| 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 | 27.7 | Very low | 31.9 | Very low | 241 Ų | 241 | 139.1 Ų | 139.1 | 100% | 1.187 | 80% | 0.803 | S | S | * | * | 0 | 146.1 | 0 | -59.6 | 167.8 | 178.5 | 0 | 0 | 107.9 | |||||
| 2 | S | 28.7 | Very low | 31.7 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | cis | -166.3 | 144.1 | -37.9 | -85.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3 | I | 32.1 | Very low | 31.7 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -96.4 | -169.4 | -179.5 | 7.1 | 172 | 0 | 0 | 0 | 109.6 | ||||
| 4 | P | 56.2 | Low | 31.6 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | cis | -139.5 | -159.5 | -11.1 | 23.7 | 4.2 | 0 | 0 | 0 | 114.7 | ||||
| 5 | C | 28.4 | Very low | 31.3 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | trans | 87.6 | 151 | 147.2 | -67.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 6 | S | 31.3 | Very low | 30.9 | Very low | 90 Ų | 90 | 143.1 Ų | 143.1 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | cis | -171.9 | 130 | -21.7 | -97.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 7 | I | 30.9 | Very low | 31 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | 81.3 | 131.7 | 79.7 | -70.8 | 172.5 | 0 | 0 | 0 | 115 | |||||
| 8 | L | 29.9 | Very low | 30.9 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | 70.9 | 146.8 | 176.1 | -68 | 159.6 | 0 | 0 | 0 | 117.8 | ||||
| 9 | G | 27.6 | Very low | 30.9 | Very low | 61 Ų | 61 | 148.1 Ų | 148.1 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | cis | 168.3 | 172.6 | -9.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 10 | M | 26.8 | Very low | 30.8 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | 75.2 | 136.7 | 161.6 | -66.8 | 161.7 | 58.2 | 0 | 0 | 121.7 | ||||
| 11 | N | 30.9 | Very low | 31 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | -9.1 | 150 | 153.1 | -52.8 | 1.7 | 0 | 0 | 0 | 117.7 | ||||
| 12 | D | 29.5 | Very low | 31.2 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | -161.6 | 178.9 | 70.9 | -131.6 | -38.1 | 0 | 0 | 0 | 116.7 | |||||
| 13 | V | 32.3 | Very low | 31.2 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -107.9 | 126.3 | 177.8 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 14 | G | 29.7 | Very low | 31.1 | Very low | 75 Ų | 75 | 139.9 Ų | 139.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -163.4 | 151.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 15 | W | 27.2 | Very low | 30 | Very low | 244 Ų | 244 | 138.9 Ų | 138.9 | 92% | 0.924 | 79% | 0.785 | S | S | * | * | trans | -121 | 168 | -169.3 | -105.1 | 86.2 | 0 | 0 | 0 | 113.3 | ||||
| 16 | Q | 25.8 | Very low | 30.1 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | trans | 77.4 | 118.2 | 160.7 | -72.1 | -171 | -74.5 | 0 | 0 | 121.7 | ||||
| 17 | E | 32.7 | Very low | 29.9 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | 34.9 | 138 | 120.2 | -56.1 | 178.9 | 94.8 | 0 | 0 | 121.4 | |||||
| 18 | T | 28.6 | Very low | 29.8 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | -164.8 | 152.1 | 113.2 | -79.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 19 | R | 30.5 | Very low | 30.8 | Very low | 234 Ų | 234 | 135.9 Ų | 135.9 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -73.3 | 144 | -178.3 | -57.1 | 166.8 | 175.3 | 177.1 | -3.4 | 114.5 | ||||
| 20 | G | 29.6 | Very low | 30.8 | Very low | 79 Ų | 79 | 141 Ų | 141 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | 62.3 | 121.1 | 110.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 21 | G | 34.6 | Very low | 30.8 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | 91.2 | 147.3 | 129.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 22 | M | 32.4 | Very low | 30.6 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -169.8 | 155.6 | 163.4 | -105 | 158.2 | 69 | 0 | 0 | 107 | ||||
| 23 | L | 28.9 | Very low | 30.4 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | cis | -136.6 | 146.4 | 25.6 | -66.4 | 159.6 | 0 | 0 | 0 | 112.1 | ||||
| 24 | H | 28.7 | Very low | 30.1 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | -178.5 | 166 | 103.1 | -101.9 | -81.1 | 0 | 0 | 0 | 110 | |||||
| 25 | A | 34.2 | Very low | 30 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 66% | 0.661 | 80% | 0.804 | S | S | * | * | trans | -134.8 | 155.2 | -159 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 26 | N | 29.5 | Very low | 30 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | 168.1 | 153.5 | 125.1 | -86 | -28.4 | 0 | 0 | 0 | 112.7 | |||||
| 27 | G | 28.3 | Very low | 30 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | 100.3 | 128.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 28 | A | 27 | Very low | 29.7 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -132.7 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 29 | P | 51.6 | Low | 29.6 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | cis | -140 | -167 | -0.5 | 44.1 | -25.3 | 0 | 0 | 0 | 115.2 | ||||
| 30 | E | 28.7 | Very low | 29.5 | Very low | 170 Ų | 170 | 120 Ų | 120 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 67.4 | 116.2 | 147.4 | -78.5 | -177.2 | 144.6 | 0 | 0 | 125.2 | ||||
| 31 | S | 27 | Very low | 30 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | 72.7 | 164.7 | 134.4 | 81.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 32 | G | 26.5 | Very low | 29.7 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | 168.1 | -76.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 33 | G | 24.3 | Very low | 29.6 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 69.3 | -167.1 | 179 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 34 | V | 25.3 | Very low | 29.6 | Very low | 139 Ų | 139 | 120.6 Ų | 120.6 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | 70.6 | 136.8 | 177.3 | -169.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 35 | R | 27.6 | Very low | 29.6 | Very low | 227 Ų | 227 | 118.9 Ų | 118.9 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | cis | 159.8 | 167.1 | -25.4 | -178.3 | -167.4 | -158.2 | -154 | 11.1 | 106.3 | ||||
| 36 | V | 27.8 | Very low | 29.2 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 61% | 0.612 | 80% | 0.798 | S | S | * | * | trans | 102.7 | 116.8 | 153.5 | -171.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 37 | H | 27 | Very low | 29.1 | Very low | 191 Ų | 191 | 114.8 Ų | 114.8 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | 48.5 | 147.6 | 157.6 | -59.4 | -43.1 | 0 | 0 | 0 | 122.2 | ||||
| 38 | G | 26.4 | Very low | 29 | Very low | 78 Ų | 78 | 114.8 Ų | 114.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | cis | 149.8 | 158.5 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 39 | G | 25.9 | Very low | 28.9 | Very low | 82 Ų | 82 | 114 Ų | 114 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 136.6 | 110.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 40 | G | 27.8 | Very low | 27.7 | Very low | 73 Ų | 73 | 117.9 Ų | 117.9 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -87.2 | -155.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 41 | P | 40.2 | Very low | 27.7 | Very low | 117 Ų | 117 | 114.5 Ų | 114.5 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | cis | -110.2 | 170.9 | 21.9 | 7.7 | 17.9 | 0 | 0 | 0 | 113.1 | ||||
| 42 | L | 29 | Very low | 28.6 | Very low | 154 Ų | 154 | 114.8 Ų | 114.8 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | cis | 72.2 | 145.6 | 43 | -51.4 | 173.6 | 0 | 0 | 0 | 114.8 | ||||
| 43 | T | 29.4 | Very low | 28.6 | Very low | 117 Ų | 117 | 115.2 Ų | 115.2 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | cis | -170.1 | 158.8 | -25.7 | 24.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 44 | A | 29.5 | Very low | 28.6 | Very low | 87 Ų | 87 | 115.3 Ų | 115.3 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | trans | 52.5 | 137.6 | 137.5 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 45 | V | 28.1 | Very low | 29.5 | Very low | 151 Ų | 151 | 114.2 Ų | 114.2 | 92% | 0.915 | 81% | 0.808 | S | S | * | * | 15.5 | 131.2 | 125.3 | -173.2 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 46 | G | 25.6 | Very low | 29.4 | Very low | 76 Ų | 76 | 111.1 Ų | 111.1 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 163.6 | 149.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 47 | G | 28.1 | Very low | 29.4 | Very low | 86 Ų | 86 | 112.2 Ų | 112.2 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -153 | 163.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 48 | G | 26.6 | Very low | 29.4 | Very low | 84 Ų | 84 | 111.4 Ų | 111.4 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | 153.1 | 137.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 49 | G | 24.6 | Very low | 29.4 | Very low | 78 Ų | 78 | 110.6 Ų | 110.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 95 | 158.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 50 | Q | 26.4 | Very low | 29.5 | Very low | 191 Ų | 191 | 114.8 Ų | 114.8 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | cis | -167.1 | 104 | -17.4 | -147.8 | 178 | 44.2 | 0 | 0 | 113 | ||||
| 51 | A | 28.6 | Very low | 29.4 | Very low | 98 Ų | 98 | 116.9 Ų | 116.9 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 51.9 | -173.7 | 158 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 52 | P | 45.1 | Very low | 28.7 | Very low | 134 Ų | 134 | 121.6 Ų | 121.6 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | cis | -124.5 | 173.3 | -21.8 | 40.8 | -27 | 0 | 0 | 0 | 114.4 | ||||
| 53 | G | 26.8 | Very low | 28.4 | Very low | 81 Ų | 81 | 119.3 Ų | 119.3 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 156.4 | 126.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 54 | G | 25.2 | Very low | 28.2 | Very low | 76 Ų | 76 | 118.1 Ų | 118.1 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | -111.8 | -155.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 55 | P | 43.1 | Very low | 28.2 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | cis | -144.3 | -176.2 | 9.5 | 42.5 | -23 | 0 | 0 | 0 | 117.7 | ||||
| 56 | H | 27 | Very low | 28.1 | Very low | 161 Ų | 161 | 122.2 Ų | 122.2 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | trans | 77.9 | 124 | 142.9 | -90.7 | -16.4 | 0 | 0 | 0 | 125.3 | ||||
| 57 | L | 26.6 | Very low | 28.3 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | 68 | 158.2 | 133.3 | -60.8 | 168.7 | 0 | 0 | 0 | 118.9 | ||||
| 58 | Q | 27.2 | Very low | 29.1 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | cis | -157.5 | 164.3 | 3.4 | -143 | 154 | 0.3 | 0 | 0 | 112.7 | ||||
| 59 | G | 27.5 | Very low | 29.1 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | 92.5 | 134.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 60 | M | 27.2 | Very low | 29.8 | Very low | 171 Ų | 171 | 129 Ų | 129 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | cis | 75.3 | 131.1 | 34.2 | -54.4 | 171.7 | 70.6 | 0 | 0 | 113 | ||||
| 61 | D | 25.5 | Very low | 31 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | cis | -159.6 | -177.7 | 1.6 | -136.9 | -45.5 | 0 | 0 | 0 | 112.9 | ||||
| 62 | R | 25.7 | Very low | 31.1 | Very low | 217 Ų | 217 | 129.3 Ų | 129.3 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | -10.5 | 168.1 | 155.2 | -73.5 | 155.4 | 173.2 | -164.5 | -3.5 | 120.9 | ||||
| 63 | S | 23.7 | Very low | 32.1 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | cis | 172 | 160.6 | -21.4 | -83.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 64 | A | 25.2 | Very low | 33.6 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 68 | 128.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 65 | N | 28.4 | Very low | 34.4 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | 30.7 | 139.2 | 134 | -68.9 | -16.7 | 0 | 0 | 0 | 122.5 | ||||
| 66 | L | 26.1 | Very low | 34.2 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | -165.6 | 153.8 | 102.6 | -103.7 | 168.5 | 0 | 0 | 0 | 114.4 | |||||
| 67 | T | 30.6 | Very low | 34.7 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | -109.4 | 164.8 | 171.8 | 51 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 68 | P | 43.9 | Very low | 35 | Very low | 133 Ų | 133 | 133 Ų | 133 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | -144.1 | 169.7 | 99 | 34.6 | -17.1 | 0 | 0 | 0 | 113.9 | |||||
| 69 | G | 26.7 | Very low | 35.4 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | cis | -167.1 | -175 | 5.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 70 | T | 39.9 | Very low | 35.5 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -78.8 | 175.9 | -167.5 | 25.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 71 | P | 50.4 | Low | 35.8 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | cis | -149.2 | 136.7 | 29.8 | 38.5 | -14.5 | 0 | 0 | 0 | 122.5 | ||||
| 72 | Q | 31.5 | Very low | 36.4 | Very low | 181 Ų | 181 | 132 Ų | 132 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | 68.8 | 175.9 | 132.1 | -116.8 | -150.9 | 4.7 | 0 | 0 | 122 | ||||
| 73 | P | 65.2 | Low | 36.9 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 62% | 0.623 | 75% | 0.751 | S | S | * | * | -131.1 | -151.3 | -111.7 | 48.9 | -29.9 | 0 | 0 | 0 | 114.1 | |||||
| 74 | P | 58.8 | Low | 37.3 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | cis | -141.5 | -174.9 | -9.9 | 43.6 | -24.4 | 0 | 0 | 0 | 118.7 | ||||
| 75 | L | 41.3 | Very low | 37.5 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | 93.2 | 121.6 | 148.9 | -72.4 | 176.9 | 0 | 0 | 0 | 125.8 | ||||
| 76 | S | 39.7 | Very low | 37.6 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | 62.1 | 153 | 138.5 | -128 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 77 | G | 36.5 | Very low | 37.7 | Very low | 63 Ų | 63 | 127.5 Ų | 127.5 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | cis | 144.8 | 152.8 | -10.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 78 | R | 34.2 | Very low | 37.7 | Very low | 227 Ų | 227 | 130.1 Ų | 130.1 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | 97.1 | 156.1 | 173.8 | -64.2 | -161.7 | 104.6 | 148.3 | 8.2 | 118.6 | ||||
| 79 | S | 34.5 | Very low | 37 | Very low | 80 Ų | 80 | 131.8 Ų | 131.8 | 56% | 0.559 | 75% | 0.75 | S | S | * | * | cis | -177.1 | 171.8 | -12.3 | -91.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 80 | Q | 30.5 | Very low | 37 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 60% | 0.598 | 75% | 0.749 | S | S | * | * | cis | -172 | 136.7 | -23.8 | -99 | 176.9 | -97.8 | 0 | 0 | 111.2 | ||||
| 81 | D | 33.7 | Very low | 36.2 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 61.9 | 172.7 | 130.4 | -39.9 | -17 | 0 | 0 | 0 | 124.6 | ||||
| 82 | D | 37.4 | Very low | 34.9 | Very low | 157 Ų | 157 | 140 Ų | 140 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | -165.8 | 162.6 | -63 | -164 | 19.2 | 0 | 0 | 0 | 113.6 | |||||
| 83 | A | 37 | Very low | 34.6 | Very low | 66 Ų | 66 | 140 Ų | 140 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | trans | 36.7 | 137.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 84 | T | 31.4 | Very low | 32.8 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | 176.8 | 120.6 | 104.3 | 30 | 0 | 0 | 0 | 0 | 118 | |||||
| 85 | V | 30.6 | Very low | 31.3 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | 24.4 | 136 | 140 | -169.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 86 | G | 28.9 | Very low | 30.9 | Very low | 68 Ų | 68 | 144.1 Ų | 144.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 157.9 | 98.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 87 | Y | 29.1 | Very low | 30.4 | Very low | 234 Ų | 234 | 145.9 Ų | 145.9 | 92% | 0.918 | 76% | 0.756 | S | S | * | * | trans | 61 | -169.1 | 142.8 | -75.3 | -80.3 | 0 | 0 | 0 | 124 | ||||
| 88 | F | 30.2 | Very low | 30 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | -145.1 | 167.8 | -139.9 | -134.9 | -87 | 0 | 0 | 0 | 114.3 | ||||
| 89 | F | 29.4 | Very low | 29.7 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 74% | 0.737 | 76% | 0.756 | S | S | * | * | trans | 77.2 | 105.9 | 165.8 | -86.2 | -81.7 | 0 | 0 | 0 | 122.8 | ||||
| 90 | Q | 26.1 | Very low | 29.2 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | 65.4 | 139.6 | 120.1 | -167 | 166.5 | 28.9 | 0 | 0 | 125.4 | |||||
| 91 | R | 23 | Very low | 29.1 | Very low | 202 Ų | 202 | 144.1 Ų | 144.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 95.6 | 113.7 | 156.5 | -97.6 | -179.7 | -155.3 | -109.1 | 10.7 | 122.5 | ||||
| 92 | Q | 23.8 | Very low | 29.9 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 66% | 0.659 | 78% | 0.776 | S | S | * | * | trans | 55.1 | 136.8 | 132.9 | -72.6 | -169.7 | -65.4 | 0 | 0 | 125.7 | ||||
| 93 | H | 26.3 | Very low | 29.6 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | trans | 37.7 | 130.9 | 144.5 | -72.3 | -94.9 | 0 | 0 | 0 | 122.5 | ||||
| 94 | G | 26.8 | Very low | 29.4 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | 170.2 | 113.8 | 151 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 95 | E | 27.6 | Very low | 29.4 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | 66.9 | 169.3 | 145.1 | -58 | -153.1 | 113.3 | 0 | 0 | 123.2 | ||||
| 96 | Q | 31.9 | Very low | 29.1 | Very low | 180 Ų | 180 | 151.2 Ų | 151.2 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -172.5 | 134.9 | -147 | 166.7 | -168.5 | 90 | 0 | 0 | 110.2 | ||||
| 97 | L | 30.1 | Very low | 29 | Very low | 158 Ų | 158 | 158.4 Ų | 158.4 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -155.7 | 156.6 | 168.5 | -83.8 | 106.9 | 0 | 0 | 0 | 110.9 | ||||
| 98 | V | 28.1 | Very low | 29.9 | Very low | 137 Ų | 137 | 152.9 Ų | 152.9 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | cis | -172.8 | 156.9 | -32.7 | 83.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 99 | G | 27.2 | Very low | 30 | Very low | 64 Ų | 64 | 149.8 Ų | 149.8 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | cis | -131.5 | -127.7 | -11.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 100 | C | 23.5 | Very low | 29.9 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | cis | -144.6 | 158.6 | -4.9 | -82.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 101 | T | 29.1 | Very low | 30 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -130 | -149.3 | -172.9 | 65.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 102 | P | 50.2 | Low | 30.3 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -89.2 | -145.6 | 6.9 | 42 | -40.3 | 0 | 0 | 0 | 112.5 | ||||
| 103 | N | 30.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | cis | -164.3 | 162.7 | 5.7 | -113.5 | -18.8 | 0 | 0 | 0 | 106 | ||||
| 104 | K | 33.6 | Very low | 30.7 | Very low | 158 Ų | 158 | 141 Ų | 141 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | cis | -172.2 | 170.8 | -25.6 | -129.8 | -177 | -151.5 | 129.9 | 0 | 110.1 | ||||
| 105 | H | 31.1 | Very low | 30.7 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 71.2 | 138.9 | 172.5 | -52.5 | -82.9 | 0 | 0 | 0 | 118 | ||||
| 106 | R | 25 | Very low | 31 | Very low | 236 Ų | 236 | 142.2 Ų | 142.2 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | cis | -161.1 | 149.4 | -30.6 | -157.8 | 177.7 | -177 | -171.8 | -0.6 | 111.2 | ||||
| 107 | W | 26.1 | Very low | 30.9 | Very low | 219 Ų | 219 | 142.5 Ų | 142.5 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | -67.5 | 171.5 | 176 | -68.6 | 106.3 | 0 | 0 | 0 | 115.7 | ||||
| 108 | P | 49.4 | Very low | 31.2 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | cis | -129 | 176.7 | 34.8 | 34.1 | -12.5 | 0 | 0 | 0 | 116.7 | ||||
| 109 | T | 30.6 | Very low | 31.5 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | cis | 104 | 130 | 14 | -46.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 110 | G | 28.1 | Very low | 32.6 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | -172.4 | 147.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 111 | D | 28.3 | Very low | 33.5 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | -101 | 173.3 | -166.4 | -61.1 | -72.3 | 0 | 0 | 0 | 113.8 | ||||
| 112 | A | 28.8 | Very low | 34.2 | Very low | 75 Ų | 75 | 142 Ų | 142 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | cis | -174.7 | 178.6 | -26.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 113 | N | 28.1 | Very low | 33.8 | Very low | 168 Ų | 168 | 142 Ų | 142 | 90% | 0.898 | 74% | 0.74 | S | S | * | * | trans | 115.9 | 150.6 | 159.7 | -62.2 | -48 | 0 | 0 | 0 | 119.9 | ||||
| 114 | H | 30 | Very low | 34.4 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | trans | -79.7 | 155.9 | -178.2 | -88.6 | -31.6 | 0 | 0 | 0 | 114.7 | ||||
| 115 | V | 27.8 | Very low | 35 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | -174.3 | 152.5 | 102.2 | 150.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 116 | D | 34 | Very low | 35.6 | Very low | 154 Ų | 154 | 139 Ų | 139 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | trans | -62.1 | 140.5 | -179.1 | -68.7 | -78.7 | 0 | 0 | 0 | 114.8 | ||||
| 117 | Q | 29.8 | Very low | 36.2 | Very low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 70% | 0.697 | S | S | * | * | trans | -149 | 121.3 | 154.8 | -156.2 | 167.6 | 24.3 | 0 | 0 | 110.7 | R119 | Q117-R119 PolarHBondContact O-N 3.49Š| ||
| 118 | V | 36 | Very low | 36.7 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 86% | 0.855 | 69% | 0.693 | S | S | * | * | trans | -78.6 | 114.7 | 178.6 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 119 | R | 34.3 | Very low | 36.4 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 56% | 0.562 | 68% | 0.683 | S | S | * | * | trans | -73.7 | 147.3 | 174.4 | -66 | -166.7 | -173 | 177.8 | -0.3 | 111.7 | Q117 E123 D127 | Q117-R119 PolarHBondContact O-N 3.49Å; R119-E123 HydrophobicContact CB-CB 4.42Å; R119-E123 VanDerWaalsContact CB-OE2 3.3Å; R119-E123 WeakPolarHBondContact CB-OE2 3.4Å; R119-E123 WeakPolarHBondContact CG-OE2 3.45Å; R119-D127 IonicContact CZ-OD2 3.77Å; R119-D127 IonicContact NH1-OD2 2.98Å; R119-D127 PolarHBondContact NH1-OD2 3.2Å | ||
| 120 | T | 49.6 | Very low | 36.7 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 56% | 0.558 | 67% | 0.668 | S | S | * | * | trans | -81.9 | 160.7 | 174.7 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | D122 E123 M124 | T120-D122 VanDerWaalsContact C-N 3.27Å; T120-D122 PolarHBondContact O-N 3.34Å; T120-E123 PolarHBondContact O-N 3.36Å; T120-E123 VanDerWaalsContact O-N 3.15Å; T120-M124 PolarHBondContact O-N 3.28Å | ||
| 121 | V | 43.9 | Very low | 37 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 68% | 0.679 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -62.8 | -32.7 | -173.5 | 178.5 | 0 | 0 | 0 | 0 | 112.4 | M124 N125 | V121-M124 PolarHBondContact O-N 3.33Å; V121-N125 PolarHBondContact O-N 3.38Å |
| 122 | D | 43.2 | Very low | 37.5 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.5 | -29.3 | 177.1 | -68.9 | -64.8 | 0 | 0 | 0 | 113.6 | T120 N125 Y126 | T120-D122 VanDerWaalsContact C-N 3.27Å; T120-D122 PolarHBondContact O-N 3.34Å; D122-N125 PolarHBondContact O-N 3.29Å; D122-Y126 PolarHBondContact O-N 3.16Å |
| 123 | E | 40.9 | Very low | 37.9 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 45% | 0.453 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.2 | -43.6 | 172 | -78.5 | -171.7 | 131.2 | 0 | 0 | 111.3 | R119 T120 N125 Y126 D127 | R119-E123 HydrophobicContact CB-CB 4.42Å; R119-E123 VanDerWaalsContact CB-OE2 3.3Å; R119-E123 WeakPolarHBondContact CB-OE2 3.4Å; R119-E123 WeakPolarHBondContact CG-OE2 3.45Å; T120-E123 PolarHBondContact O-N 3.36Å; T120-E123 VanDerWaalsContact O-N 3.15Å; E123-N125 PolarHBondContact O-N 2.91Å; E123-Y126 PolarHBondContact O-N 2.92Å; E123-Y126 VanDerWaalsContact O-N 3.16Å; E123-D127 PolarHBondContact O-N 3.39Å |
| 124 | M | 44.1 | Very low | 38.1 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 55% | 0.552 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.7 | -33.6 | 174.7 | -80.4 | -173.9 | -73.8 | 0 | 0 | 112.4 | T120 V121 F128 | T120-M124 PolarHBondContact O-N 3.28Å; V121-M124 PolarHBondContact O-N 3.33Å; M124-F128 WeakPolarHBondContact O-CB 3.4Å; M124-F128 PolarHBondContact O-N 3.23Å |
| 125 | N | 45.4 | Very low | 38.1 | Very low | 95 Ų | 95 | 124 Ų | 124 | 51% | 0.508 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -72.3 | -33.4 | 177.2 | -158.7 | 18.5 | 0 | 0 | 0 | 112 | V121 D122 E123 Q129 | V121-N125 PolarHBondContact O-N 3.38Å; D122-N125 PolarHBondContact O-N 3.29Å; E123-N125 PolarHBondContact O-N 2.91Å; N125-Q129 PolarHBondContact O-N 3.47Å |
| 126 | Y | 43.6 | Very low | 38.8 | Very low | 180 Ų | 180 | 129.3 Ų | 129.3 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.3 | -43.5 | 170.7 | -105.5 | -84.2 | 0 | 0 | 0 | 112.6 | D122 E123 F128 Q129 A130 | D122-Y126 PolarHBondContact O-N 3.16Å; E123-Y126 PolarHBondContact O-N 2.92Å; E123-Y126 VanDerWaalsContact O-N 3.16Å; Y126-F128 VanDerWaalsContact C-N 3.27Å; Y126-F128 PolarHBondContact O-N 3.2Å; Y126-Q129 CarbonylContact O-C 3.6Å; Y126-Q129 WeakPolarHBondContact O-CA 3.41Å; Y126-Q129 PolarHBondContact O-N 3.45Å; Y126-A130 PolarHBondContact O-N 3.38Å |
| 127 | D | 38.4 | Very low | 38.4 | Very low | 66 Ų | 66 | 125.4 Ų | 125.4 | 35% | 0.353 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -60.7 | -36.5 | 176 | -81.2 | -25 | 0 | 0 | 0 | 111.6 | R119 E123 Q129 A130 L131 | R119-D127 IonicContact CZ-OD2 3.77Å; R119-D127 IonicContact NH1-OD2 2.98Å; R119-D127 PolarHBondContact NH1-OD2 3.2Å; E123-D127 PolarHBondContact O-N 3.39Å; D127-Q129 VanDerWaalsContact C-N 3.25Å; D127-Q129 PolarHBondContact O-N 3.17Å; D127-A130 PolarHBondContact O-N 3.3Å; D127-L131 PolarHBondContact O-N 3.44Å |
| 128 | F | 36.7 | Very low | 38.2 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 74% | 0.737 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68.4 | -23.1 | 175.2 | -144.9 | -90.8 | 0 | 0 | 0 | 113.2 | M124 Y126 | M124-F128 WeakPolarHBondContact O-CB 3.4Å; M124-F128 PolarHBondContact O-N 3.23Å; Y126-F128 VanDerWaalsContact C-N 3.27Å; Y126-F128 PolarHBondContact O-N 3.2Å |
| 129 | Q | 42.1 | Very low | 37.7 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 55% | 0.547 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -87.6 | -28.5 | 169.9 | -65.7 | -174.7 | 17.1 | 0 | 0 | 112.5 | N125 Y126 D127 A132 | N125-Q129 PolarHBondContact O-N 3.47Å; Y126-Q129 CarbonylContact O-C 3.6Å; Y126-Q129 WeakPolarHBondContact O-CA 3.41Å; Y126-Q129 PolarHBondContact O-N 3.45Å; D127-Q129 VanDerWaalsContact C-N 3.25Å; D127-Q129 PolarHBondContact O-N 3.17Å; Q129-A132 WeakPolarHBondContact O-CB 3.36Å; Q129-A132 PolarHBondContact O-N 3.33Å |
| 130 | A | 37 | Very low | 37.2 | Very low | 47 Ų | 47 | 123.9 Ų | 123.9 | 39% | 0.388 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -68.8 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y126 D127 A132 L133 E134 | Y126-A130 PolarHBondContact O-N 3.38Å; D127-A130 PolarHBondContact O-N 3.3Å; A130-A132 PolarHBondContact O-N 3.46Å; A130-A132 VanDerWaalsContact O-N 3.16Å; A130-L133 WeakPolarHBondContact O-CA 3.31Å; A130-L133 PolarHBondContact O-N 3.33Å; A130-E134 PolarHBondContact O-N 3.36Å; A130-E134 VanDerWaalsContact O-N 3.09Å |
| 131 | L | 34.7 | Very low | 36.1 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -19.3 | 172.6 | -77.1 | 168.4 | 0 | 0 | 0 | 113.4 | D127 | D127-L131 PolarHBondContact O-N 3.44Š|
| 132 | A | 39.3 | Very low | 35.3 | Very low | 83 Ų | 83 | 129 Ų | 129 | 69% | 0.686 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -5.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q129 A130 | Q129-A132 WeakPolarHBondContact O-CB 3.36Å; Q129-A132 PolarHBondContact O-N 3.33Å; A130-A132 PolarHBondContact O-N 3.46Å; A130-A132 VanDerWaalsContact O-N 3.16Å |
| 133 | L | 36.8 | Very low | 34.9 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 73% | 0.733 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | -23.2 | -177.2 | -72.4 | 167.3 | 0 | 0 | 0 | 113.7 | A130 S135 | A130-L133 WeakPolarHBondContact O-CA 3.31Å; A130-L133 PolarHBondContact O-N 3.33Å; L133-S135 PolarHBondContact O-N 3.44Å |
| 134 | E | 31.9 | Very low | 34.1 | Very low | 166 Ų | 166 | 130 Ų | 130 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | trans | -79 | 44.3 | -176.3 | -155.1 | 170.1 | -132.4 | 0 | 0 | 114.1 | A130 | A130-E134 PolarHBondContact O-N 3.36Å; A130-E134 VanDerWaalsContact O-N 3.09Å | ||
| 135 | S | 31.2 | Very low | 33.2 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -133.6 | 31.8 | 173.4 | -75.1 | 0 | 0 | 0 | 0 | 113.2 | L133 | L133-S135 PolarHBondContact O-N 3.44Š|
| 136 | R | 41 | Very low | 32.3 | Very low | 249 Ų | 249 | 135.7 Ų | 135.7 | 94% | 0.94 | 72% | 0.721 | S | S | * | * | trans | -144.4 | 100.8 | 163.8 | -76.8 | -169.7 | 169.7 | -173.6 | -3.2 | 111.4 | ||||
| 137 | G | 27 | Very low | 31.4 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 71% | 0.714 | S | S | * | * | trans | -164.5 | 129.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 138 | M | 25.2 | Very low | 30.8 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 99% | 0.99 | 73% | 0.726 | S | S | * | * | trans | 60.1 | 148.2 | 178.2 | -50.6 | -56.7 | -176.4 | 0 | 0 | 115.4 | ||||
| 139 | G | 25.1 | Very low | 30.2 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | cis | 156.5 | 148.5 | 2.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 140 | E | 25 | Very low | 29.5 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | cis | -162.9 | -174.8 | 12.9 | -153.1 | -172.4 | -159.3 | 0 | 0 | 110.1 | ||||
| 141 | L | 26.3 | Very low | 29 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | trans | 70.3 | 102.9 | 156.6 | -64.3 | 168.4 | 0 | 0 | 0 | 121 | ||||
| 142 | L | 27.1 | Very low | 28.7 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -62.7 | 158.7 | 151.4 | -70.6 | 163.6 | 0 | 0 | 0 | 111.2 | ||||
| 143 | P | 34.2 | Very low | 28 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | -152.2 | 146.4 | 84.9 | 37.8 | -18.4 | 0 | 0 | 0 | 118.3 | |||||
| 144 | T | 24.4 | Very low | 27.6 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 66.5 | 153.7 | 150.4 | 55.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 145 | K | 25 | Very low | 27.4 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 65% | 0.652 | 75% | 0.745 | S | S | * | * | cis | -105.8 | 173.3 | 22.4 | -72.6 | -174.8 | -179.9 | -177.7 | 0 | 116.3 | N440 A441 | K145-N440 PolarHBondContact NZ-O 3.12Å; K145-A441 PolarHBondContact NZ-O 3.39Å | ||
| 146 | K | 25.6 | Very low | 27.1 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | -153.1 | 164.1 | -167.2 | -160.6 | -163.4 | 178 | -170.6 | 0 | 107.9 | ||||
| 147 | I | 25.9 | Very low | 26.3 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 55% | 0.554 | 73% | 0.73 | S | S | * | * | trans | 72.3 | 136.5 | 168.8 | -57.3 | 160.7 | 0 | 0 | 0 | 111.8 | ||||
| 148 | W | 25.7 | Very low | 26.3 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 62% | 0.617 | 73% | 0.734 | S | S | * | * | cis | -115.9 | 155.7 | 26.8 | -79.3 | 88.3 | 0 | 0 | 0 | 113.3 | P443 P444 | W148-P443 HydrophobicContact CZ2-CB 3.55Å; W148-P443 HydrophobicContact CZ2-CG 4.08Å; W148-P444 HydrophobicContact CH2-CB 4.41Å; W148-P444 HydrophobicContact CZ2-CB 3.95Å | ||
| 149 | D | 23.3 | Very low | 26.4 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | cis | 74.7 | 140.3 | 19.7 | -101 | -50.5 | 0 | 0 | 0 | 115.7 | ||||
| 150 | S | 27.1 | Very low | 26.5 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 53% | 0.531 | 72% | 0.722 | S | S | . | * | cis | -152.4 | 166.6 | 0.2 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 151 | D | 27.5 | Very low | 26.5 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | 35.9 | 156.5 | 135.3 | -59 | -26.6 | 0 | 0 | 0 | 124.4 | ||||
| 152 | E | 27.6 | Very low | 26.4 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 70% | 0.696 | 72% | 0.723 | S | S | * | * | cis | -124.2 | -108.2 | -9.5 | -162.4 | -149 | 118.9 | 0 | 0 | 110.5 | A154 | E152-A154 WeakPolarHBondContact OE1-CB 3.45Å; E152-A154 PolarHBondContact OE1-N 3.47Å | ||
| 153 | L | 26.1 | Very low | 26.2 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | cis | -142.8 | 126.8 | -10.9 | 179.5 | 59.8 | 0 | 0 | 0 | 111 | ||||
| 154 | A | 27.3 | Very low | 25.8 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 59% | 0.587 | 72% | 0.721 | S | S | * | * | trans | -84.2 | 154.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E152 | E152-A154 WeakPolarHBondContact OE1-CB 3.45Å; E152-A154 PolarHBondContact OE1-N 3.47Å | ||
| 155 | K | 27 | Very low | 25.9 | Very low | 203 Ų | 203 | 135.7 Ų | 135.7 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | trans | -159.1 | 150.1 | 147.1 | -117.4 | 158.6 | -171 | 166.4 | 0 | 114 | ||||
| 156 | D | 25.1 | Very low | 25.9 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | -57.6 | 156.4 | -176 | -60.7 | -99.3 | 0 | 0 | 0 | 115.1 | ||||
| 157 | G | 25.4 | Very low | 26 | Very low | 63 Ų | 63 | 129.5 Ų | 129.5 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | cis | 135.3 | 177.9 | -0.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 158 | R | 27 | Very low | 25.9 | Very low | 215 Ų | 215 | 128.9 Ų | 128.9 | 81% | 0.811 | 67% | 0.67 | S | S | * | * | trans | 68.3 | 150 | 179.9 | -55.6 | 173.4 | 178.3 | -155 | -4.1 | 113.7 | ||||
| 159 | K | 26.9 | Very low | 25.8 | Very low | 191 Ų | 191 | 126.3 Ų | 126.3 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | cis | -161 | 149.9 | -14.5 | -101.2 | 168 | -179.2 | -170.2 | 0 | 103.7 | ||||
| 160 | G | 26.4 | Very low | 25.8 | Very low | 62 Ų | 62 | 127.2 Ų | 127.2 | 64% | 0.639 | 67% | 0.67 | S | S | * | * | cis | 144.5 | 152.4 | 4.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 161 | M | 24.8 | Very low | 25.7 | Very low | 181 Ų | 181 | 128.1 Ų | 128.1 | 89% | 0.892 | 68% | 0.682 | S | S | * | * | trans | 67.5 | 154.5 | 176.5 | -57.6 | 157.6 | 60.7 | 0 | 0 | 115.7 | ||||
| 162 | L | 24.3 | Very low | 25.7 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 71% | 0.707 | 69% | 0.692 | S | S | * | * | cis | -161.6 | 169.9 | -20.8 | -108.9 | 172 | 0 | 0 | 0 | 109.2 | ||||
| 163 | L | 24.3 | Very low | 25.4 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 82% | 0.817 | 70% | 0.699 | S | S | * | * | trans | -23.1 | 160.7 | 158.5 | -86.8 | 55.9 | 0 | 0 | 0 | 118 | ||||
| 164 | G | 25.9 | Very low | 25.3 | Very low | 66 Ų | 66 | 128.6 Ų | 128.6 | 68% | 0.68 | 70% | 0.698 | S | S | * | * | cis | -139.7 | -178.5 | -0.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 165 | E | 26.1 | Very low | 25.3 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 53% | 0.533 | 70% | 0.701 | S | S | . | * | cis | 66.9 | 133.2 | 25.9 | -124.6 | 173.8 | -95.2 | 0 | 0 | 114.5 | M1193 | E165-M1193 VanDerWaalsContact OE1-CE 3.26Å; E165-M1193 WeakPolarHBondContact OE1-CE 3.23Å; E165-M1193 WeakPolarHBondContact OE2-CA 3.41Å | ||
| 166 | E | 24.2 | Very low | 25.2 | Very low | 73 Ų | 73 | 127.8 Ų | 127.8 | 34% | 0.341 | 70% | 0.695 | S | S | . | * | trans | 88.8 | 150.3 | 153.3 | -60.6 | -173.3 | 115.8 | 0 | 0 | 123.1 | S1195 G1196 G1197 | E166-S1195 PolarHBondContact OE1-N 3.37Å; E166-G1196 VanDerWaalsContact CD-CA 3.45Å; E166-G1196 VanDerWaalsContact CD-N 3.3Å; E166-G1196 VanDerWaalsContact OE1-CA 3.26Å; E166-G1196 WeakPolarHBondContact OE1-CA 3.15Å; E166-G1196 PolarHBondContact OE1-N 3.43Å; E166-G1197 PolarHBondContact OE1-N 2.72Å; E166-G1197 WeakPolarHBondContact OE2-CA 2.81Å; E166-G1197 PolarHBondContact OE2-N 2.88Å | ||
