 | 0 | 0 | 0 | 111.7 | M401 E402 K409 | M401-T405 WeakPolarHBondContact O-CB 3.39Å; M401-T405 PolarHBondContact O-N 3.35Å; M401-T405 PolarHBondContact O-OG1 2.91Å; E402-T405 PolarHBondContact O-N 3.02Å; T405-K409 HydrophobicContact CG2-CD 4.41Å; T405-K409 WeakPolarHBondContact O-CB 3.23Å; T405-K409 WeakPolarHBondContact O-CG 3.49Å; T405-K409 PolarHBondContact O-N 3.13Å |
| 406 | K | 92.9 | Very high | 90.5 | Very high | 128 Ų | 128 | 104.1 Ų | 104.1 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.2 | -37.2 | 174.5 | -69.2 | 157.4 | -166.6 | 163.7 | 0 | 111.3 | E402 K403 M404 K410 | E402-K406 WeakPolarHBondContact O-CB 3.43Å; E402-K406 VanDerWaalsContact O-CD 3.29Å; E402-K406 WeakPolarHBondContact O-CD 3.42Å; E402-K406 WeakPolarHBondContact O-CG 3.24Å; E402-K406 PolarHBondContact O-N 2.85Å; E402-K406 IonicContact OE2-NZ 2.62Å; E402-K406 PolarHBondContact OE2-NZ 3.23Å; K403-K406 PolarHBondContact O-N 2.86Å; M404-K406 VanDerWaalsContact C-N 3.31Å; M404-K406 PolarHBondContact O-N 2.84Å; K406-K410 PolarHBondContact O-N 3.01Å; K406-K410 VanDerWaalsContact O-N 3.13Å |
| 407 | K | 91.4 | Very high | 90.5 | Very high | 140 Ų | 140 | 106.1 Ų | 106.1 | 61% | 0.609 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.2 | -41.6 | 175.7 | -169.1 | 176.1 | -179.1 | -179.1 | 0 | 112.6 | K403 M404 K410 L411 | K403-K407 WeakPolarHBondContact O-CB 3.29Å; K403-K407 PolarHBondContact O-N 2.98Å; M404-K407 CarbonylContact O-C 3.59Å; M404-K407 WeakPolarHBondContact O-CA 3.45Å; M404-K407 WeakPolarHBondContact O-CB 3.44Å; M404-K407 PolarHBondContact O-N 3.43Å; M404-K407 VanDerWaalsContact O-N 3.08Å; K407-K410 WeakPolarHBondContact O-CB 3.34Å; K407-K410 PolarHBondContact O-N 3.06Å; K407-L411 HydrophobicContact CG-CD1 4.38Å; K407-L411 WeakPolarHBondContact O-CG 3.2Å; K407-L411 PolarHBondContact O-N 3.07Å |
| 408 | I | 88.8 | Confident | 90.3 | Very high | 82 Ų | 82 | 106.9 Ų | 106.9 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.2 | -52 | 172.7 | -69.8 | 164.9 | 0 | 0 | 0 | 109.5 | M404 K410 L411 E412 | M404-I408 HydrophobicContact CG-CD1 4.22Å; M404-I408 WeakPolarHBondContact O-CG1 3.49Å; M404-I408 PolarHBondContact O-N 2.91Å; I408-K410 PolarHBondContact O-N 3.08Å; I408-K410 VanDerWaalsContact O-N 3.12Å; I408-L411 CarbonylContact O-C 3.58Å; I408-L411 PolarHBondContact O-N 3.23Å; I408-E412 HydrophobicContact CG2-CG 4.17Å; I408-E412 WeakPolarHBondContact O-CG 3.42Å; I408-E412 PolarHBondContact O-N 3.48Å |
| 409 | K | 91.2 | Very high | 90.1 | Very high | 127 Ų | 127 | 106.8 Ų | 106.8 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.9 | -22.7 | 177.1 | -72.7 | 178.7 | 177.7 | -177.8 | 0 | 114.7 | T405 E412 K413 | T405-K409 HydrophobicContact CG2-CD 4.41Å; T405-K409 WeakPolarHBondContact O-CB 3.23Å; T405-K409 WeakPolarHBondContact O-CG 3.49Å; T405-K409 PolarHBondContact O-N 3.13Å; K409-E412 WeakPolarHBondContact CA-OE2 3.41Å; K409-K413 WeakPolarHBondContact O-CG 3.36Å |
| 410 | K | 90.4 | Very high | 89.8 | Confident | 128 Ų | 128 | 105.5 Ų | 105.5 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -76.4 | -49.9 | 170.2 | 178.5 | 175.2 | 168.9 | 176.7 | 0 | 110.9 | K406 K407 I408 E412 K413 E414 | K406-K410 PolarHBondContact O-N 3.01Å; K406-K410 VanDerWaalsContact O-N 3.13Å; K407-K410 WeakPolarHBondContact O-CB 3.34Å; K407-K410 PolarHBondContact O-N 3.06Å; I408-K410 PolarHBondContact O-N 3.08Å; I408-K410 VanDerWaalsContact O-N 3.12Å; K410-E412 VanDerWaalsContact C-N 3.33Å; K410-E412 PolarHBondContact O-N 3.43Å; K410-K413 WeakPolarHBondContact O-CB 3.33Å; K410-K413 PolarHBondContact O-N 3.41Å; K410-K413 VanDerWaalsContact O-N 3.16Å; K410-E414 WeakPolarHBondContact CE-OE1 3.24Å; K410-E414 IonicContact NZ-OE1 2.96Å; K410-E414 WeakPolarHBondContact O-CG 3.31Å; K410-E414 PolarHBondContact O-N 2.93Å |
| 411 | L | 87.1 | Confident | 89.6 | Confident | 88 Ų | 88 | 108.1 Ų | 108.1 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 177.8 | -69.2 | 168.5 | 0 | 0 | 0 | 111.9 | K407 I408 K413 E414 T415 | K407-L411 HydrophobicContact CG-CD1 4.38Å; K407-L411 WeakPolarHBondContact O-CG 3.2Å; K407-L411 PolarHBondContact O-N 3.07Å; I408-L411 CarbonylContact O-C 3.58Å; I408-L411 PolarHBondContact O-N 3.23Å; L411-K413 VanDerWaalsContact C-N 3.34Å; L411-K413 PolarHBondContact O-N 2.96Å; L411-E414 PolarHBondContact O-N 3.38Å; L411-T415 WeakPolarHBondContact O-CB 3.41Å; L411-T415 PolarHBondContact O-N 2.79Å; L411-T415 PolarHBondContact O-OG1 2.76Å |
| 412 | E | 88.7 | Confident | 89.5 | Confident | 112 Ų | 112 | 110.8 Ų | 110.8 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 174.2 | -72.4 | 172.2 | 152.9 | 0 | 0 | 112.3 | I408 K409 K410 A416 | I408-E412 HydrophobicContact CG2-CG 4.17Å; I408-E412 WeakPolarHBondContact O-CG 3.42Å; I408-E412 PolarHBondContact O-N 3.48Å; K409-E412 WeakPolarHBondContact CA-OE2 3.41Å; K410-E412 VanDerWaalsContact C-N 3.33Å; K410-E412 PolarHBondContact O-N 3.43Å; E412-A416 WeakPolarHBondContact O-CB 3.45Å; E412-A416 PolarHBondContact O-N 3.28Å |
| 413 | K | 90.4 | Very high | 89.4 | Confident | 162 Ų | 162 | 112 Ų | 112 | 70% | 0.704 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.1 | -41.1 | 175.2 | -74.8 | -179.6 | 178 | -170.8 | 0 | 112 | K409 K410 L411 A416 M417 | K409-K413 WeakPolarHBondContact O-CG 3.36Å; K410-K413 WeakPolarHBondContact O-CB 3.33Å; K410-K413 PolarHBondContact O-N 3.41Å; K410-K413 VanDerWaalsContact O-N 3.16Å; L411-K413 VanDerWaalsContact C-N 3.34Å; L411-K413 PolarHBondContact O-N 2.96Å; K413-A416 PolarHBondContact O-N 3.37Å; K413-M417 WeakPolarHBondContact O-CB 3.43Å; K413-M417 PolarHBondContact O-N 3.12Å |