| 167 | W | 27.2 | Very low | 25.3 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 47% | 0.47 | 69% | 0.693 | S | S | . | * | cis | -168.2 | -169.2 | -38.3 | -129.9 | 88.6 | 0 | 0 | 0 | 110.8 | M1193 K1194 | W167-M1193 VanDerWaalsContact CD1-O 3.24Å; W167-M1193 PolarHBondContact NE1-O 2.87Å; W167-K1194 HydrophobicContact CE3-CD 4.16Å; W167-K1194 HydrophobicContact CH2-CD 3.44Å; W167-K1194 VanDerWaalsContact CH2-CD 3.44Å; W167-K1194 HydrophobicContact CH2-CG 3.96Å; W167-K1194 HydrophobicContact CZ2-CD 3.74Å; W167-K1194 HydrophobicContact CZ2-CG 3.68Å; W167-K1194 HydrophobicContact CZ3-CD 3.62Å; W167-K1194 HydrophobicContact CZ3-CG 4.36Å | ||
| 168 | R | 25.5 | Very low | 25.3 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 36% | 0.358 | 70% | 0.698 | S | S | . | * | trans | 78.6 | 156.3 | 163.1 | -56.3 | -67.7 | -169.9 | 147.5 | 10.5 | 115.8 | S1195 E1199 | R168-S1195 VanDerWaalsContact NE-C 3.35Å; R168-S1195 PolarHBondContact NE-O 2.64Å; R168-S1195 PolarHBondContact NH2-O 3.26Å; R168-E1199 IonicContact CZ-OE2 2.68Å; R168-E1199 IonicContact NH1-OE2 2.7Å; R168-E1199 IonicContact NH2-OE2 2.89Å; R168-E1199 PolarHBondContact NH2-OE2 2.74Å | ||
| 169 | E | 22.8 | Very low | 25.2 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 51% | 0.509 | 70% | 0.696 | S | S | . | * | cis | -162 | 179 | -34.7 | -123.1 | 178.2 | -143.8 | 0 | 0 | 110.9 | ||||
| 170 | N | 24.3 | Very low | 25.2 | Very low | 138 Ų | 138 | 121.5 Ų | 121.5 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | trans | 12.6 | 148 | 148.2 | -56 | -37.9 | 0 | 0 | 0 | 120.6 | ||||
| 171 | A | 23.1 | Very low | 25.2 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | cis | -154.3 | -155.9 | 28.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 172 | W | 28.1 | Very low | 25.3 | Very low | 268 Ų | 268 | 123.3 Ų | 123.3 | 100% | 1.015 | 69% | 0.686 | S | S | * | * | trans | -90.8 | 149.1 | -168.6 | -68.3 | 52.8 | 0 | 0 | 0 | 114.5 | ||||
| 173 | G | 22.5 | Very low | 25.3 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | trans | -168.1 | 152.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 174 | S | 22.8 | Very low | 25.3 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | trans | -88.9 | 137.6 | -161.5 | -155 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 175 | S | 26.7 | Very low | 25.3 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | trans | 63.9 | 137.2 | 141.7 | -54.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 176 | H | 25.3 | Very low | 25.2 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | 81.1 | 159 | 159.1 | -65.1 | -59.5 | 0 | 0 | 0 | 120.6 | ||||
| 177 | H | 27.7 | Very low | 25.3 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | -97.2 | 153.7 | -147.4 | -34.1 | -82.5 | 0 | 0 | 0 | 112.4 | ||||
| 178 | S | 25.9 | Very low | 25.2 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | -175.2 | 133.9 | 87 | -72.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 179 | V | 24.4 | Very low | 25.3 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | 63.4 | 109.2 | 129.6 | -171.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 180 | S | 27.7 | Very low | 25.5 | Very low | 90 Ų | 90 | 143.6 Ų | 143.6 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | 79 | 119.6 | 140.8 | 78.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 181 | Q | 25 | Very low | 25.6 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | 159.5 | 136.1 | 104.5 | -82.1 | -58.5 | -11.5 | 0 | 0 | 111.2 | |||||
| 182 | P | 26.4 | Very low | 25.7 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 134 | 177.4 | 35.7 | -29 | 0 | 0 | 0 | 113.4 | ||
| 183 | I | 25.3 | Very low | 25.4 | Very low | 172 Ų | 172 | 142 Ų | 142 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -86 | 128 | 165.3 | -70.4 | 178.2 | 0 | 0 | 0 | 109.5 | ||
| 184 | M | 24.4 | Very low | 25.5 | Very low | 162 Ų | 162 | 147 Ų | 147 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 146.3 | 175.5 | -61.7 | 178.3 | -75.2 | 0 | 0 | 111.8 | ||
| 185 | V | 25.9 | Very low | 25.7 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -111.4 | 116 | 155.3 | -180 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 186 | Q | 23.9 | Very low | 25.6 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 143.7 | -176 | -68.8 | 161.7 | -45.3 | 0 | 0 | 112.2 | ||
| 187 | R | 27.3 | Very low | 25.8 | Very low | 248 Ų | 248 | 143.7 Ų | 143.7 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -91 | 126.5 | 144.1 | -73.1 | -177.3 | 174 | -113.6 | -0.5 | 107.7 | ||
| 188 | R | 25 | Very low | 25.7 | Very low | 227 Ų | 227 | 143.1 Ų | 143.1 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 157.2 | 169.2 | -97.6 | -162.3 | 171.3 | -155.2 | -0.9 | 111.1 | ||
| 189 | P | 27.2 | Very low | 25.7 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -110 | 167.5 | -151.8 | 40.8 | -35.2 | 0 | 0 | 0 | 114.7 | ||||
| 190 | G | 26.6 | Very low | 25.8 | Very low | 76 Ų | 76 | 144.7 Ų | 144.7 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -105.8 | 125.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 191 | Q | 26.5 | Very low | 25.7 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -80 | 154.3 | 164.8 | -69.9 | 179.2 | -28.2 | 0 | 0 | 109.3 | ||||
| 192 | G | 25 | Very low | 25.8 | Very low | 58 Ų | 58 | 143.6 Ų | 143.6 | 60% | 0.598 | 80% | 0.797 | S | S | * | * | cis | 134.2 | 162.3 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 193 | F | 22.6 | Very low | 25.7 | Very low | 217 Ų | 217 | 146.3 Ų | 146.3 | 95% | 0.952 | 81% | 0.805 | S | S | * | * | trans | -168.7 | 153 | 148.8 | -117.3 | -82.8 | 0 | 0 | 0 | 108.7 | ||||
| 194 | H | 24.6 | Very low | 26 | Very low | 189 Ų | 189 | 143.7 Ų | 143.7 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | -124.8 | 157.5 | -164.9 | -73.6 | -90.6 | 0 | 0 | 0 | 114.3 | ||||
| 195 | G | 26.1 | Very low | 26.6 | Very low | 78 Ų | 78 | 142.2 Ų | 142.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 174.8 | 122.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 196 | N | 25.9 | Very low | 26.7 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -153.8 | 151.3 | -177.1 | -173.5 | 78.7 | 0 | 0 | 0 | 112.3 | ||||
| 197 | G | 28.1 | Very low | 27 | Very low | 55 Ų | 55 | 143.9 Ų | 143.9 | 57% | 0.567 | 80% | 0.804 | S | S | * | * | trans | 101.7 | 145.2 | 170 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 198 | D | 25.4 | Very low | 27.1 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | cis | -154.7 | 171.8 | -10.7 | -102.8 | -45.6 | 0 | 0 | 0 | 111.1 | ||||
| 199 | T | 26.4 | Very low | 27.4 | Very low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -17.4 | 145.9 | 172.9 | 69.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 200 | N | 26.1 | Very low | 27.5 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | cis | -171.9 | 129.4 | 31 | -153 | -7.8 | 0 | 0 | 0 | 111.4 | ||||
| 201 | S | 26.2 | Very low | 27.5 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | 165.6 | 122.1 | 149.7 | -84.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 202 | V | 27.6 | Very low | 27.7 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 78% | 0.782 | 82% | 0.817 | S | S | * | * | trans | 42.8 | 140.1 | 138.7 | -145.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 203 | L | 24 | Very low | 28 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | trans | 95 | 141.2 | 163.7 | -56 | 179.7 | 0 | 0 | 0 | 118 | ||||
| 204 | S | 30.9 | Very low | 28.2 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -93.4 | 167.2 | -172.4 | -43.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 205 | P | 37.7 | Very low | 28.3 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | -142.6 | 177.6 | 109.1 | 40.1 | -27.8 | 0 | 0 | 0 | 116.5 | |||||
| 206 | R | 27.2 | Very low | 28.5 | Very low | 232 Ų | 232 | 130.9 Ų | 130.9 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | trans | -52.9 | 149.7 | 180 | -87.8 | 178.6 | 163.6 | 124.6 | -5.9 | 118.2 | ||||
| 207 | S | 30 | Very low | 28.5 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | 61.3 | 110.5 | 129.6 | -56.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 208 | E | 30.2 | Very low | 28.5 | Very low | 208 Ų | 208 | 133.7 Ų | 133.7 | 97% | 0.972 | 82% | 0.816 | S | S | * | * | -120.6 | 168.4 | 120.9 | -78.1 | -149.1 | 121.5 | 0 | 0 | 109.5 | |||||
| 209 | G | 31 | Very low | 28.7 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -160.2 | 125.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 210 | G | 28.8 | Very low | 28.8 | Very low | 84 Ų | 84 | 136 Ų | 136 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | 166.4 | 135.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 211 | G | 28.3 | Very low | 28.9 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 112.8 | 108 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 212 | L | 29.5 | Very low | 28.8 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | trans | -34.4 | 148.1 | 154.5 | -51.8 | 160 | 0 | 0 | 0 | 113.4 | ||||
| 213 | G | 30.8 | Very low | 28.7 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | cis | 132.9 | 71.5 | 2.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 214 | V | 26.8 | Very low | 28.8 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | -140.3 | 147.9 | 164.6 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 215 | S | 28 | Very low | 29 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -93 | 132.5 | -175.6 | 173.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 216 | M | 30.1 | Very low | 28.6 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | trans | -163.4 | 144.6 | 143.3 | -160.4 | 61.1 | 178.4 | 0 | 0 | 110.4 | ||||
| 217 | V | 24.6 | Very low | 28.6 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | trans | 173.4 | 138.5 | 144.6 | 145 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 218 | E | 29.9 | Very low | 28.4 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | trans | -82.6 | 171.6 | 177.7 | -60.8 | 162.9 | 96.5 | 0 | 0 | 112.6 | ||||
| 219 | Y | 28.5 | Very low | 28.2 | Very low | 202 Ų | 202 | 131.6 Ų | 131.6 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | trans | -131.8 | 100.9 | 174.3 | -116.4 | -86.1 | 0 | 0 | 0 | 114.5 | ||||
| 220 | V | 28.7 | Very low | 28 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | 30 | 103.3 | 136 | -171.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 221 | L | 28.2 | Very low | 27.9 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 65% | 0.654 | 82% | 0.815 | S | S | * | * | 48.4 | 152.4 | 127.8 | -57.4 | 174.5 | 0 | 0 | 0 | 122.9 | |||||
| 222 | S | 24.3 | Very low | 28.2 | Very low | 123 Ų | 123 | 144 Ų | 144 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -148.4 | 161.1 | 165.1 | -69.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 223 | S | 26 | Very low | 28 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -139.3 | 132.5 | -168.3 | -56.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 224 | S | 26 | Very low | 27.8 | Very low | 116 Ų | 116 | 154.5 Ų | 154.5 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | 67.9 | 163.6 | 149.8 | -52.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 225 | P | 35.5 | Very low | 27.9 | Very low | 132 Ų | 132 | 154.5 Ų | 154.5 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | -133.2 | 177.9 | -51.5 | 38.9 | -24.6 | 0 | 0 | 0 | 112.3 | |||||
| 226 | G | 27.7 | Very low | 27.8 | Very low | 74 Ų | 74 | 152.6 Ų | 152.6 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -165 | 137.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 227 | D | 27.6 | Very low | 27.6 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -73.5 | 163.2 | -175.8 | -71.1 | -67.8 | 0 | 0 | 0 | 114.7 | ||||
| 228 | K | 26.6 | Very low | 27.7 | Very low | 211 Ų | 211 | 153.8 Ų | 153.8 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | trans | -126.6 | 119.3 | 158.1 | -75.8 | -170.7 | 175.4 | -177.3 | 0 | 110.3 | ||||
| 229 | M | 25.8 | Very low | 27.6 | Very low | 195 Ų | 195 | 150.4 Ų | 150.4 | 96% | 0.961 | 83% | 0.829 | S | S | * | * | trans | -97.2 | 126 | 173.4 | -159.3 | 172.4 | -161.6 | 0 | 0 | 108.8 | ||||
| 230 | E | 27.3 | Very low | 27.5 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -93.1 | 138.2 | 179 | -170.3 | 162.7 | -131.8 | 0 | 0 | 111.1 | ||||
| 231 | G | 26.8 | Very low | 27.4 | Very low | 76 Ų | 76 | 142.9 Ų | 142.9 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | trans | -155.8 | 70.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 232 | R | 32.6 | Very low | 27.3 | Very low | 233 Ų | 233 | 144.1 Ų | 144.1 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | trans | -113.1 | 121 | 149.9 | -70.5 | -162 | -167.8 | -155.7 | 9.2 | 108.9 | ||||
| 233 | Y | 27.3 | Very low | 27.6 | Very low | 227 Ų | 227 | 144 Ų | 144 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | 177.2 | 112.6 | 140.8 | -93.8 | -56.8 | 0 | 0 | 0 | 111.4 | ||||
| 234 | R | 26.1 | Very low | 27.6 | Very low | 247 Ų | 247 | 145.4 Ų | 145.4 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | -167.1 | 161 | 124.1 | -136 | 173.2 | -178.3 | -171.3 | -0.3 | 111.6 | |||||
| 235 | N | 27.9 | Very low | 27.8 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | -159.7 | 163 | -73.5 | -166.6 | 6 | 0 | 0 | 0 | 107.6 | |||||
| 236 | G | 25.6 | Very low | 27.3 | Very low | 75 Ų | 75 | 148.9 Ų | 148.9 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | 144.9 | 109.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 237 | G | 25.6 | Very low | 27.4 | Very low | 68 Ų | 68 | 148.4 Ų | 148.4 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | 158.4 | 86.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 238 | Y | 28.5 | Very low | 27.4 | Very low | 233 Ų | 233 | 151 Ų | 151 | 91% | 0.914 | 83% | 0.826 | S | S | * | * | trans | -20.4 | 141 | 166.7 | -57.8 | -97.5 | 0 | 0 | 0 | 116 | ||||
| 239 | G | 26.7 | Very low | 27.5 | Very low | 81 Ų | 81 | 147.3 Ų | 147.3 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | cis | 87.6 | 128.4 | 31.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 240 | G | 25.8 | Very low | 27.7 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | cis | -179.1 | -174 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 241 | G | 27.9 | Very low | 27.8 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | 108.9 | 151.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 242 | D | 25.7 | Very low | 28 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | cis | -161.1 | 176.8 | -12.3 | -142.5 | -32 | 0 | 0 | 0 | 111.3 | ||||
| 243 | T | 29.7 | Very low | 28.2 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | trans | 62.4 | 89.8 | 164.1 | 50.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 244 | D | 27.8 | Very low | 28.3 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | 56.6 | 149.1 | 105.7 | -100.9 | 15.3 | 0 | 0 | 0 | 125.9 | |||||
| 245 | Q | 28.8 | Very low | 28.5 | Very low | 154 Ų | 154 | 122.7 Ų | 122.7 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | trans | 79.8 | 105 | 145.4 | -76.4 | 167.7 | 58.8 | 0 | 0 | 121.8 | ||||
| 246 | D | 26.2 | Very low | 28.5 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 89% | 0.893 | 72% | 0.719 | S | S | * | * | 43.1 | 140.4 | 115.7 | -80.6 | -46.1 | 0 | 0 | 0 | 121.8 | |||||
| 247 | G | 28.6 | Very low | 28.5 | Very low | 65 Ų | 65 | 126 Ų | 126 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | 132.7 | 80.3 | 119.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 248 | R | 28.9 | Very low | 28.9 | Very low | 221 Ų | 221 | 127.5 Ų | 127.5 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | trans | 68.8 | 160.6 | 132.8 | -91.6 | 175.1 | 172.3 | -135.5 | 10.8 | 122.5 | ||||
| 249 | E | 27.9 | Very low | 29.3 | Very low | 134 Ų | 134 | 121.6 Ų | 121.6 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | trans | 64.4 | 103.5 | 152 | -75.1 | 155.5 | -145.9 | 0 | 0 | 118.2 | ||||
| 250 | K | 29.8 | Very low | 29.3 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 43% | 0.43 | 70% | 0.704 | S | S | . | * | 64.3 | 95.8 | 63.4 | -57.5 | -164 | 97.2 | 176.7 | 0 | 114.1 | D562 T564 | K250-D562 WeakPolarHBondContact CE-OD1 3.33Å; K250-D562 IonicContact NZ-OD1 2.86Å; K250-D562 PolarHBondContact NZ-OD1 3.07Å; K250-D562 IonicContact NZ-OD2 3.61Å; K250-D562 PolarHBondContact NZ-OD2 3.42Å; K250-T564 HydrophobicContact CB-CG2 3.8Å; K250-T564 WeakPolarHBondContact CE-OG1 3.37Å; K250-T564 HydrophobicContact CG-CG2 4.15Å | |||
| 251 | S | 28.9 | Very low | 29.5 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | trans | 166.2 | 149.5 | 130.3 | -73.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 252 | D | 32.3 | Very low | 29.7 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 42% | 0.422 | 70% | 0.696 | S | S | . | * | cis | 167.6 | 166.2 | -24 | -141.9 | -52.6 | 0 | 0 | 0 | 106.8 | Q563 | D252-Q563 VanDerWaalsContact OD1-CB 3.24Å; D252-Q563 WeakPolarHBondContact OD1-CB 3.32Å; D252-Q563 VanDerWaalsContact OD1-CD 3.25Å; D252-Q563 WeakPolarHBondContact OD1-CG 3.32Å; D252-Q563 PolarHBondContact OD1-NE2 3.45Å | ||
| 253 | V | 36.1 | Very low | 30 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 59% | 0.594 | 69% | 0.688 | S | S | * | * | trans | 76.7 | 106 | 153.3 | 174.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 254 | Q | 28.8 | Very low | 29.9 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | trans | 71.7 | 132.2 | 130.5 | -74.8 | 176.7 | -116.1 | 0 | 0 | 127.2 | ||||
| 255 | E | 31 | Very low | 30 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 58% | 0.575 | 68% | 0.684 | S | S | * | * | 83.1 | 108.4 | 129.5 | -76.2 | -169.3 | 117.8 | 0 | 0 | 124.6 | |||||
| 256 | K | 27.6 | Very low | 31 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | 77.3 | 125.5 | 119.7 | -79.2 | -179 | -177.3 | 156.7 | 0 | 122.1 | |||||
| 257 | V | 26 | Very low | 31.1 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 79% | 0.794 | 68% | 0.677 | S | S | * | * | trans | 82.2 | 103.8 | 133.8 | 176.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 258 | S | 33.1 | Very low | 31.1 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | trans | -21.6 | 156.1 | 148.3 | -169.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 259 | P | 37.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 71% | 0.714 | 69% | 0.685 | S | S | * | * | -142 | 144.6 | 108.1 | 37.7 | -25.3 | 0 | 0 | 0 | 117.2 | |||||
| 260 | F | 28 | Very low | 31.1 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 70% | 0.702 | 70% | 0.695 | S | S | * | * | trans | 62 | 130.7 | 141.9 | -83.9 | -118.8 | 0 | 0 | 0 | 120.7 | ||||
| 261 | E | 29.8 | Very low | 31.1 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | 63.3 | 149.3 | 91.3 | -61.5 | -171.2 | 175.3 | 0 | 0 | 114.7 | |||||
| 262 | E | 31.8 | Very low | 31 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | cis | -154.7 | 154.7 | 5.8 | -149.1 | -106.7 | -172.2 | 0 | 0 | 105.2 | K264 | E262-K264 IonicContact OE1-NZ 3.67Å; E262-K264 PolarHBondContact OE1-NZ 2.81Å; E262-K264 IonicContact OE2-NZ 3.12Å; E262-K264 PolarHBondContact OE2-NZ 2.93Å | ||
| 263 | D | 30.7 | Very low | 30.8 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | cis | -175.9 | -166.7 | -19.1 | 174.9 | 30.6 | 0 | 0 | 0 | 106.7 | ||||
| 264 | K | 29.2 | Very low | 30.5 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 60% | 0.6 | 72% | 0.723 | S | S | * | * | trans | 77 | 117 | 158 | -71.6 | 160.6 | -159.2 | 65.7 | 0 | 120.1 | E262 | E262-K264 IonicContact OE1-NZ 3.67Å; E262-K264 PolarHBondContact OE1-NZ 2.81Å; E262-K264 IonicContact OE2-NZ 3.12Å; E262-K264 PolarHBondContact OE2-NZ 2.93Å | ||
| 265 | S | 28.5 | Very low | 30.5 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -63.7 | 178.7 | 148.6 | -37.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 266 | P | 50.3 | Low | 31.5 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | cis | -145.1 | -158.1 | 12.1 | 42.4 | -19.9 | 0 | 0 | 0 | 116.4 | ||||
| 267 | E | 28.2 | Very low | 31.8 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | 103.6 | 110.9 | 145.5 | -93.8 | -177.1 | 112.8 | 0 | 0 | 123.9 | ||||
| 268 | M | 29.1 | Very low | 32.1 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 82% | 0.823 | 74% | 0.738 | S | S | * | * | trans | 34.4 | 125.6 | 136.4 | -65.3 | -166.2 | -176.6 | 0 | 0 | 123.8 | ||||
| 269 | K | 28.6 | Very low | 31.9 | Very low | 196 Ų | 196 | 137.6 Ų | 137.6 | 85% | 0.852 | 75% | 0.745 | S | S | * | * | -165 | 126 | 117.3 | -103 | 170.5 | 179.4 | 177.5 | 0 | 109.3 | |||||
| 270 | V | 28.5 | Very low | 31.7 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | 89.4 | 136.3 | 74.9 | 165.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 271 | G | 29.8 | Very low | 31.9 | Very low | 58 Ų | 58 | 136.2 Ų | 136.2 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | trans | 112 | 115.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 272 | E | 26.6 | Very low | 32 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | 71.7 | 135.7 | 62 | -69.7 | 176.7 | 94.4 | 0 | 0 | 113.7 | |||||
| 273 | D | 28.3 | Very low | 31.8 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | -165 | 173.6 | -23.5 | -152.4 | -11.3 | 0 | 0 | 0 | 110.1 | ||||
| 274 | N | 28.4 | Very low | 31.9 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | trans | 34.2 | 106.6 | 159.1 | -74.3 | -69.9 | 0 | 0 | 0 | 121.8 | ||||
| 275 | D | 29.2 | Very low | 31.8 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | 44 | -173.6 | 102.7 | -135.4 | 25.3 | 0 | 0 | 0 | 120.5 | |||||
| 276 | P | 52.4 | Low | 32.1 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | -130.7 | 161.8 | -107.1 | 42.1 | -25.3 | 0 | 0 | 0 | 119.4 | |||||
| 277 | A | 34.2 | Very low | 31.1 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | 72.6 | 151.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 278 | K | 33 | Very low | 31.2 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | 68.4 | 127.5 | 167.7 | -61.5 | 177.2 | 179.9 | 172.2 | 0 | 119.2 | ||||
| 279 | S | 27.3 | Very low | 31.3 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | 179.7 | 170.6 | 112.2 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 280 | N | 34.2 | Very low | 31.6 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | -119.1 | 124.3 | -176.2 | -100.8 | -22 | 0 | 0 | 0 | 112.1 | ||||
| 281 | G | 31.6 | Very low | 32.1 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | 86.8 | 154.2 | 136.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 282 | R | 31.7 | Very low | 32.1 | Very low | 259 Ų | 259 | 142.1 Ų | 142.1 | 98% | 0.977 | 79% | 0.786 | S | S | * | * | trans | 70.2 | 146.2 | -176.2 | -55.3 | 179.8 | 176.4 | -90 | 1.5 | 114.3 | ||||
| 283 | G | 27.8 | Very low | 32.4 | Very low | 63 Ų | 63 | 142.1 Ų | 142.1 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | cis | 166.2 | -177.8 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 284 | L | 32.4 | Very low | 32.3 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | 76.1 | 152.4 | 177 | -49.5 | 178.4 | 0 | 0 | 0 | 114.8 | ||||
| 285 | L | 27.9 | Very low | 32.3 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | cis | -160.9 | 150.2 | -6.1 | -118.6 | 165.5 | 0 | 0 | 0 | 110.9 | ||||
| 286 | N | 33.8 | Very low | 32.8 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | 56.8 | 139.8 | 166 | -60.7 | -18.4 | 0 | 0 | 0 | 118.5 | ||||
| 287 | G | 30.8 | Very low | 31.7 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | cis | -162.1 | -150 | -1.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 288 | M | 28.9 | Very low | 31.9 | Very low | 186 Ų | 186 | 147.6 Ų | 147.6 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | cis | -162.5 | 174.5 | -7.9 | -145.8 | 169.4 | -173.4 | 0 | 0 | 109.2 | ||||
| 289 | D | 31.9 | Very low | 31.9 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | -90.7 | 153.7 | -156.4 | -47.1 | -96.4 | 0 | 0 | 0 | 118 | ||||
| 290 | R | 34.9 | Very low | 31.9 | Very low | 233 Ų | 233 | 141.7 Ų | 141.7 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | -156.4 | 107.4 | 126 | -128.2 | 179.3 | 179.7 | 170.2 | 3.9 | 116.2 | |||||
| 291 | D | 38.5 | Very low | 31.7 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | trans | 46.2 | 124.6 | 138.8 | -73.8 | -59.7 | 0 | 0 | 0 | 123.3 | ||||
| 292 | C | 30.9 | Very low | 31.5 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | trans | 68.1 | 138.8 | 135.5 | -67.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 293 | K | 32 | Very low | 31.1 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | cis | -153 | 161.4 | 20.1 | -136.7 | 162.5 | -169.7 | 172.4 | 0 | 113.4 | ||||
| 294 | D | 27.5 | Very low | 30.9 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | trans | -59.4 | 149.7 | 176.2 | -41.4 | -101.1 | 0 | 0 | 0 | 112.8 | ||||
| 295 | F | 27.8 | Very low | 30.7 | Very low | 200 Ų | 200 | 138 Ų | 138 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | -177.3 | 122.4 | 100.6 | -107.1 | -81.2 | 0 | 0 | 0 | 111.9 | |||||
| 296 | N | 38.5 | Very low | 30.9 | Very low | 128 Ų | 128 | 138 Ų | 138 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | trans | -86.4 | 140.6 | 156.8 | -157.3 | 0.8 | 0 | 0 | 0 | 106 | ||||
| 297 | P | 30.8 | Very low | 30.9 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | -153.5 | 149.3 | 84.5 | 38.3 | -18.5 | 0 | 0 | 0 | 118 | |||||
| 298 | I | 38.8 | Very low | 31.1 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | -43 | 131.1 | 150.9 | -62.8 | 154.9 | 0 | 0 | 0 | 110.5 | ||||
| 299 | P | 32.3 | Very low | 31.4 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | -156.3 | 160.6 | 84.8 | 40.7 | -20.9 | 0 | 0 | 0 | 118.6 | |||||
| 300 | G | 26.9 | Very low | 31.5 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | trans | 172.5 | 109.3 | 164 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 301 | S | 29.7 | Very low | 31.6 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | trans | -107.6 | 124.2 | 175.7 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 302 | R | 27.3 | Very low | 31.3 | Very low | 235 Ų | 235 | 123.3 Ų | 123.3 | 89% | 0.887 | 67% | 0.673 | S | S | * | * | trans | 174.7 | 136.2 | 161.1 | -89.4 | 138.5 | -158.9 | -120.9 | 2.5 | 106 | ||||
| 303 | Q | 24.1 | Very low | 31 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | 51.6 | 133.2 | 71.2 | -75.1 | -171.8 | -27.5 | 0 | 0 | 113.7 | |||||
| 304 | S | 23.4 | Very low | 30.5 | Very low | 86 Ų | 86 | 120.8 Ų | 120.8 | 60% | 0.601 | 68% | 0.675 | S | S | * | * | cis | -165.7 | 178.3 | -13.1 | 38.3 | 0 | 0 | 0 | 0 | 108.3 | Q631 | S304-Q631 VanDerWaalsContact CB-OE1 3.3Š| ||
| 305 | S | 27.1 | Very low | 31.3 | Very low | 46 Ų | 46 | 120.5 Ų | 120.5 | 32% | 0.322 | 68% | 0.68 | S | S | . | * | trans | -60.5 | 160 | -176.1 | -52.5 | 0 | 0 | 0 | 0 | 115.4 | Q630 Q631 | S305-Q630 PolarHBondContact OG-O 3.46Å; S305-Q631 WeakPolarHBondContact OG-CA 3.47Å; S305-Q631 WeakPolarHBondContact OG-CB 3.26Å; S305-Q631 PolarHBondContact OG-N 3.44Å | ||
| 306 | P | 34.1 | Very low | 31.1 | Very low | 128 Ų | 128 | 118 Ų | 118 | 83% | 0.831 | 68% | 0.681 | S | S | * | * | trans | -77.3 | 144 | 168.1 | 32.7 | -34.7 | 0 | 0 | 0 | 112.1 | ||||
| 307 | T | 33.4 | Very low | 30.7 | Very low | 60 Ų | 60 | 120.4 Ų | 120.4 | 37% | 0.368 | 69% | 0.688 | S | S | . | * | trans | -148.4 | 149.6 | 170.5 | -22.7 | 0 | 0 | 0 | 0 | 112.4 | Q632 A633 | T307-Q632 PolarHBondContact OG1-O 3.41Å; T307-A633 WeakPolarHBondContact CB-O 3.3Å; T307-A633 PolarHBondContact OG1-N 3.46Å; T307-A633 PolarHBondContact OG1-O 3.46Å | ||
| 308 | E | 34.3 | Very low | 31.3 | Very low | 162 Ų | 162 | 122.1 Ų | 122.1 | 76% | 0.757 | 70% | 0.697 | S | S | * | * | -144.3 | 147.6 | 122 | -74.9 | -157.1 | 129.7 | 0 | 0 | 106.6 | P634 P635 | E308-P634 WeakPolarHBondContact CA-O 3.47Å; E308-P635 VanDerWaalsContact OE1-CD 3.29Å; E308-P635 WeakPolarHBondContact OE1-CD 3.34Å | |||
| 309 | A | 34.8 | Very low | 30.9 | Very low | 46 Ų | 46 | 118.4 Ų | 118.4 | 38% | 0.38 | 69% | 0.694 | S | S | . | * | cis | -134.6 | -160.5 | -6.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P634 P635 | A309-P634 VanDerWaalsContact CA-C 3.42Å; A309-P634 VanDerWaalsContact CA-O 3.27Å; A309-P634 WeakPolarHBondContact CA-O 3.22Å; A309-P635 WeakPolarHBondContact CB-O 3.27Å | ||
| 310 | V | 34.8 | Very low | 30.9 | Very low | 97 Ų | 97 | 120 Ų | 120 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | cis | -142.3 | -179.8 | 19 | 164.4 | 0 | 0 | 0 | 0 | 109.7 | P636 | V310-P636 HydrophobicContact CG1-CG 4.1Š| ||
| 311 | E | 36 | Very low | 30.9 | Very low | 65 Ų | 65 | 124.8 Ų | 124.8 | 30% | 0.304 | 70% | 0.696 | S | S | . | * | trans | -93.7 | 170.1 | -178.1 | -81.6 | -171.4 | 141.1 | 0 | 0 | 115.2 | P634 P635 | E311-P634 HydrophobicContact CG-CB 4.08Å; E311-P635 HydrophobicContact CG-CB 3.7Å | ||
| 312 | R | 33.1 | Very low | 30.7 | Very low | 177 Ų | 177 | 127 Ų | 127 | 67% | 0.668 | 70% | 0.697 | S | S | * | * | cis | -150 | 165.1 | 8.3 | -135.8 | 163.4 | -151.3 | 170.1 | 23.4 | 114.5 | ||||
| 313 | M | 23.6 | Very low | 30.6 | Very low | 163 Ų | 163 | 124 Ų | 124 | 80% | 0.803 | 70% | 0.695 | S | S | * | * | trans | -21.4 | 158 | 160.6 | -55.6 | 154.3 | -156.6 | 0 | 0 | 118.1 | ||||
| 314 | G | 23 | Very low | 30.7 | Very low | 72 Ų | 72 | 119 Ų | 119 | 74% | 0.742 | 69% | 0.689 | S | S | * | * | cis | 176.5 | -171.6 | 5.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 315 | P | 43.2 | Very low | 30.9 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | -107.5 | 164.4 | -167.9 | 39.6 | -34.2 | 0 | 0 | 0 | 115.1 | ||||
| 316 | T | 23.9 | Very low | 30.9 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 91% | 0.908 | 71% | 0.714 | S | S | * | * | trans | -168.2 | 162.8 | 133.1 | 10.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 317 | Q | 30.6 | Very low | 30.6 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | trans | -89.5 | 174.5 | 173.7 | -71.7 | 176.6 | -31.3 | 0 | 0 | 112 | ||||
| 318 | T | 43.3 | Very low | 31.2 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 90% | 0.896 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -43.7 | 139.5 | 159.5 | 45.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 319 | G | 31 | Very low | 31 | Very low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | -119.9 | -165.3 | -158.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 320 | L | 31.2 | Very low | 30.7 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | 75.7 | 119.8 | -178.9 | -80.1 | 81.6 | 0 | 0 | 0 | 118.4 | ||||
| 321 | E | 26.7 | Very low | 30.4 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | 63.1 | 151 | 142.8 | -57.8 | 177.1 | 158.5 | 0 | 0 | 121.6 | ||||
| 322 | M | 25.8 | Very low | 29.9 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | -164.4 | 140.3 | -53.3 | -170.3 | -179.6 | 169.6 | 0 | 0 | 108.4 | |||||
| 323 | M | 26.1 | Very low | 29.6 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | 72.3 | 142.4 | 161 | -124.6 | 61.8 | 177.7 | 0 | 0 | 120.7 | ||||
| 324 | G | 25.5 | Very low | 29.7 | Very low | 68 Ų | 68 | 139.9 Ų | 139.9 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | 118.2 | 64.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 325 | Q | 26.6 | Very low | 29.6 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 80.5 | 110.7 | 95.8 | -77.2 | -143.6 | -11.2 | 0 | 0 | 119 | |||||
| 326 | H | 26.8 | Very low | 29.8 | Very low | 142 Ų | 142 | 143 Ų | 143 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | trans | 60.3 | 114.5 | 142.5 | -67.2 | -102.3 | 0 | 0 | 0 | 124.5 | ||||
| 327 | H | 28.9 | Very low | 30 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 68.7 | 163.3 | 131.5 | -74.2 | 70.6 | 0 | 0 | 0 | 120.4 | ||||
| 328 | P | 46.8 | Very low | 29.8 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | cis | -139.3 | 165 | -26.5 | 37 | -18.8 | 0 | 0 | 0 | 117.1 | ||||
| 329 | H | 30.2 | Very low | 29.1 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | 49.2 | 142.6 | 142.7 | -85.8 | -81.8 | 0 | 0 | 0 | 126.6 | ||||
| 330 | V | 27.8 | Very low | 28.7 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | 116.1 | 124 | 124.7 | 134.3 | 0 | 0 | 0 | 0 | 123 | |||||
| 331 | L | 28 | Very low | 28.7 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | trans | 63.2 | 160.7 | 156.4 | -65.9 | 172.7 | 0 | 0 | 0 | 120.6 | ||||
| 332 | Q | 26.2 | Very low | 29.4 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | cis | -149.8 | 144.6 | 14.4 | -163 | 138.3 | -10.1 | 0 | 0 | 117.3 | ||||
| 333 | Q | 27.1 | Very low | 29.5 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | trans | 23.4 | 130.3 | 152.2 | -70.4 | 164.8 | -25.3 | 0 | 0 | 127.5 | ||||
| 334 | Q | 25 | Very low | 29.4 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | 40.6 | 130.4 | 121 | -62.6 | 174.4 | -51.1 | 0 | 0 | 124.9 | |||||
| 335 | N | 21.9 | Very low | 29.4 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | 32.6 | 156.7 | 119 | -121.6 | 15.3 | 0 | 0 | 0 | 121.7 | |||||
| 336 | P | 47 | Very low | 29.4 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 69% | 0.688 | 73% | 0.732 | S | S | * | * | cis | -145.6 | -178.4 | 6.7 | 44.7 | -25.3 | 0 | 0 | 0 | 119.1 | ||||
| 337 | A | 27.3 | Very low | 29.4 | Very low | 87 Ų | 87 | 141.3 Ų | 141.3 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | trans | 92.4 | 138.9 | 138 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 338 | Q | 27.2 | Very low | 29.2 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | 84.7 | 116.4 | 141.7 | -83.5 | -177.8 | -4.9 | 0 | 0 | 126 | ||||
| 339 | N | 27.2 | Very low | 28.2 | Very low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | 68.2 | 123.7 | 128.2 | -82 | -21.9 | 0 | 0 | 0 | 126.3 | |||||
| 340 | K | 23.9 | Very low | 28 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | 53.3 | 114.6 | 127.2 | -68.3 | -170.7 | 172.8 | -169.4 | 0 | 123.8 | |||||
| 341 | V | 29.7 | Very low | 28 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | 20 | 125.6 | 105.6 | -173.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 342 | P | 43.3 | Very low | 28 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | -159.3 | 157.7 | 77.8 | 42.9 | -21.9 | 0 | 0 | 0 | 121.7 | |||||
| 343 | N | 26.3 | Very low | 28.1 | Very low | 132 Ų | 132 | 142 Ų | 142 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 38.2 | 161 | 136.3 | -99.7 | 30.6 | 0 | 0 | 0 | 128.4 | ||||
| 344 | E | 25.3 | Very low | 27.9 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 90.4 | 87.9 | 142.4 | -82.3 | 150.2 | -124.4 | 0 | 0 | 122.8 | ||||
| 345 | D | 25.1 | Very low | 27.9 | Very low | 127 Ų | 127 | 139 Ų | 139 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | 62.3 | 142.7 | 104 | -76 | -63.3 | 0 | 0 | 0 | 126 | |||||
| 346 | F | 26.9 | Very low | 28.1 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | trans | 72 | 149.1 | 146.5 | -87.2 | -132 | 0 | 0 | 0 | 119 | ||||
| 347 | Q | 26.4 | Very low | 27.1 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -161.7 | 177 | -7.4 | -148 | 179.7 | 4.5 | 0 | 0 | 111.6 | ||||
| 348 | S | 24.3 | Very low | 27.1 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | trans | 84.8 | 93.1 | 147.7 | -58.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 349 | Q | 26.5 | Very low | 27.1 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | 33.5 | 146.2 | 122.4 | -100.4 | 171.4 | -81.9 | 0 | 0 | 125.5 | |||||
| 350 | E | 25.9 | Very low | 27.1 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 84.3 | 118.1 | 141.8 | -82 | 171.7 | -167.8 | 0 | 0 | 122.9 | ||||
| 351 | A | 27.6 | Very low | 27.3 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -149.4 | 139.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 352 | Q | 28.4 | Very low | 27.1 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -129 | 143.8 | 174.3 | -95.2 | -160.3 | 8.6 | 0 | 0 | 112.2 | ||||
| 353 | N | 27.3 | Very low | 26.3 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | 62.5 | 109.1 | 145.2 | -165.2 | 17.6 | 0 | 0 | 0 | 119.9 | ||||
| 354 | M | 24.4 | Very low | 26.2 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | -158.8 | 151.1 | 127 | -106.7 | -72.4 | -84.9 | 0 | 0 | 108.2 | |||||
| 355 | G | 24.7 | Very low | 26.1 | Very low | 65 Ų | 65 | 135.1 Ų | 135.1 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | -157.6 | 170.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 356 | G | 26.4 | Very low | 26 | Very low | 79 Ų | 79 | 136 Ų | 136 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | 88.9 | 111.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 357 | M | 24.7 | Very low | 25.7 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | -153.4 | 158.5 | 121.8 | -148.7 | 62.4 | -162.1 | 0 | 0 | 109.9 | |||||
| 358 | E | 27.1 | Very low | 25.7 | Very low | 152 Ų | 152 | 137 Ų | 137 | 71% | 0.71 | 80% | 0.796 | S | S | * | * | trans | -88.4 | 157.9 | -166.6 | -54.9 | 159 | 94.1 | 0 | 0 | 114.3 | ||||
| 359 | Q | 27.1 | Very low | 25.6 | Very low | 193 Ų | 193 | 139.4 Ų | 139.4 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | 165.8 | 148.8 | 104.7 | -87 | -175.1 | 18 | 0 | 0 | 112.2 | |||||
| 360 | G | 27.9 | Very low | 25.6 | Very low | 73 Ų | 73 | 140.9 Ų | 140.9 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | 134.1 | 96.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 361 | A | 28.3 | Very low | 25.7 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 96% | 0.959 | 80% | 0.796 | S | S | * | * | trans | 61.2 | 158.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 362 | G | 25.1 | Very low | 25.8 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -163.6 | 156.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 363 | V | 27.1 | Very low | 25.7 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -158.7 | 175 | 171.1 | -103.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 364 | E | 23.1 | Very low | 25.4 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -72.4 | 145.1 | -163.7 | -64.7 | 149.2 | 102.1 | 0 | 0 | 117.2 | ||||
| 365 | S | 23 | Very low | 25.6 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 46.9 | 150.4 | 120.5 | -141.7 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 366 | L | 23.4 | Very low | 25.4 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | 69.4 | 160.3 | 165.4 | -53.7 | 171.9 | 0 | 0 | 0 | 117 | ||||
| 367 | Q | 20.3 | Very low | 25.4 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | cis | -158.8 | 167.9 | -38.5 | -179.3 | 159.1 | -44.3 | 0 | 0 | 108.7 | ||||
| 368 | F | 27 | Very low | 25.3 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | trans | -46.8 | 150.9 | 173.1 | -81.9 | -109.9 | 0 | 0 | 0 | 116.4 | ||||
| 369 | D | 22.9 | Very low | 25.3 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | 169.8 | 164.5 | 116.5 | -90.8 | -16.2 | 0 | 0 | 0 | 111.4 | |||||
| 370 | Y | 26.3 | Very low | 25.2 | Very low | 199 Ų | 199 | 129.6 Ų | 129.6 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | cis | -165.6 | -177.9 | -38.5 | -152.8 | -99.8 | 0 | 0 | 0 | 108 | ||||
| 371 | A | 28.2 | Very low | 25.1 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | 71 | 141.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 372 | G | 28.2 | Very low | 24.9 | Very low | 62 Ų | 62 | 131.1 Ų | 131.1 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | cis | 97.3 | 126.2 | -4.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 373 | N | 26.2 | Very low | 25.5 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | 179.3 | 157.6 | 168.3 | -93.5 | -15.5 | 0 | 0 | 0 | 108.2 | ||||
| 374 | Q | 22.7 | Very low | 25.5 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | cis | -162.1 | 156.1 | -25.6 | -114.7 | 177.8 | 49.3 | 0 | 0 | 105.3 | ||||
| 375 | I | 27 | Very low | 25.6 | Very low | 142 Ų | 142 | 128 Ų | 128 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | 166.5 | 122.4 | 102.1 | -82.6 | -177.2 | 0 | 0 | 0 | 103.6 | |||||
| 376 | Q | 22.2 | Very low | 25.8 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | 64.7 | 139.5 | 84.5 | -98.9 | -176.4 | 8 | 0 | 0 | 114.1 | |||||
| 377 | V | 26.4 | Very low | 26.1 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | cis | -151.3 | 163.9 | 1.5 | -145.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 378 | D | 22.5 | Very low | 26.5 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 68.1 | 114.3 | 143.6 | -93.5 | -49.9 | 0 | 0 | 0 | 126 | ||||
| 379 | S | 26.4 | Very low | 26.8 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | 63.3 | 128.3 | 119.4 | -67.3 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 380 | S | 24.7 | Very low | 27.3 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | trans | 79.8 | 107.3 | 154 | 73.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 381 | G | 26.7 | Very low | 27.3 | Very low | 83 Ų | 83 | 131 Ų | 131 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 156.5 | 100.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 382 | T | 24.1 | Very low | 27.4 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -74.6 | 153.6 | 159 | 47.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 383 | P | 37.2 | Very low | 27.6 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | cis | -148.5 | -177.4 | 31.7 | 46.3 | -27.5 | 0 | 0 | 0 | 117.8 | ||||
| 384 | V | 26.3 | Very low | 27.9 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | 54.1 | 115.8 | 161.8 | -165.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 385 | G | 25.1 | Very low | 28.2 | Very low | 64 Ų | 64 | 145.4 Ų | 145.4 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | trans | 171 | 127.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 386 | L | 29.1 | Very low | 28.3 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 94% | 0.942 | 82% | 0.824 | S | S | * | * | trans | 31.8 | 131.3 | 165.4 | -81.4 | 64.4 | 0 | 0 | 0 | 120.5 | ||||
| 387 | F | 29.1 | Very low | 28.9 | Very low | 220 Ų | 220 | 150.6 Ų | 150.6 | 97% | 0.965 | 83% | 0.833 | S | S | * | * | trans | -101.9 | 134.7 | 160.7 | -94 | -84.6 | 0 | 0 | 0 | 110.8 | ||||
| 388 | D | 28.3 | Very low | 28.9 | Very low | 145 Ų | 145 | 156.5 Ų | 156.5 | 78% | 0.775 | 84% | 0.843 | S | S | * | * | trans | -109.7 | 161.3 | -177.7 | -160.1 | -0.3 | 0 | 0 | 0 | 112.1 | S390 | D388-S390 PolarHBondContact O-N 3.02Š| ||
| 389 | Y | 32.4 | Very low | 29.2 | Very low | 232 Ų | 232 | 154.3 Ų | 154.3 | 91% | 0.91 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -106.3 | 61.5 | -152.1 | -141.3 | -84.3 | 0 | 0 | 0 | 114.3 | ||
| 390 | S | 33.8 | Very low | 29.4 | Very low | 108 Ų | 108 | 155.9 Ų | 155.9 | 76% | 0.755 | 84% | 0.839 | S | S | * | * | trans | -140 | 38.4 | -169.6 | 55.6 | 0 | 0 | 0 | 0 | 116.7 | D388 | D388-S390 PolarHBondContact O-N 3.02Š| ||
| 391 | S | 26.6 | Very low | 30 | Very low | 109 Ų | 109 | 155.8 Ų | 155.8 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | trans | -146.3 | 58.8 | -179 | 58.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 392 | Q | 30.9 | Very low | 30.4 | Very low | 197 Ų | 197 | 158.3 Ų | 158.3 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -156.4 | 74.4 | 155.3 | -130.2 | 169.6 | 77.5 | 0 | 0 | 115.6 | ||||
| 393 | Q | 32.8 | Very low | 31.4 | Very low | 192 Ų | 192 | 156.7 Ų | 156.7 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -126 | 160.8 | 151.7 | -70.6 | -166.1 | 8.4 | 0 | 0 | 109.3 | ||||
| 394 | Q | 30.9 | Very low | 31.6 | Very low | 192 Ų | 192 | 156.8 Ų | 156.8 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | 63.7 | 66.3 | -177 | -55.4 | -168 | 4.3 | 0 | 0 | 116.7 | ||||
| 395 | L | 30.2 | Very low | 32.4 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -145.5 | 34.9 | 152.8 | -129 | 171.8 | 0 | 0 | 0 | 115.1 | ||||
| 396 | F | 28.2 | Very low | 33.2 | Very low | 209 Ų | 209 | 162 Ų | 162 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -147.7 | 78 | 163.5 | -93.7 | -66.7 | 0 | 0 | 0 | 112.8 | ||||
| 397 | Q | 35.5 | Very low | 33.9 | Very low | 198 Ų | 198 | 159.9 Ų | 159.9 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -125.5 | 96.4 | 153.5 | -83.9 | -157.2 | 35.2 | 0 | 0 | 109.8 | ||||
| 398 | R | 25.9 | Very low | 34.8 | Very low | 238 Ų | 238 | 153.5 Ų | 153.5 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -165.3 | 106.4 | 151.2 | -116.2 | 178.4 | 179 | -169.6 | -1.5 | 113.1 | ||||
| 399 | S | 29.5 | Very low | 35.7 | Very low | 90 Ų | 90 | 149.1 Ų | 149.1 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | 31.6 | 118.2 | 139.4 | 59 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 400 | N | 29.6 | Very low | 36.3 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | -166.6 | 116.5 | 104.5 | -107.6 | -10.5 | 0 | 0 | 0 | 113.6 | L402 | N400-L402 PolarHBondContact O-N 2.77Š| |||
| 401 | P | 37.5 | Very low | 36.9 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 55.7 | -174.9 | 38.4 | -37 | 0 | 0 | 0 | 113.1 | ||
| 402 | L | 35.8 | Very low | 37.9 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.5 | -11.6 | -173.9 | -101.7 | 161.5 | 0 | 0 | 0 | 116 | N400 | N400-L402 PolarHBondContact O-N 2.77Š|
| 403 | T | 44.1 | Very low | 38.8 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 64% | 0.638 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -91.6 | -26.6 | -174.6 | 47.5 | 0 | 0 | 0 | 0 | 114.5 | L407 | T403-L407 PolarHBondContact O-N 2.82Š|
| 404 | V | 43.2 | Very low | 39.6 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -65.7 | -46.9 | -176 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | Q406 L407 T408 | V404-Q406 VanDerWaalsContact C-N 3.29Å; V404-Q406 PolarHBondContact O-N 3.46Å; V404-L407 PolarHBondContact O-N 2.97Å; V404-T408 PolarHBondContact O-N 3.09Å; V404-T408 PolarHBondContact O-OG1 3.38Å |
| 405 | Q | 42.2 | Very low | 40.1 | Very low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -68.7 | -28 | -176 | -162.1 | 164.3 | 31.4 | 0 | 0 | 112.9 | A409 | Q405-A409 PolarHBondContact O-N 3.32Å |
| 406 | Q | 42.3 | Very low | 40.6 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -75.8 | -29.2 | 177.1 | -154.9 | 170.5 | 30.7 | 0 | 0 | 112.3 | V404 A410 | V404-Q406 VanDerWaalsContact C-N 3.29Å; V404-Q406 PolarHBondContact O-N 3.46Å; Q406-A410 PolarHBondContact O-N 2.71Å |
| 407 | L | 43.8 | Very low | 41.5 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 71% | 0.707 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -72 | -40.4 | 175.8 | -137.2 | 77.2 | 0 | 0 | 0 | 112.1 | T403 V404 A409 A410 Q411 | T403-L407 PolarHBondContact O-N 2.82Å; V404-L407 PolarHBondContact O-N 2.97Å; L407-A409 VanDerWaalsContact C-N 3.34Å; L407-A409 PolarHBondContact O-N 3.26Å; L407-A410 PolarHBondContact O-N 3.04Å; L407-Q411 PolarHBondContact O-N 2.81Å; L407-Q411 VanDerWaalsContact O-N 3.17Å |
| 408 | T | 47.9 | Very low | 41.9 | Very low | 86 Ų | 86 | 128 Ų | 128 | 53% | 0.528 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -62.5 | -41.1 | 176.2 | -45.3 | 0 | 0 | 0 | 0 | 111.7 | V404 Q411 Q412 | V404-T408 PolarHBondContact O-N 3.09Å; V404-T408 PolarHBondContact O-OG1 3.38Å; T408-Q411 PolarHBondContact O-N 2.67Å; T408-Q412 PolarHBondContact O-N 3.45Å |
| 409 | A | 47 | Very low | 42.6 | Very low | 53 Ų | 53 | 120.9 Ų | 120.9 | 44% | 0.438 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -62.7 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q405 L407 Q412 Q413 | Q405-A409 PolarHBondContact O-N 3.32Å; L407-A409 VanDerWaalsContact C-N 3.34Å; L407-A409 PolarHBondContact O-N 3.26Å; A409-Q412 PolarHBondContact O-N 3.25Å; A409-Q413 PolarHBondContact O-N 3.06Å |
| 410 | A | 44.1 | Very low | 43.1 | Very low | 53 Ų | 53 | 120.3 Ų | 120.3 | 44% | 0.438 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -64.8 | -42.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q406 L407 Q412 Q413 | Q406-A410 PolarHBondContact O-N 2.71Å; L407-A410 PolarHBondContact O-N 3.04Å; A410-Q412 VanDerWaalsContact C-N 3.32Å; A410-Q412 PolarHBondContact O-N 3.19Å; A410-Q413 PolarHBondContact O-N 3.37Å |
| 411 | Q | 46.5 | Very low | 43.6 | Very low | 150 Ų | 150 | 123 Ų | 123 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68 | -32.5 | -179.5 | -163.8 | 168.4 | 30.4 | 0 | 0 | 112.4 | L407 T408 | L407-Q411 PolarHBondContact O-N 2.81Å; L407-Q411 VanDerWaalsContact O-N 3.17Å; T408-Q411 PolarHBondContact O-N 2.67Å |
| 412 | Q | 48.6 | Very low | 43.8 | Very low | 146 Ų | 146 | 126 Ų | 126 | 68% | 0.682 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71.9 | -32.5 | 178.4 | -146.9 | 169.4 | 24.9 | 0 | 0 | 112.5 | T408 A409 A410 Q414 Y415 A416 | T408-Q412 PolarHBondContact O-N 3.45Å; A409-Q412 PolarHBondContact O-N 3.25Å; A410-Q412 VanDerWaalsContact C-N 3.32Å; A410-Q412 PolarHBondContact O-N 3.19Å; Q412-Q414 VanDerWaalsContact C-N 3.34Å; Q412-Q414 PolarHBondContact O-N 2.88Å; Q412-Y415 PolarHBondContact O-N 2.83Å; Q412-A416 PolarHBondContact O-N 3.45Å |
| 413 | Q | 49.4 | Very low | 43.8 | Very low | 150 Ų | 150 | 128 Ų | 128 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -68.7 | -27.3 | 177 | -74.6 | -172 | -17.6 | 0 | 0 | 113.7 | A409 A410 A416 L417 | A409-Q413 PolarHBondContact O-N 3.06Å; A410-Q413 PolarHBondContact O-N 3.37Å; Q413-A416 PolarHBondContact O-N 3.34Å; Q413-L417 PolarHBondContact O-N 2.9Å |
| 414 | Q | 48.8 | Very low | 43.1 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -74.3 | -25.2 | 176.2 | -67.2 | -169.8 | -83.3 | 0 | 0 | 113.5 | Q412 | Q412-Q414 VanDerWaalsContact C-N 3.34Å; Q412-Q414 PolarHBondContact O-N 2.88Å |
| 415 | Y | 41.4 | Very low | 42.4 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 79% | 0.788 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -79.1 | -31.4 | 172.1 | -116.4 | -90.5 | 0 | 0 | 0 | 112.7 | Q412 | Q412-Y415 PolarHBondContact O-N 2.83Å |
| 416 | A | 42.5 | Very low | 41.7 | Very low | 65 Ų | 65 | 131.9 Ų | 131.9 | 54% | 0.537 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -66.4 | -37.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q412 Q413 A418 A419 | Q412-A416 PolarHBondContact O-N 3.45Å; Q413-A416 PolarHBondContact O-N 3.34Å; A416-A418 VanDerWaalsContact C-N 3.34Å; A416-A418 PolarHBondContact O-N 2.76Å; A416-A419 PolarHBondContact O-N 2.73Å |
| 417 | L | 46.8 | Very low | 40.9 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -70 | -29.3 | -177.1 | -148.7 | 79.5 | 0 | 0 | 0 | 113.2 | Q413 A419 A420 | Q413-L417 PolarHBondContact O-N 2.9Å; L417-A419 VanDerWaalsContact C-N 3.34Å; L417-A420 PolarHBondContact O-N 2.74Å |
| 418 | A | 42.7 | Very low | 40.2 | Very low | 85 Ų | 85 | 130.2 Ų | 130.2 | 70% | 0.702 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -72.5 | -24.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A416 | A416-A418 VanDerWaalsContact C-N 3.34Å; A416-A418 PolarHBondContact O-N 2.76Å |
| 419 | A | 40.8 | Very low | 39.2 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -12.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A416 L417 | A416-A419 PolarHBondContact O-N 2.73Å; L417-A419 VanDerWaalsContact C-N 3.34Å |
| 420 | A | 40.1 | Very low | 38.9 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 65% | 0.645 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -89.5 | -3.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L417 | L417-A420 PolarHBondContact O-N 2.74Š|
| 421 | Q | 40.9 | Very low | 38.1 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -108.4 | 29.4 | -174.7 | -149.6 | -176.8 | -2.6 | 0 | 0 | 114.7 | ||
| 422 | Q | 40 | Very low | 37 | Very low | 188 Ų | 188 | 138.4 Ų | 138.4 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -137.1 | 27.3 | 172.8 | -142 | 173.2 | 14.8 | 0 | 0 | 115.6 | ||
| 423 | Q | 35.9 | Very low | 36.1 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -131.3 | 86.1 | 164.3 | -75.2 | -162.5 | -16.7 | 0 | 0 | 111.8 | ||||
| 424 | H | 29.9 | Very low | 36.4 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -167.8 | 80.2 | 150 | -109.5 | -70.8 | 0 | 0 | 0 | 111.2 | ||||
| 425 | L | 27.8 | Very low | 35.2 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -179.9 | 112.5 | 131.1 | -118.3 | 68 | 0 | 0 | 0 | 109.3 | ||||
| 426 | A | 28 | Very low | 36 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -130.9 | 137.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 427 | G | 26 | Very low | 35.3 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -170.1 | 118.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 428 | L | 29.1 | Very low | 34.4 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 97% | 0.969 | 79% | 0.79 | S | S | * | * | trans | 77.3 | 134 | 165.7 | -48.1 | 179.3 | 0 | 0 | 0 | 117.9 | ||||
| 429 | A | 27.8 | Very low | 33.8 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -124.7 | 170.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 430 | P | 39.8 | Very low | 33.1 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | -137.7 | 160.8 | 80.4 | 18.3 | 5.8 | 0 | 0 | 0 | 112.9 | |||||
| 431 | A | 26.5 | Very low | 32.6 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | 81 | 113.5 | 44 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 432 | F | 25.1 | Very low | 31.9 | Very low | 212 Ų | 212 | 136.2 Ų | 136.2 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -169.2 | -174.3 | 143.6 | -121.4 | -87.4 | 0 | 0 | 0 | 112.9 | ||||
| 433 | V | 27.8 | Very low | 32.2 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -131.2 | 154.2 | -150.3 | 176.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 434 | P | 56.3 | Low | 32.5 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | -106.3 | 173.2 | -166.8 | 41 | -36.4 | 0 | 0 | 0 | 116.8 | ||||
| 435 | N | 24.2 | Very low | 32.6 | Very low | 153 Ų | 153 | 122.5 Ų | 122.5 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 177.3 | -171.8 | 136.3 | -128 | 0.4 | 0 | 0 | 0 | 114.4 | ||||
| 436 | P | 57.3 | Low | 32.6 | Very low | 78 Ų | 78 | 118.8 Ų | 118.8 | 51% | 0.506 | 75% | 0.751 | S | S | . | * | -138.3 | -155.4 | -127.3 | 46.2 | -23.2 | 0 | 0 | 0 | 119.8 | |||||
| 437 | Y | 28 | Very low | 32.8 | Very low | 206 Ų | 206 | 121 Ų | 121 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | 94.5 | 164.4 | 170.1 | -45.8 | -63.7 | 0 | 0 | 0 | 118.2 | ||||
| 438 | I | 29.2 | Very low | 33.2 | Very low | 143 Ų | 143 | 123.7 Ų | 123.7 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | cis | -156.8 | 151.4 | 5.5 | -144.1 | 163.7 | 0 | 0 | 0 | 116.6 | ||||
| 439 | I | 28.4 | Very low | 33.1 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | 18.4 | 141.5 | 148.9 | -62.5 | 170.8 | 0 | 0 | 0 | 126.1 | ||||
| 440 | N | 27.9 | Very low | 33.1 | Very low | 134 Ų | 134 | 127.2 Ų | 127.2 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | 64.4 | 179 | 158.6 | -71.2 | -9.5 | 0 | 0 | 0 | 119.7 | K145 | K145-N440 PolarHBondContact NZ-O 3.12Š| ||
| 441 | A | 28.8 | Very low | 32.4 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | cis | -136.1 | -162.6 | -3.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K145 | K145-A441 PolarHBondContact NZ-O 3.39Š| ||
| 442 | A | 26.1 | Very low | 32.6 | Very low | 89 Ų | 89 | 126.9 Ų | 126.9 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -156.5 | 173.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 443 | P | 46.1 | Very low | 32.6 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 60% | 0.597 | 75% | 0.747 | S | S | * | * | cis | -123.9 | -120.5 | -20.7 | 38.7 | -18.6 | 0 | 0 | 0 | 111.7 | W148 | W148-P443 HydrophobicContact CZ2-CB 3.55Å; W148-P443 HydrophobicContact CZ2-CG 4.08Å | ||
| 444 | P | 41.6 | Very low | 32.5 | Very low | 99 Ų | 99 | 122.6 Ų | 122.6 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | -123.6 | 177.5 | -62.3 | 40.1 | -25.1 | 0 | 0 | 0 | 116.2 | W148 | W148-P444 HydrophobicContact CH2-CB 4.41Å; W148-P444 HydrophobicContact CZ2-CB 3.95Å | |||
| 445 | G | 32.1 | Very low | 31.1 | Very low | 75 Ų | 75 | 121.9 Ų | 121.9 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | 104 | 112.4 | 135.1 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 446 | A | 29.4 | Very low | 31.2 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 62.9 | 127.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 447 | D | 31.7 | Very low | 29.7 | Very low | 153 Ų | 153 | 120.9 Ų | 120.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 43.8 | 140.1 | 136.9 | -72.4 | 27.8 | 0 | 0 | 0 | 122.8 | ||||
| 448 | P | 33.4 | Very low | 29.7 | Very low | 128 Ų | 128 | 115.1 Ų | 115.1 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | -152.1 | 177.8 | 60.8 | 42.6 | -22.4 | 0 | 0 | 0 | 119.2 | |||||
| 449 | Y | 27 | Very low | 29.6 | Very low | 217 Ų | 217 | 114.6 Ų | 114.6 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -80.2 | 160.9 | 167 | -105.4 | -99.7 | 0 | 0 | 0 | 113.5 | ||||
| 450 | T | 27.7 | Very low | 29.6 | Very low | 133 Ų | 133 | 116.5 Ų | 116.5 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | 150.8 | 149 | 121.9 | -58.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 451 | A | 26.4 | Very low | 29.5 | Very low | 90 Ų | 90 | 115 Ų | 115 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | 95.3 | 124.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 452 | A | 30.6 | Very low | 29.4 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | trans | 59.4 | 150 | 153.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 453 | G | 25 | Very low | 29.6 | Very low | 70 Ų | 70 | 116.4 Ų | 116.4 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | 148 | 137.9 | -11 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 454 | L | 25.6 | Very low | 28.8 | Very low | 177 Ų | 177 | 118.3 Ų | 118.3 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | trans | 70.6 | 102.7 | 166.1 | -71.3 | 163.5 | 0 | 0 | 0 | 120.7 | ||||
| 455 | A | 26.5 | Very low | 28.1 | Very low | 99 Ų | 99 | 120.1 Ų | 120.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | 38 | 122 | 124.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 456 | A | 27 | Very low | 28 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -152.2 | 170.1 | 140.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 457 | A | 25.8 | Very low | 28 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -118.3 | -176.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 458 | A | 27 | Very low | 27.9 | Very low | 85 Ų | 85 | 121.2 Ų | 121.2 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | 105.5 | 99 | 162.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 459 | T | 26.7 | Very low | 27.5 | Very low | 132 Ų | 132 | 124 Ų | 124 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | 68.8 | 150.4 | 123.3 | -26.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 460 | L | 28.3 | Very low | 27.5 | Very low | 172 Ų | 172 | 123.7 Ų | 123.7 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | 88.4 | 139.8 | 165.5 | -64.1 | 176 | 0 | 0 | 0 | 118.2 | ||||
| 461 | A | 27.3 | Very low | 27.4 | Very low | 104 Ų | 104 | 128 Ų | 128 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -107.5 | 147.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 462 | G | 27 | Very low | 27.4 | Very low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | -111.5 | 156.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 463 | P | 30.1 | Very low | 27.4 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 139.1 | -173.2 | 31.5 | -35.1 | 0 | 0 | 0 | 113.7 | ||
| 464 | T | 28 | Very low | 27.6 | Very low | 132 Ų | 132 | 130 Ų | 130 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 130.8 | 174.8 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 465 | V | 27.8 | Very low | 27.7 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 133.5 | 172.9 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 466 | V | 30.1 | Very low | 27.8 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -119.9 | 124.6 | 177.8 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 467 | P | 29.7 | Very low | 27.9 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | trans | -78.5 | 146.5 | 174.2 | 32 | -33.8 | 0 | 0 | 0 | 111.7 | ||||
| 468 | P | 28.1 | Very low | 28 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -77 | 152.1 | -174.4 | 31.4 | -35.9 | 0 | 0 | 0 | 113.6 | ||||
| 469 | Q | 27 | Very low | 28 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -123.6 | 144.5 | 169.7 | -76.3 | -69.7 | -17.5 | 0 | 0 | 109.2 | ||||
| 470 | Y | 25.3 | Very low | 28.1 | Very low | 211 Ų | 211 | 134.5 Ų | 134.5 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -133.4 | 118.4 | -172.9 | -141.4 | -91.4 | 0 | 0 | 0 | 112.2 | ||||
| 471 | Y | 27.1 | Very low | 28.1 | Very low | 222 Ų | 222 | 132.9 Ų | 132.9 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | trans | 30.8 | 129.9 | 161 | -91.2 | -90.3 | 0 | 0 | 0 | 122.6 | ||||
| 472 | G | 26.6 | Very low | 28 | Very low | 73 Ų | 73 | 136.2 Ų | 136.2 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 179.1 | 87.2 | 160 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 473 | V | 29.6 | Very low | 28 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -141.2 | 132.7 | 174.3 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 474 | P | 28.6 | Very low | 27.8 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -84.9 | 168.4 | 178.6 | 35.6 | -36.3 | 0 | 0 | 0 | 113 | ||||
| 475 | W | 28.7 | Very low | 27.8 | Very low | 207 Ų | 207 | 144.4 Ų | 144.4 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -137.7 | 136 | 179.6 | -92.1 | 110.8 | 0 | 0 | 0 | 112.8 | Y478 | W475-Y478 AromaticContact CH2-CE2 3.76Å; W475-Y478 HydrophobicContact CH2-CE2 3.76Å; W475-Y478 HydrophobicContact CZ3-CD2 4.09Å; W475-Y478 AromaticContact CZ3-CE2 3.43Å; W475-Y478 HydrophobicContact CZ3-CE2 3.43Å; W475-Y478 VanDerWaalsContact CZ3-CE2 3.43Å | ||
| 476 | G | 28.7 | Very low | 27.7 | Very low | 62 Ų | 62 | 146.8 Ų | 146.8 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | trans | 172.9 | 126.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 477 | V | 28.3 | Very low | 27.5 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | trans | 69.1 | 129.1 | 171.5 | -166.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 478 | Y | 28.7 | Very low | 27.3 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 65% | 0.651 | 79% | 0.791 | S | S | * | * | trans | -133.9 | 141.6 | 173.8 | -101.1 | -68.5 | 0 | 0 | 0 | 110.3 | W475 | W475-Y478 AromaticContact CH2-CE2 3.76Å; W475-Y478 HydrophobicContact CH2-CE2 3.76Å; W475-Y478 HydrophobicContact CZ3-CD2 4.09Å; W475-Y478 AromaticContact CZ3-CE2 3.43Å; W475-Y478 HydrophobicContact CZ3-CE2 3.43Å; W475-Y478 VanDerWaalsContact CZ3-CE2 3.43Å | ||
| 479 | P | 27.1 | Very low | 27.2 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -100.2 | 162.1 | 159.3 | 37.5 | -31.1 | 0 | 0 | 0 | 111.8 | ||||
| 480 | A | 28.1 | Very low | 27 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -136.5 | 116.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 481 | N | 27.9 | Very low | 27 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | 57.3 | 132.9 | 147.5 | -63.8 | -18.9 | 0 | 0 | 0 | 123.6 | ||||
| 482 | L | 25.4 | Very low | 26.9 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -138.4 | 144 | 154 | -178.3 | 69.3 | 0 | 0 | 0 | 107.9 | ||||
| 483 | F | 27 | Very low | 27.2 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -152.1 | 125 | -175.5 | -142.7 | -68.6 | 0 | 0 | 0 | 111.7 | ||||
| 484 | Q | 27 | Very low | 27.1 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -152.1 | 95.2 | 166.9 | -164.4 | 87.4 | 53.6 | 0 | 0 | 112.9 | ||||
| 485 | Q | 27.8 | Very low | 27.1 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -3.4 | 131.9 | 141.3 | 176.1 | -171.7 | 75.1 | 0 | 0 | 120 | ||||
| 486 | Q | 26.1 | Very low | 27.1 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | 172.2 | 158.3 | 137.3 | -97.9 | -177.9 | -2.3 | 0 | 0 | 109.1 | ||||
| 487 | A | 24.1 | Very low | 27.2 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | cis | -155.2 | 174.1 | -18.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 488 | A | 25.4 | Very low | 27.2 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | -114.8 | 148.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 489 | S | 26.5 | Very low | 27.1 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 173.4 | 155.4 | 162.4 | 49.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 490 | T | 24 | Very low | 27.1 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | cis | -161.3 | 170.7 | -17.6 | 23 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 491 | A | 25.3 | Very low | 27 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | cis | -156.9 | 165.3 | 20.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 492 | N | 25.1 | Very low | 27.1 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | trans | 49.6 | 114.8 | 138.4 | -60.8 | 5.4 | 0 | 0 | 0 | 120.2 | ||||
| 493 | H | 31 | Very low | 27.2 | Very low | 171 Ų | 171 | 129 Ų | 129 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | 77.7 | 147.4 | 80.4 | -59.9 | -38.8 | 0 | 0 | 0 | 113.6 | |||||
| 494 | S | 28.4 | Very low | 27.6 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | cis | -154.8 | 153.5 | 22 | -33.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 495 | A | 29.6 | Very low | 27.7 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | 66.6 | 164.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 496 | N | 28.6 | Very low | 28.4 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | cis | -162.3 | 146.8 | -10.1 | -132.9 | -7.4 | 0 | 0 | 0 | 110.1 | ||||
| 497 | Q | 30.3 | Very low | 28.6 | Very low | 136 Ų | 136 | 115.9 Ų | 115.9 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | 57.6 | 159.4 | 139.3 | -70.9 | 173.2 | 41.8 | 0 | 0 | 119.7 | ||||
| 498 | Q | 28.5 | Very low | 28.9 | Very low | 158 Ų | 158 | 120.3 Ų | 120.3 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | cis | -159.5 | 146.7 | 1.7 | -131.3 | 164.8 | 4.7 | 0 | 0 | 112 | ||||
| 499 | A | 26.8 | Very low | 29.7 | Very low | 89 Ų | 89 | 120.8 Ų | 120.8 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 60.7 | 171.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 500 | S | 26.7 | Very low | 29.8 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | cis | -147.8 | 153.3 | 9.5 | -45.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 501 | N | 26.5 | Very low | 30.1 | Very low | 139 Ų | 139 | 122.8 Ų | 122.8 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | 46.7 | 134.8 | 138.1 | -58.6 | -4.3 | 0 | 0 | 0 | 120.7 | ||||
| 502 | Q | 28.5 | Very low | 30.2 | Very low | 188 Ų | 188 | 126.7 Ų | 126.7 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | 64.1 | 126.2 | 52.2 | -63.1 | -167 | 11.7 | 0 | 0 | 116.1 | |||||
| 503 | G | 28 | Very low | 30.5 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -126.7 | 146.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 504 | P | 36.1 | Very low | 30.6 | Very low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | -137.5 | -177 | 60.8 | 40.2 | -24.9 | 0 | 0 | 0 | 114.4 | |||||
| 505 | G | 29.6 | Very low | 30.7 | Very low | 67 Ų | 67 | 125.6 Ų | 125.6 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | trans | -121.3 | -173 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 506 | P | 42.3 | Very low | 31 | Very low | 139 Ų | 139 | 127 Ų | 127 | 90% | 0.903 | 75% | 0.749 | S | S | * | * | cis | -124.1 | -176.4 | -0.4 | 41.9 | -28.5 | 0 | 0 | 0 | 113.3 | ||||
| 507 | G | 30 | Very low | 31.2 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 127.2 | 130.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 508 | Q | 30.4 | Very low | 31.4 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | trans | -100.5 | -176.9 | 168 | -53 | -178.1 | -11.6 | 0 | 0 | 109.9 | ||||
| 509 | P | 42.1 | Very low | 31.7 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | cis | -130.6 | -165.8 | -12.3 | 18.9 | 7.8 | 0 | 0 | 0 | 114.4 | ||||
| 510 | Q | 28.7 | Very low | 32.7 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -37.2 | 169.9 | 161.7 | -55.3 | 160.2 | -21.7 | 0 | 0 | 115.9 | ||||
| 511 | V | 29.1 | Very low | 32.9 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | cis | -161.2 | 160 | 31.9 | -140.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 512 | M | 27.7 | Very low | 33.2 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | 62.5 | 117.9 | 141 | -118.9 | 56.9 | 162 | 0 | 0 | 125.6 | ||||
| 513 | R | 32.9 | Very low | 34.1 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 73% | 0.725 | 75% | 0.753 | S | S | * | * | trans | 6.2 | 153.9 | 134.8 | -52.1 | -176.5 | 170.6 | -158.4 | 1 | 120.6 | G515 | R513-G515 PolarHBondContact NH1-O 2.99Å; R513-G515 VanDerWaalsContact NH1-O 3.16Å | ||
| 514 | T | 32.2 | Very low | 34.2 | Very low | 155 Ų | 155 | 129 Ų | 129 | 95% | 0.951 | 75% | 0.748 | S | S | * | * | -124.8 | 143.6 | 83.5 | 33.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 515 | G | 30.7 | Very low | 34 | Very low | 35 Ų | 35 | 132 Ų | 132 | 36% | 0.361 | 75% | 0.751 | S | S | . | * | cis | -174.4 | -44.1 | -1.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | R513 | R513-G515 PolarHBondContact NH1-O 2.99Å; R513-G515 VanDerWaalsContact NH1-O 3.16Å | ||
| 516 | T | 34.9 | Very low | 34 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -128.6 | 170 | -148.6 | 44.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 517 | N | 33.9 | Very low | 33.5 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | cis | -164.3 | 156 | -18.2 | -103 | -11.3 | 0 | 0 | 0 | 108.4 | ||||
| 518 | Q | 33.2 | Very low | 33.4 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | cis | -166.4 | 138.5 | -34.5 | -137.1 | -164.6 | 109.8 | 0 | 0 | 112.1 | ||||
| 519 | R | 34.6 | Very low | 33.3 | Very low | 212 Ų | 212 | 132.1 Ų | 132.1 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | trans | 66.2 | 159.8 | 147.8 | -97.6 | -168.2 | 175.9 | -119 | -5.3 | 120.6 | ||||
| 520 | P | 48.9 | Very low | 32.7 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | cis | -137.6 | 178.9 | -6.8 | 42.1 | -25.2 | 0 | 0 | 0 | 118.1 | ||||
| 521 | L | 31.1 | Very low | 32.7 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | trans | 98.1 | 158.8 | 156.4 | -64.7 | 174.4 | 0 | 0 | 0 | 121.5 | ||||
| 522 | T | 31.8 | Very low | 32.6 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -156.4 | -171.3 | -147.4 | 46.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 523 | P | 47.8 | Very low | 32.8 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | cis | -125.7 | -157.9 | -2.7 | 44.8 | -27.3 | 0 | 0 | 0 | 112.4 | ||||
| 524 | G | 30.6 | Very low | 32.7 | Very low | 60 Ų | 60 | 131.8 Ų | 131.8 | 62% | 0.619 | 73% | 0.73 | S | S | * | * | cis | 132.6 | 134.3 | -17.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 525 | Q | 32 | Very low | 32.4 | Very low | 193 Ų | 193 | 128.3 Ų | 128.3 | 90% | 0.902 | 72% | 0.717 | S | S | * | * | trans | 70.9 | 158.1 | 166.7 | -60 | 168.8 | -43.7 | 0 | 0 | 117.6 | ||||