| 414 | E | 87.6 | Confident | 89 | Confident | 68 Ų | 68 | 109.9 Ų | 109.9 | 32% | 0.318 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 175.8 | -71.1 | 169.2 | 172 | 0 | 0 | 110.7 | K410 L411 A416 M417 Y418 | K410-E414 WeakPolarHBondContact CE-OE1 3.24Å; K410-E414 IonicContact NZ-OE1 2.96Å; K410-E414 WeakPolarHBondContact O-CG 3.31Å; K410-E414 PolarHBondContact O-N 2.93Å; L411-E414 PolarHBondContact O-N 3.38Å; E414-A416 PolarHBondContact O-N 3.3Å; E414-M417 WeakPolarHBondContact O-CB 3.41Å; E414-M417 PolarHBondContact O-N 2.97Å; E414-Y418 HydrophobicContact CB-CE2 4.47Å; E414-Y418 WeakPolarHBondContact O-CD2 3.47Å; E414-Y418 PolarHBondContact O-N 2.87Å |
| 415 | T | 88.2 | Confident | 88.6 | Confident | 76 Ų | 76 | 108.1 Ų | 108.1 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 173.4 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | L411 Y418 R419 | L411-T415 WeakPolarHBondContact O-CB 3.41Å; L411-T415 PolarHBondContact O-N 2.79Å; L411-T415 PolarHBondContact O-OG1 2.76Å; T415-Y418 PolarHBondContact O-N 3.15Å; T415-R419 PolarHBondContact O-N 3.03Å |
| 416 | A | 87.3 | Confident | 88.4 | Confident | 42 Ų | 42 | 108.6 Ų | 108.6 | 35% | 0.347 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E412 K413 E414 R419 S420 | E412-A416 WeakPolarHBondContact O-CB 3.45Å; E412-A416 PolarHBondContact O-N 3.28Å; K413-A416 PolarHBondContact O-N 3.37Å; E414-A416 PolarHBondContact O-N 3.3Å; A416-R419 PolarHBondContact O-N 3.38Å; A416-S420 WeakPolarHBondContact O-CB 3.36Å; A416-S420 PolarHBondContact O-N 2.8Å |
| 417 | M | 90.6 | Very high | 88.2 | Confident | 108 Ų | 108 | 108.2 Ų | 108.2 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 173.9 | -173.9 | -163.3 | -61.1 | 0 | 0 | 111.7 | K413 E414 S420 R421 | K413-M417 WeakPolarHBondContact O-CB 3.43Å; K413-M417 PolarHBondContact O-N 3.12Å; E414-M417 WeakPolarHBondContact O-CB 3.41Å; E414-M417 PolarHBondContact O-N 2.97Å; M417-S420 PolarHBondContact O-N 2.9Å; M417-R421 PolarHBondContact O-N 2.81Å |
| 418 | Y | 88.9 | Confident | 87.9 | Confident | 154 Ų | 154 | 103.6 Ų | 103.6 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.7 | -39.8 | 177.4 | -75.7 | -60.8 | 0 | 0 | 0 | 112.4 | E414 T415 R421 W422 | E414-Y418 HydrophobicContact CB-CE2 4.47Å; E414-Y418 WeakPolarHBondContact O-CD2 3.47Å; E414-Y418 PolarHBondContact O-N 2.87Å; T415-Y418 PolarHBondContact O-N 3.15Å; Y418-R421 PolarHBondContact O-N 3.3Å; Y418-W422 WeakPolarHBondContact O-CB 3.35Å; Y418-W422 PolarHBondContact O-N 2.85Å |
| 419 | R | 88.3 | Confident | 87.7 | Confident | 130 Ų | 130 | 105.3 Ų | 105.3 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 171.8 | -86.9 | -173.6 | -76.8 | 102 | -3.3 | 112 | T415 A416 R421 W422 E423 | T415-R419 PolarHBondContact O-N 3.03Å; A416-R419 PolarHBondContact O-N 3.38Å; R419-R421 VanDerWaalsContact C-N 3.33Å; R419-R421 PolarHBondContact O-N 2.81Å; R419-W422 PolarHBondContact O-N 3.41Å; R419-W422 VanDerWaalsContact O-N 3.09Å; R419-E423 WeakPolarHBondContact O-CB 3.38Å; R419-E423 VanDerWaalsContact O-CG 3.28Å; R419-E423 WeakPolarHBondContact O-CG 3.44Å; R419-E423 PolarHBondContact O-N 3.45Å |
| 420 | S | 85.5 | Confident | 87.3 | Confident | 70 Ų | 70 | 104.1 Ų | 104.1 | 49% | 0.49 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 178.4 | -178.8 | 0 | 0 | 0 | 0 | 112.9 | A416 M417 S424 | A416-S420 WeakPolarHBondContact O-CB 3.36Å; A416-S420 PolarHBondContact O-N 2.8Å; M417-S420 PolarHBondContact O-N 2.9Å; S420-S424 WeakPolarHBondContact O-CB 3.21Å; S420-S424 PolarHBondContact O-N 3.29Å |
| 421 | R | 86.9 | Confident | 87 | Confident | 171 Ų | 171 | 102.4 Ų | 102.4 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -43.7 | 171.4 | -90.7 | -177.6 | 160.7 | 175.5 | -6.2 | 112.6 | M417 Y418 R419 S424 S425 | M417-R421 PolarHBondContact O-N 2.81Å; Y418-R421 PolarHBondContact O-N 3.3Å; R419-R421 VanDerWaalsContact C-N 3.33Å; R419-R421 PolarHBondContact O-N 2.81Å; R421-S424 PolarHBondContact O-N 2.78Å; R421-S425 WeakPolarHBondContact O-CB 3.41Å; R421-S425 PolarHBondContact O-N 2.94Å |
| 422 | W | 88.4 | Confident | 86.6 | Confident | 166 Ų | 166 | 104.5 Ų | 104.5 | 63% | 0.629 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.6 | -46 | 177.7 | 175.3 | 82.8 | 0 | 0 | 0 | 111.6 | Y418 R419 S424 S425 N426 | Y418-W422 WeakPolarHBondContact O-CB 3.35Å; Y418-W422 PolarHBondContact O-N 2.85Å; R419-W422 PolarHBondContact O-N 3.41Å; R419-W422 VanDerWaalsContact O-N 3.09Å; W422-S424 VanDerWaalsContact C-N 3.35Å; W422-S424 PolarHBondContact O-N 3.42Å; W422-S425 PolarHBondContact O-N 3.29Å; W422-N426 VanDerWaalsContact O-CB 3.29Å; W422-N426 WeakPolarHBondContact O-CB 3.48Å; W422-N426 PolarHBondContact O-N 2.91Å |
| 423 | E | 88.3 | Confident | 86.1 | Confident | 101 Ų | 101 | 101.9 Ų | 101.9 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.7 | -47.1 | 174 | -72.4 | 157.1 | -160.4 | 0 | 0 | 111.3 | R419 N426 K427 | R419-E423 WeakPolarHBondContact O-CB 3.38Å; R419-E423 VanDerWaalsContact O-CG 3.28Å; R419-E423 WeakPolarHBondContact O-CG 3.44Å; R419-E423 PolarHBondContact O-N 3.45Å; E423-N426 PolarHBondContact O-N 3.44Å; E423-K427 WeakPolarHBondContact O-CB 3.48Å; E423-K427 PolarHBondContact O-N 3.24Å |
| 424 | S | 84.4 | Confident | 85.7 | Confident | 80 Ų | 80 | 100.6 Ų | 100.6 | 56% | 0.559 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -39.9 | 177.5 | -171.8 | 0 | 0 | 0 | 0 | 113 | S420 R421 W422 A428 | S420-S424 WeakPolarHBondContact O-CB 3.21Å; S420-S424 PolarHBondContact O-N 3.29Å; R421-S424 PolarHBondContact O-N 2.78Å; W422-S424 VanDerWaalsContact C-N 3.35Å; W422-S424 PolarHBondContact O-N 3.42Å; S424-A428 PolarHBondContact O-N 3.11Å; S424-A428 VanDerWaalsContact O-N 3.15Å |
| 425 | S | 84.5 | Confident | 85.4 | Confident | 82 Ų | 82 | 104 Ų | 104 | 57% | 0.573 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.4 | -41 | 177.2 | -169.7 | 0 | 0 | 0 | 0 | 111.5 | R421 W422 A428 L429 | R421-S425 WeakPolarHBondContact O-CB 3.41Å; R421-S425 PolarHBondContact O-N 2.94Å; W422-S425 PolarHBondContact O-N 3.29Å; S425-A428 PolarHBondContact O-N 3.26Å; S425-L429 PolarHBondContact O-N 2.89Å |