| 526 | G | 29.7 | Very low | 32.2 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | cis | -172.2 | -167.9 | 0.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 527 | Q | 30.4 | Very low | 31.9 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | cis | -158.8 | -57 | -5.9 | -160.5 | 167.4 | -78.7 | 0 | 0 | 117.5 | ||||
| 528 | Q | 29.4 | Very low | 31.6 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | -158.2 | 169.2 | -159.1 | -92.3 | 167.3 | -58.8 | 0 | 0 | 111.6 | ||||
| 529 | S | 28.3 | Very low | 31.3 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | cis | -176.6 | 153.2 | -6.9 | 47.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 530 | Q | 29.6 | Very low | 31 | Very low | 181 Ų | 181 | 121.2 Ų | 121.2 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | 56.3 | 148.5 | 156.8 | -63 | 172.4 | -13.4 | 0 | 0 | 117.8 | ||||
| 531 | Q | 28.4 | Very low | 30.2 | Very low | 155 Ų | 155 | 124.2 Ų | 124.2 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | cis | -175.1 | 172.1 | 49.1 | -171.8 | 155.8 | -1.6 | 0 | 0 | 111.6 | ||||
| 532 | E | 27.8 | Very low | 31 | Very low | 153 Ų | 153 | 122.5 Ų | 122.5 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | -18.3 | 169.3 | 162.7 | -65.5 | 177.6 | 82.5 | 0 | 0 | 122.3 | ||||
| 533 | S | 31.3 | Very low | 30.7 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 58% | 0.58 | 76% | 0.76 | S | S | * | * | cis | -176.7 | 159.8 | -13.4 | -94 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 534 | L | 29.5 | Very low | 29.7 | Very low | 172 Ų | 172 | 123 Ų | 123 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | trans | 63.4 | 161.2 | 155.5 | -65.3 | 159.3 | 0 | 0 | 0 | 117.3 | ||||
| 535 | A | 27.4 | Very low | 29.5 | Very low | 83 Ų | 83 | 125.1 Ų | 125.1 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | cis | -155.5 | 161.7 | 7.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 536 | A | 26.9 | Very low | 29.2 | Very low | 101 Ų | 101 | 127 Ų | 127 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 59.3 | 165.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 537 | A | 27.9 | Very low | 29 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | cis | -169.6 | 165.4 | -38.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 538 | A | 26.9 | Very low | 28.7 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | 70.6 | 106.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 539 | A | 28.1 | Very low | 28.7 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | 86.1 | 143.7 | 108.1 | 0 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 540 | A | 28.2 | Very low | 29.4 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | 86.6 | 130.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 541 | N | 31.2 | Very low | 29.2 | Very low | 158 Ų | 158 | 121.5 Ų | 121.5 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -88.5 | 167.5 | 151.3 | -82.6 | -48.7 | 0 | 0 | 0 | 108.5 | ||||
| 542 | P | 47.4 | Very low | 29.4 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | cis | -152.5 | 179.6 | 34.2 | 44.3 | -22.9 | 0 | 0 | 0 | 119.6 | ||||
| 543 | A | 26.2 | Very low | 29.4 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | trans | 47 | 128.8 | 141.4 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 544 | L | 27.9 | Very low | 29.3 | Very low | 177 Ų | 177 | 129.3 Ų | 129.3 | 93% | 0.927 | 82% | 0.82 | S | S | * | * | trans | 61.3 | 113.7 | 138.2 | -75.9 | 164.9 | 0 | 0 | 0 | 122.7 | ||||
| 545 | A | 26.1 | Very low | 29.3 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | -154.7 | 179 | 150.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 546 | Y | 24.7 | Very low | 29.6 | Very low | 233 Ų | 233 | 129.3 Ų | 129.3 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | trans | -131.9 | 147.7 | -157.2 | -149.9 | -105.3 | 0 | 0 | 0 | 115 | ||||
| 547 | A | 25.3 | Very low | 30.1 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | 65.9 | 139.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 548 | G | 25.2 | Very low | 30.4 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 158 | 131 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 549 | M | 28.4 | Very low | 31 | Very low | 181 Ų | 181 | 127.8 Ų | 127.8 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | trans | -143.3 | 167.6 | 179.2 | -79.1 | -79.3 | -79.7 | 0 | 0 | 108.5 | ||||
| 550 | P | 42.9 | Very low | 32 | Very low | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -134.7 | 176.2 | -8.9 | 39.4 | -22.7 | 0 | 0 | 0 | 116 | ||||
| 551 | G | 26 | Very low | 33.3 | Very low | 69 Ų | 69 | 133.7 Ų | 133.7 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 102.5 | 143.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 552 | Y | 32.3 | Very low | 34.9 | Very low | 243 Ų | 243 | 128.7 Ų | 128.7 | 95% | 0.953 | 75% | 0.75 | S | S | * | * | -170.8 | 167.1 | 129.5 | -118.3 | -84.5 | 0 | 0 | 0 | 112.4 | |||||
| 553 | Q | 26.9 | Very low | 34.6 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -104.2 | 173.9 | -170.4 | -70.7 | -171.8 | -3.4 | 0 | 0 | 115.9 | ||||
| 554 | V | 30.9 | Very low | 35.7 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -117.6 | 137 | 165.1 | 174.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 555 | L | 29.6 | Very low | 37 | Very low | 173 Ų | 173 | 121.8 Ų | 121.8 | 91% | 0.906 | 71% | 0.708 | S | S | * | * | trans | -157.8 | 167.7 | 151.9 | -138.5 | 75.6 | 0 | 0 | 0 | 111.8 | ||||
| 556 | A | 32.3 | Very low | 37.8 | Very low | 82 Ų | 82 | 118.6 Ų | 118.6 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | trans | -118.7 | 166.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 557 | P | 37.7 | Very low | 38.9 | Very low | 129 Ų | 129 | 111.9 Ų | 111.9 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | trans | -86.1 | 149.7 | 168 | 34.9 | -32.9 | 0 | 0 | 0 | 111.8 | ||||
| 558 | A | 34.2 | Very low | 39.8 | Very low | 64 Ų | 64 | 111.1 Ų | 111.1 | 53% | 0.529 | 65% | 0.646 | S | S | . | * | trans | -131.9 | 161.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y560 | A558-Y560 HydrophobicContact CB-CE1 3.97Å; A558-Y560 HydrophobicContact CB-CE2 4.46Å; A558-Y560 WeakPolarHBondContact O-CE2 3.39Å | ||
| 559 | A | 40 | Very low | 40.9 | Very low | 63 Ų | 63 | 115.1 Ų | 115.1 | 52% | 0.521 | 65% | 0.646 | S | S | . | * | trans | -101.2 | 146 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | L567 | A559-L567 HydrophobicContact CB-CD2 4.32Š| ||
| 560 | Y | 48.4 | Very low | 41.2 | Very low | 170 Ų | 170 | 110 Ų | 110 | 67% | 0.667 | 64% | 0.64 | S | S | * | * | trans | -127.5 | 152.1 | -173.1 | -50.7 | -79.2 | 0 | 0 | 0 | 110.9 | A558 L567 | A558-Y560 HydrophobicContact CB-CE1 3.97Å; A558-Y560 HydrophobicContact CB-CE2 4.46Å; A558-Y560 WeakPolarHBondContact O-CE2 3.39Å; Y560-L567 WeakPolarHBondContact O-CD2 3.43Å | ||
| 561 | Y | 55.9 | Low | 41.1 | Very low | 156 Ų | 156 | 110.7 Ų | 110.7 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | B | Isolated β-bridge | trans | -75.6 | 141.9 | 165.5 | -76.9 | -103 | 0 | 0 | 0 | 109.6 | G565 L567 | Y561-G565 WeakPolarHBondContact CD1-O 3.36Å; Y561-G565 WeakPolarHBondContact CE1-O 3.48Å; Y561-L567 HydrophobicContact CD1-CB 3.87Å; Y561-L567 HydrophobicContact CD1-CG 4.24Å; Y561-L567 HydrophobicContact CD2-CB 4.39Å; Y561-L567 HydrophobicContact CD2-CD1 4.2Å; Y561-L567 HydrophobicContact CD2-CG 3.85Å; Y561-L567 HydrophobicContact CE1-CB 3.71Å; Y561-L567 HydrophobicContact CE1-CD1 4.47Å; Y561-L567 HydrophobicContact CE1-CG 4.17Å; Y561-L567 HydrophobicContact CE2-CB 4.23Å; Y561-L567 HydrophobicContact CE2-CD1 3.62Å; Y561-L567 HydrophobicContact CE2-CG 3.75Å; Y561-L567 HydrophobicContact CG-CB 4.22Å; Y561-L567 HydrophobicContact CG-CG 4.1Å |
| 562 | D | 65.6 | Low | 41.3 | Very low | 52 Ų | 52 | 111.4 Ų | 111.4 | 28% | 0.278 | 65% | 0.652 | S | S | . | * | trans | -78.8 | 163.4 | 161.6 | 80.8 | 28.4 | 0 | 0 | 0 | 110.3 | K250 T564 G565 A566 V568 | K250-D562 WeakPolarHBondContact CE-OD1 3.33Å; K250-D562 IonicContact NZ-OD1 2.86Å; K250-D562 PolarHBondContact NZ-OD1 3.07Å; K250-D562 IonicContact NZ-OD2 3.61Å; K250-D562 PolarHBondContact NZ-OD2 3.42Å; D562-T564 PolarHBondContact O-N 2.76Å; D562-T564 PolarHBondContact OD1-OG1 3.47Å; D562-G565 PolarHBondContact O-N 3.08Å; D562-A566 PolarHBondContact N-O 2.97Å; D562-V568 VanDerWaalsContact OD2-CG2 3.23Å; D562-V568 WeakPolarHBondContact OD2-CG2 3.39Å | ||
| 563 | Q | 40.2 | Very low | 41.3 | Very low | 128 Ų | 128 | 104.2 Ų | 104.2 | 60% | 0.598 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 38.5 | -142.8 | -163.6 | 166.7 | -76.4 | 0 | 0 | 113.3 | D252 | D252-Q563 VanDerWaalsContact OD1-CB 3.24Å; D252-Q563 WeakPolarHBondContact OD1-CB 3.32Å; D252-Q563 VanDerWaalsContact OD1-CD 3.25Å; D252-Q563 WeakPolarHBondContact OD1-CG 3.32Å; D252-Q563 PolarHBondContact OD1-NE2 3.45Å |
| 564 | T | 49.4 | Very low | 41.6 | Very low | 46 Ų | 46 | 107 Ų | 107 | 28% | 0.282 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -151.8 | -3.9 | -167.3 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | K250 D562 | K250-T564 HydrophobicContact CB-CG2 3.8Å; K250-T564 WeakPolarHBondContact CE-OG1 3.37Å; K250-T564 HydrophobicContact CG-CG2 4.15Å; D562-T564 PolarHBondContact O-N 2.76Å; D562-T564 PolarHBondContact OD1-OG1 3.47Å |
| 565 | G | 55.7 | Low | 41.5 | Very low | 61 Ų | 61 | 107 Ų | 107 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 103.9 | 2.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y561 D562 | Y561-G565 WeakPolarHBondContact CD1-O 3.36Å; Y561-G565 WeakPolarHBondContact CE1-O 3.48Å; D562-G565 PolarHBondContact O-N 3.08Å |
| 566 | A | 42.1 | Very low | 41.5 | Very low | 38 Ų | 38 | 101.7 Ų | 101.7 | 31% | 0.314 | 63% | 0.633 | S | S | . | * | trans | -100.4 | 131.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D562 V568 | D562-A566 PolarHBondContact N-O 2.97Å; A566-V568 HydrophobicContact CB-CG2 4.45Å; A566-V568 PolarHBondContact O-N 3.36Å | ||
| 567 | L | 48.1 | Very low | 41.5 | Very low | 92 Ų | 92 | 106.5 Ų | 106.5 | 48% | 0.482 | 65% | 0.646 | S | S | . | * | B | Isolated β-bridge | trans | -83.8 | 111.7 | 175.5 | -144.6 | 177.5 | 0 | 0 | 0 | 109.4 | A559 Y560 Y561 | A559-L567 HydrophobicContact CB-CD2 4.32Å; Y560-L567 WeakPolarHBondContact O-CD2 3.43Å; Y561-L567 HydrophobicContact CD1-CB 3.87Å; Y561-L567 HydrophobicContact CD1-CG 4.24Å; Y561-L567 HydrophobicContact CD2-CB 4.39Å; Y561-L567 HydrophobicContact CD2-CD1 4.2Å; Y561-L567 HydrophobicContact CD2-CG 3.85Å; Y561-L567 HydrophobicContact CE1-CB 3.71Å; Y561-L567 HydrophobicContact CE1-CD1 4.47Å; Y561-L567 HydrophobicContact CE1-CG 4.17Å; Y561-L567 HydrophobicContact CE2-CB 4.23Å; Y561-L567 HydrophobicContact CE2-CD1 3.62Å; Y561-L567 HydrophobicContact CE2-CG 3.75Å; Y561-L567 HydrophobicContact CG-CB 4.22Å; Y561-L567 HydrophobicContact CG-CG 4.1Å |
| 568 | V | 43.2 | Very low | 41.1 | Very low | 84 Ų | 84 | 104.3 Ų | 104.3 | 51% | 0.509 | 65% | 0.647 | S | S | . | * | trans | -116.7 | 122.4 | -175.6 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | D562 A566 | D562-V568 VanDerWaalsContact OD2-CG2 3.23Å; D562-V568 WeakPolarHBondContact OD2-CG2 3.39Å; A566-V568 HydrophobicContact CB-CG2 4.45Å; A566-V568 PolarHBondContact O-N 3.36Å | ||
| 569 | M | 49.1 | Very low | 41 | Very low | 161 Ų | 161 | 104.8 Ų | 104.8 | 79% | 0.793 | 66% | 0.658 | S | S | * | * | trans | -113.1 | 108.5 | 177.2 | -155.6 | 175 | -162.2 | 0 | 0 | 109.4 | ||||
| 570 | G | 33.8 | Very low | 41.1 | Very low | 74 Ų | 74 | 107.9 Ų | 107.9 | 76% | 0.763 | 67% | 0.673 | S | S | * | * | trans | -76.1 | 127.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 571 | P | 40.9 | Very low | 40.2 | Very low | 126 Ų | 126 | 106.1 Ų | 106.1 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -114.4 | 132.2 | -173.5 | 37.8 | -29.6 | 0 | 0 | 0 | 116.9 | ||||
| 572 | G | 31.9 | Very low | 38.9 | Very low | 84 Ų | 84 | 109.4 Ų | 109.4 | 87% | 0.866 | 69% | 0.691 | S | S | * | * | 87.7 | 146.2 | 125.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 573 | A | 31.7 | Very low | 37 | Very low | 92 Ų | 92 | 113.5 Ų | 113.5 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | trans | -169.1 | 150 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 574 | R | 32.2 | Very low | 36.3 | Very low | 236 Ų | 236 | 113.2 Ų | 113.2 | 89% | 0.891 | 72% | 0.719 | S | S | * | * | cis | -168.5 | 161.7 | -12.4 | -104.7 | 177.5 | -169.3 | -170.3 | 2.6 | 106.7 | ||||
| 575 | T | 30.4 | Very low | 35 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | cis | -121.9 | -117.5 | 3.4 | -44.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 576 | G | 29.4 | Very low | 33.4 | Very low | 61 Ų | 61 | 121.5 Ų | 121.5 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | cis | 115.5 | 134.5 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 577 | L | 30.7 | Very low | 33 | Very low | 184 Ų | 184 | 124.9 Ų | 124.9 | 96% | 0.963 | 77% | 0.765 | S | S | * | * | cis | -141.3 | 152.2 | 1.5 | -76.8 | 167.3 | 0 | 0 | 0 | 111.8 | ||||
| 578 | G | 29.1 | Very low | 32 | Very low | 82 Ų | 82 | 127.9 Ų | 127.9 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 114.2 | 98.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 579 | G | 32.1 | Very low | 31.2 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | -104.7 | -156.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 580 | P | 42.7 | Very low | 30.1 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | cis | -109.7 | -169.7 | 3.8 | 28.5 | -5.8 | 0 | 0 | 0 | 111 | ||||
| 581 | V | 28.9 | Very low | 29.9 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | cis | -151.2 | 155 | 43.6 | 176.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 582 | R | 29.5 | Very low | 30 | Very low | 225 Ų | 225 | 134.3 Ų | 134.3 | 85% | 0.849 | 80% | 0.795 | S | S | * | * | trans | -66.3 | 172 | 175.7 | -79.8 | -176.9 | 173.3 | 177.7 | -3.1 | 114.1 | ||||
| 583 | L | 26 | Very low | 29.8 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | cis | 178.3 | 132.3 | -26.8 | -177 | 139.4 | 0 | 0 | 0 | 106.1 | ||||
| 584 | V | 24.3 | Very low | 29.8 | Very low | 122 Ų | 122 | 135 Ų | 135 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | 29.4 | 128.5 | 161.5 | -174.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 585 | Q | 23.3 | Very low | 29.8 | Very low | 164 Ų | 164 | 128 Ų | 128 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | 178.5 | 133.7 | 121.2 | -100.1 | -169.8 | -9.8 | 0 | 0 | 116.6 | |||||
| 586 | T | 22.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | 69.1 | -178.5 | 142.8 | 69.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 587 | P | 32.9 | Very low | 29.9 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | -138.7 | -150.4 | -92.3 | 44.5 | -23.8 | 0 | 0 | 0 | 113 | |||||
| 588 | L | 26.9 | Very low | 29.9 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -31.1 | 136 | 157 | -68 | 161 | 0 | 0 | 0 | 114.4 | ||||
| 589 | L | 27.4 | Very low | 29.8 | Very low | 171 Ų | 171 | 128.5 Ų | 128.5 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -149.5 | 141.7 | 143 | -141 | 79.8 | 0 | 0 | 0 | 111.9 | ||||
| 590 | I | 25.1 | Very low | 29.5 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -106.8 | -179.3 | 168.3 | -72.8 | 171.3 | 0 | 0 | 0 | 107.2 | ||||
| 591 | N | 28.9 | Very low | 29 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 82.2 | 165.2 | 165.4 | -111.1 | 4.1 | 0 | 0 | 0 | 115.1 | ||||
| 592 | P | 44.3 | Very low | 29 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | cis | -135.4 | 148.9 | 15.5 | 39.9 | -22.1 | 0 | 0 | 0 | 119.2 | ||||
| 593 | A | 27 | Very low | 29 | Very low | 90 Ų | 90 | 122.8 Ų | 122.8 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -175.8 | 133.9 | 136.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 594 | A | 31.2 | Very low | 29.1 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | cis | -150.4 | 173.2 | -5.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 595 | A | 32.2 | Very low | 29.3 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | -151.5 | 167.1 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 596 | Q | 31.6 | Very low | 29.7 | Very low | 189 Ų | 189 | 115.7 Ų | 115.7 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -23.8 | 157.2 | 148 | -74.7 | 157.5 | -20.3 | 0 | 0 | 117.6 | ||||
| 597 | A | 31.8 | Very low | 30.4 | Very low | 89 Ų | 89 | 117.6 Ų | 117.6 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | -167.8 | 170.9 | -2.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 598 | A | 29 | Very low | 30.5 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 69.4 | 148.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 599 | A | 27.4 | Very low | 31.2 | Very low | 94 Ų | 94 | 119.7 Ų | 119.7 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | cis | -162.9 | 161.3 | -23.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 600 | V | 27.2 | Very low | 31.8 | Very low | 131 Ų | 131 | 116.9 Ų | 116.9 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -69.4 | 165.7 | 154.1 | -71.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 601 | S | 30.7 | Very low | 32.1 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -166.7 | -175.6 | 32.7 | -30.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 602 | A | 29.9 | Very low | 33.8 | Very low | 87 Ų | 87 | 112.7 Ų | 112.7 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | 73.2 | 121.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 603 | S | 28.7 | Very low | 34.7 | Very low | 119 Ų | 119 | 112.8 Ų | 112.8 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | cis | 78.2 | 125.6 | 40.1 | 82.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 604 | G | 27.7 | Very low | 35.2 | Very low | 72 Ų | 72 | 113 Ų | 113 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | cis | 171.1 | -160.7 | -0.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 605 | S | 29 | Very low | 35.6 | Very low | 138 Ų | 138 | 116.2 Ų | 116.2 | 97% | 0.965 | 79% | 0.794 | S | S | * | * | trans | 83.8 | 143.4 | 176.1 | -159.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 606 | G | 31.3 | Very low | 35.8 | Very low | 63 Ų | 63 | 115.5 Ų | 115.5 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | 118.4 | 61.9 | 134.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 607 | N | 38.8 | Very low | 36.1 | Very low | 157 Ų | 157 | 114 Ų | 114 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | 70.3 | 148.4 | 145 | -75.8 | 7.9 | 0 | 0 | 0 | 125 | ||||
| 608 | N | 35.2 | Very low | 36.2 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 82.7 | 109.1 | 152.8 | -70.5 | 7.5 | 0 | 0 | 0 | 123 | ||||
| 609 | M | 41.4 | Very low | 36.3 | Very low | 171 Ų | 171 | 126.4 Ų | 126.4 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | 36 | 136.7 | 130.2 | -112.3 | 77.4 | 91.6 | 0 | 0 | 120.7 | ||||
| 610 | S | 39.1 | Very low | 36.5 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | cis | -164.2 | 160.7 | 17.9 | -33.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 611 | G | 31.6 | Very low | 36.6 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 112.2 | 132.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 612 | P | 64.1 | Low | 37.5 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -119.3 | -163 | 174.2 | 46 | -35.2 | 0 | 0 | 0 | 112.6 | ||||
| 613 | P | 63.1 | Low | 37.7 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | cis | -139.9 | -179 | -3.3 | 42.4 | -23.6 | 0 | 0 | 0 | 118.1 | ||||
| 614 | A | 39.3 | Very low | 38.7 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | 140.2 | 111.1 | 126.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 615 | N | 38.5 | Very low | 38.6 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | 38.8 | 127.1 | 138.4 | -68.2 | 3.4 | 0 | 0 | 0 | 129.8 | ||||
| 616 | G | 36.8 | Very low | 39.7 | Very low | 73 Ų | 73 | 138.6 Ų | 138.6 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | 55.1 | 173.1 | 118.5 | 0 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 617 | L | 37.8 | Very low | 40.1 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | cis | -172.4 | 147.9 | -20.4 | -97.5 | -176.7 | 0 | 0 | 0 | 114.2 | ||||
| 618 | Y | 33.8 | Very low | 40.5 | Very low | 213 Ų | 213 | 142.2 Ų | 142.2 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 65.2 | 138.9 | 147.1 | -84 | -58.4 | 0 | 0 | 0 | 130.3 | ||||
| 619 | R | 31.5 | Very low | 40.5 | Very low | 238 Ų | 238 | 143.1 Ų | 143.1 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | 84.4 | 175.2 | 142.9 | -115.3 | 174.7 | 179.8 | 164.3 | 0.5 | 124.3 | ||||
| 620 | S | 31.4 | Very low | 40.2 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -163 | 168.6 | -141.8 | 47.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 621 | M | 28.3 | Very low | 40 | Very low | 179 Ų | 179 | 142 Ų | 142 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | 75.1 | 158.9 | 169.7 | -79.2 | -70.2 | -163.8 | 0 | 0 | 119.5 | ||||
| 622 | P | 49.8 | Very low | 40 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | cis | -133 | -159.4 | -11.8 | 39.1 | -17.5 | 0 | 0 | 0 | 116.3 | ||||
| 623 | Q | 33.8 | Very low | 38.3 | Very low | 186 Ų | 186 | 142.5 Ų | 142.5 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -70.7 | 178.5 | 177.9 | -79.9 | -179.4 | -44.8 | 0 | 0 | 116.2 | ||||
| 624 | P | 49.9 | Very low | 37.3 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | cis | -137.9 | -174.1 | 2.2 | 39.8 | -19.6 | 0 | 0 | 0 | 118.4 | ||||
| 625 | Q | 26.7 | Very low | 37.5 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 87% | 0.869 | 73% | 0.726 | S | S | * | * | trans | 83.9 | -178.1 | 155.2 | -116.4 | -179.2 | -4.7 | 0 | 0 | 119.6 | ||||
| 626 | P | 51.6 | Low | 38.4 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | -116.9 | 173.8 | -126 | 43 | -29.4 | 0 | 0 | 0 | 120.4 | |||||
| 627 | Q | 39.6 | Very low | 38.3 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | trans | 6.7 | 144.1 | 166.2 | -85 | -169.9 | -7.4 | 0 | 0 | 122.3 | ||||
| 628 | P | 47.8 | Very low | 38.3 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 71% | 0.707 | S | S | * | * | -163.1 | 179.8 | 72.8 | 43.9 | -21.9 | 0 | 0 | 0 | 121.8 | |||||
| 629 | Q | 33.9 | Very low | 38.4 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | 71.8 | 125 | 143.1 | -96.2 | 178.1 | -71.4 | 0 | 0 | 129.3 | ||||
| 630 | Q | 36.4 | Very low | 38.5 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | trans | 53.8 | 162.6 | 133.6 | -73.2 | 169.7 | -15.4 | 0 | 0 | 123 | S305 | S305-Q630 PolarHBondContact OG-O 3.46Š| ||
| 631 | Q | 35.2 | Very low | 38.5 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 54% | 0.537 | 71% | 0.708 | S | S | . | * | cis | -152.4 | -149.5 | 24.5 | -144.4 | 164.3 | 25.5 | 0 | 0 | 115.2 | S304 S305 | S304-Q631 VanDerWaalsContact CB-OE1 3.3Å; S305-Q631 WeakPolarHBondContact OG-CA 3.47Å; S305-Q631 WeakPolarHBondContact OG-CB 3.26Å; S305-Q631 PolarHBondContact OG-N 3.44Å | ||
| 632 | Q | 29.8 | Very low | 38.5 | Very low | 168 Ų | 168 | 121.7 Ų | 121.7 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -160.2 | 158.3 | -148 | -163.1 | 179.9 | 17.7 | 0 | 0 | 120.7 | T307 | T307-Q632 PolarHBondContact OG1-O 3.41Š| ||
| 633 | A | 29.2 | Very low | 37.7 | Very low | 45 Ų | 45 | 121.2 Ų | 121.2 | 37% | 0.372 | 70% | 0.702 | S | S | . | * | trans | 65 | 165.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | T307 | T307-A633 WeakPolarHBondContact CB-O 3.3Å; T307-A633 PolarHBondContact OG1-N 3.46Å; T307-A633 PolarHBondContact OG1-O 3.46Å | ||
| 634 | P | 43 | Very low | 37.4 | Very low | 61 Ų | 61 | 117.9 Ų | 117.9 | 40% | 0.396 | 70% | 0.699 | S | S | . | * | cis | -122.2 | -146.9 | -23.4 | 43.9 | -25.7 | 0 | 0 | 0 | 111.6 | E308 A309 E311 | E308-P634 WeakPolarHBondContact CA-O 3.47Å; A309-P634 VanDerWaalsContact CA-C 3.42Å; A309-P634 VanDerWaalsContact CA-O 3.27Å; A309-P634 WeakPolarHBondContact CA-O 3.22Å; E311-P634 HydrophobicContact CG-CB 4.08Å | ||
| 635 | P | 43.3 | Very low | 36.5 | Very low | 52 Ų | 52 | 121.6 Ų | 121.6 | 34% | 0.338 | 70% | 0.704 | S | S | . | * | cis | -140.2 | -172.3 | -16.6 | 43.6 | -22.3 | 0 | 0 | 0 | 118.3 | E308 A309 E311 | E308-P635 VanDerWaalsContact OE1-CD 3.29Å; E308-P635 WeakPolarHBondContact OE1-CD 3.34Å; A309-P635 WeakPolarHBondContact CB-O 3.27Å; E311-P635 HydrophobicContact CG-CB 3.7Å | ||
| 636 | P | 56.8 | Low | 36.8 | Very low | 70 Ų | 70 | 123 Ų | 123 | 46% | 0.455 | 70% | 0.703 | S | S | . | * | trans | -151.9 | 175.4 | 165 | 43.7 | -27.1 | 0 | 0 | 0 | 119.3 | V310 | V310-P636 HydrophobicContact CG1-CG 4.1Š| ||
| 637 | S | 34.1 | Very low | 35.8 | Very low | 108 Ų | 108 | 121.4 Ų | 121.4 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | trans | 159.7 | 167.1 | 142.2 | 52.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 638 | S | 37.7 | Very low | 35.3 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 89% | 0.888 | 71% | 0.708 | S | S | * | * | trans | 79.3 | 150.9 | 170.2 | 76.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 639 | G | 36.6 | Very low | 34.5 | Very low | 69 Ų | 69 | 116.6 Ų | 116.6 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | cis | 169.2 | 150.4 | -15.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 640 | L | 33.7 | Very low | 34.3 | Very low | 177 Ų | 177 | 114.7 Ų | 114.7 | 93% | 0.927 | 71% | 0.712 | S | S | * | * | trans | 70.2 | 161.3 | 167.7 | -52.9 | 177 | 0 | 0 | 0 | 117.9 | ||||
| 641 | T | 31.1 | Very low | 34.4 | Very low | 134 Ų | 134 | 114.6 Ų | 114.6 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | cis | -130.3 | -134.8 | 19.7 | 63.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 642 | S | 29.2 | Very low | 35 | Very low | 111 Ų | 111 | 114.8 Ų | 114.8 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -170.9 | 163.9 | -168.3 | -83.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 643 | S | 31.2 | Very low | 35 | Very low | 110 Ų | 110 | 114.1 Ų | 114.1 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | 85 | 121.1 | 148.1 | 70.3 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 644 | S | 29.3 | Very low | 34.9 | Very low | 116 Ų | 116 | 118 Ų | 118 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | 94.5 | 139 | 130.2 | -68 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 645 | F | 30.5 | Very low | 34.4 | Very low | 192 Ų | 192 | 120 Ų | 120 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | 99.4 | 159.9 | 148.7 | -115.9 | -107.1 | 0 | 0 | 0 | 123 | ||||
| 646 | Y | 32.8 | Very low | 33.9 | Very low | 216 Ų | 216 | 125.5 Ų | 125.5 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -65.7 | 144.4 | -160.3 | -86.8 | -106.8 | 0 | 0 | 0 | 117 | ||||
| 647 | G | 29.7 | Very low | 32.9 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 176 | 157.7 | 165 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 648 | S | 29.6 | Very low | 33 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -126.1 | 132.6 | -177.9 | -176 | 0 | 0 | 0 | 0 | 113 | ||||
| 649 | G | 30.8 | Very low | 33.1 | Very low | 66 Ų | 66 | 125.9 Ų | 125.9 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | 84.2 | 138.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 650 | S | 30.1 | Very low | 33.2 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | cis | -151.8 | 163.2 | 1.8 | -69.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 651 | V | 39.3 | Very low | 33.1 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -38.6 | 141.8 | -178.9 | -67.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 652 | P | 47.9 | Very low | 33.4 | Very low | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | -153.9 | 168.9 | 96.2 | 42.1 | -25.7 | 0 | 0 | 0 | 118.3 | |||||
| 653 | N | 27.9 | Very low | 33.7 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 72.5 | 161.3 | 149 | -147.8 | 10.9 | 0 | 0 | 0 | 120.6 | ||||
| 654 | T | 27.8 | Very low | 33.6 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -150.5 | 120.3 | 178.9 | -58.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 655 | S | 33.3 | Very low | 33.7 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -169.7 | 130.6 | 161.8 | -86.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 656 | Q | 33 | Very low | 33.5 | Very low | 166 Ų | 166 | 124.6 Ų | 124.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 67.6 | 111.1 | 149.1 | -57.9 | -70.6 | -4.5 | 0 | 0 | 121.8 | ||||
| 657 | S | 34.7 | Very low | 33.4 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | 62.9 | 146 | 123.8 | -57.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 658 | S | 36.4 | Very low | 34.1 | Very low | 101 Ų | 101 | 121 Ų | 121 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -172.1 | 162.6 | 1.6 | 49.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 659 | S | 40 | Very low | 35 | Very low | 108 Ų | 108 | 120 Ų | 120 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | 71.2 | 159.7 | 156.7 | -61.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 660 | L | 38.4 | Very low | 34.8 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | cis | -153 | -154.1 | -14.9 | -111.9 | 169.4 | 0 | 0 | 0 | 107.9 | ||||
| 661 | F | 32.3 | Very low | 34.8 | Very low | 170 Ų | 170 | 121.9 Ų | 121.9 | 75% | 0.746 | 77% | 0.765 | S | S | * | * | cis | -152.4 | -135.5 | 12.4 | -131.3 | -54.6 | 0 | 0 | 0 | 112.3 | ||||
| 662 | S | 37.8 | Very low | 34.7 | Very low | 94 Ų | 94 | 120.1 Ų | 120.1 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -160.7 | -178.6 | -179.7 | -74.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 663 | H | 35.1 | Very low | 34 | Very low | 157 Ų | 157 | 122.7 Ų | 122.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -144.1 | -171.3 | 14.5 | -48.2 | -104.8 | 0 | 0 | 0 | 111.1 | ||||
| 664 | T | 28.4 | Very low | 34.2 | Very low | 131 Ų | 131 | 118.7 Ų | 118.7 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | 176.4 | 150.9 | 85.4 | 36.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 665 | S | 31.9 | Very low | 34.4 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 15.6 | 130.1 | 155.7 | 58.4 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 666 | G | 27.2 | Very low | 34 | Very low | 74 Ų | 74 | 121.2 Ų | 121.2 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | 118 | 91.9 | 100.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 667 | A | 28.8 | Very low | 33.8 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | 51.2 | 168.8 | 139.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 668 | P | 45.9 | Very low | 33.7 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | cis | -126.3 | -148.6 | -43.7 | 38.5 | -19.7 | 0 | 0 | 0 | 110.1 | ||||
| 669 | P | 47.8 | Very low | 33.6 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | -122.8 | 175.2 | -51.8 | 33.6 | -16.7 | 0 | 0 | 0 | 115.3 | |||||
| 670 | S | 26.8 | Very low | 32.9 | Very low | 106 Ų | 106 | 116.8 Ų | 116.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | 82.1 | 153.2 | 143.7 | 81.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 671 | S | 29.1 | Very low | 32.7 | Very low | 119 Ų | 119 | 115.6 Ų | 115.6 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 83.5 | 155.4 | 156.3 | -50.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 672 | S | 38.6 | Very low | 32.6 | Very low | 105 Ų | 105 | 115.6 Ų | 115.6 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -124.3 | -159.7 | -172.9 | 60 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 673 | L | 33.1 | Very low | 32.2 | Very low | 173 Ų | 173 | 114 Ų | 114 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | 79.5 | 153.8 | -174 | -45.6 | 171.6 | 0 | 0 | 0 | 114.5 | ||||
| 674 | G | 32.1 | Very low | 32 | Very low | 69 Ų | 69 | 114 Ų | 114 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | 135.5 | 95.5 | -11.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 675 | F | 31.7 | Very low | 32.1 | Very low | 207 Ų | 207 | 110.6 Ų | 110.6 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | trans | -171.9 | 165.4 | 176 | -128.5 | -141.9 | 0 | 0 | 0 | 110.2 | ||||
| 676 | S | 25 | Very low | 32.1 | Very low | 78 Ų | 78 | 114.2 Ų | 114.2 | 55% | 0.545 | 78% | 0.782 | S | S | . | * | cis | -161.1 | 145.4 | -14.6 | -127.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 677 | S | 29.4 | Very low | 32.1 | Very low | 89 Ų | 89 | 114.5 Ų | 114.5 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | 69.4 | 119.3 | 88.6 | -161.8 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 678 | T | 32.7 | Very low | 32.2 | Very low | 142 Ų | 142 | 115.7 Ų | 115.7 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | trans | 55.5 | 148.1 | 146.3 | 50.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 679 | G | 32.3 | Very low | 31.5 | Very low | 81 Ų | 81 | 114.1 Ų | 114.1 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | cis | 164.5 | 163.7 | -4.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 680 | G | 27.4 | Very low | 30.6 | Very low | 75 Ų | 75 | 117.9 Ų | 117.9 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 124.8 | 112.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 681 | S | 33 | Very low | 30.6 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | 78 | 128.2 | 63.2 | -162.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 682 | L | 30.6 | Very low | 30.6 | Very low | 169 Ų | 169 | 114.3 Ų | 114.3 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | cis | -119.3 | -179.3 | 13.3 | -72.5 | 163.6 | 0 | 0 | 0 | 111.8 | ||||
| 683 | G | 28.6 | Very low | 30.1 | Very low | 60 Ų | 60 | 119.9 Ų | 119.9 | 62% | 0.619 | 81% | 0.808 | S | S | * | * | cis | 140.9 | 135.1 | -9.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 684 | V | 32.3 | Very low | 29.7 | Very low | 158 Ų | 158 | 114.4 Ų | 114.4 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | trans | 68.9 | 136.2 | 177.1 | -163.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 685 | G | 29.3 | Very low | 29.5 | Very low | 59 Ų | 59 | 116.4 Ų | 116.4 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | cis | 155.3 | 149.7 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 686 | L | 31.4 | Very low | 29.3 | Very low | 194 Ų | 194 | 111.6 Ų | 111.6 | 100% | 1.016 | 79% | 0.788 | S | S | * | * | trans | 66.7 | 158.2 | 176.4 | -59.1 | 167.8 | 0 | 0 | 0 | 117.5 | ||||
| 687 | G | 27.3 | Very low | 29.2 | Very low | 79 Ų | 79 | 113.8 Ų | 113.8 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 133.4 | 109 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 688 | S | 31.2 | Very low | 29 | Very low | 126 Ų | 126 | 114.5 Ų | 114.5 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | trans | -103.8 | 176.8 | 173.4 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 689 | A | 31.6 | Very low | 28.6 | Very low | 88 Ų | 88 | 113 Ų | 113 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 86.2 | 103.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | G691 | A689-G691 PolarHBondContact O-N 2.93Š| ||
| 690 | L | 28.9 | Very low | 28.3 | Very low | 185 Ų | 185 | 114.8 Ų | 114.8 | 97% | 0.969 | 80% | 0.798 | S | S | * | * | 37.6 | 85.3 | 119.5 | -77.7 | 156.9 | 0 | 0 | 0 | 117.6 | |||||
| 691 | G | 26.3 | Very low | 28.2 | Very low | 81 Ų | 81 | 117.6 Ų | 117.6 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -113.6 | 129 | 149.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | A689 | A689-G691 PolarHBondContact O-N 2.93Š| ||
| 692 | G | 30.2 | Very low | 28 | Very low | 70 Ų | 70 | 117.7 Ų | 117.7 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -129.8 | 130.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 693 | F | 27.5 | Very low | 27.7 | Very low | 221 Ų | 221 | 115.8 Ų | 115.8 | 97% | 0.969 | 80% | 0.802 | S | S | * | * | trans | -166.5 | 155.7 | 163.5 | -129.6 | -86.9 | 0 | 0 | 0 | 111 | ||||
| 694 | G | 25.6 | Very low | 27.8 | Very low | 58 Ų | 58 | 118.1 Ų | 118.1 | 60% | 0.598 | 81% | 0.809 | S | S | * | * | trans | 88.6 | 99.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 695 | S | 28.2 | Very low | 27.6 | Very low | 111 Ų | 111 | 116.6 Ų | 116.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | 66.4 | 107.7 | 127.5 | -54.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 696 | S | 26.7 | Very low | 27.9 | Very low | 106 Ų | 106 | 118.7 Ų | 118.7 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | 87.9 | 152.6 | 117.3 | 74.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 697 | V | 23.7 | Very low | 27.8 | Very low | 124 Ų | 124 | 121.3 Ų | 121.3 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | 58.7 | 103.6 | 161.9 | -67.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 698 | S | 24.2 | Very low | 28 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | 87 | 144.1 | 118.4 | -59.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 699 | S | 24.6 | Very low | 27.7 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 54.6 | 88.6 | 148.5 | 53.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 700 | S | 25.3 | Very low | 27.6 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -36.3 | 145.3 | 146.5 | -33 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 701 | T | 25.3 | Very low | 27.6 | Very low | 134 Ų | 134 | 126.4 Ų | 126.4 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -147.3 | 130.9 | 135 | 8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 702 | S | 28.5 | Very low | 27.8 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 39.9 | 111.6 | 153.7 | 57.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 703 | S | 25.7 | Very low | 27.6 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -147.8 | 169.9 | 137.9 | 56.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 704 | S | 29.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -141 | 173.2 | -162.5 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 705 | V | 28.9 | Very low | 27.8 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | trans | 75.7 | 102.1 | 166.6 | -173.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 706 | S | 34.9 | Very low | 27.8 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | 25.8 | 119 | 129.3 | -46.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 707 | R | 30.8 | Very low | 27.9 | Very low | 250 Ų | 250 | 130.1 Ų | 130.1 | 94% | 0.943 | 77% | 0.77 | S | S | * | * | trans | 175.8 | 166.7 | 134.3 | -92.3 | 149.7 | -163.3 | -133.2 | 7.5 | 108.1 | ||||
| 708 | R | 30.1 | Very low | 28.1 | Very low | 210 Ų | 210 | 134.5 Ų | 134.5 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | cis | -177.1 | 147.9 | -38.9 | -166.6 | -169.3 | 174.5 | 137.8 | 3.3 | 104.3 | ||||
| 709 | D | 25.9 | Very low | 28.3 | Very low | 125 Ų | 125 | 140 Ų | 140 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | trans | 68 | 161.4 | 169.4 | -66.5 | -59.8 | 0 | 0 | 0 | 118.2 | ||||
| 710 | S | 28.7 | Very low | 28.4 | Very low | 87 Ų | 87 | 146.6 Ų | 146.6 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | cis | -175.5 | 156.4 | -38.9 | -93.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 711 | L | 29.1 | Very low | 28.4 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | 71.2 | 153.5 | 174.3 | -44.1 | -178.2 | 0 | 0 | 0 | 114.6 | ||||
| 712 | L | 30.1 | Very low | 28.5 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | cis | -137 | 156.7 | 22.6 | -72 | 158.1 | 0 | 0 | 0 | 113.6 | ||||
| 713 | A | 27.3 | Very low | 28.3 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 37.8 | 148.4 | 141.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 714 | S | 25.6 | Very low | 28.3 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | cis | -170.3 | 162.3 | -17.6 | -175.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 715 | S | 30.8 | Very low | 28.2 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | trans | 24.4 | 129 | 152.5 | 52.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 716 | D | 28.9 | Very low | 28.3 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | -164.8 | -178.9 | 64.4 | -111.6 | -50.1 | 0 | 0 | 0 | 115.7 | |||||
| 717 | L | 28.9 | Very low | 28.6 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | -89.9 | 167.2 | -169.7 | -88.1 | 74.6 | 0 | 0 | 0 | 117.3 | ||||
| 718 | Y | 27.6 | Very low | 28.3 | Very low | 215 Ų | 215 | 140.5 Ų | 140.5 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 111.7 | 147.2 | 147.8 | -61.4 | -70.2 | 0 | 0 | 0 | 120.3 | ||||
| 719 | K | 27.4 | Very low | 28.1 | Very low | 219 Ų | 219 | 134 Ų | 134 | 95% | 0.952 | 79% | 0.787 | S | S | * | * | trans | 80.8 | 161.8 | 176.7 | -76.3 | -176.7 | 175.6 | 175.9 | 0 | 118.3 | ||||
| 720 | R | 26.7 | Very low | 28.4 | Very low | 250 Ų | 250 | 136.6 Ų | 136.6 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | -132.1 | 134.1 | -151.7 | 170.1 | -156.7 | -93 | -169.7 | -5.8 | 111.1 | ||||
| 721 | G | 25.4 | Very low | 29.2 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 109.4 | 147.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 722 | G | 26.9 | Very low | 29 | Very low | 81 Ų | 81 | 137.4 Ų | 137.4 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 113.1 | 109.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 723 | S | 26.3 | Very low | 28.8 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -113.4 | 137.9 | -178.9 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 724 | S | 25 | Very low | 28.9 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -151.5 | 126.6 | 162.5 | 44.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 725 | L | 26.5 | Very low | 28.8 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | 62.9 | 100.7 | 152.9 | -55.6 | 175.2 | 0 | 0 | 0 | 120.1 | ||||
| 726 | T | 32.4 | Very low | 28.7 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | 42.8 | 147.8 | 118.7 | 60.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 727 | P | 40.4 | Very low | 28.6 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | cis | -156.4 | -172.8 | 40.4 | 46.7 | -25.9 | 0 | 0 | 0 | 119.2 | ||||
| 728 | I | 24.4 | Very low | 28.8 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | 71 | 134 | 158 | -67.1 | 161.7 | 0 | 0 | 0 | 119.6 | ||||
| 729 | G | 25.3 | Very low | 28.6 | Very low | 72 Ų | 72 | 143.1 Ų | 143.1 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | 139.5 | 94.5 | 155 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 730 | Q | 32.4 | Very low | 28.7 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -96.9 | 178.1 | 164.5 | -78.4 | -78.3 | -14.5 | 0 | 0 | 109.3 | ||||
| 731 | P | 45.8 | Very low | 28.8 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 60% | 0.597 | 79% | 0.793 | S | S | * | * | cis | -149 | -172.2 | 21.6 | 27 | 2.3 | 0 | 0 | 0 | 118.7 | ||||
| 732 | F | 25.3 | Very low | 29.8 | Very low | 174 Ų | 174 | 132 Ų | 132 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 74.2 | 141.7 | 162.1 | -63.1 | -75.6 | 0 | 0 | 0 | 119.8 | ||||
| 733 | Y | 26.3 | Very low | 30.2 | Very low | 194 Ų | 194 | 133.8 Ų | 133.8 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | cis | -160.7 | 175.2 | -23.3 | -144.6 | -119.5 | 0 | 0 | 0 | 112 | ||||
| 734 | N | 27.7 | Very low | 31.1 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -35.9 | 149 | -174.5 | -75.8 | -7.6 | 0 | 0 | 0 | 121.2 | ||||
| 735 | S | 23.7 | Very low | 31.4 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | -156.7 | 132.5 | 122.6 | -167.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 736 | L | 29.1 | Very low | 31.4 | Very low | 180 Ų | 180 | 131.1 Ų | 131.1 | 94% | 0.942 | 77% | 0.773 | S | S | * | * | trans | -149.7 | 140.6 | 164.7 | -90.8 | 179.4 | 0 | 0 | 0 | 109.5 | ||||
| 737 | G | 26.8 | Very low | 31.2 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -141.7 | 154.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 738 | Y | 33.2 | Very low | 30.7 | Very low | 236 Ų | 236 | 134.8 Ų | 134.8 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -88.3 | 153.2 | -170.4 | -79.8 | -100 | 0 | 0 | 0 | 114.5 | ||||
| 739 | S | 23.5 | Very low | 31.2 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -158.6 | 158.8 | 143.1 | -167.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 740 | S | 28.6 | Very low | 31.2 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -148.8 | 130 | -171.1 | -67.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 741 | S | 29.7 | Very low | 31 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 69.7 | 169 | 156 | 82.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 742 | P | 46.3 | Very low | 30.6 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | cis | -136.9 | 148 | -5.3 | 37 | -18.8 | 0 | 0 | 0 | 118.2 | ||||
| 743 | S | 35.6 | Very low | 31.4 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 51 | 172.5 | 140.6 | -56.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 744 | P | 45.8 | Very low | 31.5 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | cis | -138.9 | 177.1 | 3.6 | 44.3 | -25.7 | 0 | 0 | 0 | 118.7 | ||||
| 745 | I | 30.6 | Very low | 31.8 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | trans | 36.1 | 141.1 | 142.6 | -59.6 | 162.1 | 0 | 0 | 0 | 121.1 | ||||
| 746 | G | 26.1 | Very low | 32.6 | Very low | 61 Ų | 61 | 128.1 Ų | 128.1 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | cis | 153.1 | 173.4 | -2.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 747 | L | 29.4 | Very low | 33 | Very low | 172 Ų | 172 | 125.2 Ų | 125.2 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | trans | 75 | 160.1 | 177.1 | -42.4 | 176.9 | 0 | 0 | 0 | 116 | ||||
| 748 | T | 28.7 | Very low | 33.3 | Very low | 134 Ų | 134 | 128 Ų | 128 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | cis | -134.8 | -168.5 | 12.7 | 70.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 749 | P | 35.1 | Very low | 33.1 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -118.9 | 157.3 | -153.4 | 43.3 | -36.1 | 0 | 0 | 0 | 120.6 | ||||
| 750 | G | 25.6 | Very low | 33.6 | Very low | 66 Ų | 66 | 124.9 Ų | 124.9 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | 90.4 | 107.2 | 124.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 751 | H | 29 | Very low | 33.8 | Very low | 202 Ų | 202 | 126.1 Ų | 126.1 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | trans | -152 | 144.5 | 142.3 | -85.7 | -69.5 | 0 | 0 | 0 | 109.8 | ||||
| 752 | S | 35.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -108.6 | 178.5 | -173.6 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 753 | P | 42.7 | Very low | 33.1 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | cis | -147.6 | -168.2 | 10 | 46.4 | -26.5 | 0 | 0 | 0 | 117.8 | ||||
| 754 | L | 29.2 | Very low | 32.9 | Very low | 150 Ų | 150 | 129 Ų | 129 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 80.6 | 128.4 | 150.1 | -73.3 | 172.6 | 0 | 0 | 0 | 123.6 | ||||
| 755 | T | 33.8 | Very low | 32 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 85.4 | 148.4 | 145.6 | 49 | 0 | 0 | 0 | 0 | 122 | ||||
| 756 | P | 40.2 | Very low | 31.9 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -106.5 | 167.1 | -155.5 | 41.3 | -35.4 | 0 | 0 | 0 | 115.8 | ||||
| 757 | P | 37 | Very low | 32.2 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 145.5 | 176.8 | 30.8 | -36.1 | 0 | 0 | 0 | 113.5 | ||
| 758 | P | 33.4 | Very low | 32.3 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90 | 152.4 | -178.6 | 35.1 | -35.5 | 0 | 0 | 0 | 114.5 | ||
| 759 | S | 30 | Very low | 32.3 | Very low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 156.8 | 177.9 | -50.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 760 | L | 33.4 | Very low | 32.1 | Very low | 177 Ų | 177 | 125.2 Ų | 125.2 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 134.4 | 168.6 | -67.4 | 167.2 | 0 | 0 | 0 | 111.6 | ||
| 761 | P | 33.3 | Very low | 32.2 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 145.5 | 174.4 | 36.2 | -32.1 | 0 | 0 | 0 | 114.1 | ||
| 762 | S | 29 | Very low | 32.2 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 169.2 | 157.2 | -51.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 763 | S | 31 | Very low | 31.7 | Very low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | cis | -170.4 | 172.9 | 30.5 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 764 | H | 31.5 | Very low | 31.1 | Very low | 191 Ų | 191 | 124.4 Ų | 124.4 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | 59.4 | 132.5 | 159.2 | -62.5 | -65.6 | 0 | 0 | 0 | 121.9 | ||||
| 765 | G | 27.1 | Very low | 31.3 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 169.5 | 114.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 766 | S | 29.2 | Very low | 31.1 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -60 | 178.1 | -172.3 | -56.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 767 | S | 31.1 | Very low | 30.9 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -80.9 | 149 | -170.9 | -38.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 768 | S | 31.6 | Very low | 30.7 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | 105.5 | 124.7 | 145 | -41.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 769 | S | 30.2 | Very low | 30.8 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | 81.2 | 126.3 | 145.8 | -76.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 770 | L | 30.3 | Very low | 30.9 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | 88 | 146 | 137.4 | -73.1 | 171 | 0 | 0 | 0 | 122.6 | ||||
| 771 | H | 27.6 | Very low | 31.1 | Very low | 161 Ų | 161 | 123.7 Ų | 123.7 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | 61.8 | 101.7 | 161.6 | -82 | -80.1 | 0 | 0 | 0 | 122.6 | ||||
| 772 | L | 28.1 | Very low | 31.2 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | 57.9 | 95.6 | 110.2 | -168 | 70.4 | 0 | 0 | 0 | 120.5 | |||||
| 773 | G | 27 | Very low | 31.4 | Very low | 80 Ų | 80 | 129 Ų | 129 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 86 | 165.8 | 139.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 774 | G | 28.7 | Very low | 31.5 | Very low | 76 Ų | 76 | 129.9 Ų | 129.9 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 104.6 | 91.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 775 | L | 33.8 | Very low | 31.7 | Very low | 161 Ų | 161 | 125.2 Ų | 125.2 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 21.2 | 136.2 | 136.6 | -58.5 | 175.3 | 0 | 0 | 0 | 122.9 | ||||
| 776 | T | 30.6 | Very low | 32.1 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | trans | 67.4 | 113.1 | 138.5 | 54.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 777 | N | 35.3 | Very low | 32.6 | Very low | 173 Ų | 173 | 126 Ų | 126 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | 62 | 130.4 | 120.2 | -159.2 | 36.2 | 0 | 0 | 0 | 122.4 | |||||
| 778 | G | 32.2 | Very low | 32.5 | Very low | 67 Ų | 67 | 124.4 Ų | 124.4 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 130.3 | 89.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 779 | S | 35.5 | Very low | 32.7 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 23.7 | 110.2 | 140 | 177.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 780 | G | 33.2 | Very low | 32.7 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | 95.8 | 144.8 | 98.8 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 781 | R | 37.7 | Very low | 32.9 | Very low | 200 Ų | 200 | 123.9 Ų | 123.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 74.7 | 146.7 | 154.1 | -57.8 | -177.3 | 175.6 | -142 | -6.3 | 118 | ||||
| 782 | Y | 35.3 | Very low | 33.2 | Very low | 178 Ų | 178 | 124.6 Ų | 124.6 | 70% | 0.698 | 79% | 0.789 | S | S | * | * | cis | -167.8 | -178.5 | -11 | -98.5 | -28.8 | 0 | 0 | 0 | 111 | ||||
| 783 | I | 32 | Very low | 33.4 | Very low | 170 Ų | 170 | 125.1 Ų | 125.1 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | 94.3 | 150.3 | 159.5 | -48.5 | -171.4 | 0 | 0 | 0 | 117.3 | ||||
| 784 | S | 33.4 | Very low | 33.7 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -127.7 | 171.8 | -161.8 | -51.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 785 | A | 35.8 | Very low | 33.8 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | 83.7 | 110.8 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 786 | A | 36.1 | Very low | 33.7 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 45.4 | 164.4 | 130.6 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 787 | P | 38.6 | Very low | 33.7 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | cis | -137.3 | 172.8 | 1.8 | 42.7 | -26.2 | 0 | 0 | 0 | 117.2 | ||||
| 788 | G | 29.6 | Very low | 33.4 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | 97.6 | 174.2 | 127.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 789 | A | 34.9 | Very low | 33.5 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 81.3 | 92.8 | 166 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 790 | E | 32.2 | Very low | 33.3 | Very low | 180 Ų | 180 | 127.4 Ų | 127.4 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | 49.7 | 124.6 | 127.8 | -59.7 | -165 | 93.2 | 0 | 0 | 124.3 | |||||
| 791 | A | 34.1 | Very low | 33.2 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | 41.3 | 152.6 | 123.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 792 | K | 33.3 | Very low | 33.2 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | 177.2 | 170.9 | 53.5 | -145.3 | 167 | -172 | 163.9 | 0 | 110.7 | |||||
| 793 | Y | 33 | Very low | 33.1 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | trans | 76.8 | 100.3 | 162.6 | -84.2 | -95.3 | 0 | 0 | 0 | 123.2 | ||||
| 794 | R | 32.1 | Very low | 33 | Very low | 223 Ų | 223 | 127.7 Ų | 127.7 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | 74.9 | 140.9 | 122.7 | -76.1 | -165.7 | -175.6 | -177.1 | -0.4 | 124.2 | |||||
| 795 | S | 30.4 | Very low | 32.9 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -93.1 | 154.4 | -178.7 | -4.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 796 | A | 33 | Very low | 32.8 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -149.8 | 150.8 | 132.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 797 | G | 29.8 | Very low | 32.9 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | cis | 89.4 | 118.3 | 38.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 798 | G | 30 | Very low | 33.2 | Very low | 66 Ų | 66 | 130.7 Ų | 130.7 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | cis | 171.2 | -155.7 | 1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 799 | T | 33 | Very low | 33.6 | Very low | 153 Ų | 153 | 134 Ų | 134 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | trans | 68.5 | -177 | 170.9 | 78.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 800 | S | 32.1 | Very low | 33.8 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -159.9 | -162.8 | -136 | 59 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 801 | S | 31.1 | Very low | 34.3 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | 73.5 | 131.1 | -170.6 | 71.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 802 | L | 36.8 | Very low | 34.6 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | cis | 73.2 | 96.8 | 41.5 | -60.4 | 170.1 | 0 | 0 | 0 | 113.6 | ||||
| 803 | F | 34.8 | Very low | 35 | Very low | 219 Ų | 219 | 134.5 Ų | 134.5 | 96% | 0.961 | 79% | 0.791 | S | S | * | * | -161.2 | -169.4 | 125.7 | -126.4 | -94.8 | 0 | 0 | 0 | 111.6 | |||||
| 804 | N | 28.1 | Very low | 35.3 | Very low | 133 Ų | 133 | 137 Ų | 137 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -132.5 | 162.1 | -150.9 | -179.1 | 36.9 | 0 | 0 | 0 | 114.1 | ||||
| 805 | S | 32.3 | Very low | 35.8 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 58% | 0.58 | 80% | 0.798 | S | S | * | * | trans | 70.9 | 114.5 | 156.6 | -80 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 806 | S | 34.2 | Very low | 36.1 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | 82.1 | 157.7 | 118.8 | -58.4 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 807 | S | 36.8 | Very low | 36.3 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 90.7 | 136.6 | 163.6 | -57.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 808 | Q | 44.9 | Very low | 36.7 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -85.8 | 160.3 | -176.3 | -58.5 | 171.7 | -11 | 0 | 0 | 111.4 | ||||
| 809 | L | 38.8 | Very low | 37.2 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | 179 | 165.6 | 121 | -92.8 | 158.1 | 0 | 0 | 0 | 110.4 | |||||
| 810 | F | 40.2 | Very low | 37.6 | Very low | 188 Ų | 188 | 148.1 Ų | 148.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | 67.7 | 110.3 | 179.4 | -49.9 | -72.3 | 0 | 0 | 0 | 117.7 | P812 | F810-P812 WeakPolarHBondContact O-CD 3.16Š| ||
| 811 | P | 40.7 | Very low | 38.2 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -90.8 | 117.2 | 165.9 | 33.2 | -28.8 | 0 | 0 | 0 | 111.8 | S813 | P811-S813 PolarHBondContact O-N 2.87Š| ||
| 812 | P | 41.4 | Very low | 39.3 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -83.7 | 105.6 | 170.8 | 31.2 | -31.6 | 0 | 0 | 0 | 110.9 | F810 R814 | F810-P812 WeakPolarHBondContact O-CD 3.16Å; P812-R814 PolarHBondContact O-N 3.3Å | ||
| 813 | S | 41.4 | Very low | 40 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -62.9 | 95.4 | -179.1 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | P811 | P811-S813 PolarHBondContact O-N 2.87Š| ||
| 814 | R | 40.3 | Very low | 40.9 | Very low | 226 Ų | 226 | 144 Ų | 144 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -140.2 | 116.8 | 158 | -74.1 | -165.9 | 178.2 | -156.7 | 0.2 | 110.6 | P812 R816 | P812-R814 PolarHBondContact O-N 3.3Å; R814-R816 VanDerWaalsContact C-N 3.3Å; R814-R816 PolarHBondContact O-N 3.34Å | ||
| 815 | P | 41.6 | Very low | 42.4 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -68.2 | 94.4 | 161.5 | 29.5 | -31.7 | 0 | 0 | 0 | 108.2 | Y817 | P815-Y817 PolarHBondContact O-N 3.23Å; P815-Y817 VanDerWaalsContact O-N 3.16Å | ||
| 816 | R | 37.3 | Very low | 44.8 | Very low | 234 Ų | 234 | 140.3 Ų | 140.3 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -62.1 | 113.9 | 154.3 | -82.1 | -175.6 | 173.2 | 170 | -1 | 105.7 | R814 S818 | R814-R816 VanDerWaalsContact C-N 3.3Å; R814-R816 PolarHBondContact O-N 3.34Å; R816-S818 PolarHBondContact O-N 3.25Å | ||
| 817 | Y | 37.4 | Very low | 47.5 | Very low | 221 Ų | 221 | 139.8 Ų | 139.8 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | trans | -51.8 | 109.3 | 162.7 | -95.5 | -96.4 | 0 | 0 | 0 | 107.6 | P815 R819 | P815-Y817 PolarHBondContact O-N 3.23Å; P815-Y817 VanDerWaalsContact O-N 3.16Å; Y817-R819 PolarHBondContact O-N 3.22Å | ||
| 818 | S | 36.8 | Very low | 50.3 | Low | 78 Ų | 78 | 135.2 Ų | 135.2 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | trans | -65.9 | 133.9 | 171.8 | -172.9 | 0 | 0 | 0 | 0 | 107.1 | R816 S820 | R816-S818 PolarHBondContact O-N 3.25Å; S818-S820 PolarHBondContact O-N 2.83Å; S818-S820 PolarHBondContact OG-OG 3.5Å | ||
| 819 | R | 41.1 | Very low | 52.6 | Low | 237 Ų | 237 | 135.9 Ų | 135.9 | 89% | 0.894 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 47.4 | 178.8 | -159.8 | -177.5 | -176.6 | -172.3 | 1.3 | 110.8 | Y817 | Y817-R819 PolarHBondContact O-N 3.22Š|
| 820 | S | 41.9 | Very low | 55.3 | Low | 82 Ų | 82 | 130.7 Ų | 130.7 | 57% | 0.573 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -30.8 | -176.6 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | S818 V822 | S818-S820 PolarHBondContact O-N 2.83Å; S818-S820 PolarHBondContact OG-OG 3.5Å; S820-V822 PolarHBondContact O-N 3.17Å |
| 821 | D | 43.7 | Very low | 57.9 | Low | 130 Ų | 130 | 121.8 Ų | 121.8 | 70% | 0.695 | 64% | 0.635 | S | S | * | * | trans | -86.7 | 44 | -173.5 | -50.9 | -49.2 | 0 | 0 | 0 | 113.1 | M823 | D821-M823 PolarHBondContact O-N 3.45Š| ||
| 822 | V | 55 | Low | 60.5 | Low | 114 Ų | 114 | 119 Ų | 119 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -78.3 | 110.1 | 153.9 | 179.3 | 0 | 0 | 0 | 0 | 105.4 | S820 | S820-V822 PolarHBondContact O-N 3.17Š|
| 823 | M | 51.9 | Low | 63 | Low | 164 Ų | 164 | 114.1 Ų | 114.1 | 81% | 0.808 | 58% | 0.579 | S | S | * | * | trans | -52.5 | 139.8 | -174.1 | -79.8 | -69.7 | 168.9 | 0 | 0 | 111.8 | D821 | D821-M823 PolarHBondContact O-N 3.45Š| ||
| 824 | P | 53 | Low | 65.6 | Low | 98 Ų | 98 | 110.3 Ų | 110.3 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | trans | -72.7 | 155.8 | -153 | 27.1 | -36.2 | 0 | 0 | 0 | 114.3 | G826 | P824-G826 PolarHBondContact O-N 3.06Š| ||
| 825 | S | 60.1 | Low | 68.2 | Low | 61 Ų | 61 | 103.8 Ų | 103.8 | 43% | 0.427 | 52% | 0.523 | S | S | . | . | trans | -60.5 | 10.8 | 172.8 | -175 | 0 | 0 | 0 | 0 | 114.1 | R827 E832 | S825-R827 PolarHBondContact O-N 3.23Å; S825-R827 PolarHBondContact O-NH1 3.04Å; S825-R827 VanDerWaalsContact O-NH1 3.09Å; S825-R827 PolarHBondContact OG-NH1 2.84Å; S825-E832 WeakPolarHBondContact CB-OE2 3.24Å; S825-E832 PolarHBondContact OG-OE2 3.42Å | ||
| 826 | G | 82.8 | Confident | 70.6 | Confident | 77 Ų | 77 | 102.6 Ų | 102.6 | 79% | 0.794 | 51% | 0.51 | S | S | * | . | S | Bend | trans | 67.3 | -23.2 | -157.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P824 | P824-G826 PolarHBondContact O-N 3.06Š|
| 827 | R | 90.7 | Very high | 73.2 | Confident | 94 Ų | 94 | 97.1 Ų | 97.1 | 36% | 0.355 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -85.8 | 151.1 | -178.8 | -60.4 | 175.1 | -179.8 | 70 | 11.1 | 112.5 | S825 L831 E853 D857 | S825-R827 PolarHBondContact O-N 3.23Å; S825-R827 PolarHBondContact O-NH1 3.04Å; S825-R827 VanDerWaalsContact O-NH1 3.09Å; S825-R827 PolarHBondContact OG-NH1 2.84Å; R827-L831 HydrophobicContact CB-CB 4.45Å; R827-L831 HydrophobicContact CB-CD2 4.05Å; R827-L831 HydrophobicContact CB-CG 4.45Å; R827-L831 HydrophobicContact CG-CD2 3.72Å; R827-L831 HydrophobicContact CG-CG 4.42Å; R827-E853 WeakPolarHBondContact CA-OE1 3.44Å; R827-D857 IonicContact CZ-OD2 3.18Å; R827-D857 IonicContact NE-OD2 2.9Å; R827-D857 PolarHBondContact NE-OD2 3.17Å; R827-D857 IonicContact NH2-OD2 3.63Å |
| 828 | S | 95.1 | Very high | 75.8 | Confident | 28 Ų | 28 | 94.5 Ų | 94.5 | 20% | 0.196 | 49% | 0.487 | C | S | . | . | trans | -65.7 | 158.5 | 165.6 | 71.8 | 0 | 0 | 0 | 0 | 111.5 | L830 L831 E832 H850 E853 | S828-L830 PolarHBondContact O-N 3.29Å; S828-L831 PolarHBondContact O-N 3.39Å; S828-L831 PolarHBondContact OG-N 3.22Å; S828-E832 PolarHBondContact O-N 3.31Å; S828-H850 WeakPolarHBondContact CB-CE1 3.25Å; S828-H850 PolarHBondContact OG-CE1 3.45Å; S828-H850 PolarHBondContact OG-ND1 3.43Å; S828-E853 WeakPolarHBondContact CB-OE1 3.3Å; S828-E853 WeakPolarHBondContact CB-OE2 3.31Å; S828-E853 PolarHBondContact N-OE1 3.43Å; S828-E853 VanDerWaalsContact OG-CD 3.25Å; S828-E853 PolarHBondContact OG-OE1 2.93Å; S828-E853 VanDerWaalsContact OG-OE1 3.04Å; S828-E853 PolarHBondContact OG-OE2 3.4Å | ||
| 829 | R | 93.6 | Very high | 78.3 | Confident | 196 Ų | 196 | 95.1 Ų | 95.1 | 74% | 0.74 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.8 | -33.2 | 173 | -179.2 | 174.3 | 173 | -175.9 | -2.9 | 112.5 | E832 D833 | R829-E832 PolarHBondContact O-N 3.2Å; R829-D833 WeakPolarHBondContact CG-OD2 3.26Å; R829-D833 IonicContact NE-OD2 3.49Å; R829-D833 PolarHBondContact NE-OD2 3.35Å; R829-D833 VanDerWaalsContact NE-OD2 3.12Å; R829-D833 VanDerWaalsContact O-CB 3.32Å; R829-D833 WeakPolarHBondContact O-CB 3.41Å; R829-D833 PolarHBondContact O-N 3.3Å |
| 830 | L | 95 | Very high | 80.4 | Confident | 36 Ų | 36 | 88.1 Ų | 88.1 | 19% | 0.188 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 179.6 | -178.8 | 61.2 | 0 | 0 | 0 | 111.2 | S828 F834 F839 L847 H850 F854 | S828-L830 PolarHBondContact O-N 3.29Å; L830-F834 VanDerWaalsContact O-CB 3.26Å; L830-F834 WeakPolarHBondContact O-CB 3.31Å; L830-F834 PolarHBondContact O-N 3.1Å; L830-F839 HydrophobicContact CD1-CD2 4.11Å; L830-F839 HydrophobicContact CD1-CE2 3.92Å; L830-L847 HydrophobicContact CD2-CD2 3.97Å; L830-L847 HydrophobicContact CG-CD2 4.48Å; L830-H850 HydrophobicContact CD2-CB 4.29Å; L830-F854 HydrophobicContact CD2-CE2 4.35Å; L830-F854 HydrophobicContact CG-CE2 4.13Å; L830-F854 HydrophobicContact CG-CZ 4.08Å |
| 831 | L | 95.3 | Very high | 82.7 | Confident | 2 Ų | 2 | 90.6 Ų | 90.6 | 1% | 0.01 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 176.1 | 179.8 | 58.6 | 0 | 0 | 0 | 111.8 | R827 S828 F834 R835 E853 F854 D857 | R827-L831 HydrophobicContact CB-CB 4.45Å; R827-L831 HydrophobicContact CB-CD2 4.05Å; R827-L831 HydrophobicContact CB-CG 4.45Å; R827-L831 HydrophobicContact CG-CD2 3.72Å; R827-L831 HydrophobicContact CG-CG 4.42Å; S828-L831 PolarHBondContact O-N 3.39Å; S828-L831 PolarHBondContact OG-N 3.22Å; L831-F834 HydrophobicContact CD1-CD1 4.36Å; L831-F834 PolarHBondContact O-N 2.96Å; L831-R835 HydrophobicContact CD1-CG 4.16Å; L831-R835 HydrophobicContact CG-CG 4.47Å; L831-R835 WeakPolarHBondContact O-CB 3.48Å; L831-R835 VanDerWaalsContact O-CG 3.24Å; L831-R835 WeakPolarHBondContact O-CG 3.5Å; L831-R835 PolarHBondContact O-N 3.46Å; L831-E853 WeakPolarHBondContact CB-OE1 3.28Å; L831-E853 HydrophobicContact CD2-CG 4.03Å; L831-E853 VanDerWaalsContact CD2-OE1 3.31Å; L831-E853 WeakPolarHBondContact CD2-OE1 3.45Å; L831-F854 HydrophobicContact CB-CD2 4.13Å; L831-F854 HydrophobicContact CB-CE2 3.58Å; L831-F854 HydrophobicContact CB-CZ 4.04Å; L831-F854 HydrophobicContact CD1-CD1 4.08Å; L831-F854 HydrophobicContact CD1-CD2 3.97Å; L831-F854 HydrophobicContact CD1-CE1 3.98Å; L831-F854 HydrophobicContact CD1-CE2 3.89Å; L831-F854 HydrophobicContact CD1-CG 4.07Å; L831-F854 HydrophobicContact CD1-CZ 3.89Å; L831-F854 HydrophobicContact CG-CD2 4.49Å; L831-F854 HydrophobicContact CG-CE2 4.29Å; L831-D857 HydrophobicContact CD1-CB 3.91Å; L831-D857 HydrophobicContact CD2-CB 3.68Å; L831-D857 HydrophobicContact CG-CB 4.38Å |
| 832 | E | 95.1 | Very high | 85.1 | Confident | 61 Ų | 61 | 84.9 Ų | 84.9 | 29% | 0.285 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.9 | -45.9 | 178.5 | -164.1 | 63.2 | -114.5 | 0 | 0 | 112 | S825 S828 R829 F834 R835 N836 | S825-E832 WeakPolarHBondContact CB-OE2 3.24Å; S825-E832 PolarHBondContact OG-OE2 3.42Å; S828-E832 PolarHBondContact O-N 3.31Å; R829-E832 PolarHBondContact O-N 3.2Å; E832-F834 VanDerWaalsContact C-N 3.31Å; E832-F834 PolarHBondContact O-N 3.13Å; E832-R835 PolarHBondContact O-N 2.83Å; E832-N836 WeakPolarHBondContact O-CB 3.41Å; E832-N836 PolarHBondContact O-N 3.05Å; E832-N836 PolarHBondContact O-ND2 3.03Å; E832-N836 PolarHBondContact OE1-ND2 3.25Å |
| 833 | D | 94.3 | Very high | 86.9 | Confident | 16 Ų | 16 | 82.1 Ų | 82.1 | 9% | 0.086 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64 | -33.4 | 174 | -85.9 | -47.6 | 0 | 0 | 0 | 111.4 | R829 N837 R838 F839 | R829-D833 WeakPolarHBondContact CG-OD2 3.26Å; R829-D833 IonicContact NE-OD2 3.49Å; R829-D833 PolarHBondContact NE-OD2 3.35Å; R829-D833 VanDerWaalsContact NE-OD2 3.12Å; R829-D833 VanDerWaalsContact O-CB 3.32Å; R829-D833 WeakPolarHBondContact O-CB 3.41Å; R829-D833 PolarHBondContact O-N 3.3Å; D833-N837 PolarHBondContact O-N 3.42Å; D833-R838 HydrophobicContact CB-CB 4.24Å; D833-R838 VanDerWaalsContact O-CB 3.25Å; D833-R838 WeakPolarHBondContact O-CB 3.28Å; D833-R838 PolarHBondContact O-N 3.13Å; D833-R838 IonicContact OD1-CZ 2.69Å; D833-R838 IonicContact OD1-NE 2.99Å; D833-R838 PolarHBondContact OD1-NE 3.17Å; D833-R838 IonicContact OD1-NH2 3.94Å; D833-R838 PolarHBondContact OD1-NH2 3.08Å; D833-F839 HydrophobicContact CB-CD2 3.93Å; D833-F839 HydrophobicContact CB-CE2 3.54Å |
| 834 | F | 95.8 | Very high | 89 | Confident | 36 Ų | 36 | 74.4 Ų | 74.4 | 16% | 0.158 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.9 | -50.7 | 171 | 170.9 | -108.7 | 0 | 0 | 0 | 112.6 | L830 L831 E832 N836 N837 L842 F854 H859 F863 | L830-F834 VanDerWaalsContact O-CB 3.26Å; L830-F834 WeakPolarHBondContact O-CB 3.31Å; L830-F834 PolarHBondContact O-N 3.1Å; L831-F834 HydrophobicContact CD1-CD1 4.36Å; L831-F834 PolarHBondContact O-N 2.96Å; E832-F834 VanDerWaalsContact C-N 3.31Å; E832-F834 PolarHBondContact O-N 3.13Å; F834-N836 PolarHBondContact O-N 3.31Å; F834-N837 WeakPolarHBondContact O-CA 3.43Å; F834-N837 PolarHBondContact O-N 3.11Å; F834-L842 HydrophobicContact CB-CD2 4.17Å; F834-L842 HydrophobicContact CD2-CB 4.47Å; F834-L842 HydrophobicContact CD2-CD2 3.53Å; F834-L842 HydrophobicContact CE2-CD2 4.18Å; F834-L842 HydrophobicContact CG-CD2 3.95Å; F834-F854 HydrophobicContact CB-CE1 4.13Å; F834-F854 HydrophobicContact CB-CZ 4.03Å; F834-F854 HydrophobicContact CD1-CD1 4.38Å; F834-F854 AromaticContact CD1-CE1 3.58Å; F834-F854 HydrophobicContact CD1-CE1 3.58Å; F834-F854 HydrophobicContact CD1-CZ 4.26Å; F834-F854 HydrophobicContact CE1-CE1 4.19Å; F834-F854 AromaticContact CG-CE1 3.86Å; F834-F854 HydrophobicContact CG-CE1 3.86Å; F834-F854 HydrophobicContact CG-CZ 4.28Å; F834-H859 HydrophobicContact CE1-CB 4.08Å; F834-F863 HydrophobicContact CE1-CB 4.18Å; F834-F863 AromaticContact CE2-CD2 3.79Å; F834-F863 HydrophobicContact CE2-CD2 3.79Å; F834-F863 HydrophobicContact CE2-CE2 4.2Å; F834-F863 HydrophobicContact CE2-CG 4.29Å; F834-F863 HydrophobicContact CZ-CB 3.73Å; F834-F863 AromaticContact CZ-CD2 3.74Å; F834-F863 HydrophobicContact CZ-CD2 3.74Å; F834-F863 AromaticContact CZ-CG 3.88Å; F834-F863 HydrophobicContact CZ-CG 3.88Å |
| 835 | R | 94.3 | Very high | 90.9 | Very high | 89 Ų | 89 | 77.4 Ų | 77.4 | 34% | 0.336 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.8 | -34.7 | 177.6 | -75.5 | 167.9 | 57.8 | 90.7 | 17.1 | 112.2 | L831 E832 N837 D857 H859 | L831-R835 HydrophobicContact CD1-CG 4.16Å; L831-R835 HydrophobicContact CG-CG 4.47Å; L831-R835 WeakPolarHBondContact O-CB 3.48Å; L831-R835 VanDerWaalsContact O-CG 3.24Å; L831-R835 WeakPolarHBondContact O-CG 3.5Å; L831-R835 PolarHBondContact O-N 3.46Å; E832-R835 PolarHBondContact O-N 2.83Å; R835-N837 PolarHBondContact O-N 2.77Å; R835-D857 IonicContact CZ-OD2 3.64Å; R835-D857 IonicContact NE-OD2 3.71Å; R835-D857 VanDerWaalsContact NH1-CG 3.34Å; R835-D857 IonicContact NH1-OD1 2.77Å; R835-D857 PolarHBondContact NH1-OD1 3.29Å; R835-D857 VanDerWaalsContact NH1-OD1 3.14Å; R835-D857 IonicContact NH1-OD2 2.74Å; R835-D857 PolarHBondContact NH1-OD2 3.04Å; R835-H859 HydrophobicContact CG-CB 4.38Å; R835-H859 PolarHBondContact NH1-CD2 2.85Å |
| 836 | N | 93.7 | Very high | 92.5 | Very high | 100 Ų | 100 | 77.9 Ų | 77.9 | 54% | 0.535 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 16.3 | 174.4 | -69.5 | -76.6 | 0 | 0 | 0 | 113.8 | E832 F834 R838 | E832-N836 WeakPolarHBondContact O-CB 3.41Å; E832-N836 PolarHBondContact O-N 3.05Å; E832-N836 PolarHBondContact O-ND2 3.03Å; E832-N836 PolarHBondContact OE1-ND2 3.25Å; F834-N836 PolarHBondContact O-N 3.31Å; N836-R838 VanDerWaalsContact C-N 3.27Å; N836-R838 HydrophobicContact CB-CG 4.18Å; N836-R838 WeakPolarHBondContact O-CG 3.48Å; N836-R838 PolarHBondContact O-N 3.4Å |