| 426 | N | 86.9 | Confident | 85.2 | Confident | 65 Ų | 65 | 106.1 Ų | 106.1 | 35% | 0.348 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.6 | -33.8 | 178 | -162.4 | 51.6 | 0 | 0 | 0 | 111.9 | W422 E423 L429 L430 | W422-N426 VanDerWaalsContact O-CB 3.29Å; W422-N426 WeakPolarHBondContact O-CB 3.48Å; W422-N426 PolarHBondContact O-N 2.91Å; E423-N426 PolarHBondContact O-N 3.44Å; N426-L429 WeakPolarHBondContact O-CB 3.49Å; N426-L429 PolarHBondContact O-N 2.99Å; N426-L430 WeakPolarHBondContact O-CG 3.15Å; N426-L430 PolarHBondContact O-N 2.89Å; N426-L430 VanDerWaalsContact O-N 3.09Å |
| 427 | K | 89.1 | Confident | 84.8 | Confident | 120 Ų | 120 | 106.2 Ų | 106.2 | 52% | 0.522 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 171.2 | -175.5 | 174.3 | -178.1 | -73.3 | 0 | 112 | E423 L429 L430 E431 | E423-K427 WeakPolarHBondContact O-CB 3.48Å; E423-K427 PolarHBondContact O-N 3.24Å; K427-L429 VanDerWaalsContact C-N 3.27Å; K427-L429 PolarHBondContact O-N 2.84Å; K427-L430 WeakPolarHBondContact O-CB 3.48Å; K427-L430 PolarHBondContact O-N 3.19Å; K427-L430 VanDerWaalsContact O-N 3.16Å; K427-E431 IonicContact NZ-OE1 3.24Å; K427-E431 PolarHBondContact NZ-OE1 3.31Å; K427-E431 IonicContact NZ-OE2 3.74Å; K427-E431 WeakPolarHBondContact O-CG 3.43Å; K427-E431 PolarHBondContact O-N 2.82Å |
| 428 | A | 84.1 | Confident | 84.4 | Confident | 44 Ų | 44 | 104 Ų | 104 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -35.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S424 S425 E431 M432 | S424-A428 PolarHBondContact O-N 3.11Å; S424-A428 VanDerWaalsContact O-N 3.15Å; S425-A428 PolarHBondContact O-N 3.26Å; A428-E431 PolarHBondContact O-N 3.45Å; A428-M432 WeakPolarHBondContact O-CG 3.49Å; A428-M432 PolarHBondContact O-N 3.24Å |
| 429 | L | 84.2 | Confident | 83.9 | Confident | 117 Ų | 117 | 105.1 Ų | 105.1 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.8 | -38.9 | 174.6 | -157.2 | 87.6 | 0 | 0 | 0 | 112.5 | S425 N426 K427 A433 | S425-L429 PolarHBondContact O-N 2.89Å; N426-L429 WeakPolarHBondContact O-CB 3.49Å; N426-L429 PolarHBondContact O-N 2.99Å; K427-L429 VanDerWaalsContact C-N 3.27Å; K427-L429 PolarHBondContact O-N 2.84Å; L429-A433 PolarHBondContact O-N 2.92Å; L429-A433 VanDerWaalsContact O-N 3.16Å |
| 430 | L | 83.4 | Confident | 83.6 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 174.6 | -74.7 | 165.6 | 0 | 0 | 0 | 111.7 | N426 K427 M432 A433 E434 | N426-L430 WeakPolarHBondContact O-CG 3.15Å; N426-L430 PolarHBondContact O-N 2.89Å; N426-L430 VanDerWaalsContact O-N 3.09Å; K427-L430 WeakPolarHBondContact O-CB 3.48Å; K427-L430 PolarHBondContact O-N 3.19Å; K427-L430 VanDerWaalsContact O-N 3.16Å; L430-M432 PolarHBondContact O-N 2.94Å; L430-A433 WeakPolarHBondContact O-CA 3.4Å; L430-A433 WeakPolarHBondContact O-CB 3.18Å; L430-A433 PolarHBondContact O-N 3.2Å; L430-E434 PolarHBondContact O-N 3.44Å |
| 431 | E | 84.1 | Confident | 83.3 | Confident | 91 Ų | 91 | 106 Ų | 106 | 43% | 0.425 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 177.2 | -71.3 | 168.7 | 163.1 | 0 | 0 | 111.3 | K427 A428 A433 E434 E435 | K427-E431 IonicContact NZ-OE1 3.24Å; K427-E431 PolarHBondContact NZ-OE1 3.31Å; K427-E431 IonicContact NZ-OE2 3.74Å; K427-E431 WeakPolarHBondContact O-CG 3.43Å; K427-E431 PolarHBondContact O-N 2.82Å; A428-E431 PolarHBondContact O-N 3.45Å; E431-A433 VanDerWaalsContact C-N 3.29Å; E431-A433 PolarHBondContact O-N 2.89Å; E431-E434 PolarHBondContact O-N 2.96Å; E431-E435 PolarHBondContact O-N 2.83Å |
| 432 | M | 79.1 | Confident | 83 | Confident | 132 Ų | 132 | 102.5 Ų | 102.5 | 65% | 0.65 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -32.6 | 172.7 | -71.5 | -175.6 | 71.1 | 0 | 0 | 113.6 | A428 L430 K436 | A428-M432 WeakPolarHBondContact O-CG 3.49Å; A428-M432 PolarHBondContact O-N 3.24Å; L430-M432 PolarHBondContact O-N 2.94Å; M432-K436 PolarHBondContact O-N 3.34Å; M432-K436 VanDerWaalsContact O-N 3.17Å |
| 433 | A | 78.3 | Confident | 82.6 | Confident | 57 Ų | 57 | 100.9 Ų | 100.9 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.9 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L429 L430 E431 A437 | L429-A433 PolarHBondContact O-N 2.92Å; L429-A433 VanDerWaalsContact O-N 3.16Å; L430-A433 WeakPolarHBondContact O-CA 3.4Å; L430-A433 WeakPolarHBondContact O-CB 3.18Å; L430-A433 PolarHBondContact O-N 3.2Å; E431-A433 VanDerWaalsContact C-N 3.29Å; E431-A433 PolarHBondContact O-N 2.89Å; A433-A437 WeakPolarHBondContact O-CB 3.43Å; A433-A437 PolarHBondContact O-N 3.12Å |
| 434 | E | 81.6 | Confident | 82.1 | Confident | 135 Ų | 135 | 102.7 Ų | 102.7 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.8 | -44.8 | 174.2 | -70.3 | -173.7 | 174.7 | 0 | 0 | 111.9 | L430 E431 K436 A437 V438 | L430-E434 PolarHBondContact O-N 3.44Å; E431-E434 PolarHBondContact O-N 2.96Å; E434-K436 VanDerWaalsContact C-N 3.32Å; E434-K436 PolarHBondContact O-N 3.4Å; E434-A437 PolarHBondContact O-N 3.45Å; E434-A437 VanDerWaalsContact O-N 3.13Å; E434-V438 WeakPolarHBondContact O-CG2 3.5Å; E434-V438 PolarHBondContact O-N 3.36Å |
| 435 | E | 81 | Confident | 81.8 | Confident | 139 Ų | 139 | 101.3 Ų | 101.3 | 65% | 0.65 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.7 | -44.5 | 174.2 | -75.2 | -170.3 | 163.6 | 0 | 0 | 112.2 | E431 V438 R439 | E431-E435 PolarHBondContact O-N 2.83Å; E435-V438 PolarHBondContact O-N 3.01Å; E435-R439 PolarHBondContact O-N 2.83Å; E435-R439 VanDerWaalsContact O-N 3.08Å |
| 436 | K | 83.3 | Confident | 81.5 | Confident | 122 Ų | 122 | 102.4 Ų | 102.4 | 53% | 0.53 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 174.7 | -174.3 | -171.3 | 177.6 | -63.6 | 0 | 111.1 | M432 E434 V438 R439 D440 | M432-K436 PolarHBondContact O-N 3.34Å; M432-K436 VanDerWaalsContact O-N 3.17Å; E434-K436 VanDerWaalsContact C-N 3.32Å; E434-K436 PolarHBondContact O-N 3.4Å; K436-V438 PolarHBondContact O-N 2.84Å; K436-R439 PolarHBondContact O-N 2.88Å; K436-R439 VanDerWaalsContact O-N 3.13Å; K436-D440 IonicContact NZ-OD1 2.63Å; K436-D440 IonicContact NZ-OD2 3.99Å; K436-D440 PolarHBondContact NZ-OD2 3.34Å; K436-D440 PolarHBondContact O-N 3.43Å |
| 437 | A | 80.4 | Confident | 80.9 | Confident | 43 Ų | 43 | 104 Ų | 104 | 36% | 0.355 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -23.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A433 E434 R441 | A433-A437 WeakPolarHBondContact O-CB 3.43Å; A433-A437 PolarHBondContact O-N 3.12Å; E434-A437 PolarHBondContact O-N 3.45Å; E434-A437 VanDerWaalsContact O-N 3.13Å; A437-R441 VanDerWaalsContact O-CZ 3.25Å; A437-R441 PolarHBondContact O-NE 2.92Å; A437-R441 PolarHBondContact O-NH2 2.94Å; A437-R441 VanDerWaalsContact O-NH2 3.15Å |
| 438 | V | 82.3 | Confident | 80.3 | Confident | 62 Ų | 62 | 99.6 Ų | 99.6 | 38% | 0.376 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.8 | -50.5 | 169.1 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | E434 E435 K436 D440 R441 D442 | E434-V438 WeakPolarHBondContact O-CG2 3.5Å; E434-V438 PolarHBondContact O-N 3.36Å; E435-V438 PolarHBondContact O-N 3.01Å; K436-V438 PolarHBondContact O-N 2.84Å; V438-D440 VanDerWaalsContact C-N 3.29Å; V438-D440 PolarHBondContact O-N 2.96Å; V438-R441 WeakPolarHBondContact O-CB 2.99Å; V438-R441 PolarHBondContact O-N 3.36Å; V438-R441 VanDerWaalsContact O-N 3.1Å; V438-D442 PolarHBondContact O-N 3.19Å; V438-D442 VanDerWaalsContact O-N 3.13Å |
| 439 | R | 77.8 | Confident | 79.9 | Confident | 178 Ų | 178 | 103.2 Ų | 103.2 | 67% | 0.672 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.5 | -35 | -179 | -72.2 | -141.4 | -69.1 | 99 | -6.2 | 113.9 | E435 K436 D442 F443 | E435-R439 PolarHBondContact O-N 2.83Å; E435-R439 VanDerWaalsContact O-N 3.08Å; K436-R439 PolarHBondContact O-N 2.88Å; K436-R439 VanDerWaalsContact O-N 3.13Å; R439-D442 PolarHBondContact O-N 2.89Å; R439-F443 PolarHBondContact O-N 3.26Å; R439-F443 VanDerWaalsContact O-N 3.11Å |
| 440 | D | 81.2 | Confident | 79.6 | Confident | 73 Ų | 73 | 102.2 Ų | 102.2 | 39% | 0.39 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 176.7 | -65.7 | -26.7 | 0 | 0 | 0 | 111.3 | K436 V438 F443 E444 | K436-D440 IonicContact NZ-OD1 2.63Å; K436-D440 IonicContact NZ-OD2 3.99Å; K436-D440 PolarHBondContact NZ-OD2 3.34Å; K436-D440 PolarHBondContact O-N 3.43Å; V438-D440 VanDerWaalsContact C-N 3.29Å; V438-D440 PolarHBondContact O-N 2.96Å; D440-F443 WeakPolarHBondContact O-CB 3.23Å; D440-F443 PolarHBondContact O-N 2.95Å; D440-E444 PolarHBondContact O-N 2.86Å; D440-E444 VanDerWaalsContact O-N 3.11Å |
| 441 | R | 78.9 | Confident | 79.1 | Confident | 145 Ų | 145 | 102.7 Ų | 102.7 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 175.7 | -83.1 | 175.5 | -84.6 | 140.5 | -10.7 | 112.9 | A437 V438 F443 E444 A445 | A437-R441 VanDerWaalsContact O-CZ 3.25Å; A437-R441 PolarHBondContact O-NE 2.92Å; A437-R441 PolarHBondContact O-NH2 2.94Å; A437-R441 VanDerWaalsContact O-NH2 3.15Å; V438-R441 WeakPolarHBondContact O-CB 2.99Å; V438-R441 PolarHBondContact O-N 3.36Å; V438-R441 VanDerWaalsContact O-N 3.1Å; R441-F443 VanDerWaalsContact C-N 3.3Å; R441-F443 PolarHBondContact O-N 3.18Å; R441-E444 PolarHBondContact O-N 3.11Å; R441-A445 WeakPolarHBondContact O-CB 3.49Å; R441-A445 PolarHBondContact O-N 3.34Å |
| 442 | D | 80.8 | Confident | 78.6 | Confident | 97 Ų | 97 | 106.5 Ų | 106.5 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 176.3 | -75 | -32.2 | 0 | 0 | 0 | 112 | V438 R439 A445 L446 | V438-D442 PolarHBondContact O-N 3.19Å; V438-D442 VanDerWaalsContact O-N 3.13Å; R439-D442 PolarHBondContact O-N 2.89Å; D442-A445 PolarHBondContact O-N 3.43Å; D442-L446 WeakPolarHBondContact O-CG 3.34Å; D442-L446 PolarHBondContact O-N 2.85Å |
| 443 | F | 79.9 | Confident | 78.3 | Confident | 132 Ų | 132 | 106 Ų | 106 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.6 | -44.5 | 175.5 | -173.9 | -98.2 | 0 | 0 | 0 | 112.1 | R439 D440 R441 A445 L446 Q447 | R439-F443 PolarHBondContact O-N 3.26Å; R439-F443 VanDerWaalsContact O-N 3.11Å; D440-F443 WeakPolarHBondContact O-CB 3.23Å; D440-F443 PolarHBondContact O-N 2.95Å; R441-F443 VanDerWaalsContact C-N 3.3Å; R441-F443 PolarHBondContact O-N 3.18Å; F443-A445 PolarHBondContact O-N 2.84Å; F443-L446 PolarHBondContact O-N 2.79Å; F443-Q447 WeakPolarHBondContact O-CB 3.35Å; F443-Q447 PolarHBondContact O-N 3.36Å |
| 444 | E | 79.4 | Confident | 78 | Confident | 139 Ų | 139 | 105.9 Ų | 105.9 | 65% | 0.65 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 172.3 | -69.9 | -174.6 | 150.3 | 0 | 0 | 111.9 | D440 R441 L446 Q447 G448 | D440-E444 PolarHBondContact O-N 2.86Å; D440-E444 VanDerWaalsContact O-N 3.11Å; R441-E444 PolarHBondContact O-N 3.11Å; E444-L446 VanDerWaalsContact C-N 3.31Å; E444-L446 PolarHBondContact O-N 3.49Å; E444-Q447 PolarHBondContact O-N 3.27Å; E444-G448 PolarHBondContact O-N 3.44Å |
| 445 | A | 77.4 | Confident | 77.6 | Confident | 52 Ų | 52 | 106.3 Ų | 106.3 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -34 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R441 D442 F443 K449 | R441-A445 WeakPolarHBondContact O-CB 3.49Å; R441-A445 PolarHBondContact O-N 3.34Å; D442-A445 PolarHBondContact O-N 3.43Å; F443-A445 PolarHBondContact O-N 2.84Å; A445-K449 WeakPolarHBondContact O-CG 3.44Å; A445-K449 PolarHBondContact O-N 3.19Å |
| 446 | L | 77.3 | Confident | 77.1 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71 | -46.5 | 171.5 | -80.5 | 162.9 | 0 | 0 | 0 | 111.8 | D442 F443 E444 G448 K449 V450 | D442-L446 WeakPolarHBondContact O-CG 3.34Å; D442-L446 PolarHBondContact O-N 2.85Å; F443-L446 PolarHBondContact O-N 2.79Å; E444-L446 VanDerWaalsContact C-N 3.31Å; E444-L446 PolarHBondContact O-N 3.49Å; L446-G448 VanDerWaalsContact C-N 3.29Å; L446-G448 PolarHBondContact O-N 3.46Å; L446-K449 WeakPolarHBondContact O-CB 3.5Å; L446-K449 PolarHBondContact O-N 3.15Å; L446-V450 PolarHBondContact O-N 2.85Å; L446-V450 VanDerWaalsContact O-N 3.16Å |