| 837 | N | 91.6 | Very high | 93.1 | Very high | 120 Ų | 120 | 74.2 Ų | 74.2 | 64% | 0.642 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 34.2 | 177.7 | -165.3 | 27.7 | 0 | 0 | 0 | 114.6 | D833 F834 R835 | D833-N837 PolarHBondContact O-N 3.42Å; F834-N837 WeakPolarHBondContact O-CA 3.43Å; F834-N837 PolarHBondContact O-N 3.11Å; R835-N837 PolarHBondContact O-N 2.77Å |
| 838 | R | 91.1 | Very high | 93.3 | Very high | 166 Ų | 166 | 73 Ų | 73 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -89.5 | -14.4 | -179.8 | -52.8 | -128.9 | -74.7 | -160.1 | -9.6 | 112.9 | D833 N836 P840 | D833-R838 HydrophobicContact CB-CB 4.24Å; D833-R838 VanDerWaalsContact O-CB 3.25Å; D833-R838 WeakPolarHBondContact O-CB 3.28Å; D833-R838 PolarHBondContact O-N 3.13Å; D833-R838 IonicContact OD1-CZ 2.69Å; D833-R838 IonicContact OD1-NE 2.99Å; D833-R838 PolarHBondContact OD1-NE 3.17Å; D833-R838 IonicContact OD1-NH2 3.94Å; D833-R838 PolarHBondContact OD1-NH2 3.08Å; N836-R838 VanDerWaalsContact C-N 3.27Å; N836-R838 HydrophobicContact CB-CG 4.18Å; N836-R838 WeakPolarHBondContact O-CG 3.48Å; N836-R838 PolarHBondContact O-N 3.4Å; R838-P840 VanDerWaalsContact C-CD 3.44Å; R838-P840 WeakPolarHBondContact O-CD 3.28Å |
| 839 | F | 88.7 | Confident | 93.2 | Very high | 90 Ų | 90 | 74.8 Ų | 74.8 | 40% | 0.395 | 37% | 0.368 | S | S | . | . | trans | -119.8 | 69.3 | 170.8 | -62 | -63 | 0 | 0 | 0 | 111.4 | L830 D833 N841 L842 | L830-F839 HydrophobicContact CD1-CD2 4.11Å; L830-F839 HydrophobicContact CD1-CE2 3.92Å; D833-F839 HydrophobicContact CB-CD2 3.93Å; D833-F839 HydrophobicContact CB-CE2 3.54Å; F839-N841 PolarHBondContact O-N 3.3Å; F839-L842 HydrophobicContact CB-CB 4.19Å; F839-L842 HydrophobicContact CB-CD1 4.11Å; F839-L842 HydrophobicContact CG-CD1 4.49Å; F839-L842 WeakPolarHBondContact O-CB 3.42Å; F839-L842 PolarHBondContact O-N 2.97Å | ||
| 840 | P | 85 | Confident | 93.4 | Very high | 91 Ų | 91 | 68.1 Ų | 68.1 | 59% | 0.591 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.3 | -176.4 | 26.8 | -36.1 | 0 | 0 | 0 | 114 | R838 | R838-P840 VanDerWaalsContact C-CD 3.44Å; R838-P840 WeakPolarHBondContact O-CD 3.28Å |
| 841 | N | 90.9 | Very high | 93.4 | Very high | 134 Ų | 134 | 66.4 Ų | 66.4 | 72% | 0.717 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 18.7 | -176.7 | -68.8 | -31.2 | 0 | 0 | 0 | 113.7 | F839 Q843 | F839-N841 PolarHBondContact O-N 3.3Å; N841-Q843 PolarHBondContact O-NE2 3.23Å |
| 842 | L | 93.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | trans | -57.1 | 146.1 | -177 | -162.2 | 66.7 | 0 | 0 | 0 | 112.3 | F834 F839 D846 L847 F854 F863 K867 | F834-L842 HydrophobicContact CB-CD2 4.17Å; F834-L842 HydrophobicContact CD2-CB 4.47Å; F834-L842 HydrophobicContact CD2-CD2 3.53Å; F834-L842 HydrophobicContact CE2-CD2 4.18Å; F834-L842 HydrophobicContact CG-CD2 3.95Å; F839-L842 HydrophobicContact CB-CB 4.19Å; F839-L842 HydrophobicContact CB-CD1 4.11Å; F839-L842 HydrophobicContact CG-CD1 4.49Å; F839-L842 WeakPolarHBondContact O-CB 3.42Å; F839-L842 PolarHBondContact O-N 2.97Å; L842-D846 HydrophobicContact CD1-CB 3.54Å; L842-D846 HydrophobicContact CG-CB 4.35Å; L842-L847 HydrophobicContact CD2-CD2 3.82Å; L842-L847 HydrophobicContact CG-CD2 4.36Å; L842-F854 HydrophobicContact CD2-CE1 4.11Å; L842-F854 HydrophobicContact CD2-CZ 4.39Å; L842-F863 HydrophobicContact CB-CE2 3.94Å; L842-F863 HydrophobicContact CB-CZ 3.84Å; L842-F863 HydrophobicContact CD2-CE1 4.48Å; L842-F863 HydrophobicContact CD2-CZ 4.14Å; L842-F863 HydrophobicContact CG-CE2 4.43Å; L842-F863 HydrophobicContact CG-CZ 3.91Å; L842-F863 WeakPolarHBondContact O-CE2 3.42Å; L842-F863 VanDerWaalsContact O-CZ 3.29Å; L842-F863 WeakPolarHBondContact O-CZ 3.32Å; L842-K867 WeakPolarHBondContact O-CE 3.48Å; L842-K867 PolarHBondContact O-NZ 3.07Å | ||
| 843 | Q | 94.3 | Very high | 93.6 | Very high | 57 Ų | 57 | 67.3 Ų | 67.3 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | trans | -127.5 | 166.5 | 179 | -50.2 | -58.1 | -30.5 | 0 | 0 | 110.9 | N841 R845 D846 | N841-Q843 PolarHBondContact O-NE2 3.23Å; Q843-R845 VanDerWaalsContact C-N 3.31Å; Q843-R845 HydrophobicContact CB-CG 4.02Å; Q843-R845 PolarHBondContact O-N 2.74Å; Q843-D846 WeakPolarHBondContact CA-OD2 3.18Å; Q843-D846 WeakPolarHBondContact CB-OD2 3.46Å; Q843-D846 PolarHBondContact N-OD2 2.81Å; Q843-D846 WeakPolarHBondContact O-CB 3.43Å; Q843-D846 PolarHBondContact O-N 2.89Å; Q843-D846 VanDerWaalsContact O-N 3.09Å | ||
| 844 | L | 94.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -61.6 | -38.8 | 178.9 | -68.2 | 173.3 | 0 | 0 | 0 | 112.2 | D846 L847 M851 F863 I864 K867 L868 A871 E875 V879 | L844-D846 PolarHBondContact O-N 2.89Å; L844-L847 WeakPolarHBondContact O-CB 3.24Å; L844-L847 PolarHBondContact O-N 3.34Å; L844-M851 WeakPolarHBondContact O-CE 3.26Å; L844-F863 HydrophobicContact CD2-CE1 4.37Å; L844-I864 HydrophobicContact CD2-CG1 4.23Å; L844-K867 HydrophobicContact CD1-CB 3.73Å; L844-K867 HydrophobicContact CD2-CB 3.8Å; L844-K867 HydrophobicContact CD2-CG 4.31Å; L844-K867 HydrophobicContact CG-CB 3.63Å; L844-K867 HydrophobicContact CG-CG 4.21Å; L844-L868 HydrophobicContact CD1-CD2 4.39Å; L844-A871 HydrophobicContact CD1-CB 3.71Å; L844-E875 HydrophobicContact CD1-CB 4.25Å; L844-V879 HydrophobicContact CB-CG2 4.23Å; L844-V879 HydrophobicContact CD1-CG2 3.97Å; L844-V879 HydrophobicContact CD2-CG2 3.88Å; L844-V879 HydrophobicContact CG-CG2 4.24Å |
| 845 | R | 93.7 | Very high | 93.9 | Very high | 161 Ų | 161 | 64.8 Ų | 64.8 | 61% | 0.608 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -61.8 | -11 | 174.9 | 68.7 | -179.1 | 178.3 | -148.6 | -3.7 | 115.4 | Q843 P848 M878 | Q843-R845 VanDerWaalsContact C-N 3.31Å; Q843-R845 HydrophobicContact CB-CG 4.02Å; Q843-R845 PolarHBondContact O-N 2.74Å; R845-P848 WeakPolarHBondContact O-CD 3.39Å; R845-M878 HydrophobicContact CB-CE 3.96Å; R845-M878 HydrophobicContact CB-SD 4.47Å |
| 846 | D | 94.3 | Very high | 94.1 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -96.6 | -5.1 | 177.4 | -45.6 | -35.3 | 0 | 0 | 0 | 111.9 | L842 Q843 L844 | L842-D846 HydrophobicContact CD1-CB 3.54Å; L842-D846 HydrophobicContact CG-CB 4.35Å; Q843-D846 WeakPolarHBondContact CA-OD2 3.18Å; Q843-D846 WeakPolarHBondContact CB-OD2 3.46Å; Q843-D846 PolarHBondContact N-OD2 2.81Å; Q843-D846 WeakPolarHBondContact O-CB 3.43Å; Q843-D846 PolarHBondContact O-N 2.89Å; Q843-D846 VanDerWaalsContact O-N 3.09Å; L844-D846 PolarHBondContact O-N 2.89Å |
| 847 | L | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -99.2 | 4.4 | 178 | -61.7 | -171.3 | 0 | 0 | 0 | 118.2 | L830 L842 L844 G849 H850 M851 F854 F863 I864 | L830-L847 HydrophobicContact CD2-CD2 3.97Å; L830-L847 HydrophobicContact CG-CD2 4.48Å; L842-L847 HydrophobicContact CD2-CD2 3.82Å; L842-L847 HydrophobicContact CG-CD2 4.36Å; L844-L847 WeakPolarHBondContact O-CB 3.24Å; L844-L847 PolarHBondContact O-N 3.34Å; L847-G849 PolarHBondContact O-N 2.91Å; L847-H850 WeakPolarHBondContact O-CA 3.26Å; L847-H850 WeakPolarHBondContact O-CB 3.47Å; L847-H850 PolarHBondContact O-N 3.14Å; L847-M851 HydrophobicContact CB-CE 3.76Å; L847-M851 HydrophobicContact CB-SD 3.65Å; L847-M851 HydrophobicContact CD1-SD 4.24Å; L847-F854 HydrophobicContact CD1-CB 4.38Å; L847-F854 HydrophobicContact CD1-CD1 3.7Å; L847-F854 HydrophobicContact CD1-CE1 4.13Å; L847-F854 HydrophobicContact CD1-CG 4.01Å; L847-F854 HydrophobicContact CD2-CD1 3.85Å; L847-F854 HydrophobicContact CD2-CD2 4.1Å; L847-F854 HydrophobicContact CD2-CE1 3.49Å; L847-F854 VanDerWaalsContact CD2-CE1 3.49Å; L847-F854 HydrophobicContact CD2-CE2 3.74Å; L847-F854 HydrophobicContact CD2-CG 4.16Å; L847-F854 HydrophobicContact CD2-CZ 3.42Å; L847-F854 VanDerWaalsContact CD2-CZ 3.42Å; L847-F854 HydrophobicContact CG-CD1 4.46Å; L847-F854 HydrophobicContact CG-CE1 4.48Å; L847-F863 HydrophobicContact CD1-CD1 3.97Å; L847-F863 HydrophobicContact CD1-CE1 3.64Å; L847-F863 HydrophobicContact CG-CE1 4.32Å; L847-I864 HydrophobicContact CD1-CD1 4.35Å; L847-I864 HydrophobicContact CD1-CG1 4.12Å | ||
| 848 | P | 94.4 | Very high | 94.6 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 133.5 | 178.5 | -31.2 | 36.2 | 0 | 0 | 0 | 114.5 | R845 H850 M878 E882 | R845-P848 WeakPolarHBondContact O-CD 3.39Å; P848-H850 PolarHBondContact O-N 2.98Å; P848-M878 HydrophobicContact CG-SD 3.98Å; P848-E882 VanDerWaalsContact CA-OE1 3.26Å; P848-E882 WeakPolarHBondContact CA-OE1 3.43Å |
| 849 | G | 94 | Very high | 94.8 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 67% | 0.67 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -7.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L847 E882 | L847-G849 PolarHBondContact O-N 2.91Å; G849-E882 WeakPolarHBondContact CA-OE2 3.46Å; G849-E882 VanDerWaalsContact N-CD 3.25Å; G849-E882 PolarHBondContact N-OE1 2.98Å; G849-E882 PolarHBondContact N-OE2 3.13Å; G849-E882 VanDerWaalsContact N-OE2 3.1Å |
| 850 | H | 96.3 | Very high | 95.2 | Very high | 56 Ų | 56 | 51 Ų | 51 | 26% | 0.259 | 27% | 0.272 | S | S | . | . | trans | -119.3 | 3.7 | -177.8 | -68 | -79.3 | 0 | 0 | 0 | 113.5 | S828 L830 L847 P848 V852 E853 F854 E882 | S828-H850 WeakPolarHBondContact CB-CE1 3.25Å; S828-H850 PolarHBondContact OG-CE1 3.45Å; S828-H850 PolarHBondContact OG-ND1 3.43Å; L830-H850 HydrophobicContact CD2-CB 4.29Å; L847-H850 WeakPolarHBondContact O-CA 3.26Å; L847-H850 WeakPolarHBondContact O-CB 3.47Å; L847-H850 PolarHBondContact O-N 3.14Å; P848-H850 PolarHBondContact O-N 2.98Å; H850-V852 PolarHBondContact O-N 2.87Å; H850-E853 IonicContact CE1-OE2 3.74Å; H850-E853 IonicContact CG-OE2 3.8Å; H850-E853 IonicContact ND1-OE2 2.69Å; H850-E853 PolarHBondContact ND1-OE2 3Å; H850-E853 PolarHBondContact O-N 3.33Å; H850-F854 HydrophobicContact CB-CD2 3.94Å; H850-F854 HydrophobicContact CB-CE2 4.13Å; H850-F854 WeakPolarHBondContact O-CD2 3.41Å; H850-F854 PolarHBondContact O-N 3.26Å; H850-E882 PolarHBondContact N-OE2 3.26Å | ||
| 851 | M | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | -173.4 | -63 | -68.1 | -172.4 | 0 | 0 | 112.9 | L844 L847 S855 M878 V879 E882 I883 | L844-M851 WeakPolarHBondContact O-CE 3.26Å; L847-M851 HydrophobicContact CB-CE 3.76Å; L847-M851 HydrophobicContact CB-SD 3.65Å; L847-M851 HydrophobicContact CD1-SD 4.24Å; M851-S855 VanDerWaalsContact O-CB 3.28Å; M851-S855 WeakPolarHBondContact O-CB 3.44Å; M851-S855 PolarHBondContact O-N 3.25Å; M851-S855 PolarHBondContact O-OG 3.38Å; M851-M878 HydrophobicContact CE-CG 4.27Å; M851-M878 HydrophobicContact CE-SD 3.95Å; M851-V879 HydrophobicContact CE-CB 4.4Å; M851-V879 HydrophobicContact CE-CG2 3.63Å; M851-V879 HydrophobicContact SD-CB 4.26Å; M851-V879 HydrophobicContact SD-CG1 4.19Å; M851-V879 HydrophobicContact SD-CG2 3.74Å; M851-E882 HydrophobicContact CB-CB 3.87Å; M851-E882 HydrophobicContact CB-CG 4.48Å; M851-E882 VanDerWaalsContact CB-OE2 3.24Å; M851-E882 WeakPolarHBondContact CB-OE2 3.43Å; M851-E882 HydrophobicContact CG-CB 4.13Å; M851-E882 VanDerWaalsContact CG-CD 3.45Å; M851-E882 HydrophobicContact CG-CG 4.3Å; M851-E882 WeakPolarHBondContact CG-OE2 3.44Å; M851-E882 PolarHBondContact N-OE2 2.67Å; M851-E882 VanDerWaalsContact N-OE2 3.13Å; M851-I883 HydrophobicContact CB-CG2 4.15Å |
| 852 | V | 97.3 | Very high | 96.2 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 21% | 0.212 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | H850 S855 Q856 I883 A886 L890 | H850-V852 PolarHBondContact O-N 2.87Å; V852-S855 PolarHBondContact O-N 2.88Å; V852-Q856 WeakPolarHBondContact O-CG 3.26Å; V852-Q856 PolarHBondContact O-N 2.76Å; V852-Q856 VanDerWaalsContact O-N 3.13Å; V852-I883 HydrophobicContact CG2-CG2 4.41Å; V852-A886 HydrophobicContact CB-CB 4.44Å; V852-A886 HydrophobicContact CG1-CB 3.68Å; V852-A886 HydrophobicContact CG2-CB 3.8Å; V852-L890 HydrophobicContact CG1-CD2 4.32Å |
| 853 | E | 97.3 | Very high | 96.4 | Very high | 47 Ų | 47 | 47 Ų | 47 | 22% | 0.22 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.8 | -50 | 178 | -169.6 | -155.7 | 166 | 0 | 0 | 111.3 | R827 S828 L831 H850 S855 Q856 D857 | R827-E853 WeakPolarHBondContact CA-OE1 3.44Å; S828-E853 WeakPolarHBondContact CB-OE1 3.3Å; S828-E853 WeakPolarHBondContact CB-OE2 3.31Å; S828-E853 PolarHBondContact N-OE1 3.43Å; S828-E853 VanDerWaalsContact OG-CD 3.25Å; S828-E853 PolarHBondContact OG-OE1 2.93Å; S828-E853 VanDerWaalsContact OG-OE1 3.04Å; S828-E853 PolarHBondContact OG-OE2 3.4Å; L831-E853 WeakPolarHBondContact CB-OE1 3.28Å; L831-E853 HydrophobicContact CD2-CG 4.03Å; L831-E853 VanDerWaalsContact CD2-OE1 3.31Å; L831-E853 WeakPolarHBondContact CD2-OE1 3.45Å; H850-E853 IonicContact CE1-OE2 3.74Å; H850-E853 IonicContact CG-OE2 3.8Å; H850-E853 IonicContact ND1-OE2 2.69Å; H850-E853 PolarHBondContact ND1-OE2 3Å; H850-E853 PolarHBondContact O-N 3.33Å; E853-S855 VanDerWaalsContact C-N 3.29Å; E853-S855 PolarHBondContact O-N 3.49Å; E853-Q856 PolarHBondContact O-N 2.97Å; E853-Q856 VanDerWaalsContact O-N 3.11Å; E853-D857 PolarHBondContact O-N 3.04Å |
| 854 | F | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -39.5 | 175.6 | -89.5 | -118 | 0 | 0 | 0 | 111.1 | L830 L831 F834 L842 L847 H850 Q856 D857 G860 S861 I864 | L830-F854 HydrophobicContact CD2-CE2 4.35Å; L830-F854 HydrophobicContact CG-CE2 4.13Å; L830-F854 HydrophobicContact CG-CZ 4.08Å; L831-F854 HydrophobicContact CB-CD2 4.13Å; L831-F854 HydrophobicContact CB-CE2 3.58Å; L831-F854 HydrophobicContact CB-CZ 4.04Å; L831-F854 HydrophobicContact CD1-CD1 4.08Å; L831-F854 HydrophobicContact CD1-CD2 3.97Å; L831-F854 HydrophobicContact CD1-CE1 3.98Å; L831-F854 HydrophobicContact CD1-CE2 3.89Å; L831-F854 HydrophobicContact CD1-CG 4.07Å; L831-F854 HydrophobicContact CD1-CZ 3.89Å; L831-F854 HydrophobicContact CG-CD2 4.49Å; L831-F854 HydrophobicContact CG-CE2 4.29Å; F834-F854 HydrophobicContact CB-CE1 4.13Å; F834-F854 HydrophobicContact CB-CZ 4.03Å; F834-F854 HydrophobicContact CD1-CD1 4.38Å; F834-F854 AromaticContact CD1-CE1 3.58Å; F834-F854 HydrophobicContact CD1-CE1 3.58Å; F834-F854 HydrophobicContact CD1-CZ 4.26Å; F834-F854 HydrophobicContact CE1-CE1 4.19Å; F834-F854 AromaticContact CG-CE1 3.86Å; F834-F854 HydrophobicContact CG-CE1 3.86Å; F834-F854 HydrophobicContact CG-CZ 4.28Å; L842-F854 HydrophobicContact CD2-CE1 4.11Å; L842-F854 HydrophobicContact CD2-CZ 4.39Å; L847-F854 HydrophobicContact CD1-CB 4.38Å; L847-F854 HydrophobicContact CD1-CD1 3.7Å; L847-F854 HydrophobicContact CD1-CE1 4.13Å; L847-F854 HydrophobicContact CD1-CG 4.01Å; L847-F854 HydrophobicContact CD2-CD1 3.85Å; L847-F854 HydrophobicContact CD2-CD2 4.1Å; L847-F854 HydrophobicContact CD2-CE1 3.49Å; L847-F854 VanDerWaalsContact CD2-CE1 3.49Å; L847-F854 HydrophobicContact CD2-CE2 3.74Å; L847-F854 HydrophobicContact CD2-CG 4.16Å; L847-F854 HydrophobicContact CD2-CZ 3.42Å; L847-F854 VanDerWaalsContact CD2-CZ 3.42Å; L847-F854 HydrophobicContact CG-CD1 4.46Å; L847-F854 HydrophobicContact CG-CE1 4.48Å; H850-F854 HydrophobicContact CB-CD2 3.94Å; H850-F854 HydrophobicContact CB-CE2 4.13Å; H850-F854 WeakPolarHBondContact O-CD2 3.41Å; H850-F854 PolarHBondContact O-N 3.26Å; F854-Q856 PolarHBondContact O-N 3.08Å; F854-D857 PolarHBondContact O-N 3.2Å; F854-G860 CarbonylContact O-C 3.36Å; F854-G860 VanDerWaalsContact O-CA 3.28Å; F854-G860 WeakPolarHBondContact O-CA 3.37Å; F854-S861 PolarHBondContact O-N 3.31Å; F854-I864 HydrophobicContact CB-CD1 3.63Å; F854-I864 HydrophobicContact CB-CG1 4.49Å |
| 855 | S | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -25 | 176.7 | -60.9 | 0 | 0 | 0 | 0 | 113.4 | M851 V852 E853 S861 F895 G896 | M851-S855 VanDerWaalsContact O-CB 3.28Å; M851-S855 WeakPolarHBondContact O-CB 3.44Å; M851-S855 PolarHBondContact O-N 3.25Å; M851-S855 PolarHBondContact O-OG 3.38Å; V852-S855 PolarHBondContact O-N 2.88Å; E853-S855 VanDerWaalsContact C-N 3.29Å; E853-S855 PolarHBondContact O-N 3.49Å; S855-S861 WeakPolarHBondContact O-CB 3.47Å; S855-F895 CarbonylContact O-C 3.59Å; S855-F895 VanDerWaalsContact O-C 3.24Å; S855-G896 WeakPolarHBondContact O-CA 3.41Å; S855-G896 PolarHBondContact O-N 3.09Å |
| 856 | Q | 97.8 | Very high | 96.8 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 4.3 | 176 | -67.2 | 174.3 | 5.8 | 0 | 0 | 113.3 | V852 E853 F854 Q889 L890 F895 | V852-Q856 WeakPolarHBondContact O-CG 3.26Å; V852-Q856 PolarHBondContact O-N 2.76Å; V852-Q856 VanDerWaalsContact O-N 3.13Å; E853-Q856 PolarHBondContact O-N 2.97Å; E853-Q856 VanDerWaalsContact O-N 3.11Å; F854-Q856 PolarHBondContact O-N 3.08Å; Q856-Q889 VanDerWaalsContact NE2-CD 3.34Å; Q856-Q889 VanDerWaalsContact NE2-NE2 3.11Å; Q856-L890 HydrophobicContact CG-CD2 3.62Å; Q856-F895 WeakPolarHBondContact O-CD2 3.46Å |
| 857 | D | 97.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -108.6 | 142.1 | 172.7 | -169.9 | -85 | 0 | 0 | 0 | 111.6 | R827 L831 R835 E853 F854 H859 G860 S861 | R827-D857 IonicContact CZ-OD2 3.18Å; R827-D857 IonicContact NE-OD2 2.9Å; R827-D857 PolarHBondContact NE-OD2 3.17Å; R827-D857 IonicContact NH2-OD2 3.63Å; L831-D857 HydrophobicContact CD1-CB 3.91Å; L831-D857 HydrophobicContact CD2-CB 3.68Å; L831-D857 HydrophobicContact CG-CB 4.38Å; R835-D857 IonicContact CZ-OD2 3.64Å; R835-D857 IonicContact NE-OD2 3.71Å; R835-D857 VanDerWaalsContact NH1-CG 3.34Å; R835-D857 IonicContact NH1-OD1 2.77Å; R835-D857 PolarHBondContact NH1-OD1 3.29Å; R835-D857 VanDerWaalsContact NH1-OD1 3.14Å; R835-D857 IonicContact NH1-OD2 2.74Å; R835-D857 PolarHBondContact NH1-OD2 3.04Å; E853-D857 PolarHBondContact O-N 3.04Å; F854-D857 PolarHBondContact O-N 3.2Å; D857-H859 VanDerWaalsContact C-N 3.29Å; D857-H859 PolarHBondContact O-N 3.15Å; D857-H859 IonicContact OD1-CD2 2.69Å; D857-H859 PolarHBondContact OD1-N 3.31Å; D857-G860 PolarHBondContact O-N 3.31Å; D857-G860 PolarHBondContact OD1-N 3.08Å; D857-S861 WeakPolarHBondContact O-CB 3.43Å; D857-S861 PolarHBondContact O-N 3Å |
| 858 | Q | 97.6 | Very high | 96.9 | Very high | 113 Ų | 113 | 42.8 Ų | 42.8 | 53% | 0.528 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57 | -39.4 | -179.2 | -170.1 | 178.3 | 19.4 | 0 | 0 | 113.2 | R862 F895 | Q858-R862 WeakPolarHBondContact O-CG 3.45Å; Q858-F895 HydrophobicContact CB-CD1 4.19Å; Q858-F895 HydrophobicContact CB-CD2 4.33Å; Q858-F895 HydrophobicContact CB-CE1 3.8Å; Q858-F895 HydrophobicContact CB-CE2 3.95Å; Q858-F895 HydrophobicContact CB-CG 4.45Å; Q858-F895 HydrophobicContact CB-CZ 3.67Å; Q858-F895 HydrophobicContact CG-CD1 4.26Å; Q858-F895 HydrophobicContact CG-CE1 3.72Å; Q858-F895 HydrophobicContact CG-CZ 3.99Å |
| 859 | H | 96.4 | Very high | 96.8 | Very high | 91 Ų | 91 | 43.4 Ų | 43.4 | 42% | 0.421 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -86.5 | -40.5 | 179.5 | -56.2 | -82 | 0 | 0 | 0 | 111.1 | F834 R835 D857 S861 R862 F863 | F834-H859 HydrophobicContact CE1-CB 4.08Å; R835-H859 HydrophobicContact CG-CB 4.38Å; R835-H859 PolarHBondContact NH1-CD2 2.85Å; D857-H859 VanDerWaalsContact C-N 3.29Å; D857-H859 PolarHBondContact O-N 3.15Å; D857-H859 IonicContact OD1-CD2 2.69Å; D857-H859 PolarHBondContact OD1-N 3.31Å; H859-S861 PolarHBondContact O-N 3.18Å; H859-R862 PolarHBondContact O-N 2.81Å; H859-F863 WeakPolarHBondContact O-CB 3.39Å; H859-F863 PolarHBondContact O-N 3.47Å |
| 860 | G | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F854 D857 F863 I864 | F854-G860 CarbonylContact O-C 3.36Å; F854-G860 VanDerWaalsContact O-CA 3.28Å; F854-G860 WeakPolarHBondContact O-CA 3.37Å; D857-G860 PolarHBondContact O-N 3.31Å; D857-G860 PolarHBondContact OD1-N 3.08Å; G860-F863 WeakPolarHBondContact O-CB 3.34Å; G860-F863 PolarHBondContact O-N 3.18Å; G860-I864 WeakPolarHBondContact O-CG1 3.42Å; G860-I864 PolarHBondContact O-N 3.3Å |
| 861 | S | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | F854 S855 D857 H859 F863 I864 Q865 F895 V899 | F854-S861 PolarHBondContact O-N 3.31Å; S855-S861 WeakPolarHBondContact O-CB 3.47Å; D857-S861 WeakPolarHBondContact O-CB 3.43Å; D857-S861 PolarHBondContact O-N 3Å; H859-S861 PolarHBondContact O-N 3.18Å; S861-F863 VanDerWaalsContact C-N 3.33Å; S861-F863 PolarHBondContact O-N 2.99Å; S861-I864 PolarHBondContact O-N 3.37Å; S861-Q865 VanDerWaalsContact C-NE2 3.34Å; S861-Q865 WeakPolarHBondContact O-CB 3.36Å; S861-Q865 WeakPolarHBondContact O-CG 3.48Å; S861-Q865 PolarHBondContact O-N 3.03Å; S861-Q865 PolarHBondContact O-NE2 3.04Å; S861-Q865 PolarHBondContact OG-NE2 3.31Å; S861-F895 PolarHBondContact OG-O 3.1Å; S861-V899 WeakPolarHBondContact OG-CG2 3.43Å |
| 862 | R | 97.5 | Very high | 96.6 | Very high | 130 Ų | 130 | 51.5 Ų | 51.5 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 175.1 | -75.4 | -63.4 | -168.4 | -154 | 4.1 | 112.4 | Q858 H859 Q866 | Q858-R862 WeakPolarHBondContact O-CG 3.45Å; H859-R862 PolarHBondContact O-N 2.81Å; R862-Q866 WeakPolarHBondContact O-CB 3.44Å; R862-Q866 VanDerWaalsContact O-CG 3.28Å; R862-Q866 WeakPolarHBondContact O-CG 3.5Å; R862-Q866 PolarHBondContact O-N 3.4Å; R862-Q866 VanDerWaalsContact O-N 3.07Å |
| 863 | F | 97.3 | Very high | 96.5 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 9% | 0.088 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -48.9 | 172.8 | 171.6 | -88.3 | 0 | 0 | 0 | 111.8 | F834 L842 L844 L847 H859 G860 S861 Q865 Q866 K867 | F834-F863 HydrophobicContact CE1-CB 4.18Å; F834-F863 AromaticContact CE2-CD2 3.79Å; F834-F863 HydrophobicContact CE2-CD2 3.79Å; F834-F863 HydrophobicContact CE2-CE2 4.2Å; F834-F863 HydrophobicContact CE2-CG 4.29Å; F834-F863 HydrophobicContact CZ-CB 3.73Å; F834-F863 AromaticContact CZ-CD2 3.74Å; F834-F863 HydrophobicContact CZ-CD2 3.74Å; F834-F863 AromaticContact CZ-CG 3.88Å; F834-F863 HydrophobicContact CZ-CG 3.88Å; L842-F863 HydrophobicContact CB-CE2 3.94Å; L842-F863 HydrophobicContact CB-CZ 3.84Å; L842-F863 HydrophobicContact CD2-CE1 4.48Å; L842-F863 HydrophobicContact CD2-CZ 4.14Å; L842-F863 HydrophobicContact CG-CE2 4.43Å; L842-F863 HydrophobicContact CG-CZ 3.91Å; L842-F863 WeakPolarHBondContact O-CE2 3.42Å; L842-F863 VanDerWaalsContact O-CZ 3.29Å; L842-F863 WeakPolarHBondContact O-CZ 3.32Å; L844-F863 HydrophobicContact CD2-CE1 4.37Å; L847-F863 HydrophobicContact CD1-CD1 3.97Å; L847-F863 HydrophobicContact CD1-CE1 3.64Å; L847-F863 HydrophobicContact CG-CE1 4.32Å; H859-F863 WeakPolarHBondContact O-CB 3.39Å; H859-F863 PolarHBondContact O-N 3.47Å; G860-F863 WeakPolarHBondContact O-CB 3.34Å; G860-F863 PolarHBondContact O-N 3.18Å; S861-F863 VanDerWaalsContact C-N 3.33Å; S861-F863 PolarHBondContact O-N 2.99Å; F863-Q865 PolarHBondContact O-N 3.1Å; F863-Q866 PolarHBondContact O-N 3.09Å; F863-K867 HydrophobicContact CD1-CG 4.28Å; F863-K867 HydrophobicContact CD2-CG 4.44Å; F863-K867 HydrophobicContact CE1-CG 4Å; F863-K867 HydrophobicContact CE2-CD 4.42Å; F863-K867 HydrophobicContact CE2-CG 4.2Å; F863-K867 HydrophobicContact CG-CG 4.49Å; F863-K867 HydrophobicContact CZ-CD 4.32Å; F863-K867 VanDerWaalsContact CZ-CE 3.42Å; F863-K867 HydrophobicContact CZ-CG 3.97Å; F863-K867 WeakPolarHBondContact O-CB 3.43Å; F863-K867 VanDerWaalsContact O-CG 3.26Å; F863-K867 WeakPolarHBondContact O-CG 3.26Å; F863-K867 PolarHBondContact O-N 2.77Å |
| 864 | I | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 178 | -70.6 | 173.4 | 0 | 0 | 0 | 110.7 | L844 L847 F854 G860 S861 Q866 K867 L868 V879 V899 | L844-I864 HydrophobicContact CD2-CG1 4.23Å; L847-I864 HydrophobicContact CD1-CD1 4.35Å; L847-I864 HydrophobicContact CD1-CG1 4.12Å; F854-I864 HydrophobicContact CB-CD1 3.63Å; F854-I864 HydrophobicContact CB-CG1 4.49Å; G860-I864 WeakPolarHBondContact O-CG1 3.42Å; G860-I864 PolarHBondContact O-N 3.3Å; S861-I864 PolarHBondContact O-N 3.37Å; I864-Q866 PolarHBondContact O-N 3.06Å; I864-K867 PolarHBondContact O-N 3.23Å; I864-L868 HydrophobicContact CG2-CD1 3.64Å; I864-L868 HydrophobicContact CG2-CG 4.04Å; I864-L868 WeakPolarHBondContact O-CB 3.42Å; I864-L868 VanDerWaalsContact O-CG 3.28Å; I864-L868 WeakPolarHBondContact O-CG 3.32Å; I864-L868 PolarHBondContact O-N 2.81Å; I864-V879 HydrophobicContact CG2-CG1 4.3Å; I864-V899 HydrophobicContact CB-CG2 4.38Å; I864-V899 HydrophobicContact CG2-CG1 3.77Å; I864-V899 HydrophobicContact CG2-CG2 4.02Å |
| 865 | Q | 97.8 | Very high | 96.3 | Very high | 13 Ų | 13 | 58 Ų | 58 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.7 | -52.2 | 176.4 | -69.7 | 161.3 | 47.1 | 0 | 0 | 112 | S861 F863 K867 L868 Y898 V899 K902 | S861-Q865 VanDerWaalsContact C-NE2 3.34Å; S861-Q865 WeakPolarHBondContact O-CB 3.36Å; S861-Q865 WeakPolarHBondContact O-CG 3.48Å; S861-Q865 PolarHBondContact O-N 3.03Å; S861-Q865 PolarHBondContact O-NE2 3.04Å; S861-Q865 PolarHBondContact OG-NE2 3.31Å; F863-Q865 PolarHBondContact O-N 3.1Å; Q865-K867 VanDerWaalsContact C-N 3.32Å; Q865-K867 PolarHBondContact O-N 2.9Å; Q865-L868 PolarHBondContact O-N 2.84Å; Q865-Y898 VanDerWaalsContact NE2-CB 3.31Å; Q865-V899 HydrophobicContact CG-CG2 4.48Å; Q865-K902 HydrophobicContact CB-CG 4.32Å; Q865-K902 HydrophobicContact CG-CG 4.15Å |
| 866 | Q | 96 | Very high | 96.2 | Very high | 131 Ų | 131 | 60.4 Ų | 60.4 | 61% | 0.612 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65 | -33.2 | -179.1 | -72.8 | 172.9 | -7.8 | 0 | 0 | 113.1 | R862 F863 I864 | R862-Q866 WeakPolarHBondContact O-CB 3.44Å; R862-Q866 VanDerWaalsContact O-CG 3.28Å; R862-Q866 WeakPolarHBondContact O-CG 3.5Å; R862-Q866 PolarHBondContact O-N 3.4Å; R862-Q866 VanDerWaalsContact O-N 3.07Å; F863-Q866 PolarHBondContact O-N 3.09Å; I864-Q866 PolarHBondContact O-N 3.06Å |
| 867 | K | 95.3 | Very high | 96.1 | Very high | 54 Ų | 54 | 62.2 Ų | 62.2 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.3 | -43.5 | 176.9 | -68.1 | -72.2 | -170.6 | 173 | 0 | 111.8 | L842 L844 F863 I864 Q865 E869 R870 A871 | L842-K867 WeakPolarHBondContact O-CE 3.48Å; L842-K867 PolarHBondContact O-NZ 3.07Å; L844-K867 HydrophobicContact CD1-CB 3.73Å; L844-K867 HydrophobicContact CD2-CB 3.8Å; L844-K867 HydrophobicContact CD2-CG 4.31Å; L844-K867 HydrophobicContact CG-CB 3.63Å; L844-K867 HydrophobicContact CG-CG 4.21Å; F863-K867 HydrophobicContact CD1-CG 4.28Å; F863-K867 HydrophobicContact CD2-CG 4.44Å; F863-K867 HydrophobicContact CE1-CG 4Å; F863-K867 HydrophobicContact CE2-CD 4.42Å; F863-K867 HydrophobicContact CE2-CG 4.2Å; F863-K867 HydrophobicContact CG-CG 4.49Å; F863-K867 HydrophobicContact CZ-CD 4.32Å; F863-K867 VanDerWaalsContact CZ-CE 3.42Å; F863-K867 HydrophobicContact CZ-CG 3.97Å; F863-K867 WeakPolarHBondContact O-CB 3.43Å; F863-K867 VanDerWaalsContact O-CG 3.26Å; F863-K867 WeakPolarHBondContact O-CG 3.26Å; F863-K867 PolarHBondContact O-N 2.77Å; I864-K867 PolarHBondContact O-N 3.23Å; Q865-K867 VanDerWaalsContact C-N 3.32Å; Q865-K867 PolarHBondContact O-N 2.9Å; K867-E869 PolarHBondContact O-N 3.19Å; K867-R870 CarbonylContact O-C 3.59Å; K867-R870 PolarHBondContact O-N 3.29Å; K867-A871 WeakPolarHBondContact O-CB 3.29Å; K867-A871 PolarHBondContact O-N 3.39Å |
| 868 | L | 95.8 | Very high | 96 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.1 | -35.9 | -176.1 | -77.9 | 171.8 | 0 | 0 | 0 | 113.1 | L844 I864 Q865 R870 A871 R876 V879 V899 K902 F903 | L844-L868 HydrophobicContact CD1-CD2 4.39Å; I864-L868 HydrophobicContact CG2-CD1 3.64Å; I864-L868 HydrophobicContact CG2-CG 4.04Å; I864-L868 WeakPolarHBondContact O-CB 3.42Å; I864-L868 VanDerWaalsContact O-CG 3.28Å; I864-L868 WeakPolarHBondContact O-CG 3.32Å; I864-L868 PolarHBondContact O-N 2.81Å; Q865-L868 PolarHBondContact O-N 2.84Å; L868-R870 VanDerWaalsContact C-N 3.26Å; L868-R870 PolarHBondContact O-N 3.35Å; L868-A871 PolarHBondContact O-N 3.21Å; L868-R876 HydrophobicContact CD2-CG 4.03Å; L868-R876 PolarHBondContact O-NE 3.44Å; L868-R876 PolarHBondContact O-NH2 3.37Å; L868-V879 HydrophobicContact CD2-CB 4.34Å; L868-V879 HydrophobicContact CD2-CG1 4.35Å; L868-V879 HydrophobicContact CD2-CG2 4.3Å; L868-V899 HydrophobicContact CD1-CG1 4.2Å; L868-K902 HydrophobicContact CD1-CB 4.18Å; L868-F903 HydrophobicContact CD1-CD2 4.03Å; L868-F903 HydrophobicContact CD1-CE2 3.56Å; L868-F903 HydrophobicContact CD1-CZ 4.21Å; L868-F903 HydrophobicContact CD2-CE1 4.37Å; L868-F903 HydrophobicContact CD2-CE2 3.81Å; L868-F903 HydrophobicContact CD2-CZ 3.57Å; L868-F903 HydrophobicContact CG-CE2 4.37Å |
| 869 | E | 93.2 | Very high | 95.9 | Very high | 82 Ų | 82 | 59.9 Ų | 59.9 | 38% | 0.383 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -38.6 | 176.2 | -70.2 | 176.7 | 176.1 | 0 | 0 | 112.6 | K867 R876 K902 F906 | K867-E869 PolarHBondContact O-N 3.19Å; E869-R876 PolarHBondContact O-NH2 3.03Å; E869-K902 HydrophobicContact CG-CD 4.48Å; E869-K902 WeakPolarHBondContact OE1-CE 3.42Å; E869-K902 IonicContact OE1-NZ 3.71Å; E869-K902 PolarHBondContact OE1-NZ 3.37Å; E869-F906 HydrophobicContact CG-CD2 4.16Å; E869-F906 HydrophobicContact CG-CE2 3.57Å; E869-F906 HydrophobicContact CG-CZ 4.04Å |
| 870 | R | 92.4 | Very high | 96 | Very high | 212 Ų | 212 | 56 Ų | 56 | 80% | 0.8 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -2.2 | -177.9 | -56.7 | -175.8 | -172.1 | -177.2 | 2.4 | 114.1 | K867 L868 | K867-R870 CarbonylContact O-C 3.59Å; K867-R870 PolarHBondContact O-N 3.29Å; L868-R870 VanDerWaalsContact C-N 3.26Å; L868-R870 PolarHBondContact O-N 3.35Å |
| 871 | A | 94.1 | Very high | 95.9 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | trans | -65.1 | 143.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L844 K867 L868 E875 R876 | L844-A871 HydrophobicContact CD1-CB 3.71Å; K867-A871 WeakPolarHBondContact O-CB 3.29Å; K867-A871 PolarHBondContact O-N 3.39Å; L868-A871 PolarHBondContact O-N 3.21Å; A871-E875 HydrophobicContact CB-CB 4.02Å; A871-R876 HydrophobicContact CB-CG 3.87Å; A871-R876 PolarHBondContact O-NE 3.15Å; A871-R876 PolarHBondContact O-NH2 3.21Å | ||
| 872 | T | 95.8 | Very high | 95.8 | Very high | 71 Ų | 71 | 60.6 Ų | 60.6 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | trans | -64.7 | 157.6 | 169.7 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | A874 E875 R876 | T872-A874 PolarHBondContact O-N 3.04Å; T872-A874 VanDerWaalsContact O-N 3.17Å; T872-E875 WeakPolarHBondContact CB-OE2 3.48Å; T872-E875 WeakPolarHBondContact CG2-OE2 3.25Å; T872-E875 PolarHBondContact N-OE2 2.93Å; T872-E875 PolarHBondContact O-N 2.87Å; T872-E875 VanDerWaalsContact O-N 3.08Å; T872-E875 WeakPolarHBondContact OG1-CG 3.44Å; T872-E875 PolarHBondContact OG1-N 2.9Å; T872-E875 PolarHBondContact OG1-OE2 3.05Å; T872-R876 PolarHBondContact O-N 3.28Å | ||
| 873 | P | 95.4 | Very high | 95.8 | Very high | 103 Ų | 103 | 54.4 Ų | 54.4 | 67% | 0.669 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -54.9 | -33.8 | 175.3 | -27.7 | 36 | 0 | 0 | 0 | 113.6 | R876 Q877 | P873-R876 PolarHBondContact O-N 3.34Å; P873-Q877 WeakPolarHBondContact O-CB 3.31Å; P873-Q877 PolarHBondContact O-N 3.19Å |
| 874 | A | 95.1 | Very high | 95.8 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.3 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T872 Q877 M878 | T872-A874 PolarHBondContact O-N 3.04Å; T872-A874 VanDerWaalsContact O-N 3.17Å; A874-Q877 PolarHBondContact O-N 3.4Å; A874-M878 PolarHBondContact O-N 3.03Å |
| 875 | E | 95.4 | Very high | 95.6 | Very high | 40 Ų | 40 | 62.5 Ų | 62.5 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 174 | -71.8 | 165.6 | 118.9 | 0 | 0 | 111.8 | L844 A871 T872 M878 V879 | L844-E875 HydrophobicContact CD1-CB 4.25Å; A871-E875 HydrophobicContact CB-CB 4.02Å; T872-E875 WeakPolarHBondContact CB-OE2 3.48Å; T872-E875 WeakPolarHBondContact CG2-OE2 3.25Å; T872-E875 PolarHBondContact N-OE2 2.93Å; T872-E875 PolarHBondContact O-N 2.87Å; T872-E875 VanDerWaalsContact O-N 3.08Å; T872-E875 WeakPolarHBondContact OG1-CG 3.44Å; T872-E875 PolarHBondContact OG1-N 2.9Å; T872-E875 PolarHBondContact OG1-OE2 3.05Å; E875-M878 WeakPolarHBondContact O-CB 3.5Å; E875-M878 PolarHBondContact O-N 2.87Å; E875-V879 WeakPolarHBondContact O-CG2 3.21Å; E875-V879 PolarHBondContact O-N 3.4Å; E875-V879 VanDerWaalsContact O-N 3.09Å |
| 876 | R | 96 | Very high | 95.5 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 19% | 0.192 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 172.6 | -67.9 | -174.2 | -174.8 | 145.6 | 10.6 | 111.1 | L868 E869 A871 T872 P873 M878 V879 F880 F903 F906 | L868-R876 HydrophobicContact CD2-CG 4.03Å; L868-R876 PolarHBondContact O-NE 3.44Å; L868-R876 PolarHBondContact O-NH2 3.37Å; E869-R876 PolarHBondContact O-NH2 3.03Å; A871-R876 HydrophobicContact CB-CG 3.87Å; A871-R876 PolarHBondContact O-NE 3.15Å; A871-R876 PolarHBondContact O-NH2 3.21Å; T872-R876 PolarHBondContact O-N 3.28Å; P873-R876 PolarHBondContact O-N 3.34Å; R876-M878 PolarHBondContact O-N 3.39Å; R876-V879 PolarHBondContact O-N 2.96Å; R876-F880 VanDerWaalsContact O-CB 3.25Å; R876-F880 WeakPolarHBondContact O-CB 3.36Å; R876-F880 PolarHBondContact O-N 3.39Å; R876-F903 HydrophobicContact CB-CE1 4.22Å; R876-F903 WeakPolarHBondContact O-CE1 3.28Å; R876-F903 WeakPolarHBondContact O-CZ 3.5Å; R876-F906 PolarHBondContact NH1-O 2.87Å |
| 877 | Q | 96.4 | Very high | 95.6 | Very high | 104 Ų | 104 | 56.5 Ų | 56.5 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 178.7 | -173.9 | 62.5 | 12.2 | 0 | 0 | 112.9 | P873 A874 F880 G881 | P873-Q877 WeakPolarHBondContact O-CB 3.31Å; P873-Q877 PolarHBondContact O-N 3.19Å; A874-Q877 PolarHBondContact O-N 3.4Å; Q877-F880 PolarHBondContact O-N 3.46Å; Q877-G881 PolarHBondContact O-N 3.09Å |
| 878 | M | 94.9 | Very high | 95.7 | Very high | 68 Ų | 68 | 57.7 Ų | 57.7 | 34% | 0.335 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.9 | -53.7 | 172.4 | 178.4 | -159.3 | -59.8 | 0 | 0 | 111.4 | R845 P848 M851 A874 E875 R876 F880 G881 | R845-M878 HydrophobicContact CB-CE 3.96Å; R845-M878 HydrophobicContact CB-SD 4.47Å; P848-M878 HydrophobicContact CG-SD 3.98Å; M851-M878 HydrophobicContact CE-CG 4.27Å; M851-M878 HydrophobicContact CE-SD 3.95Å; A874-M878 PolarHBondContact O-N 3.03Å; E875-M878 WeakPolarHBondContact O-CB 3.5Å; E875-M878 PolarHBondContact O-N 2.87Å; R876-M878 PolarHBondContact O-N 3.39Å; M878-F880 VanDerWaalsContact C-N 3.28Å; M878-F880 PolarHBondContact O-N 2.77Å; M878-G881 PolarHBondContact O-N 3.29Å |
| 879 | V | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 176.4 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | L844 M851 I864 L868 E875 R876 G881 E882 I883 F903 | L844-V879 HydrophobicContact CB-CG2 4.23Å; L844-V879 HydrophobicContact CD1-CG2 3.97Å; L844-V879 HydrophobicContact CD2-CG2 3.88Å; L844-V879 HydrophobicContact CG-CG2 4.24Å; M851-V879 HydrophobicContact CE-CB 4.4Å; M851-V879 HydrophobicContact CE-CG2 3.63Å; M851-V879 HydrophobicContact SD-CB 4.26Å; M851-V879 HydrophobicContact SD-CG1 4.19Å; M851-V879 HydrophobicContact SD-CG2 3.74Å; I864-V879 HydrophobicContact CG2-CG1 4.3Å; L868-V879 HydrophobicContact CD2-CB 4.34Å; L868-V879 HydrophobicContact CD2-CG1 4.35Å; L868-V879 HydrophobicContact CD2-CG2 4.3Å; E875-V879 WeakPolarHBondContact O-CG2 3.21Å; E875-V879 PolarHBondContact O-N 3.4Å; E875-V879 VanDerWaalsContact O-N 3.09Å; R876-V879 PolarHBondContact O-N 2.96Å; V879-G881 PolarHBondContact O-N 3.35Å; V879-E882 PolarHBondContact O-N 2.85Å; V879-I883 HydrophobicContact CG1-CD1 4.44Å; V879-I883 HydrophobicContact CG1-CG2 4.42Å; V879-I883 WeakPolarHBondContact O-CG1 3.17Å; V879-I883 PolarHBondContact O-N 3.39Å; V879-F903 HydrophobicContact CB-CE2 4.4Å; V879-F903 HydrophobicContact CB-CZ 3.99Å; V879-F903 HydrophobicContact CG1-CE2 3.79Å; V879-F903 HydrophobicContact CG1-CZ 3.9Å |