| 447 | Q | 76 | Confident | 76.5 | Confident | 99 Ų | 99 | 107.7 Ų | 107.7 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 178.3 | -162.2 | -175.5 | 100.1 | 0 | 0 | 111.5 | F443 E444 K449 V450 Q451 | F443-Q447 WeakPolarHBondContact O-CB 3.35Å; F443-Q447 PolarHBondContact O-N 3.36Å; E444-Q447 PolarHBondContact O-N 3.27Å; Q447-K449 PolarHBondContact O-N 3.36Å; Q447-V450 PolarHBondContact O-N 3.08Å; Q447-Q451 PolarHBondContact O-N 2.9Å; Q447-Q451 VanDerWaalsContact O-N 3.1Å |
| 448 | G | 76 | Confident | 76 | Confident | 27 Ų | 27 | 113.1 Ų | 113.1 | 28% | 0.278 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -13.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E444 L446 R452 | E444-G448 PolarHBondContact O-N 3.44Å; L446-G448 VanDerWaalsContact C-N 3.29Å; L446-G448 PolarHBondContact O-N 3.46Å; G448-R452 PolarHBondContact O-NE 3.48Å; G448-R452 PolarHBondContact O-NH2 2.98Å |
| 449 | K | 76.3 | Confident | 75.1 | Confident | 119 Ų | 119 | 112.9 Ų | 112.9 | 52% | 0.517 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -84 | -44.2 | 167.3 | -69.7 | 166.8 | -175.8 | 171.5 | 0 | 110.8 | A445 L446 Q447 Q451 R452 L453 | A445-K449 WeakPolarHBondContact O-CG 3.44Å; A445-K449 PolarHBondContact O-N 3.19Å; L446-K449 WeakPolarHBondContact O-CB 3.5Å; L446-K449 PolarHBondContact O-N 3.15Å; Q447-K449 PolarHBondContact O-N 3.36Å; K449-Q451 PolarHBondContact O-N 3.2Å; K449-R452 PolarHBondContact O-N 2.86Å; K449-R452 VanDerWaalsContact O-N 3.14Å; K449-L453 PolarHBondContact O-N 3Å |
| 450 | V | 76 | Confident | 74.5 | Confident | 97 Ų | 97 | 109.3 Ų | 109.3 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.6 | -46.4 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | L446 Q447 R452 L453 D454 | L446-V450 PolarHBondContact O-N 2.85Å; L446-V450 VanDerWaalsContact O-N 3.16Å; Q447-V450 PolarHBondContact O-N 3.08Å; V450-R452 PolarHBondContact O-N 3.23Å; V450-L453 PolarHBondContact O-N 3.31Å; V450-D454 PolarHBondContact O-N 3.44Å; V450-D454 VanDerWaalsContact O-N 3.1Å |
| 451 | Q | 74.1 | Confident | 73.6 | Confident | 113 Ų | 113 | 111.9 Ų | 111.9 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.8 | -29.7 | 178.8 | -67.5 | -173.9 | 19.6 | 0 | 0 | 113.8 | Q447 K449 K455 | Q447-Q451 PolarHBondContact O-N 2.9Å; Q447-Q451 VanDerWaalsContact O-N 3.1Å; K449-Q451 PolarHBondContact O-N 3.2Å; Q451-K455 WeakPolarHBondContact O-CG 3.42Å; Q451-K455 PolarHBondContact O-N 3.46Å |
| 452 | R | 74.1 | Confident | 73.1 | Confident | 170 Ų | 170 | 109.1 Ų | 109.1 | 64% | 0.642 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -75.3 | -42.2 | 177.2 | -78.9 | -179.9 | -80.2 | 176.7 | -7.2 | 111.8 | G448 K449 V450 D454 K455 L456 | G448-R452 PolarHBondContact O-NE 3.48Å; G448-R452 PolarHBondContact O-NH2 2.98Å; K449-R452 PolarHBondContact O-N 2.86Å; K449-R452 VanDerWaalsContact O-N 3.14Å; V450-R452 PolarHBondContact O-N 3.23Å; R452-D454 PolarHBondContact O-N 3.04Å; R452-K455 PolarHBondContact O-N 3.29Å; R452-L456 PolarHBondContact O-N 3.31Å |
| 453 | L | 72 | Confident | 72.1 | Confident | 121 Ų | 121 | 110.3 Ų | 110.3 | 63% | 0.634 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | 176.8 | -69.5 | 170.2 | 0 | 0 | 0 | 112 | K449 V450 L456 R457 | K449-L453 PolarHBondContact O-N 3Å; V450-L453 PolarHBondContact O-N 3.31Å; L453-L456 PolarHBondContact O-N 3.46Å; L453-R457 WeakPolarHBondContact O-CB 3.45Å; L453-R457 PolarHBondContact O-N 2.92Å |
| 454 | D | 71.9 | Confident | 71.3 | Confident | 56 Ų | 56 | 111 Ų | 111 | 30% | 0.299 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.3 | -29.8 | -179.2 | -167.4 | 69.5 | 0 | 0 | 0 | 113.6 | V450 R452 R457 R458 | V450-D454 PolarHBondContact O-N 3.44Å; V450-D454 VanDerWaalsContact O-N 3.1Å; R452-D454 PolarHBondContact O-N 3.04Å; D454-R457 PolarHBondContact O-N 3.44Å; D454-R458 PolarHBondContact O-N 2.91Å; D454-R458 IonicContact OD2-CZ 3.82Å; D454-R458 VanDerWaalsContact OD2-CZ 3.24Å; D454-R458 IonicContact OD2-NE 3.13Å; D454-R458 PolarHBondContact OD2-NE 3.49Å; D454-R458 IonicContact OD2-NH2 2.68Å; D454-R458 PolarHBondContact OD2-NH2 2.76Å |
| 455 | K | 73.6 | Confident | 70.5 | Confident | 143 Ų | 143 | 108.4 Ų | 108.4 | 62% | 0.622 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 168.1 | -75.6 | 179.1 | -178.8 | -179.1 | 0 | 111.4 | Q451 R452 R458 A459 | Q451-K455 WeakPolarHBondContact O-CG 3.42Å; Q451-K455 PolarHBondContact O-N 3.46Å; R452-K455 PolarHBondContact O-N 3.29Å; K455-R458 PolarHBondContact O-N 2.99Å; K455-A459 PolarHBondContact O-N 2.88Å |
| 456 | L | 71.3 | Confident | 69.6 | Low | 107 Ų | 107 | 112.6 Ų | 112.6 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 177.7 | -169.9 | 68.9 | 0 | 0 | 0 | 111.9 | R452 L453 R458 A459 L460 | R452-L456 PolarHBondContact O-N 3.31Å; L453-L456 PolarHBondContact O-N 3.46Å; L456-R458 VanDerWaalsContact C-N 3.26Å; L456-R458 PolarHBondContact O-N 3.17Å; L456-A459 PolarHBondContact O-N 2.82Å; L456-L460 HydrophobicContact CG-CD1 4.38Å; L456-L460 PolarHBondContact O-N 3.03Å |
| 457 | R | 69.1 | Low | 68.6 | Low | 184 Ų | 184 | 113.7 Ų | 113.7 | 69% | 0.694 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.1 | -34 | 176.1 | -169.7 | -174.3 | -171.2 | -161.9 | 6.5 | 113 | L453 D454 | L453-R457 WeakPolarHBondContact O-CB 3.45Å; L453-R457 PolarHBondContact O-N 2.92Å; D454-R457 PolarHBondContact O-N 3.44Å |
| 458 | R | 70.9 | Confident | 67.7 | Low | 157 Ų | 157 | 115.4 Ų | 115.4 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.2 | -43.4 | 176.8 | -78.5 | -177.9 | -103.3 | 165.8 | -10 | 112.4 | D454 K455 L456 K461 | D454-R458 PolarHBondContact O-N 2.91Å; D454-R458 IonicContact OD2-CZ 3.82Å; D454-R458 VanDerWaalsContact OD2-CZ 3.24Å; D454-R458 IonicContact OD2-NE 3.13Å; D454-R458 PolarHBondContact OD2-NE 3.49Å; D454-R458 IonicContact OD2-NH2 2.68Å; D454-R458 PolarHBondContact OD2-NH2 2.76Å; K455-R458 PolarHBondContact O-N 2.99Å; L456-R458 VanDerWaalsContact C-N 3.26Å; L456-R458 PolarHBondContact O-N 3.17Å; R458-K461 PolarHBondContact O-N 3.49Å |
| 459 | A | 62.8 | Low | 66.7 | Low | 56 Ų | 56 | 123.2 Ų | 123.2 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57.6 | -54.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | K455 L456 K461 V462 | K455-A459 PolarHBondContact O-N 2.88Å; L456-A459 PolarHBondContact O-N 2.82Å; A459-K461 PolarHBondContact O-N 3.33Å; A459-V462 PolarHBondContact O-N 3.42Å |
| 460 | L | 64.9 | Low | 65.7 | Low | 104 Ų | 104 | 126.4 Ų | 126.4 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.1 | -18.2 | -179.7 | -66.7 | 170.2 | 0 | 0 | 0 | 113.9 | L456 | L456-L460 HydrophobicContact CG-CD1 4.38Å; L456-L460 PolarHBondContact O-N 3.03Å |
| 461 | K | 63.8 | Low | 64.4 | Low | 126 Ų | 126 | 127.5 Ų | 127.5 | 55% | 0.548 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -86.6 | -14.3 | 178.4 | -161.3 | 155.6 | -178.2 | 176.8 | 0 | 113.3 | R458 A459 N465 | R458-K461 PolarHBondContact O-N 3.49Å; A459-K461 PolarHBondContact O-N 3.33Å; K461-N465 PolarHBondContact O-ND2 3.3Å |
| 462 | V | 68.3 | Low | 62.6 | Low | 88 Ų | 88 | 129.5 Ų | 129.5 | 53% | 0.533 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -79.7 | -56.4 | 174.6 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | A459 R464 N465 E466 | A459-V462 PolarHBondContact O-N 3.42Å; V462-R464 VanDerWaalsContact C-N 3.26Å; V462-R464 PolarHBondContact O-N 3.47Å; V462-N465 WeakPolarHBondContact O-CB 3.1Å; V462-N465 PolarHBondContact O-N 3.32Å; V462-E466 PolarHBondContact O-N 3.46Å |
| 463 | E | 59.8 | Low | 61.4 | Low | 121 Ų | 121 | 128.1 Ų | 128.1 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -53.9 | -42.9 | -179 | -62.2 | -179 | 130.6 | 0 | 0 | 112.3 | N465 E466 L467 | E463-N465 PolarHBondContact O-N 2.89Å; E463-E466 PolarHBondContact O-N 2.68Å; E463-E466 VanDerWaalsContact O-N 3.13Å; E463-L467 PolarHBondContact O-N 2.78Å; E463-L467 VanDerWaalsContact O-N 3.1Å |
| 464 | R | 62.9 | Low | 59.6 | Low | 147 Ų | 147 | 130.4 Ų | 130.4 | 56% | 0.555 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60.3 | -26.9 | 177.7 | -178.3 | -88.2 | -98.2 | 172.9 | -17.2 | 113.4 | V462 | V462-R464 VanDerWaalsContact C-N 3.26Å; V462-R464 PolarHBondContact O-N 3.47Å |
| 465 | N | 61.3 | Low | 57.5 | Low | 85 Ų | 85 | 136 Ų | 136 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -83.1 | -31.5 | 177.2 | -71 | -14.6 | 0 | 0 | 0 | 112.2 | K461 V462 E463 | K461-N465 PolarHBondContact O-ND2 3.3Å; V462-N465 WeakPolarHBondContact O-CB 3.1Å; V462-N465 PolarHBondContact O-N 3.32Å; E463-N465 PolarHBondContact O-N 2.89Å |
| 466 | E | 59.4 | Low | 55.2 | Low | 139 Ų | 139 | 132.7 Ų | 132.7 | 65% | 0.65 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.1 | -44.6 | 177 | -62.8 | -161 | 134.2 | 0 | 0 | 112 | V462 E463 K468 K469 | V462-E466 PolarHBondContact O-N 3.46Å; E463-E466 PolarHBondContact O-N 2.68Å; E463-E466 VanDerWaalsContact O-N 3.13Å; E466-K468 VanDerWaalsContact C-N 3.27Å; E466-K468 PolarHBondContact O-N 3.21Å; E466-K469 WeakPolarHBondContact O-CB 3.38Å; E466-K469 PolarHBondContact O-N 3.48Å |
| 467 | L | 57.2 | Low | 53.1 | Low | 129 Ų | 129 | 134.9 Ų | 134.9 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -56.6 | -41.4 | 174.3 | -99.5 | 71.8 | 0 | 0 | 0 | 111.9 | E463 K469 K470 | E463-L467 PolarHBondContact O-N 2.78Å; E463-L467 VanDerWaalsContact O-N 3.1Å; L467-K469 PolarHBondContact O-N 2.88Å; L467-K470 PolarHBondContact O-N 3.17Å; L467-K470 VanDerWaalsContact O-N 3.11Å |
| 468 | K | 55.5 | Low | 51 | Low | 134 Ų | 134 | 131.5 Ų | 131.5 | 58% | 0.583 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -60.6 | -28.2 | 180 | -167.7 | 173.1 | -178.3 | -178.3 | 0 | 112.6 | E466 K470 | E466-K468 VanDerWaalsContact C-N 3.27Å; E466-K468 PolarHBondContact O-N 3.21Å; K468-K470 VanDerWaalsContact C-N 3.29Å; K468-K470 PolarHBondContact O-N 3.35Å |
| 469 | K | 56.5 | Low | 48.8 | Very low | 191 Ų | 191 | 127.3 Ų | 127.3 | 83% | 0.83 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -9 | -179.6 | -135.4 | 179.1 | -175 | -176.5 | 0 | 114.3 | E466 L467 | E466-K469 WeakPolarHBondContact O-CB 3.38Å; E466-K469 PolarHBondContact O-N 3.48Å; L467-K469 PolarHBondContact O-N 2.88Å |
| 470 | K | 55 | Low | 47.1 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 81% | 0.809 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -4.8 | 176.1 | -90.7 | 178.6 | 173.9 | 173.7 | 0 | 114.8 | L467 K468 | L467-K470 PolarHBondContact O-N 3.17Å; L467-K470 VanDerWaalsContact O-N 3.11Å; K468-K470 VanDerWaalsContact C-N 3.29Å; K468-K470 PolarHBondContact O-N 3.35Å |
| 471 | V | 48.1 | Very low | 45.3 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -115 | 3.7 | -171.7 | -172.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 472 | Q | 36 | Very low | 43.5 | Very low | 155 Ų | 155 | 126.6 Ų | 126.6 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | -110.4 | 71.7 | 173.2 | -66 | -167.5 | -80 | 0 | 0 | 111.6 | ||||
| 473 | N | 49 | Very low | 41.9 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | -109.2 | 142.6 | 158 | -78.5 | -24.3 | 0 | 0 | 0 | 108 | ||||
| 474 | L | 35.3 | Very low | 41.8 | Very low | 168 Ų | 168 | 127 Ų | 127 | 88% | 0.88 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 67.8 | 142.8 | 174.2 | -58.2 | 163.6 | 0 | 0 | 0 | 116.4 | ||
| 475 | N | 26.5 | Very low | 40.3 | Very low | 174 Ų | 174 | 124.2 Ų | 124.2 | 93% | 0.93 | 76% | 0.761 | S | S | * | * | trans | 58.6 | 161.9 | -179.7 | -67.7 | 5.9 | 0 | 0 | 0 | 116.9 | ||||
| 476 | G | 26.9 | Very low | 38.9 | Very low | 73 Ų | 73 | 125.3 Ų | 125.3 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -160.1 | -147.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 477 | D | 25.3 | Very low | 37.8 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 84.3 | 135.6 | -175.4 | -160.8 | 8.9 | 0 | 0 | 0 | 116.3 | ||||