| 880 | F | 97.7 | Very high | 96.1 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | -178.3 | -166.5 | -105.8 | 0 | 0 | 0 | 113 | R876 Q877 M878 E882 I883 L884 F903 Q911 A914 L915 | R876-F880 VanDerWaalsContact O-CB 3.25Å; R876-F880 WeakPolarHBondContact O-CB 3.36Å; R876-F880 PolarHBondContact O-N 3.39Å; Q877-F880 PolarHBondContact O-N 3.46Å; M878-F880 VanDerWaalsContact C-N 3.28Å; M878-F880 PolarHBondContact O-N 2.77Å; F880-E882 VanDerWaalsContact C-N 3.28Å; F880-E882 PolarHBondContact O-N 3.41Å; F880-I883 PolarHBondContact O-N 3.09Å; F880-L884 HydrophobicContact CE1-CB 4.34Å; F880-L884 HydrophobicContact CE1-CD1 4.12Å; F880-L884 HydrophobicContact CE1-CD2 3.88Å; F880-L884 HydrophobicContact CE1-CG 4.34Å; F880-L884 HydrophobicContact CZ-CD1 3.86Å; F880-L884 HydrophobicContact CZ-CD2 4.46Å; F880-L884 VanDerWaalsContact O-CB 3.3Å; F880-L884 WeakPolarHBondContact O-CB 3.44Å; F880-L884 PolarHBondContact O-N 3.37Å; F880-F903 HydrophobicContact CB-CE1 3.78Å; F880-F903 HydrophobicContact CB-CZ 4.02Å; F880-F903 AromaticContact CD2-CD1 3.52Å; F880-F903 HydrophobicContact CD2-CD1 3.52Å; F880-F903 AromaticContact CD2-CE1 3.65Å; F880-F903 HydrophobicContact CD2-CE1 3.65Å; F880-F903 AromaticContact CD2-CG 3.98Å; F880-F903 HydrophobicContact CD2-CG 3.98Å; F880-F903 HydrophobicContact CD2-CZ 4.21Å; F880-F903 HydrophobicContact CE2-CD1 4.16Å; F880-F903 HydrophobicContact CE2-CG 4.42Å; F880-F903 HydrophobicContact CG-CD1 4.4Å; F880-F903 HydrophobicContact CG-CE1 4.14Å; F880-Q911 HydrophobicContact CD1-CB 4.44Å; F880-Q911 HydrophobicContact CD1-CG 3.81Å; F880-Q911 HydrophobicContact CD2-CB 4.1Å; F880-Q911 HydrophobicContact CD2-CG 4.04Å; F880-Q911 HydrophobicContact CE1-CB 4.11Å; F880-Q911 HydrophobicContact CE1-CG 3.87Å; F880-Q911 HydrophobicContact CE2-CB 3.74Å; F880-Q911 HydrophobicContact CE2-CG 4.1Å; F880-Q911 HydrophobicContact CG-CB 4.43Å; F880-Q911 HydrophobicContact CG-CG 3.89Å; F880-Q911 HydrophobicContact CZ-CB 3.75Å; F880-Q911 HydrophobicContact CZ-CG 4.02Å; F880-Q911 VanDerWaalsContact CZ-O 3.29Å; F880-Q911 WeakPolarHBondContact CZ-O 3.49Å; F880-A914 HydrophobicContact CE1-CB 4.12Å; F880-A914 HydrophobicContact CZ-CB 3.96Å; F880-L915 HydrophobicContact CE2-CD1 3.93Å; F880-L915 HydrophobicContact CE2-CD2 4.13Å; F880-L915 HydrophobicContact CE2-CG 3.74Å; F880-L915 HydrophobicContact CZ-CD2 4.49Å; F880-L915 HydrophobicContact CZ-CG 4.05Å |
| 881 | G | 95.8 | Very high | 96.4 | Very high | 46 Ų | 46 | 48.5 Ų | 48.5 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.2 | -35.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q877 M878 V879 | Q877-G881 PolarHBondContact O-N 3.09Å; M878-G881 PolarHBondContact O-N 3.29Å; V879-G881 PolarHBondContact O-N 3.35Å |
| 882 | E | 95.8 | Very high | 96.6 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -77.5 | -48.3 | 174.7 | -72.8 | -178.3 | -142.5 | 0 | 0 | 112.4 | P848 G849 H850 M851 V879 F880 L884 | P848-E882 VanDerWaalsContact CA-OE1 3.26Å; P848-E882 WeakPolarHBondContact CA-OE1 3.43Å; G849-E882 WeakPolarHBondContact CA-OE2 3.46Å; G849-E882 VanDerWaalsContact N-CD 3.25Å; G849-E882 PolarHBondContact N-OE1 2.98Å; G849-E882 PolarHBondContact N-OE2 3.13Å; G849-E882 VanDerWaalsContact N-OE2 3.1Å; H850-E882 PolarHBondContact N-OE2 3.26Å; M851-E882 HydrophobicContact CB-CB 3.87Å; M851-E882 HydrophobicContact CB-CG 4.48Å; M851-E882 VanDerWaalsContact CB-OE2 3.24Å; M851-E882 WeakPolarHBondContact CB-OE2 3.43Å; M851-E882 HydrophobicContact CG-CB 4.13Å; M851-E882 VanDerWaalsContact CG-CD 3.45Å; M851-E882 HydrophobicContact CG-CG 4.3Å; M851-E882 WeakPolarHBondContact CG-OE2 3.44Å; M851-E882 PolarHBondContact N-OE2 2.67Å; M851-E882 VanDerWaalsContact N-OE2 3.13Å; V879-E882 PolarHBondContact O-N 2.85Å; F880-E882 VanDerWaalsContact C-N 3.28Å; F880-E882 PolarHBondContact O-N 3.41Å; E882-L884 VanDerWaalsContact C-N 3.34Å; E882-L884 PolarHBondContact O-N 2.95Å |
| 883 | I | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73 | -22.8 | -173.6 | 70.2 | 174.6 | 0 | 0 | 0 | 113.6 | M851 V852 V879 F880 Q885 A886 A887 L890 V899 I900 F903 | M851-I883 HydrophobicContact CB-CG2 4.15Å; V852-I883 HydrophobicContact CG2-CG2 4.41Å; V879-I883 HydrophobicContact CG1-CD1 4.44Å; V879-I883 HydrophobicContact CG1-CG2 4.42Å; V879-I883 WeakPolarHBondContact O-CG1 3.17Å; V879-I883 PolarHBondContact O-N 3.39Å; F880-I883 PolarHBondContact O-N 3.09Å; I883-Q885 VanDerWaalsContact C-N 3.29Å; I883-Q885 PolarHBondContact O-N 3.49Å; I883-A886 CarbonylContact O-C 3.5Å; I883-A886 PolarHBondContact O-N 3Å; I883-A887 VanDerWaalsContact O-CA 3.27Å; I883-A887 WeakPolarHBondContact O-CA 3.32Å; I883-A887 PolarHBondContact O-N 3.06Å; I883-L890 HydrophobicContact CB-CD1 3.7Å; I883-L890 HydrophobicContact CG2-CD1 3.92Å; I883-V899 HydrophobicContact CD1-CG1 3.95Å; I883-I900 HydrophobicContact CD1-CD1 4.18Å; I883-F903 HydrophobicContact CD1-CD2 3.48Å; I883-F903 VanDerWaalsContact CD1-CD2 3.48Å; I883-F903 HydrophobicContact CD1-CE2 3.38Å; I883-F903 HydrophobicContact CD1-CG 4.42Å; I883-F903 HydrophobicContact CD1-CZ 4.26Å |
| 884 | L | 96.7 | Very high | 96.8 | Very high | 41 Ų | 41 | 45.8 Ų | 45.8 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -35.6 | -175.5 | 179.9 | 63.2 | 0 | 0 | 0 | 113.1 | F880 E882 A887 A914 L915 R918 | F880-L884 HydrophobicContact CE1-CB 4.34Å; F880-L884 HydrophobicContact CE1-CD1 4.12Å; F880-L884 HydrophobicContact CE1-CD2 3.88Å; F880-L884 HydrophobicContact CE1-CG 4.34Å; F880-L884 HydrophobicContact CZ-CD1 3.86Å; F880-L884 HydrophobicContact CZ-CD2 4.46Å; F880-L884 VanDerWaalsContact O-CB 3.3Å; F880-L884 WeakPolarHBondContact O-CB 3.44Å; F880-L884 PolarHBondContact O-N 3.37Å; E882-L884 VanDerWaalsContact C-N 3.34Å; E882-L884 PolarHBondContact O-N 2.95Å; L884-A887 VanDerWaalsContact O-CB 3.26Å; L884-A887 WeakPolarHBondContact O-CB 3.17Å; L884-A887 PolarHBondContact O-N 2.71Å; L884-A914 HydrophobicContact CD1-CB 4.19Å; L884-A914 HydrophobicContact CD2-CB 4.49Å; L884-L915 HydrophobicContact CD1-CD2 4.31Å; L884-R918 HydrophobicContact CD1-CG 3.79Å; L884-R918 PolarHBondContact O-NE 3.23Å |
| 885 | Q | 94.1 | Very high | 97 | Very high | 150 Ų | 150 | 45 Ų | 45 | 70% | 0.701 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -46.3 | 177.6 | -61.7 | -62.5 | -6.3 | 0 | 0 | 110.9 | I883 A887 R918 | I883-Q885 VanDerWaalsContact C-N 3.29Å; I883-Q885 PolarHBondContact O-N 3.49Å; Q885-A887 PolarHBondContact O-N 2.84Å; Q885-R918 PolarHBondContact O-NH2 3.39Å |
| 886 | A | 96.7 | Very high | 97.1 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 6.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V852 I883 Y888 Q889 L890 | V852-A886 HydrophobicContact CB-CB 4.44Å; V852-A886 HydrophobicContact CG1-CB 3.68Å; V852-A886 HydrophobicContact CG2-CB 3.8Å; I883-A886 CarbonylContact O-C 3.5Å; I883-A886 PolarHBondContact O-N 3Å; A886-Y888 PolarHBondContact O-N 3.27Å; A886-Q889 WeakPolarHBondContact O-CB 3.29Å; A886-Q889 PolarHBondContact O-N 2.84Å; A886-L890 HydrophobicContact CB-CD1 4.32Å; A886-L890 HydrophobicContact CB-CG 4.46Å; A886-L890 PolarHBondContact O-N 3.39Å |
| 887 | A | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.8 | -46.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I883 L884 Q885 Q889 L890 M891 I900 L915 R918 | I883-A887 VanDerWaalsContact O-CA 3.27Å; I883-A887 WeakPolarHBondContact O-CA 3.32Å; I883-A887 PolarHBondContact O-N 3.06Å; L884-A887 VanDerWaalsContact O-CB 3.26Å; L884-A887 WeakPolarHBondContact O-CB 3.17Å; L884-A887 PolarHBondContact O-N 2.71Å; Q885-A887 PolarHBondContact O-N 2.84Å; A887-Q889 PolarHBondContact O-N 3.37Å; A887-L890 CarbonylContact O-C 3.46Å; A887-L890 PolarHBondContact O-N 3.49Å; A887-M891 HydrophobicContact CB-CE 4.23Å; A887-M891 WeakPolarHBondContact O-CG 3.45Å; A887-M891 PolarHBondContact O-N 2.96Å; A887-I900 HydrophobicContact CB-CD1 4.32Å; A887-L915 HydrophobicContact CB-CD2 3.98Å; A887-R918 HydrophobicContact CB-CB 4.49Å; A887-R918 HydrophobicContact CB-CG 4.48Å |
| 888 | Y | 97.6 | Very high | 97.4 | Very high | 78 Ų | 78 | 40.1 Ų | 40.1 | 31% | 0.306 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 178.9 | -177.4 | -95.5 | 0 | 0 | 0 | 112.8 | A886 L890 M891 T892 H922 L926 | A886-Y888 PolarHBondContact O-N 3.27Å; Y888-L890 VanDerWaalsContact C-N 3.33Å; Y888-L890 PolarHBondContact O-N 3.3Å; Y888-M891 WeakPolarHBondContact O-CB 3.45Å; Y888-M891 PolarHBondContact O-N 3.09Å; Y888-T892 HydrophobicContact CE1-CG2 4.38Å; Y888-T892 PolarHBondContact O-N 3.36Å; Y888-T892 PolarHBondContact O-OG1 3.29Å; Y888-H922 HydrophobicContact CD2-CB 4.27Å; Y888-H922 AromaticContact CD2-CD2 3.86Å; Y888-H922 HydrophobicContact CE2-CB 3.79Å; Y888-L926 HydrophobicContact CD2-CD1 4.24Å; Y888-L926 HydrophobicContact CD2-CD2 4.12Å; Y888-L926 HydrophobicContact CD2-CG 4.38Å; Y888-L926 HydrophobicContact CE2-CD1 4.07Å; Y888-L926 HydrophobicContact CE2-CD2 3.68Å; Y888-L926 HydrophobicContact CE2-CG 3.78Å |
| 889 | Q | 97.8 | Very high | 97.5 | Very high | 105 Ų | 105 | 36.9 Ų | 36.9 | 49% | 0.491 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 175.5 | -177.3 | -176.2 | -2 | 0 | 0 | 110.5 | Q856 A886 A887 M891 T892 D893 | Q856-Q889 VanDerWaalsContact NE2-CD 3.34Å; Q856-Q889 VanDerWaalsContact NE2-NE2 3.11Å; A886-Q889 WeakPolarHBondContact O-CB 3.29Å; A886-Q889 PolarHBondContact O-N 2.84Å; A887-Q889 PolarHBondContact O-N 3.37Å; Q889-M891 PolarHBondContact O-N 2.75Å; Q889-T892 CarbonylContact O-C 3.6Å; Q889-T892 PolarHBondContact O-N 3.2Å; Q889-T892 PolarHBondContact O-OG1 3.48Å; Q889-D893 PolarHBondContact O-N 3.1Å; Q889-D893 VanDerWaalsContact O-N 3.08Å |
| 890 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.3 | -36.1 | 177.7 | -66.1 | 172.1 | 0 | 0 | 0 | 112.6 | V852 Q856 I883 A886 A887 Y888 T892 D893 G896 N897 I900 | V852-L890 HydrophobicContact CG1-CD2 4.32Å; Q856-L890 HydrophobicContact CG-CD2 3.62Å; I883-L890 HydrophobicContact CB-CD1 3.7Å; I883-L890 HydrophobicContact CG2-CD1 3.92Å; A886-L890 HydrophobicContact CB-CD1 4.32Å; A886-L890 HydrophobicContact CB-CG 4.46Å; A886-L890 PolarHBondContact O-N 3.39Å; A887-L890 CarbonylContact O-C 3.46Å; A887-L890 PolarHBondContact O-N 3.49Å; Y888-L890 VanDerWaalsContact C-N 3.33Å; Y888-L890 PolarHBondContact O-N 3.3Å; L890-T892 PolarHBondContact O-N 2.88Å; L890-D893 PolarHBondContact O-N 3.16Å; L890-D893 VanDerWaalsContact O-N 3.17Å; L890-G896 CarbonylContact O-C 3.25Å; L890-N897 VanDerWaalsContact O-CA 3.31Å; L890-N897 WeakPolarHBondContact O-CA 3.46Å; L890-N897 PolarHBondContact O-N 3.46Å; L890-I900 HydrophobicContact CB-CD1 4Å; L890-I900 HydrophobicContact CB-CG1 3.87Å; L890-I900 HydrophobicContact CD1-CD1 4.29Å |
| 891 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -36.1 | 174.3 | -68.4 | 169.9 | -176.9 | 0 | 0 | 112.3 | A887 Y888 Q889 I900 L915 I919 L926 Y931 G932 V935 | A887-M891 HydrophobicContact CB-CE 4.23Å; A887-M891 WeakPolarHBondContact O-CG 3.45Å; A887-M891 PolarHBondContact O-N 2.96Å; Y888-M891 WeakPolarHBondContact O-CB 3.45Å; Y888-M891 PolarHBondContact O-N 3.09Å; Q889-M891 PolarHBondContact O-N 2.75Å; M891-I900 HydrophobicContact CE-CG2 3.81Å; M891-I900 HydrophobicContact CG-CB 4.38Å; M891-I900 HydrophobicContact CG-CG1 4.12Å; M891-I900 HydrophobicContact CG-CG2 3.93Å; M891-L915 HydrophobicContact CE-CD2 4.12Å; M891-I919 HydrophobicContact CE-CD1 4.02Å; M891-I919 HydrophobicContact CE-CG1 3.63Å; M891-I919 HydrophobicContact SD-CD1 4.41Å; M891-I919 HydrophobicContact SD-CG1 3.75Å; M891-L926 HydrophobicContact CB-CD2 3.94Å; M891-L926 HydrophobicContact SD-CD1 4.02Å; M891-Y931 CarbonylContact O-C 3.56Å; M891-G932 WeakPolarHBondContact O-CA 3.26Å; M891-G932 PolarHBondContact O-N 3.24Å; M891-V935 HydrophobicContact CB-CG2 4.09Å; M891-V935 HydrophobicContact CE-CG1 4.45Å; M891-V935 HydrophobicContact CG-CB 4.35Å; M891-V935 HydrophobicContact CG-CG1 4Å; M891-V935 HydrophobicContact CG-CG2 4.12Å; M891-V935 HydrophobicContact SD-CG1 4.43Å |
| 892 | T | 98.3 | Very high | 97.7 | Very high | 36 Ų | 36 | 38 Ų | 38 | 22% | 0.221 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -5.2 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | Y888 Q889 L890 L926 Q929 Y931 | Y888-T892 HydrophobicContact CE1-CG2 4.38Å; Y888-T892 PolarHBondContact O-N 3.36Å; Y888-T892 PolarHBondContact O-OG1 3.29Å; Q889-T892 CarbonylContact O-C 3.6Å; Q889-T892 PolarHBondContact O-N 3.2Å; Q889-T892 PolarHBondContact O-OG1 3.48Å; L890-T892 PolarHBondContact O-N 2.88Å; T892-L926 HydrophobicContact CG2-CD2 3.81Å; T892-Q929 HydrophobicContact CG2-CG 4.26Å; T892-Q929 PolarHBondContact O-NE2 3.44Å; T892-Y931 WeakPolarHBondContact O-CD2 3.42Å |
| 893 | D | 98.6 | Very high | 97.8 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 19% | 0.193 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -87.3 | 147.6 | -177.1 | -179.3 | -105.6 | 0 | 0 | 0 | 112.9 | Q889 L890 F895 G896 N897 | Q889-D893 PolarHBondContact O-N 3.1Å; Q889-D893 VanDerWaalsContact O-N 3.08Å; L890-D893 PolarHBondContact O-N 3.16Å; L890-D893 VanDerWaalsContact O-N 3.17Å; D893-F895 VanDerWaalsContact C-N 3.28Å; D893-F895 PolarHBondContact O-N 3.13Å; D893-F895 WeakPolarHBondContact OD1-CA 3.39Å; D893-F895 PolarHBondContact OD1-N 3.08Å; D893-G896 PolarHBondContact OD1-N 3.29Å; D893-N897 WeakPolarHBondContact O-CB 3.28Å; D893-N897 PolarHBondContact O-N 3.42Å; D893-N897 PolarHBondContact O-ND2 2.88Å |
| 894 | V | 98 | Very high | 97.8 | Very high | 53 Ų | 53 | 35.6 Ų | 35.6 | 32% | 0.321 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28 | -178 | 57.2 | 0 | 0 | 0 | 0 | 114 | N897 Y898 Y931 | V894-N897 PolarHBondContact O-ND2 3.18Å; V894-N897 VanDerWaalsContact O-ND2 3.09Å; V894-Y898 WeakPolarHBondContact O-CE2 3.49Å; V894-Y931 HydrophobicContact CB-CE1 4.05Å; V894-Y931 HydrophobicContact CB-CE2 3.86Å; V894-Y931 HydrophobicContact CG2-CE1 3.89Å; V894-Y931 HydrophobicContact CG2-CE2 4.46Å; V894-Y931 VanDerWaalsContact CG2-OH 3.31Å; V894-Y931 WeakPolarHBondContact CG2-OH 3.21Å |
| 895 | F | 98.5 | Very high | 97.7 | Very high | 59 Ų | 59 | 36.9 Ų | 36.9 | 26% | 0.259 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -31.4 | 177.8 | -53 | -54.5 | 0 | 0 | 0 | 112.7 | S855 Q856 Q858 S861 D893 N897 | S855-F895 CarbonylContact O-C 3.59Å; S855-F895 VanDerWaalsContact O-C 3.24Å; Q856-F895 WeakPolarHBondContact O-CD2 3.46Å; Q858-F895 HydrophobicContact CB-CD1 4.19Å; Q858-F895 HydrophobicContact CB-CD2 4.33Å; Q858-F895 HydrophobicContact CB-CE1 3.8Å; Q858-F895 HydrophobicContact CB-CE2 3.95Å; Q858-F895 HydrophobicContact CB-CG 4.45Å; Q858-F895 HydrophobicContact CB-CZ 3.67Å; Q858-F895 HydrophobicContact CG-CD1 4.26Å; Q858-F895 HydrophobicContact CG-CE1 3.72Å; Q858-F895 HydrophobicContact CG-CZ 3.99Å; S861-F895 PolarHBondContact OG-O 3.1Å; D893-F895 VanDerWaalsContact C-N 3.28Å; D893-F895 PolarHBondContact O-N 3.13Å; D893-F895 WeakPolarHBondContact OD1-CA 3.39Å; D893-F895 PolarHBondContact OD1-N 3.08Å; F895-N897 VanDerWaalsContact C-N 3.33Å; F895-N897 PolarHBondContact O-N 3Å |
| 896 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.8 | -31.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S855 L890 D893 Y898 V899 I900 | S855-G896 WeakPolarHBondContact O-CA 3.41Å; S855-G896 PolarHBondContact O-N 3.09Å; L890-G896 CarbonylContact O-C 3.25Å; D893-G896 PolarHBondContact OD1-N 3.29Å; G896-Y898 PolarHBondContact O-N 2.71Å; G896-Y898 VanDerWaalsContact O-N 3.13Å; G896-V899 WeakPolarHBondContact O-CB 3.23Å; G896-V899 PolarHBondContact O-N 2.77Å; G896-I900 PolarHBondContact O-N 3.27Å |
| 897 | N | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -31.8 | -176.6 | 72.3 | 89.8 | 0 | 0 | 0 | 112.2 | L890 D893 V894 F895 Q901 V935 | L890-N897 VanDerWaalsContact O-CA 3.31Å; L890-N897 WeakPolarHBondContact O-CA 3.46Å; L890-N897 PolarHBondContact O-N 3.46Å; D893-N897 WeakPolarHBondContact O-CB 3.28Å; D893-N897 PolarHBondContact O-N 3.42Å; D893-N897 PolarHBondContact O-ND2 2.88Å; V894-N897 PolarHBondContact O-ND2 3.18Å; V894-N897 VanDerWaalsContact O-ND2 3.09Å; F895-N897 VanDerWaalsContact C-N 3.33Å; F895-N897 PolarHBondContact O-N 3Å; N897-Q901 VanDerWaalsContact C-NE2 3.3Å; N897-Q901 WeakPolarHBondContact O-CB 3.41Å; N897-Q901 WeakPolarHBondContact O-CG 3.43Å; N897-Q901 PolarHBondContact O-N 3.42Å; N897-Q901 PolarHBondContact O-NE2 2.91Å; N897-Q901 PolarHBondContact OD1-NE2 3.2Å; N897-V935 HydrophobicContact CB-CG2 4.06Å |
| 898 | Y | 98.5 | Very high | 97.4 | Very high | 91 Ų | 91 | 35.3 Ų | 35.3 | 36% | 0.357 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -71.9 | -31.7 | 178.1 | -61.5 | -68.7 | 0 | 0 | 0 | 112.8 | Q865 V894 G896 K902 | Q865-Y898 VanDerWaalsContact NE2-CB 3.31Å; V894-Y898 WeakPolarHBondContact O-CE2 3.49Å; G896-Y898 PolarHBondContact O-N 2.71Å; G896-Y898 VanDerWaalsContact O-N 3.13Å; Y898-K902 WeakPolarHBondContact O-CG 3.15Å; Y898-K902 PolarHBondContact O-N 3Å |
| 899 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.8 | -44.5 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | S861 I864 Q865 L868 I883 G896 Q901 K902 F903 | S861-V899 WeakPolarHBondContact OG-CG2 3.43Å; I864-V899 HydrophobicContact CB-CG2 4.38Å; I864-V899 HydrophobicContact CG2-CG1 3.77Å; I864-V899 HydrophobicContact CG2-CG2 4.02Å; Q865-V899 HydrophobicContact CG-CG2 4.48Å; L868-V899 HydrophobicContact CD1-CG1 4.2Å; I883-V899 HydrophobicContact CD1-CG1 3.95Å; G896-V899 WeakPolarHBondContact O-CB 3.23Å; G896-V899 PolarHBondContact O-N 2.77Å; V899-Q901 PolarHBondContact O-N 2.97Å; V899-K902 PolarHBondContact O-N 2.86Å; V899-K902 VanDerWaalsContact O-N 3.16Å; V899-F903 HydrophobicContact CG1-CD2 4.32Å; V899-F903 HydrophobicContact CG1-CE2 4.28Å; V899-F903 WeakPolarHBondContact O-CD2 3.38Å; V899-F903 PolarHBondContact O-N 2.87Å; V899-F903 VanDerWaalsContact O-N 3.13Å |
| 900 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.6 | -53.5 | -63.5 | 0 | 0 | 0 | 111.1 | I883 A887 L890 M891 G896 K902 F903 F904 L915 V935 | I883-I900 HydrophobicContact CD1-CD1 4.18Å; A887-I900 HydrophobicContact CB-CD1 4.32Å; L890-I900 HydrophobicContact CB-CD1 4Å; L890-I900 HydrophobicContact CB-CG1 3.87Å; L890-I900 HydrophobicContact CD1-CD1 4.29Å; M891-I900 HydrophobicContact CE-CG2 3.81Å; M891-I900 HydrophobicContact CG-CB 4.38Å; M891-I900 HydrophobicContact CG-CG1 4.12Å; M891-I900 HydrophobicContact CG-CG2 3.93Å; G896-I900 PolarHBondContact O-N 3.27Å; I900-K902 VanDerWaalsContact C-N 3.33Å; I900-K902 PolarHBondContact O-N 3.38Å; I900-F903 PolarHBondContact O-N 2.84Å; I900-F903 VanDerWaalsContact O-N 3.13Å; I900-F904 HydrophobicContact CG2-CD2 4.15Å; I900-F904 HydrophobicContact CG2-CE2 3.91Å; I900-F904 PolarHBondContact O-N 3.47Å; I900-L915 HydrophobicContact CD1-CD2 4.3Å; I900-L915 HydrophobicContact CG2-CD1 4.1Å; I900-L915 HydrophobicContact CG2-CD2 4.2Å; I900-V935 HydrophobicContact CB-CG1 4.46Å; I900-V935 HydrophobicContact CB-CG2 4.48Å; I900-V935 HydrophobicContact CG2-CG1 3.67Å |
| 901 | Q | 98.1 | Very high | 96.9 | Very high | 38 Ų | 38 | 35.9 Ų | 35.9 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -39 | 173 | -79 | 165.6 | 84.3 | 0 | 0 | 112.7 | N897 V899 F903 F904 E905 V935 K938 | N897-Q901 VanDerWaalsContact C-NE2 3.3Å; N897-Q901 WeakPolarHBondContact O-CB 3.41Å; N897-Q901 WeakPolarHBondContact O-CG 3.43Å; N897-Q901 PolarHBondContact O-N 3.42Å; N897-Q901 PolarHBondContact O-NE2 2.91Å; N897-Q901 PolarHBondContact OD1-NE2 3.2Å; V899-Q901 PolarHBondContact O-N 2.97Å; Q901-F903 VanDerWaalsContact C-N 3.29Å; Q901-F903 PolarHBondContact O-N 2.84Å; Q901-F904 PolarHBondContact O-N 2.8Å; Q901-E905 WeakPolarHBondContact O-CB 3.33Å; Q901-E905 PolarHBondContact O-N 3.46Å; Q901-V935 HydrophobicContact CG-CG2 4.38Å; Q901-K938 HydrophobicContact CB-CB 4.45Å; Q901-K938 HydrophobicContact CB-CG 4.13Å; Q901-K938 HydrophobicContact CG-CB 3.82Å; Q901-K938 HydrophobicContact CG-CG 4.05Å |
| 902 | K | 97.7 | Very high | 96.7 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 17% | 0.174 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.8 | -24.9 | 175.5 | -74.8 | -73.4 | 168.4 | -172.9 | 0 | 113.4 | Q865 L868 E869 Y898 V899 I900 E905 F906 | Q865-K902 HydrophobicContact CB-CG 4.32Å; Q865-K902 HydrophobicContact CG-CG 4.15Å; L868-K902 HydrophobicContact CD1-CB 4.18Å; E869-K902 HydrophobicContact CG-CD 4.48Å; E869-K902 WeakPolarHBondContact OE1-CE 3.42Å; E869-K902 IonicContact OE1-NZ 3.71Å; E869-K902 PolarHBondContact OE1-NZ 3.37Å; Y898-K902 WeakPolarHBondContact O-CG 3.15Å; Y898-K902 PolarHBondContact O-N 3Å; V899-K902 PolarHBondContact O-N 2.86Å; V899-K902 VanDerWaalsContact O-N 3.16Å; I900-K902 VanDerWaalsContact C-N 3.33Å; I900-K902 PolarHBondContact O-N 3.38Å; K902-E905 WeakPolarHBondContact CD-OE2 3.36Å; K902-E905 WeakPolarHBondContact CE-OE2 3.41Å; K902-E905 IonicContact NZ-OE2 3.85Å; K902-E905 PolarHBondContact NZ-OE2 3.2Å; K902-F906 HydrophobicContact CD-CD2 3.9Å; K902-F906 HydrophobicContact CD-CE2 3.64Å; K902-F906 PolarHBondContact O-N 3.28Å |
| 903 | F | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -77.8 | -34.7 | 169.3 | -86.4 | -79.5 | 0 | 0 | 0 | 113.4 | L868 R876 V879 F880 I883 V899 I900 Q901 E905 G907 L915 | L868-F903 HydrophobicContact CD1-CD2 4.03Å; L868-F903 HydrophobicContact CD1-CE2 3.56Å; L868-F903 HydrophobicContact CD1-CZ 4.21Å; L868-F903 HydrophobicContact CD2-CE1 4.37Å; L868-F903 HydrophobicContact CD2-CE2 3.81Å; L868-F903 HydrophobicContact CD2-CZ 3.57Å; L868-F903 HydrophobicContact CG-CE2 4.37Å; R876-F903 HydrophobicContact CB-CE1 4.22Å; R876-F903 WeakPolarHBondContact O-CE1 3.28Å; R876-F903 WeakPolarHBondContact O-CZ 3.5Å; V879-F903 HydrophobicContact CB-CE2 4.4Å; V879-F903 HydrophobicContact CB-CZ 3.99Å; V879-F903 HydrophobicContact CG1-CE2 3.79Å; V879-F903 HydrophobicContact CG1-CZ 3.9Å; F880-F903 HydrophobicContact CB-CE1 3.78Å; F880-F903 HydrophobicContact CB-CZ 4.02Å; F880-F903 AromaticContact CD2-CD1 3.52Å; F880-F903 HydrophobicContact CD2-CD1 3.52Å; F880-F903 AromaticContact CD2-CE1 3.65Å; F880-F903 HydrophobicContact CD2-CE1 3.65Å; F880-F903 AromaticContact CD2-CG 3.98Å; F880-F903 HydrophobicContact CD2-CG 3.98Å; F880-F903 HydrophobicContact CD2-CZ 4.21Å; F880-F903 HydrophobicContact CE2-CD1 4.16Å; F880-F903 HydrophobicContact CE2-CG 4.42Å; F880-F903 HydrophobicContact CG-CD1 4.4Å; F880-F903 HydrophobicContact CG-CE1 4.14Å; I883-F903 HydrophobicContact CD1-CD2 3.48Å; I883-F903 VanDerWaalsContact CD1-CD2 3.48Å; I883-F903 HydrophobicContact CD1-CE2 3.38Å; I883-F903 HydrophobicContact CD1-CG 4.42Å; I883-F903 HydrophobicContact CD1-CZ 4.26Å; V899-F903 HydrophobicContact CG1-CD2 4.32Å; V899-F903 HydrophobicContact CG1-CE2 4.28Å; V899-F903 WeakPolarHBondContact O-CD2 3.38Å; V899-F903 PolarHBondContact O-N 2.87Å; V899-F903 VanDerWaalsContact O-N 3.13Å; I900-F903 PolarHBondContact O-N 2.84Å; I900-F903 VanDerWaalsContact O-N 3.13Å; Q901-F903 VanDerWaalsContact C-N 3.29Å; Q901-F903 PolarHBondContact O-N 2.84Å; F903-E905 VanDerWaalsContact C-N 3.25Å; F903-E905 PolarHBondContact O-N 3.32Å; F903-G907 VanDerWaalsContact O-CA 3.26Å; F903-G907 WeakPolarHBondContact O-CA 3.34Å; F903-G907 PolarHBondContact O-N 3.34Å; F903-L915 HydrophobicContact CB-CD1 3.65Å |
| 904 | F | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -33.8 | 166.7 | -78.9 | -61.8 | 0 | 0 | 0 | 112.1 | I900 Q901 K912 L915 I919 V935 K938 A939 S942 I943 | I900-F904 HydrophobicContact CG2-CD2 4.15Å; I900-F904 HydrophobicContact CG2-CE2 3.91Å; I900-F904 PolarHBondContact O-N 3.47Å; Q901-F904 PolarHBondContact O-N 2.8Å; F904-K912 HydrophobicContact CD1-CB 4.28Å; F904-K912 HydrophobicContact CD1-CG 4.37Å; F904-K912 HydrophobicContact CE1-CB 4.47Å; F904-K912 WeakPolarHBondContact O-CD 3.46Å; F904-K912 WeakPolarHBondContact O-CE 3.41Å; F904-K912 PolarHBondContact O-NZ 3.47Å; F904-L915 HydrophobicContact CD2-CD1 4.32Å; F904-L915 HydrophobicContact CE1-CB 3.85Å; F904-L915 HydrophobicContact CE1-CD1 4.49Å; F904-L915 HydrophobicContact CE2-CB 3.96Å; F904-L915 HydrophobicContact CE2-CD1 4.08Å; F904-L915 HydrophobicContact CZ-CB 3.37Å; F904-L915 HydrophobicContact CZ-CD1 4.18Å; F904-L915 HydrophobicContact CZ-CG 4.41Å; F904-I919 HydrophobicContact CE2-CD1 3.87Å; F904-I919 HydrophobicContact CZ-CD1 3.61Å; F904-V935 HydrophobicContact CD2-CG1 3.98Å; F904-V935 HydrophobicContact CE2-CG1 3.59Å; F904-K938 HydrophobicContact CB-CG 4Å; F904-A939 HydrophobicContact CD1-CB 4.18Å; F904-A939 HydrophobicContact CD2-CB 4.28Å; F904-A939 HydrophobicContact CE1-CB 3.9Å; F904-A939 HydrophobicContact CE2-CB 3.98Å; F904-A939 HydrophobicContact CG-CB 4.38Å; F904-A939 HydrophobicContact CZ-CB 3.78Å; F904-S942 WeakPolarHBondContact O-CB 3.47Å; F904-S942 PolarHBondContact O-OG 3.44Å; F904-I943 HydrophobicContact CD1-CD1 4.36Å; F904-I943 HydrophobicContact CD1-CG1 4.28Å; F904-I943 HydrophobicContact CE1-CD1 3.82Å; F904-I943 HydrophobicContact CE1-CG1 4.15Å |
| 905 | E | 95.4 | Very high | 96.2 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.6 | -61.3 | 176.1 | -161.1 | 157 | -103.9 | 0 | 0 | 112.3 | Q901 K902 F903 K912 K938 | Q901-E905 WeakPolarHBondContact O-CB 3.33Å; Q901-E905 PolarHBondContact O-N 3.46Å; K902-E905 WeakPolarHBondContact CD-OE2 3.36Å; K902-E905 WeakPolarHBondContact CE-OE2 3.41Å; K902-E905 IonicContact NZ-OE2 3.85Å; K902-E905 PolarHBondContact NZ-OE2 3.2Å; F903-E905 VanDerWaalsContact C-N 3.25Å; F903-E905 PolarHBondContact O-N 3.32Å; E905-K912 PolarHBondContact O-NZ 3.29Å; E905-K938 WeakPolarHBondContact OE1-CE 3.37Å; E905-K938 IonicContact OE1-NZ 3.15Å; E905-K938 PolarHBondContact OE1-NZ 2.88Å |
| 906 | F | 94.1 | Very high | 95.9 | Very high | 75 Ų | 75 | 34.2 Ų | 34.2 | 33% | 0.329 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -112.1 | 3.1 | -167.2 | -56.2 | -69.8 | 0 | 0 | 0 | 116.3 | E869 R876 K902 | E869-F906 HydrophobicContact CG-CD2 4.16Å; E869-F906 HydrophobicContact CG-CE2 3.57Å; E869-F906 HydrophobicContact CG-CZ 4.04Å; R876-F906 PolarHBondContact NH1-O 2.87Å; K902-F906 HydrophobicContact CD-CD2 3.9Å; K902-F906 HydrophobicContact CD-CE2 3.64Å; K902-F906 PolarHBondContact O-N 3.28Å |
| 907 | G | 94.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -74.3 | 162.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F903 K912 | F903-G907 VanDerWaalsContact O-CA 3.26Å; F903-G907 WeakPolarHBondContact O-CA 3.34Å; F903-G907 PolarHBondContact O-N 3.34Å; G907-K912 WeakPolarHBondContact O-CE 3.5Å |
| 908 | S | 94.2 | Very high | 95.4 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | trans | -66.3 | 163.8 | 170.6 | 78.1 | 0 | 0 | 0 | 0 | 111.4 | D910 Q911 K912 | S908-D910 PolarHBondContact O-N 3.27Å; S908-D910 PolarHBondContact OG-N 2.98Å; S908-D910 PolarHBondContact OG-OD2 3.06Å; S908-Q911 WeakPolarHBondContact O-CB 3.19Å; S908-Q911 PolarHBondContact O-N 3.45Å; S908-Q911 WeakPolarHBondContact OG-CG 3.34Å; S908-Q911 PolarHBondContact OG-N 2.96Å; S908-K912 WeakPolarHBondContact O-CG 3.4Å; S908-K912 PolarHBondContact O-N 3.05Å | ||
| 909 | A | 92.5 | Very high | 95.3 | Very high | 67 Ų | 67 | 38.2 Ų | 38.2 | 55% | 0.554 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -52.6 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q911 K912 L913 | A909-Q911 VanDerWaalsContact C-N 3.34Å; A909-Q911 PolarHBondContact O-N 3.23Å; A909-K912 PolarHBondContact O-N 3.12Å; A909-L913 WeakPolarHBondContact O-CB 3.32Å; A909-L913 PolarHBondContact O-N 2.95Å |
| 910 | D | 93.4 | Very high | 95 | Very high | 119 Ų | 119 | 44.6 Ų | 44.6 | 64% | 0.636 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.4 | -38.6 | 177.8 | -30.3 | -78.1 | 0 | 0 | 0 | 112.3 | S908 A914 | S908-D910 PolarHBondContact O-N 3.27Å; S908-D910 PolarHBondContact OG-N 2.98Å; S908-D910 PolarHBondContact OG-OD2 3.06Å; D910-A914 WeakPolarHBondContact O-CB 3.33Å; D910-A914 PolarHBondContact O-N 3.24Å |
| 911 | Q | 95.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 176.6 | -68.6 | 173.4 | -12.4 | 0 | 0 | 111.4 | F880 S908 A909 L915 | F880-Q911 HydrophobicContact CD1-CB 4.44Å; F880-Q911 HydrophobicContact CD1-CG 3.81Å; F880-Q911 HydrophobicContact CD2-CB 4.1Å; F880-Q911 HydrophobicContact CD2-CG 4.04Å; F880-Q911 HydrophobicContact CE1-CB 4.11Å; F880-Q911 HydrophobicContact CE1-CG 3.87Å; F880-Q911 HydrophobicContact CE2-CB 3.74Å; F880-Q911 HydrophobicContact CE2-CG 4.1Å; F880-Q911 HydrophobicContact CG-CB 4.43Å; F880-Q911 HydrophobicContact CG-CG 3.89Å; F880-Q911 HydrophobicContact CZ-CB 3.75Å; F880-Q911 HydrophobicContact CZ-CG 4.02Å; F880-Q911 VanDerWaalsContact CZ-O 3.29Å; F880-Q911 WeakPolarHBondContact CZ-O 3.49Å; S908-Q911 WeakPolarHBondContact O-CB 3.19Å; S908-Q911 PolarHBondContact O-N 3.45Å; S908-Q911 WeakPolarHBondContact OG-CG 3.34Å; S908-Q911 PolarHBondContact OG-N 2.96Å; A909-Q911 VanDerWaalsContact C-N 3.34Å; A909-Q911 PolarHBondContact O-N 3.23Å; Q911-L915 WeakPolarHBondContact O-CG 3.48Å; Q911-L915 PolarHBondContact O-N 2.83Å |
| 912 | K | 95 | Very high | 94.7 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 17% | 0.17 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 175 | -60.5 | -174.1 | -164.2 | -155.2 | 0 | 111.2 | F904 E905 G907 S908 A909 L915 A916 S942 | F904-K912 HydrophobicContact CD1-CB 4.28Å; F904-K912 HydrophobicContact CD1-CG 4.37Å; F904-K912 HydrophobicContact CE1-CB 4.47Å; F904-K912 WeakPolarHBondContact O-CD 3.46Å; F904-K912 WeakPolarHBondContact O-CE 3.41Å; F904-K912 PolarHBondContact O-NZ 3.47Å; E905-K912 PolarHBondContact O-NZ 3.29Å; G907-K912 WeakPolarHBondContact O-CE 3.5Å; S908-K912 WeakPolarHBondContact O-CG 3.4Å; S908-K912 PolarHBondContact O-N 3.05Å; A909-K912 PolarHBondContact O-N 3.12Å; K912-L915 PolarHBondContact O-N 2.98Å; K912-A916 WeakPolarHBondContact O-CB 3.46Å; K912-A916 PolarHBondContact O-N 3.06Å; K912-S942 WeakPolarHBondContact CD-O 3.46Å |
| 913 | L | 92.6 | Very high | 94.6 | Very high | 77 Ų | 77 | 46.9 Ų | 46.9 | 40% | 0.403 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 177.6 | -178.3 | 60.9 | 0 | 0 | 0 | 112.4 | A909 A916 T917 V949 | A909-L913 WeakPolarHBondContact O-CB 3.32Å; A909-L913 PolarHBondContact O-N 2.95Å; L913-A916 PolarHBondContact O-N 3.28Å; L913-T917 WeakPolarHBondContact O-CB 3.49Å; L913-T917 PolarHBondContact O-N 3.46Å; L913-T917 PolarHBondContact O-OG1 3Å; L913-V949 HydrophobicContact CD1-CG1 4.43Å; L913-V949 HydrophobicContact CD1-CG2 3.79Å |
| 914 | A | 94.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F880 L884 D910 T917 R918 | F880-A914 HydrophobicContact CE1-CB 4.12Å; F880-A914 HydrophobicContact CZ-CB 3.96Å; L884-A914 HydrophobicContact CD1-CB 4.19Å; L884-A914 HydrophobicContact CD2-CB 4.49Å; D910-A914 WeakPolarHBondContact O-CB 3.33Å; D910-A914 PolarHBondContact O-N 3.24Å; A914-T917 WeakPolarHBondContact O-CB 3.33Å; A914-T917 PolarHBondContact O-N 2.8Å; A914-R918 WeakPolarHBondContact O-CG 3.48Å; A914-R918 PolarHBondContact O-N 3.47Å; A914-R918 VanDerWaalsContact O-N 3.09Å |
| 915 | L | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 173.9 | -71.9 | 172.8 | 0 | 0 | 0 | 112.7 | F880 L884 A887 M891 I900 F903 F904 Q911 K912 T917 R918 I919 | F880-L915 HydrophobicContact CE2-CD1 3.93Å; F880-L915 HydrophobicContact CE2-CD2 4.13Å; F880-L915 HydrophobicContact CE2-CG 3.74Å; F880-L915 HydrophobicContact CZ-CD2 4.49Å; F880-L915 HydrophobicContact CZ-CG 4.05Å; L884-L915 HydrophobicContact CD1-CD2 4.31Å; A887-L915 HydrophobicContact CB-CD2 3.98Å; M891-L915 HydrophobicContact CE-CD2 4.12Å; I900-L915 HydrophobicContact CD1-CD2 4.3Å; I900-L915 HydrophobicContact CG2-CD1 4.1Å; I900-L915 HydrophobicContact CG2-CD2 4.2Å; F903-L915 HydrophobicContact CB-CD1 3.65Å; F904-L915 HydrophobicContact CD2-CD1 4.32Å; F904-L915 HydrophobicContact CE1-CB 3.85Å; F904-L915 HydrophobicContact CE1-CD1 4.49Å; F904-L915 HydrophobicContact CE2-CB 3.96Å; F904-L915 HydrophobicContact CE2-CD1 4.08Å; F904-L915 HydrophobicContact CZ-CB 3.37Å; F904-L915 HydrophobicContact CZ-CD1 4.18Å; F904-L915 HydrophobicContact CZ-CG 4.41Å; Q911-L915 WeakPolarHBondContact O-CG 3.48Å; Q911-L915 PolarHBondContact O-N 2.83Å; K912-L915 PolarHBondContact O-N 2.98Å; L915-T917 VanDerWaalsContact C-N 3.26Å; L915-T917 PolarHBondContact O-N 2.99Å; L915-R918 CarbonylContact O-C 3.48Å; L915-R918 PolarHBondContact O-N 3.05Å; L915-I919 WeakPolarHBondContact O-CG1 3.45Å; L915-I919 PolarHBondContact O-N 3.13Å |
| 916 | A | 93.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.9 | -39 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K912 L913 R918 I919 R920 I943 V949 I953 | K912-A916 WeakPolarHBondContact O-CB 3.46Å; K912-A916 PolarHBondContact O-N 3.06Å; L913-A916 PolarHBondContact O-N 3.28Å; A916-R918 VanDerWaalsContact C-N 3.29Å; A916-R918 PolarHBondContact O-N 2.96Å; A916-I919 WeakPolarHBondContact O-CB 3.43Å; A916-I919 PolarHBondContact O-N 3.13Å; A916-I919 VanDerWaalsContact O-N 3.1Å; A916-R920 PolarHBondContact O-N 3.41Å; A916-I943 HydrophobicContact CB-CD1 3.87Å; A916-V949 HydrophobicContact CB-CG1 3.74Å; A916-I953 HydrophobicContact CB-CD1 4.2Å |
| 917 | T | 92.3 | Very high | 95 | Very high | 90 Ų | 90 | 44.4 Ų | 44.4 | 55% | 0.552 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.5 | -26.7 | 175.1 | -54.6 | 0 | 0 | 0 | 0 | 112.7 | L913 A914 L915 | L913-T917 WeakPolarHBondContact O-CB 3.49Å; L913-T917 PolarHBondContact O-N 3.46Å; L913-T917 PolarHBondContact O-OG1 3Å; A914-T917 WeakPolarHBondContact O-CB 3.33Å; A914-T917 PolarHBondContact O-N 2.8Å; L915-T917 VanDerWaalsContact C-N 3.26Å; L915-T917 PolarHBondContact O-N 2.99Å |
| 918 | R | 94.4 | Very high | 95.2 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 33% | 0.325 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -82.1 | -16.4 | 170.7 | -58.6 | -62.9 | -75.9 | 125 | -4.9 | 113.9 | L884 Q885 A887 A914 L915 A916 | L884-R918 HydrophobicContact CD1-CG 3.79Å; L884-R918 PolarHBondContact O-NE 3.23Å; Q885-R918 PolarHBondContact O-NH2 3.39Å; A887-R918 HydrophobicContact CB-CB 4.49Å; A887-R918 HydrophobicContact CB-CG 4.48Å; A914-R918 WeakPolarHBondContact O-CG 3.48Å; A914-R918 PolarHBondContact O-N 3.47Å; A914-R918 VanDerWaalsContact O-N 3.09Å; L915-R918 CarbonylContact O-C 3.48Å; L915-R918 PolarHBondContact O-N 3.05Å; A916-R918 VanDerWaalsContact C-N 3.29Å; A916-R918 PolarHBondContact O-N 2.96Å |
| 919 | I | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -83.7 | -33.4 | 173.3 | -74.3 | 169.8 | 0 | 0 | 0 | 111.3 | M891 F904 L915 A916 H922 V923 L926 V935 I936 A939 | M891-I919 HydrophobicContact CE-CD1 4.02Å; M891-I919 HydrophobicContact CE-CG1 3.63Å; M891-I919 HydrophobicContact SD-CD1 4.41Å; M891-I919 HydrophobicContact SD-CG1 3.75Å; F904-I919 HydrophobicContact CE2-CD1 3.87Å; F904-I919 HydrophobicContact CZ-CD1 3.61Å; L915-I919 WeakPolarHBondContact O-CG1 3.45Å; L915-I919 PolarHBondContact O-N 3.13Å; A916-I919 WeakPolarHBondContact O-CB 3.43Å; A916-I919 PolarHBondContact O-N 3.13Å; A916-I919 VanDerWaalsContact O-N 3.1Å; I919-H922 CarbonylContact O-C 3.07Å; I919-H922 WeakPolarHBondContact O-CA 3.5Å; I919-H922 WeakPolarHBondContact O-CB 3.38Å; I919-H922 PolarHBondContact O-N 3.47Å; I919-V923 HydrophobicContact CG2-CG2 3.64Å; I919-V923 PolarHBondContact O-N 2.99Å; I919-L926 HydrophobicContact CG1-CD1 4.12Å; I919-L926 HydrophobicContact CG2-CD1 4.36Å; I919-V935 HydrophobicContact CD1-CG1 4.27Å; I919-I936 HydrophobicContact CD1-CD1 4.2Å; I919-I936 HydrophobicContact CG1-CD1 4.35Å; I919-I936 HydrophobicContact CG2-CD1 3.49Å; I919-I936 VanDerWaalsContact CG2-CD1 3.49Å; I919-A939 HydrophobicContact CD1-CB 4.15Å |
| 920 | R | 92.3 | Very high | 95.6 | Very high | 134 Ų | 134 | 47.9 Ų | 47.9 | 51% | 0.506 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 134.5 | 179.9 | -165.3 | -176.8 | -174.3 | 129.2 | 13.5 | 112.1 | A916 H922 D952 E956 | A916-R920 PolarHBondContact O-N 3.41Å; R920-H922 VanDerWaalsContact C-N 3.25Å; R920-D952 IonicContact CZ-OD2 3.72Å; R920-D952 IonicContact NH1-OD2 3.19Å; R920-D952 PolarHBondContact NH1-OD2 3.14Å; R920-D952 IonicContact NH2-OD1 3.17Å; R920-D952 IonicContact NH2-OD2 2.81Å; R920-D952 PolarHBondContact NH2-OD2 3.41Å; R920-E956 VanDerWaalsContact CA-OE1 3.3Å; R920-E956 WeakPolarHBondContact CA-OE1 3.4Å; R920-E956 VanDerWaalsContact CG-OE1 3.28Å; R920-E956 WeakPolarHBondContact CG-OE1 3.46Å |