| 478 | S | 25.6 | Very low | 38 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 50.2 | 153.9 | 162.1 | -67.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 479 | G | 25.2 | Very low | 37.1 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | 169.1 | 138.9 | -10 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 480 | A | 27.6 | Very low | 36.2 | Very low | 111 Ų | 111 | 118.9 Ų | 118.9 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | 54 | 139.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 481 | G | 25.8 | Very low | 34.9 | Very low | 87 Ų | 87 | 117.3 Ų | 117.3 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | 83.1 | 151.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 482 | G | 26.8 | Very low | 35.1 | Very low | 73 Ų | 73 | 116.2 Ų | 116.2 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | 160.8 | 133.6 | -15.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 483 | A | 35.1 | Very low | 35.7 | Very low | 101 Ų | 101 | 114.8 Ų | 114.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 62.3 | -178.3 | 154 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 484 | P | 56.9 | Low | 34.9 | Very low | 118 Ų | 118 | 113.2 Ų | 113.2 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | -137.5 | -168.1 | -71.9 | 42.9 | -27.6 | 0 | 0 | 0 | 115.3 | |||||
| 485 | A | 31.7 | Very low | 36.7 | Very low | 88 Ų | 88 | 110.5 Ų | 110.5 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 73.8 | 161.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 486 | S | 32.3 | Very low | 38.2 | Very low | 107 Ų | 107 | 108.1 Ų | 108.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | cis | -171.6 | 138.1 | -30.8 | -90.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 487 | D | 35.3 | Very low | 40 | Very low | 151 Ų | 151 | 109.4 Ų | 109.4 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 52.8 | -164.1 | 131.4 | -140.4 | 22.2 | 0 | 0 | 0 | 120.1 | ||||
| 488 | P | 62.2 | Low | 40.5 | Very low | 112 Ų | 112 | 108 Ų | 108 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | -101.9 | -169.1 | -64.4 | 10.8 | 12.1 | 0 | 0 | 0 | 111.8 | |||||
| 489 | G | 36.8 | Very low | 40.7 | Very low | 61 Ų | 61 | 109 Ų | 109 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | cis | 152.4 | 170.6 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 490 | T | 37.6 | Very low | 40.9 | Very low | 134 Ų | 134 | 110.6 Ų | 110.6 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 56.9 | 160.6 | 163.1 | 47.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 491 | D | 27.5 | Very low | 41.2 | Very low | 153 Ų | 153 | 112.7 Ų | 112.7 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | -149.1 | -178.6 | -0.6 | -135.1 | -43.8 | 0 | 0 | 0 | 113.4 | ||||
| 492 | S | 51.7 | Low | 42.4 | Very low | 98 Ų | 98 | 114.2 Ų | 114.2 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -90.5 | 169.2 | 171.2 | -140.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 493 | P | 48.6 | Very low | 42.9 | Very low | 124 Ų | 124 | 118.8 Ų | 118.8 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | -155.5 | -173.5 | 69.6 | 42.5 | -20.2 | 0 | 0 | 0 | 118.4 | |||||
| 494 | S | 31.3 | Very low | 44.2 | Very low | 109 Ų | 109 | 118.8 Ų | 118.8 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -55.2 | 162.1 | -176.4 | -50.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 495 | P | 75.1 | Confident | 43 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -86.2 | -177.6 | 160.6 | 39.5 | -37.8 | 0 | 0 | 0 | 112.7 | ||||
| 496 | P | 57.4 | Low | 43 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | -141.4 | -126.3 | 117.1 | 35.1 | -12.1 | 0 | 0 | 0 | 116 | |||||
| 497 | P | 64.9 | Low | 42.9 | Very low | 101 Ų | 101 | 120 Ų | 120 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | -146.5 | -157.1 | -128.3 | 46.1 | -22.2 | 0 | 0 | 0 | 118.4 | |||||
| 498 | T | 35 | Very low | 44 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | 67.9 | 149.7 | 159.3 | 47.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 499 | D | 29.6 | Very low | 42.7 | Very low | 137 Ų | 137 | 119.4 Ų | 119.4 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | cis | -149.4 | -172.8 | 2 | -138.7 | -130.9 | 0 | 0 | 0 | 109.2 | ||||
| 500 | S | 29.3 | Very low | 42.7 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | cis | -158.6 | -167.2 | 10.7 | -153.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 501 | L | 35.4 | Very low | 42.4 | Very low | 155 Ų | 155 | 121 Ų | 121 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -94 | -172.7 | 170.5 | -89.6 | 165 | 0 | 0 | 0 | 111 | ||||
| 502 | P | 49.9 | Very low | 42.7 | Very low | 120 Ų | 120 | 118 Ų | 118 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | cis | -144.2 | 178.9 | 17.3 | 43.8 | -22.6 | 0 | 0 | 0 | 120.6 | ||||
| 503 | E | 37 | Very low | 42 | Very low | 168 Ų | 168 | 119.3 Ų | 119.3 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -58.7 | -161.7 | 157.9 | -115.2 | -169.7 | 163.2 | 0 | 0 | 114.9 | ||||
| 504 | P | 62.7 | Low | 41.2 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | cis | -139.5 | -168.4 | -1.1 | 25.2 | 2 | 0 | 0 | 0 | 117.3 | ||||
| 505 | S | 32.8 | Very low | 41.3 | Very low | 110 Ų | 110 | 118.5 Ų | 118.5 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | 89.5 | 142.8 | 149.7 | -66.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 506 | S | 30.9 | Very low | 39.5 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | cis | -163.9 | 165.6 | -11.6 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 507 | C | 29.3 | Very low | 38.3 | Very low | 117 Ų | 117 | 120.9 Ų | 120.9 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -76.7 | -167.1 | 172.8 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 508 | P | 58.8 | Low | 37 | Very low | 116 Ų | 116 | 121 Ų | 121 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | cis | -137.1 | 160.2 | 4.8 | 45.6 | -25.7 | 0 | 0 | 0 | 116.3 | ||||
| 509 | V | 36.2 | Very low | 37.8 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | 82 | 112.9 | 82.9 | -172.8 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 510 | A | 35.1 | Very low | 38.2 | Very low | 85 Ų | 85 | 126.2 Ų | 126.2 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | 50.7 | 147.9 | 139.5 | 0 | 0 | 0 | 0 | 0 | 127.6 | ||||
| 511 | D | 31.2 | Very low | 39.9 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 78.8 | 122.1 | 133.3 | -92.1 | 53 | 0 | 0 | 0 | 127.6 | ||||
| 512 | S | 34.8 | Very low | 39.9 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | 74.9 | 131.5 | 121.7 | -65 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 513 | T | 35.8 | Very low | 39.4 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 72.5 | 112.1 | 140.9 | 47.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 514 | S | 33 | Very low | 39.5 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | 88.4 | 138.2 | 111.2 | 91.7 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 515 | C | 33.6 | Very low | 38.1 | Very low | 109 Ų | 109 | 124 Ų | 124 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | 73.7 | 129.4 | 137.2 | -71.8 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 516 | H | 37.4 | Very low | 38.7 | Very low | 176 Ų | 176 | 126.7 Ų | 126.7 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | trans | 66.4 | 157.1 | 144.6 | -79.6 | -52.9 | 0 | 0 | 0 | 120.2 | ||||
| 517 | C | 30.9 | Very low | 38.9 | Very low | 110 Ų | 110 | 131 Ų | 131 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | cis | -148 | 169.5 | -0.6 | -142.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 518 | S | 39.3 | Very low | 39.4 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -81.6 | 176.6 | 165.1 | -45.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 519 | P | 50 | Low | 38.4 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | -143.9 | -168.3 | 94.8 | 38.2 | -20.9 | 0 | 0 | 0 | 116.1 | |||||
| 520 | R | 39.4 | Very low | 38.5 | Very low | 234 Ų | 234 | 134.3 Ų | 134.3 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -129.6 | -165.6 | -166.3 | -126.7 | -174.9 | 177.4 | -148.3 | 4.3 | 107.2 | ||||
| 521 | P | 63.4 | Low | 38.6 | Very low | 85 Ų | 85 | 133.6 Ų | 133.6 | 55% | 0.552 | 78% | 0.776 | S | S | * | * | cis | -138.7 | -150.4 | -22 | 27.9 | -0.7 | 0 | 0 | 0 | 113.1 | ||||
| 522 | D | 37.3 | Very low | 39.8 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 88 | 152.1 | 151.4 | -56.5 | -24 | 0 | 0 | 0 | 118.8 | ||||
| 523 | T | 38.8 | Very low | 41.2 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | cis | -147.7 | -171.2 | 6.1 | -12.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 524 | D | 38 | Very low | 42.7 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -67.9 | 167.8 | -174.6 | -64.6 | -72 | 0 | 0 | 0 | 121.4 | ||||
| 525 | A | 34.5 | Very low | 44.2 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -159.6 | 148.7 | 133.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 526 | L | 45.4 | Very low | 45.2 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -132.4 | 150.9 | 172.9 | -71.9 | 166.9 | 0 | 0 | 0 | 109.6 | ||||
| 527 | Q | 34.2 | Very low | 46.4 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | trans | -170.6 | -167.3 | 130.7 | -129.1 | 161.9 | -12.1 | 0 | 0 | 114.7 | ||||
| 528 | E | 39.7 | Very low | 47.6 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -144 | -172 | -148.6 | -167.3 | 174 | -171.1 | 0 | 0 | 111.7 | ||||
| 529 | E | 38 | Very low | 48.1 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 93.2 | 162.8 | 161.8 | -84.2 | -68.5 | 173.8 | 0 | 0 | 121.6 | ||||
| 530 | A | 39 | Very low | 47.9 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | -89.6 | -177.5 | -150.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 531 | G | 37.9 | Very low | 48.4 | Very low | 71 Ų | 71 | 138.8 Ų | 138.8 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | -135 | -176.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 532 | P | 55.1 | Low | 47.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -125.3 | 168.1 | 167.7 | 34.1 | -17.6 | 0 | 0 | 0 | 114.3 | ||||
| 533 | P | 63.8 | Low | 48.1 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 167.1 | -166.2 | 37.4 | -37.5 | 0 | 0 | 0 | 116.1 | ||
| 534 | P | 68.7 | Low | 48.7 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 159.9 | 173.7 | 35.1 | -36.2 | 0 | 0 | 0 | 113.9 | ||
| 535 | P | 63.6 | Low | 49.3 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 81% | 0.805 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 157.5 | -177.8 | 35.9 | -36.1 | 0 | 0 | 0 | 114.9 | ||
| 536 | L | 54.8 | Low | 50.3 | Low | 166 Ų | 166 | 145.1 Ų | 145.1 | 87% | 0.869 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -83 | 149.6 | 167.5 | -64.4 | 167.5 | 0 | 0 | 0 | 111.9 | ||
| 537 | P | 62.5 | Low | 50.7 | Low | 126 Ų | 126 | 143.6 Ų | 143.6 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -99 | 166.2 | 140.7 | 35.6 | -28.6 | 0 | 0 | 0 | 110.9 | ||
| 538 | A | 56 | Low | 52 | Low | 87 Ų | 87 | 139.2 Ų | 139.2 | 72% | 0.719 | 83% | 0.831 | S | S | * | * | trans | -137.5 | 166.7 | -171 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 539 | L | 50.7 | Low | 53 | Low | 166 Ų | 166 | 136.2 Ų | 136.2 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | trans | 67.3 | 135.7 | 170.7 | -59.5 | 158.9 | 0 | 0 | 0 | 114.1 | ||||
| 540 | E | 45.7 | Very low | 54.3 | Low | 267 Ų | 267 | 133.1 Ų | 133.1 | 100% | 1.248 | 84% | 0.836 | S | S | * | * | cis | -107.8 | 0 | 33.2 | -67 | 179.1 | 123.2 | 0 | 0 | 116.6 |
Retrieved 540 of 540 residues in 307.6 ms
(Link to these results)