| 921 | G | 93.7 | Very high | 95.9 | Very high | 54 Ų | 54 | 45 Ų | 45 | 56% | 0.557 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -1.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | E956 | G921-E956 WeakPolarHBondContact CA-OE2 3.36Å; G921-E956 PolarHBondContact N-OE1 2.91Å; G921-E956 PolarHBondContact N-OE2 3.35Å |
| 922 | H | 96.4 | Very high | 96 | Very high | 73 Ų | 73 | 44.6 Ų | 44.6 | 34% | 0.338 | 23% | 0.233 | S | C | . | . | trans | -135.5 | 10.9 | -174 | -57.2 | -31.2 | 0 | 0 | 0 | 113.4 | Y888 I919 R920 L924 P925 L926 E956 | Y888-H922 HydrophobicContact CD2-CB 4.27Å; Y888-H922 AromaticContact CD2-CD2 3.86Å; Y888-H922 HydrophobicContact CE2-CB 3.79Å; I919-H922 CarbonylContact O-C 3.07Å; I919-H922 WeakPolarHBondContact O-CA 3.5Å; I919-H922 WeakPolarHBondContact O-CB 3.38Å; I919-H922 PolarHBondContact O-N 3.47Å; R920-H922 VanDerWaalsContact C-N 3.25Å; H922-L924 PolarHBondContact O-N 2.84Å; H922-P925 WeakPolarHBondContact O-CD 3.28Å; H922-L926 HydrophobicContact CB-CD1 4.29Å; H922-L926 WeakPolarHBondContact O-CB 3.49Å; H922-L926 WeakPolarHBondContact O-CG 3.37Å; H922-L926 PolarHBondContact O-N 2.9Å; H922-L926 VanDerWaalsContact O-N 3.08Å; H922-E956 PolarHBondContact N-OE2 3.49Å | ||
| 923 | V | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -47.5 | -175 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | I919 L926 A927 I936 I953 E956 L957 | I919-V923 HydrophobicContact CG2-CG2 3.64Å; I919-V923 PolarHBondContact O-N 2.99Å; V923-L926 PolarHBondContact O-N 3.16Å; V923-A927 VanDerWaalsContact O-CB 3.26Å; V923-A927 WeakPolarHBondContact O-CB 3.45Å; V923-A927 PolarHBondContact O-N 2.93Å; V923-I936 HydrophobicContact CG1-CD1 4.46Å; V923-I936 HydrophobicContact CG1-CG2 4.49Å; V923-I953 HydrophobicContact CG1-CG2 4.13Å; V923-I953 HydrophobicContact CG2-CB 4.35Å; V923-I953 HydrophobicContact CG2-CG1 4.44Å; V923-I953 HydrophobicContact CG2-CG2 3.9Å; V923-E956 HydrophobicContact CB-CB 3.75Å; V923-E956 HydrophobicContact CB-CG 4.5Å; V923-E956 WeakPolarHBondContact CB-OE2 3.21Å; V923-E956 HydrophobicContact CG1-CB 4.45Å; V923-E956 HydrophobicContact CG2-CB 4Å; V923-E956 HydrophobicContact CG2-CG 4.3Å; V923-E956 VanDerWaalsContact CG2-OE2 3.26Å; V923-E956 WeakPolarHBondContact CG2-OE2 3.38Å; V923-E956 PolarHBondContact N-OE2 3.44Å; V923-E956 VanDerWaalsContact N-OE2 3.08Å; V923-L957 HydrophobicContact CG1-CD2 3.9Å; V923-L957 HydrophobicContact CG1-CG 4.14Å |
| 924 | L | 97.2 | Very high | 96.4 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -51 | 179 | 174.4 | 74.4 | 0 | 0 | 0 | 112.8 | H922 L926 A927 L928 L957 H960 C964 | H922-L924 PolarHBondContact O-N 2.84Å; L924-L926 VanDerWaalsContact C-N 3.3Å; L924-L926 PolarHBondContact O-N 3.08Å; L924-A927 PolarHBondContact O-N 3.07Å; L924-L928 HydrophobicContact CD1-CD1 3.87Å; L924-L928 HydrophobicContact CD1-CG 4.2Å; L924-L928 HydrophobicContact CG-CD1 4.14Å; L924-L928 WeakPolarHBondContact O-CG 3.49Å; L924-L928 PolarHBondContact O-N 3.43Å; L924-L957 HydrophobicContact CB-CD2 4.48Å; L924-L957 HydrophobicContact CD1-CD2 4.45Å; L924-H960 HydrophobicContact CD1-CB 3.96Å; L924-H960 HydrophobicContact CD2-CB 4.31Å; L924-C964 WeakPolarHBondContact CD1-SG 3.28Å |
| 925 | P | 98.1 | Very high | 96.6 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 42% | 0.422 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -51.9 | -44.5 | 172.1 | -29.9 | 34.2 | 0 | 0 | 0 | 113.8 | H922 Q929 | H922-P925 WeakPolarHBondContact O-CD 3.28Å; P925-Q929 WeakPolarHBondContact O-CB 3.41Å; P925-Q929 PolarHBondContact O-N 3.31Å |
| 926 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.5 | -40.7 | 179.6 | -71.4 | 169.8 | 0 | 0 | 0 | 112.2 | Y888 M891 T892 I919 H922 V923 L924 L928 Q929 G932 C933 I936 | Y888-L926 HydrophobicContact CD2-CD1 4.24Å; Y888-L926 HydrophobicContact CD2-CD2 4.12Å; Y888-L926 HydrophobicContact CD2-CG 4.38Å; Y888-L926 HydrophobicContact CE2-CD1 4.07Å; Y888-L926 HydrophobicContact CE2-CD2 3.68Å; Y888-L926 HydrophobicContact CE2-CG 3.78Å; M891-L926 HydrophobicContact CB-CD2 3.94Å; M891-L926 HydrophobicContact SD-CD1 4.02Å; T892-L926 HydrophobicContact CG2-CD2 3.81Å; I919-L926 HydrophobicContact CG1-CD1 4.12Å; I919-L926 HydrophobicContact CG2-CD1 4.36Å; H922-L926 HydrophobicContact CB-CD1 4.29Å; H922-L926 WeakPolarHBondContact O-CB 3.49Å; H922-L926 WeakPolarHBondContact O-CG 3.37Å; H922-L926 PolarHBondContact O-N 2.9Å; H922-L926 VanDerWaalsContact O-N 3.08Å; V923-L926 PolarHBondContact O-N 3.16Å; L924-L926 VanDerWaalsContact C-N 3.3Å; L924-L926 PolarHBondContact O-N 3.08Å; L926-L928 VanDerWaalsContact C-N 3.28Å; L926-L928 PolarHBondContact O-N 2.88Å; L926-Q929 PolarHBondContact O-N 3.17Å; L926-G932 CarbonylContact O-C 3.24Å; L926-C933 PolarHBondContact O-N 3.17Å; L926-I936 HydrophobicContact CB-CD1 3.83Å; L926-I936 HydrophobicContact CB-CG1 3.76Å; L926-I936 HydrophobicContact CD1-CD1 3.95Å |
| 927 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -33.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V923 L924 C933 L957 N969 G970 V973 | V923-A927 VanDerWaalsContact O-CB 3.26Å; V923-A927 WeakPolarHBondContact O-CB 3.45Å; V923-A927 PolarHBondContact O-N 2.93Å; L924-A927 PolarHBondContact O-N 3.07Å; A927-C933 WeakPolarHBondContact O-CB 3.46Å; A927-L957 HydrophobicContact CB-CD2 4.29Å; A927-N969 CarbonylContact O-C 3.6Å; A927-N969 WeakPolarHBondContact O-CB 3.16Å; A927-G970 WeakPolarHBondContact O-CA 3.46Å; A927-G970 PolarHBondContact O-N 3.35Å; A927-V973 HydrophobicContact CB-CB 4.12Å; A927-V973 HydrophobicContact CB-CG1 4.09Å; A927-V973 HydrophobicContact CB-CG2 3.86Å |
| 928 | L | 98.3 | Very high | 97 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -8.7 | 176 | -59.6 | 173.7 | 0 | 0 | 0 | 113.1 | L924 L926 K963 D967 N969 | L924-L928 HydrophobicContact CD1-CD1 3.87Å; L924-L928 HydrophobicContact CD1-CG 4.2Å; L924-L928 HydrophobicContact CG-CD1 4.14Å; L924-L928 WeakPolarHBondContact O-CG 3.49Å; L924-L928 PolarHBondContact O-N 3.43Å; L926-L928 VanDerWaalsContact C-N 3.28Å; L926-L928 PolarHBondContact O-N 2.88Å; L928-K963 HydrophobicContact CD1-CD 4.28Å; L928-D967 HydrophobicContact CD2-CB 3.55Å; L928-D967 WeakPolarHBondContact CD2-OD1 3.48Å; L928-N969 PolarHBondContact O-ND2 3.39Å |
| 929 | Q | 98.3 | Very high | 97 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -95.9 | 138.5 | -176.7 | -153.3 | -86.5 | 0.5 | 0 | 0 | 111.6 | T892 P925 L926 Y931 G932 C933 | T892-Q929 HydrophobicContact CG2-CG 4.26Å; T892-Q929 PolarHBondContact O-NE2 3.44Å; P925-Q929 WeakPolarHBondContact O-CB 3.41Å; P925-Q929 PolarHBondContact O-N 3.31Å; L926-Q929 PolarHBondContact O-N 3.17Å; Q929-Y931 VanDerWaalsContact C-N 3.27Å; Q929-Y931 PolarHBondContact O-N 3.47Å; Q929-Y931 VanDerWaalsContact O-N 3.15Å; Q929-G932 PolarHBondContact O-N 3.27Å; Q929-C933 VanDerWaalsContact O-CB 3.26Å; Q929-C933 WeakPolarHBondContact O-CB 3.28Å; Q929-C933 PolarHBondContact O-N 2.78Å; Q929-C933 PolarHBondContact O-SG 2.92Å |
| 930 | M | 97.2 | Very high | 96.9 | Very high | 102 Ų | 102 | 37.4 Ų | 37.4 | 50% | 0.502 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.9 | -167 | -168.8 | 170.9 | 68.7 | 0 | 0 | 115.7 | ||
| 931 | Y | 98.4 | Very high | 97 | Very high | 58 Ų | 58 | 34.8 Ų | 34.8 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -38.8 | 176.2 | -50.2 | -66.1 | 0 | 0 | 0 | 111.2 | M891 T892 V894 Q929 C933 R934 V935 | M891-Y931 CarbonylContact O-C 3.56Å; T892-Y931 WeakPolarHBondContact O-CD2 3.42Å; V894-Y931 HydrophobicContact CB-CE1 4.05Å; V894-Y931 HydrophobicContact CB-CE2 3.86Å; V894-Y931 HydrophobicContact CG2-CE1 3.89Å; V894-Y931 HydrophobicContact CG2-CE2 4.46Å; V894-Y931 VanDerWaalsContact CG2-OH 3.31Å; V894-Y931 WeakPolarHBondContact CG2-OH 3.21Å; Q929-Y931 VanDerWaalsContact C-N 3.27Å; Q929-Y931 PolarHBondContact O-N 3.47Å; Q929-Y931 VanDerWaalsContact O-N 3.15Å; Y931-C933 VanDerWaalsContact C-N 3.26Å; Y931-C933 PolarHBondContact O-N 2.81Å; Y931-R934 VanDerWaalsContact O-CB 3.32Å; Y931-R934 WeakPolarHBondContact O-CB 3.47Å; Y931-R934 PolarHBondContact O-N 2.89Å; Y931-V935 PolarHBondContact O-N 3.42Å |
| 932 | G | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.3 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M891 L926 Q929 R934 V935 I936 | M891-G932 WeakPolarHBondContact O-CA 3.26Å; M891-G932 PolarHBondContact O-N 3.24Å; L926-G932 CarbonylContact O-C 3.24Å; Q929-G932 PolarHBondContact O-N 3.27Å; G932-R934 PolarHBondContact O-N 2.98Å; G932-V935 WeakPolarHBondContact O-CB 3.35Å; G932-V935 PolarHBondContact O-N 3.41Å; G932-I936 WeakPolarHBondContact O-CG1 3.43Å; G932-I936 PolarHBondContact O-N 3.35Å |
| 933 | C | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -31 | 178.6 | 75.6 | 0 | 0 | 0 | 0 | 112.2 | L926 A927 Q929 Y931 Q937 N969 V973 | L926-C933 PolarHBondContact O-N 3.17Å; A927-C933 WeakPolarHBondContact O-CB 3.46Å; Q929-C933 VanDerWaalsContact O-CB 3.26Å; Q929-C933 WeakPolarHBondContact O-CB 3.28Å; Q929-C933 PolarHBondContact O-N 2.78Å; Q929-C933 PolarHBondContact O-SG 2.92Å; Y931-C933 VanDerWaalsContact C-N 3.26Å; Y931-C933 PolarHBondContact O-N 2.81Å; C933-Q937 VanDerWaalsContact C-NE2 3.29Å; C933-Q937 WeakPolarHBondContact O-CB 3.42Å; C933-Q937 WeakPolarHBondContact O-CG 3.24Å; C933-Q937 PolarHBondContact O-N 3.46Å; C933-Q937 PolarHBondContact O-NE2 3.44Å; C933-N969 HydrophobicContact CB-CB 3.94Å; C933-V973 HydrophobicContact CB-CG2 3.96Å |
| 934 | R | 98.3 | Very high | 94.9 | Very high | 109 Ų | 109 | 34 Ų | 34 | 41% | 0.411 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -71.7 | -37.1 | 176.1 | -54.3 | -58.9 | 179.6 | 176.2 | -0.9 | 111.3 | Y931 G932 K938 | Y931-R934 VanDerWaalsContact O-CB 3.32Å; Y931-R934 WeakPolarHBondContact O-CB 3.47Å; Y931-R934 PolarHBondContact O-N 2.89Å; G932-R934 PolarHBondContact O-N 2.98Å; R934-K938 WeakPolarHBondContact O-CB 3.48Å; R934-K938 PolarHBondContact O-N 3.32Å |
| 935 | V | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -45.9 | 172.6 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | M891 N897 I900 Q901 F904 I919 Y931 G932 Q937 K938 A939 | M891-V935 HydrophobicContact CB-CG2 4.09Å; M891-V935 HydrophobicContact CE-CG1 4.45Å; M891-V935 HydrophobicContact CG-CB 4.35Å; M891-V935 HydrophobicContact CG-CG1 4Å; M891-V935 HydrophobicContact CG-CG2 4.12Å; M891-V935 HydrophobicContact SD-CG1 4.43Å; N897-V935 HydrophobicContact CB-CG2 4.06Å; I900-V935 HydrophobicContact CB-CG1 4.46Å; I900-V935 HydrophobicContact CB-CG2 4.48Å; I900-V935 HydrophobicContact CG2-CG1 3.67Å; Q901-V935 HydrophobicContact CG-CG2 4.38Å; F904-V935 HydrophobicContact CD2-CG1 3.98Å; F904-V935 HydrophobicContact CE2-CG1 3.59Å; I919-V935 HydrophobicContact CD1-CG1 4.27Å; Y931-V935 PolarHBondContact O-N 3.42Å; G932-V935 WeakPolarHBondContact O-CB 3.35Å; G932-V935 PolarHBondContact O-N 3.41Å; V935-Q937 VanDerWaalsContact C-N 3.34Å; V935-Q937 PolarHBondContact O-N 3.32Å; V935-K938 PolarHBondContact O-N 2.8Å; V935-A939 VanDerWaalsContact O-CB 3.32Å; V935-A939 WeakPolarHBondContact O-CB 3.44Å; V935-A939 PolarHBondContact O-N 3.27Å |
| 936 | I | 97.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -45 | 176.8 | -57.9 | -59 | 0 | 0 | 0 | 110.8 | I919 V923 L926 G932 K938 A939 L940 V973 | I919-I936 HydrophobicContact CD1-CD1 4.2Å; I919-I936 HydrophobicContact CG1-CD1 4.35Å; I919-I936 HydrophobicContact CG2-CD1 3.49Å; I919-I936 VanDerWaalsContact CG2-CD1 3.49Å; V923-I936 HydrophobicContact CG1-CD1 4.46Å; V923-I936 HydrophobicContact CG1-CG2 4.49Å; L926-I936 HydrophobicContact CB-CD1 3.83Å; L926-I936 HydrophobicContact CB-CG1 3.76Å; L926-I936 HydrophobicContact CD1-CD1 3.95Å; G932-I936 WeakPolarHBondContact O-CG1 3.43Å; G932-I936 PolarHBondContact O-N 3.35Å; I936-K938 PolarHBondContact O-N 2.98Å; I936-A939 PolarHBondContact O-N 3.11Å; I936-L940 HydrophobicContact CG2-CD1 4.19Å; I936-L940 WeakPolarHBondContact O-CG 3.48Å; I936-L940 PolarHBondContact O-N 2.74Å; I936-V973 HydrophobicContact CB-CG1 4.47Å; I936-V973 HydrophobicContact CB-CG2 4.12Å; I936-V973 HydrophobicContact CG2-CG1 3.59Å; I936-V973 HydrophobicContact CG2-CG2 4.13Å |
| 937 | Q | 97.1 | Very high | 91.5 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.3 | -51.5 | 174.2 | -80.5 | 158.9 | 76 | 0 | 0 | 111.4 | C933 V935 A939 L940 E941 V973 K976 | C933-Q937 VanDerWaalsContact C-NE2 3.29Å; C933-Q937 WeakPolarHBondContact O-CB 3.42Å; C933-Q937 WeakPolarHBondContact O-CG 3.24Å; C933-Q937 PolarHBondContact O-N 3.46Å; C933-Q937 PolarHBondContact O-NE2 3.44Å; V935-Q937 VanDerWaalsContact C-N 3.34Å; V935-Q937 PolarHBondContact O-N 3.32Å; Q937-A939 VanDerWaalsContact C-N 3.32Å; Q937-A939 PolarHBondContact O-N 3.22Å; Q937-L940 PolarHBondContact O-N 3.05Å; Q937-E941 WeakPolarHBondContact O-CG 3.36Å; Q937-E941 PolarHBondContact O-N 3.12Å; Q937-E941 VanDerWaalsContact O-N 3.14Å; Q937-V973 HydrophobicContact CG-CG2 4.43Å; Q937-K976 HydrophobicContact CB-CG 4.24Å; Q937-K976 HydrophobicContact CG-CB 3.94Å; Q937-K976 HydrophobicContact CG-CG 4.16Å |
| 938 | K | 96.4 | Very high | 90.7 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.8 | -30.2 | -179.1 | -168.1 | 57 | 167.6 | -177.6 | 0 | 113.4 | Q901 F904 E905 R934 V935 I936 E941 S942 | Q901-K938 HydrophobicContact CB-CB 4.45Å; Q901-K938 HydrophobicContact CB-CG 4.13Å; Q901-K938 HydrophobicContact CG-CB 3.82Å; Q901-K938 HydrophobicContact CG-CG 4.05Å; F904-K938 HydrophobicContact CB-CG 4Å; E905-K938 WeakPolarHBondContact OE1-CE 3.37Å; E905-K938 IonicContact OE1-NZ 3.15Å; E905-K938 PolarHBondContact OE1-NZ 2.88Å; R934-K938 WeakPolarHBondContact O-CB 3.48Å; R934-K938 PolarHBondContact O-N 3.32Å; V935-K938 PolarHBondContact O-N 2.8Å; I936-K938 PolarHBondContact O-N 2.98Å; K938-E941 WeakPolarHBondContact CD-OE2 3.37Å; K938-E941 IonicContact NZ-OE2 2.96Å; K938-S942 WeakPolarHBondContact O-CB 3.36Å; K938-S942 PolarHBondContact O-N 3.48Å; K938-S942 VanDerWaalsContact O-N 3.16Å; K938-S942 PolarHBondContact O-OG 3.16Å |
| 939 | A | 95.1 | Very high | 90 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -48.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | F904 I919 V935 I936 Q937 E941 S942 I943 | F904-A939 HydrophobicContact CD1-CB 4.18Å; F904-A939 HydrophobicContact CD2-CB 4.28Å; F904-A939 HydrophobicContact CE1-CB 3.9Å; F904-A939 HydrophobicContact CE2-CB 3.98Å; F904-A939 HydrophobicContact CG-CB 4.38Å; F904-A939 HydrophobicContact CZ-CB 3.78Å; I919-A939 HydrophobicContact CD1-CB 4.15Å; V935-A939 VanDerWaalsContact O-CB 3.32Å; V935-A939 WeakPolarHBondContact O-CB 3.44Å; V935-A939 PolarHBondContact O-N 3.27Å; I936-A939 PolarHBondContact O-N 3.11Å; Q937-A939 VanDerWaalsContact C-N 3.32Å; Q937-A939 PolarHBondContact O-N 3.22Å; A939-E941 VanDerWaalsContact C-N 3.29Å; A939-E941 PolarHBondContact O-N 2.91Å; A939-S942 PolarHBondContact O-N 2.98Å; A939-I943 HydrophobicContact CB-CD1 3.87Å; A939-I943 WeakPolarHBondContact O-CD1 3.26Å; A939-I943 VanDerWaalsContact O-CG1 3.24Å; A939-I943 WeakPolarHBondContact O-CG1 3.02Å; A939-I943 PolarHBondContact O-N 2.98Å |
| 940 | L | 93.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.5 | -39.3 | 175.6 | -67.6 | 168 | 0 | 0 | 0 | 112.2 | I936 Q937 S942 I950 I953 V954 V973 K976 V981 | I936-L940 HydrophobicContact CG2-CD1 4.19Å; I936-L940 WeakPolarHBondContact O-CG 3.48Å; I936-L940 PolarHBondContact O-N 2.74Å; Q937-L940 PolarHBondContact O-N 3.05Å; L940-S942 VanDerWaalsContact C-N 3.3Å; L940-S942 PolarHBondContact O-N 3.2Å; L940-I950 HydrophobicContact CD2-CG2 4.22Å; L940-I953 HydrophobicContact CD2-CG2 4.28Å; L940-V954 HydrophobicContact CD2-CG2 3.77Å; L940-V973 HydrophobicContact CD1-CG1 4.49Å; L940-K976 HydrophobicContact CB-CG 4.1Å; L940-K976 HydrophobicContact CD1-CB 4.22Å; L940-K976 HydrophobicContact CD1-CG 4.09Å; L940-V981 HydrophobicContact CD2-CG2 4.35Å |
| 941 | E | 92.9 | Very high | 88.7 | Confident | 79 Ų | 79 | 40 Ų | 40 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67 | -27.1 | 175.3 | -68.1 | 175.3 | 167.3 | 0 | 0 | 113.8 | Q937 K938 A939 K976 | Q937-E941 WeakPolarHBondContact O-CG 3.36Å; Q937-E941 PolarHBondContact O-N 3.12Å; Q937-E941 VanDerWaalsContact O-N 3.14Å; K938-E941 WeakPolarHBondContact CD-OE2 3.37Å; K938-E941 IonicContact NZ-OE2 2.96Å; A939-E941 VanDerWaalsContact C-N 3.29Å; A939-E941 PolarHBondContact O-N 2.91Å; E941-K976 HydrophobicContact CG-CD 3.8Å; E941-K976 HydrophobicContact CG-CG 4.47Å; E941-K976 WeakPolarHBondContact OE1-CE 3.49Å; E941-K976 IonicContact OE1-NZ 3.14Å; E941-K976 PolarHBondContact OE1-NZ 3.36Å |
| 942 | S | 90.3 | Very high | 88.1 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -115.3 | -7.5 | -162.4 | -50.7 | 0 | 0 | 0 | 0 | 115.9 | F904 K912 K938 A939 L940 | F904-S942 WeakPolarHBondContact O-CB 3.47Å; F904-S942 PolarHBondContact O-OG 3.44Å; K912-S942 WeakPolarHBondContact CD-O 3.46Å; K938-S942 WeakPolarHBondContact O-CB 3.36Å; K938-S942 PolarHBondContact O-N 3.48Å; K938-S942 VanDerWaalsContact O-N 3.16Å; K938-S942 PolarHBondContact O-OG 3.16Å; A939-S942 PolarHBondContact O-N 2.98Å; L940-S942 VanDerWaalsContact C-N 3.3Å; L940-S942 PolarHBondContact O-N 3.2Å |
| 943 | I | 85.8 | Confident | 87.6 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | trans | -103.7 | 15.9 | 177.7 | -53 | 158.7 | 0 | 0 | 0 | 110.5 | F904 A916 A939 S945 D946 V949 I950 I953 | F904-I943 HydrophobicContact CD1-CD1 4.36Å; F904-I943 HydrophobicContact CD1-CG1 4.28Å; F904-I943 HydrophobicContact CE1-CD1 3.82Å; F904-I943 HydrophobicContact CE1-CG1 4.15Å; A916-I943 HydrophobicContact CB-CD1 3.87Å; A939-I943 HydrophobicContact CB-CD1 3.87Å; A939-I943 WeakPolarHBondContact O-CD1 3.26Å; A939-I943 VanDerWaalsContact O-CG1 3.24Å; A939-I943 WeakPolarHBondContact O-CG1 3.02Å; A939-I943 PolarHBondContact O-N 2.98Å; I943-S945 PolarHBondContact O-N 2.8Å; I943-D946 HydrophobicContact CG2-CB 3.93Å; I943-D946 PolarHBondContact O-N 3.28Å; I943-V949 HydrophobicContact CG2-CB 4.21Å; I943-V949 HydrophobicContact CG2-CG1 4.14Å; I943-I950 HydrophobicContact CB-CD1 4.27Å; I943-I950 HydrophobicContact CB-CG1 4.11Å; I943-I950 HydrophobicContact CG2-CG1 4.24Å; I943-I950 WeakPolarHBondContact O-CD1 3.27Å; I943-I953 HydrophobicContact CD1-CD1 4.18Å | ||
| 944 | S | 67.7 | Low | 87.3 | Confident | 84 Ų | 84 | 38.6 Ų | 38.6 | 59% | 0.587 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -10.1 | -167 | 47.5 | 0 | 0 | 0 | 0 | 116.6 | ||
| 945 | S | 69.1 | Low | 87 | Confident | 99 Ų | 99 | 40.7 Ų | 40.7 | 69% | 0.692 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -36 | 166.8 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | I943 Q947 | I943-S945 PolarHBondContact O-N 2.8Å; S945-Q947 PolarHBondContact O-N 2.87Å |
| 946 | D | 78.5 | Confident | 86.9 | Confident | 74 Ų | 74 | 43 Ų | 43 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | trans | -101.7 | 69.4 | -169 | -71.5 | -82.8 | 0 | 0 | 0 | 110.6 | I943 Q948 V949 I950 | I943-D946 HydrophobicContact CG2-CB 3.93Å; I943-D946 PolarHBondContact O-N 3.28Å; D946-Q948 PolarHBondContact O-N 3.05Å; D946-V949 HydrophobicContact CB-CB 4.14Å; D946-V949 HydrophobicContact CB-CG2 3.98Å; D946-V949 PolarHBondContact O-N 3.36Å; D946-I950 PolarHBondContact O-N 2.9Å; D946-I950 VanDerWaalsContact O-N 3.14Å | ||
| 947 | Q | 74.9 | Confident | 86.8 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 24% | 0.238 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -51.1 | -34.3 | -176.9 | -173.7 | 60.1 | 74 | 0 | 0 | 113.2 | S945 S951 | S945-Q947 PolarHBondContact O-N 2.87Å; Q947-S951 PolarHBondContact NE2-OG 3.43Å; Q947-S951 WeakPolarHBondContact O-CB 3.48Å; Q947-S951 PolarHBondContact O-N 3.09Å; Q947-S951 PolarHBondContact O-OG 2.98Å |
| 948 | Q | 81.4 | Confident | 86.7 | Confident | 130 Ų | 130 | 46 Ų | 46 | 61% | 0.607 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.2 | -39.9 | 176.2 | -178.1 | 58.4 | 46.3 | 0 | 0 | 112.9 | D946 S951 D952 | D946-Q948 PolarHBondContact O-N 3.05Å; Q948-S951 PolarHBondContact O-N 3.27Å; Q948-D952 PolarHBondContact O-N 3.49Å |
| 949 | V | 82.5 | Confident | 86.6 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.3 | -40.8 | 179.8 | 178.8 | 0 | 0 | 0 | 0 | 110 | L913 A916 I943 D946 D952 I953 | L913-V949 HydrophobicContact CD1-CG1 4.43Å; L913-V949 HydrophobicContact CD1-CG2 3.79Å; A916-V949 HydrophobicContact CB-CG1 3.74Å; I943-V949 HydrophobicContact CG2-CB 4.21Å; I943-V949 HydrophobicContact CG2-CG1 4.14Å; D946-V949 HydrophobicContact CB-CB 4.14Å; D946-V949 HydrophobicContact CB-CG2 3.98Å; D946-V949 PolarHBondContact O-N 3.36Å; V949-D952 PolarHBondContact O-N 2.88Å; V949-I953 HydrophobicContact CG1-CD1 4.21Å; V949-I953 WeakPolarHBondContact O-CG1 3.48Å; V949-I953 PolarHBondContact O-N 2.89Å |
| 950 | I | 84.3 | Confident | 86.7 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 171.8 | -73.7 | -179.9 | 0 | 0 | 0 | 110.8 | L940 I943 D946 D952 I953 V954 V981 | L940-I950 HydrophobicContact CD2-CG2 4.22Å; I943-I950 HydrophobicContact CB-CD1 4.27Å; I943-I950 HydrophobicContact CB-CG1 4.11Å; I943-I950 HydrophobicContact CG2-CG1 4.24Å; I943-I950 WeakPolarHBondContact O-CD1 3.27Å; D946-I950 PolarHBondContact O-N 2.9Å; D946-I950 VanDerWaalsContact O-N 3.14Å; I950-D952 VanDerWaalsContact C-N 3.32Å; I950-D952 PolarHBondContact O-N 2.89Å; I950-I953 PolarHBondContact O-N 3.05Å; I950-V954 HydrophobicContact CG2-CG2 4.23Å; I950-V954 WeakPolarHBondContact O-CB 3.49Å; I950-V954 VanDerWaalsContact O-CG2 3.27Å; I950-V954 WeakPolarHBondContact O-CG2 3.23Å; I950-V954 PolarHBondContact O-N 3.42Å; I950-V981 HydrophobicContact CG2-CB 4.25Å; I950-V981 HydrophobicContact CG2-CG1 3.78Å; I950-V981 HydrophobicContact CG2-CG2 3.51Å |
| 951 | S | 84.4 | Confident | 86.9 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 22% | 0.217 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 179 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | Q947 Q948 R955 | Q947-S951 PolarHBondContact NE2-OG 3.43Å; Q947-S951 WeakPolarHBondContact O-CB 3.48Å; Q947-S951 PolarHBondContact O-N 3.09Å; Q947-S951 PolarHBondContact O-OG 2.98Å; Q948-S951 PolarHBondContact O-N 3.27Å; S951-R955 WeakPolarHBondContact O-CB 3.41Å; S951-R955 PolarHBondContact O-N 3Å |
| 952 | D | 86.2 | Confident | 87.1 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 173.4 | -91 | -13 | 0 | 0 | 0 | 112.6 | R920 Q948 V949 I950 R955 | R920-D952 IonicContact CZ-OD2 3.72Å; R920-D952 IonicContact NH1-OD2 3.19Å; R920-D952 PolarHBondContact NH1-OD2 3.14Å; R920-D952 IonicContact NH2-OD1 3.17Å; R920-D952 IonicContact NH2-OD2 2.81Å; R920-D952 PolarHBondContact NH2-OD2 3.41Å; Q948-D952 PolarHBondContact O-N 3.49Å; V949-D952 PolarHBondContact O-N 2.88Å; I950-D952 VanDerWaalsContact C-N 3.32Å; I950-D952 PolarHBondContact O-N 2.89Å; D952-R955 IonicContact OD1-CZ 2.73Å; D952-R955 IonicContact OD1-NE 3.12Å; D952-R955 IonicContact OD1-NH2 2.74Å; D952-R955 PolarHBondContact OD1-NH2 3.17Å |
| 953 | I | 87.9 | Confident | 87.4 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 174.6 | -75.1 | 169.2 | 0 | 0 | 0 | 110.9 | A916 V923 L940 I943 V949 I950 R955 E956 | A916-I953 HydrophobicContact CB-CD1 4.2Å; V923-I953 HydrophobicContact CG1-CG2 4.13Å; V923-I953 HydrophobicContact CG2-CB 4.35Å; V923-I953 HydrophobicContact CG2-CG1 4.44Å; V923-I953 HydrophobicContact CG2-CG2 3.9Å; L940-I953 HydrophobicContact CD2-CG2 4.28Å; I943-I953 HydrophobicContact CD1-CD1 4.18Å; V949-I953 HydrophobicContact CG1-CD1 4.21Å; V949-I953 WeakPolarHBondContact O-CG1 3.48Å; V949-I953 PolarHBondContact O-N 2.89Å; I950-I953 PolarHBondContact O-N 3.05Å; I953-R955 VanDerWaalsContact C-N 3.33Å; I953-R955 PolarHBondContact O-N 2.87Å; I953-E956 PolarHBondContact O-N 2.84Å |
| 954 | V | 91.1 | Very high | 88 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -36.1 | -176.8 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | L940 I950 E956 L957 C977 V981 L986 F988 | L940-V954 HydrophobicContact CD2-CG2 3.77Å; I950-V954 HydrophobicContact CG2-CG2 4.23Å; I950-V954 WeakPolarHBondContact O-CB 3.49Å; I950-V954 VanDerWaalsContact O-CG2 3.27Å; I950-V954 WeakPolarHBondContact O-CG2 3.23Å; I950-V954 PolarHBondContact O-N 3.42Å; V954-E956 PolarHBondContact O-N 3.31Å; V954-L957 WeakPolarHBondContact O-CB 3.43Å; V954-L957 PolarHBondContact O-N 3.27Å; V954-C977 HydrophobicContact CG1-CB 4.48Å; V954-C977 HydrophobicContact CG2-CB 4.46Å; V954-V981 HydrophobicContact CG2-CG2 4.1Å; V954-L986 HydrophobicContact CG1-CD2 3.9Å; V954-F988 HydrophobicContact CG1-CE1 3.8Å; V954-F988 HydrophobicContact CG1-CZ 3.7Å; V954-F988 WeakPolarHBondContact O-CZ 3.29Å |
| 955 | R | 92.3 | Very high | 89.5 | Confident | 153 Ų | 153 | 50.8 Ų | 50.8 | 58% | 0.577 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67.8 | -17.2 | 178.4 | -172.8 | 165.2 | 61.1 | 120.7 | -3.9 | 114.1 | S951 D952 I953 L957 D958 | S951-R955 WeakPolarHBondContact O-CB 3.41Å; S951-R955 PolarHBondContact O-N 3Å; D952-R955 IonicContact OD1-CZ 2.73Å; D952-R955 IonicContact OD1-NE 3.12Å; D952-R955 IonicContact OD1-NH2 2.74Å; D952-R955 PolarHBondContact OD1-NH2 3.17Å; I953-R955 VanDerWaalsContact C-N 3.33Å; I953-R955 PolarHBondContact O-N 2.87Å; R955-L957 PolarHBondContact O-N 3.13Å; R955-D958 VanDerWaalsContact O-CB 3.28Å; R955-D958 WeakPolarHBondContact O-CB 3.24Å; R955-D958 PolarHBondContact O-N 2.72Å |
| 956 | E | 95.1 | Very high | 90.8 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -7.4 | 167.9 | -74.7 | -178 | -142.4 | 0 | 0 | 113.8 | R920 G921 H922 V923 I953 V954 | R920-E956 VanDerWaalsContact CA-OE1 3.3Å; R920-E956 WeakPolarHBondContact CA-OE1 3.4Å; R920-E956 VanDerWaalsContact CG-OE1 3.28Å; R920-E956 WeakPolarHBondContact CG-OE1 3.46Å; G921-E956 WeakPolarHBondContact CA-OE2 3.36Å; G921-E956 PolarHBondContact N-OE1 2.91Å; G921-E956 PolarHBondContact N-OE2 3.35Å; H922-E956 PolarHBondContact N-OE2 3.49Å; V923-E956 HydrophobicContact CB-CB 3.75Å; V923-E956 HydrophobicContact CB-CG 4.5Å; V923-E956 WeakPolarHBondContact CB-OE2 3.21Å; V923-E956 HydrophobicContact CG1-CB 4.45Å; V923-E956 HydrophobicContact CG2-CB 4Å; V923-E956 HydrophobicContact CG2-CG 4.3Å; V923-E956 VanDerWaalsContact CG2-OE2 3.26Å; V923-E956 WeakPolarHBondContact CG2-OE2 3.38Å; V923-E956 PolarHBondContact N-OE2 3.44Å; V923-E956 VanDerWaalsContact N-OE2 3.08Å; I953-E956 PolarHBondContact O-N 2.84Å; V954-E956 PolarHBondContact O-N 3.31Å |
| 957 | L | 95.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -4.6 | 171.3 | -56.7 | 179.2 | 0 | 0 | 0 | 112.9 | V923 L924 A927 V954 R955 H960 V961 V973 F988 | V923-L957 HydrophobicContact CG1-CD2 3.9Å; V923-L957 HydrophobicContact CG1-CG 4.14Å; L924-L957 HydrophobicContact CB-CD2 4.48Å; L924-L957 HydrophobicContact CD1-CD2 4.45Å; A927-L957 HydrophobicContact CB-CD2 4.29Å; V954-L957 WeakPolarHBondContact O-CB 3.43Å; V954-L957 PolarHBondContact O-N 3.27Å; R955-L957 PolarHBondContact O-N 3.13Å; L957-H960 CarbonylContact O-C 3.4Å; L957-H960 WeakPolarHBondContact O-CA 3.3Å; L957-H960 PolarHBondContact O-N 3.14Å; L957-H960 VanDerWaalsContact O-N 3.08Å; L957-V961 PolarHBondContact O-N 2.99Å; L957-V973 HydrophobicContact CD1-CG1 3.9Å; L957-F988 HydrophobicContact CB-CE2 4.43Å |
| 958 | D | 95.6 | Very high | 92.8 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 148.3 | 175.7 | -163.4 | 4.1 | 0 | 0 | 0 | 111.2 | R955 H960 F988 | R955-D958 VanDerWaalsContact O-CB 3.28Å; R955-D958 WeakPolarHBondContact O-CB 3.24Å; R955-D958 PolarHBondContact O-N 2.72Å; D958-H960 PolarHBondContact O-N 3.41Å; D958-F988 HydrophobicContact CB-CD2 3.7Å; D958-F988 HydrophobicContact CB-CE2 3.94Å; D958-F988 HydrophobicContact CB-CG 4.29Å; D958-F988 WeakPolarHBondContact OD1-CD2 3.32Å |
| 959 | G | 95.1 | Very high | 93.6 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 71% | 0.711 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | -2.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 960 | H | 97.1 | Very high | 94.4 | Very high | 86 Ų | 86 | 44.2 Ų | 44.2 | 40% | 0.398 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -2.7 | -172.6 | -61.8 | -33.7 | 0 | 0 | 0 | 114.4 | L924 L957 D958 L962 K963 C964 | L924-H960 HydrophobicContact CD1-CB 3.96Å; L924-H960 HydrophobicContact CD2-CB 4.31Å; L957-H960 CarbonylContact O-C 3.4Å; L957-H960 WeakPolarHBondContact O-CA 3.3Å; L957-H960 PolarHBondContact O-N 3.14Å; L957-H960 VanDerWaalsContact O-N 3.08Å; D958-H960 PolarHBondContact O-N 3.41Å; H960-L962 PolarHBondContact O-N 3.28Å; H960-K963 VanDerWaalsContact O-CB 3.31Å; H960-K963 WeakPolarHBondContact O-CB 3.45Å; H960-K963 PolarHBondContact O-N 3.47Å; H960-C964 PolarHBondContact O-N 3.45Å; H960-C964 VanDerWaalsContact O-N 3.15Å |
| 961 | V | 97.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -43.9 | -56.7 | 179.4 | 179 | 0 | 0 | 0 | 0 | 112.8 | L957 K963 C964 V965 F988 I989 A992 F993 | L957-V961 PolarHBondContact O-N 2.99Å; V961-K963 PolarHBondContact O-N 2.85Å; V961-C964 PolarHBondContact O-N 3.22Å; V961-V965 HydrophobicContact CG1-CG2 4Å; V961-V965 VanDerWaalsContact O-CG2 3.28Å; V961-V965 WeakPolarHBondContact O-CG2 3.38Å; V961-V965 PolarHBondContact O-N 3.5Å; V961-F988 HydrophobicContact CG2-CD2 3.59Å; V961-F988 HydrophobicContact CG2-CE2 3.49Å; V961-F988 VanDerWaalsContact CG2-CE2 3.49Å; V961-I989 HydrophobicContact CG1-CB 4.4Å; V961-I989 HydrophobicContact CG1-CG2 3.87Å; V961-I989 HydrophobicContact CG2-CG1 4.21Å; V961-A992 HydrophobicContact CB-CB 3.77Å; V961-A992 HydrophobicContact CG1-CB 3.98Å; V961-A992 HydrophobicContact CG2-CB 4.14Å; V961-F993 HydrophobicContact CG1-CD2 4.3Å; V961-F993 HydrophobicContact CG1-CE2 3.85Å |
| 962 | L | 96.7 | Very high | 95.7 | Very high | 55 Ų | 55 | 45.1 Ų | 45.1 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.7 | -27.7 | -176.9 | -72.1 | 177.2 | 0 | 0 | 0 | 113.9 | H960 K966 A992 Q996 L1000 | H960-L962 PolarHBondContact O-N 3.28Å; L962-K966 WeakPolarHBondContact O-CB 3.41Å; L962-K966 WeakPolarHBondContact O-CG 3.42Å; L962-K966 PolarHBondContact O-N 3.23Å; L962-A992 WeakPolarHBondContact CD2-O 3.49Å; L962-A992 WeakPolarHBondContact CG-O 3.39Å; L962-Q996 HydrophobicContact CD1-CG 4.14Å; L962-Q996 HydrophobicContact CD2-CB 4.46Å; L962-Q996 HydrophobicContact CD2-CG 4.3Å; L962-L1000 HydrophobicContact CD2-CD1 3.81Å; L962-L1000 HydrophobicContact CD2-CD2 4.27Å |
| 963 | K | 97.6 | Very high | 96.3 | Very high | 120 Ų | 120 | 44.2 Ų | 44.2 | 52% | 0.522 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.6 | -45.2 | 173.8 | -176.4 | -174.2 | 178.9 | -173.2 | 0 | 110.4 | L928 H960 V961 K966 D967 | L928-K963 HydrophobicContact CD1-CD 4.28Å; H960-K963 VanDerWaalsContact O-CB 3.31Å; H960-K963 WeakPolarHBondContact O-CB 3.45Å; H960-K963 PolarHBondContact O-N 3.47Å; V961-K963 PolarHBondContact O-N 2.85Å; K963-K966 PolarHBondContact O-N 2.93Å; K963-D967 WeakPolarHBondContact O-CB 3.39Å; K963-D967 PolarHBondContact O-N 3.28Å |
| 964 | C | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | 177.2 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | L924 H960 V961 K966 D967 G970 N971 V974 | L924-C964 WeakPolarHBondContact CD1-SG 3.28Å; H960-C964 PolarHBondContact O-N 3.45Å; H960-C964 VanDerWaalsContact O-N 3.15Å; V961-C964 PolarHBondContact O-N 3.22Å; C964-K966 PolarHBondContact O-N 3.37Å; C964-D967 PolarHBondContact O-N 3.15Å; C964-G970 CarbonylContact O-C 3.07Å; C964-G970 WeakPolarHBondContact O-CA 3.31Å; C964-N971 PolarHBondContact O-N 3.4Å; C964-V974 HydrophobicContact CB-CG2 3.62Å |
| 965 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -32.8 | 179.2 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | V961 V974 F993 L1000 Y1005 V1009 | V961-V965 HydrophobicContact CG1-CG2 4Å; V961-V965 VanDerWaalsContact O-CG2 3.28Å; V961-V965 WeakPolarHBondContact O-CG2 3.38Å; V961-V965 PolarHBondContact O-N 3.5Å; V965-V974 HydrophobicContact CG2-CB 4.33Å; V965-V974 HydrophobicContact CG2-CG1 3.98Å; V965-V974 HydrophobicContact CG2-CG2 4.17Å; V965-F993 HydrophobicContact CG1-CZ 3.97Å; V965-F993 HydrophobicContact CG2-CE2 3.75Å; V965-F993 HydrophobicContact CG2-CZ 3.77Å; V965-L1000 HydrophobicContact CG1-CD2 3.8Å; V965-Y1005 WeakPolarHBondContact O-CB 3.49Å; V965-V1009 HydrophobicContact CG1-CB 4.34Å; V965-V1009 HydrophobicContact CG1-CG2 4.03Å; V965-V1009 HydrophobicContact CG2-CG1 4.26Å; V965-V1009 HydrophobicContact CG2-CG2 4.24Å |
| 966 | K | 96.9 | Very high | 97.3 | Very high | 78 Ų | 78 | 38.7 Ų | 38.7 | 34% | 0.339 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -89.7 | -5.3 | 178.1 | -65.7 | 175.8 | -175.5 | 174.7 | 0 | 113.4 | L962 K963 C964 L1000 | L962-K966 WeakPolarHBondContact O-CB 3.41Å; L962-K966 WeakPolarHBondContact O-CG 3.42Å; L962-K966 PolarHBondContact O-N 3.23Å; K963-K966 PolarHBondContact O-N 2.93Å; C964-K966 PolarHBondContact O-N 3.37Å; K966-L1000 VanDerWaalsContact CE-CD2 3.49Å; K966-L1000 HydrophobicContact CG-CD2 4.31Å |
| 967 | D | 98.4 | Very high | 97.3 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -92.2 | 147.3 | 176.6 | 177.9 | -108.6 | 0 | 0 | 0 | 113.3 | L928 K963 C964 N969 G970 N971 | L928-D967 HydrophobicContact CD2-CB 3.55Å; L928-D967 WeakPolarHBondContact CD2-OD1 3.48Å; K963-D967 WeakPolarHBondContact O-CB 3.39Å; K963-D967 PolarHBondContact O-N 3.28Å; C964-D967 PolarHBondContact O-N 3.15Å; D967-N969 VanDerWaalsContact C-N 3.28Å; D967-N969 PolarHBondContact O-N 3.28Å; D967-N969 WeakPolarHBondContact OD1-CA 3.38Å; D967-N969 WeakPolarHBondContact OD1-CB 3.49Å; D967-N969 PolarHBondContact OD1-N 2.85Å; D967-G970 PolarHBondContact OD1-N 3Å; D967-N971 WeakPolarHBondContact O-CB 3.19Å; D967-N971 PolarHBondContact O-N 3.17Å; D967-N971 PolarHBondContact O-ND2 2.79Å |
| 968 | Q | 97.6 | Very high | 97.3 | Very high | 113 Ų | 113 | 36.6 Ų | 36.6 | 53% | 0.528 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -25.5 | -178.5 | 64.5 | 178.2 | -10.2 | 0 | 0 | 114.3 | N971 H972 Y1005 | Q968-N971 VanDerWaalsContact C-ND2 3.26Å; Q968-N971 PolarHBondContact O-ND2 3.14Å; Q968-H972 PolarHBondContact O-CD2 3.43Å; Q968-Y1005 HydrophobicContact CB-CE2 3.98Å |
| 969 | N | 98.2 | Very high | 97.3 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 9% | 0.086 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -46.1 | 177.7 | -60 | -49.8 | 0 | 0 | 0 | 110.6 | A927 L928 C933 D967 N971 H972 | A927-N969 CarbonylContact O-C 3.6Å; A927-N969 WeakPolarHBondContact O-CB 3.16Å; L928-N969 PolarHBondContact O-ND2 3.39Å; C933-N969 HydrophobicContact CB-CB 3.94Å; D967-N969 VanDerWaalsContact C-N 3.28Å; D967-N969 PolarHBondContact O-N 3.28Å; D967-N969 WeakPolarHBondContact OD1-CA 3.38Å; D967-N969 WeakPolarHBondContact OD1-CB 3.49Å; D967-N969 PolarHBondContact OD1-N 2.85Å; N969-N971 VanDerWaalsContact C-N 3.29Å; N969-N971 PolarHBondContact O-N 2.9Å; N969-H972 WeakPolarHBondContact O-CB 3.4Å; N969-H972 PolarHBondContact O-N 3.02Å; N969-H972 VanDerWaalsContact O-N 3.12Å |
| 970 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.2 | -34.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A927 C964 D967 H972 V973 V974 | A927-G970 WeakPolarHBondContact O-CA 3.46Å; A927-G970 PolarHBondContact O-N 3.35Å; C964-G970 CarbonylContact O-C 3.07Å; C964-G970 WeakPolarHBondContact O-CA 3.31Å; D967-G970 PolarHBondContact OD1-N 3Å; G970-H972 PolarHBondContact O-N 3.04Å; G970-V973 PolarHBondContact O-N 3.19Å; G970-V974 WeakPolarHBondContact O-CG2 3.13Å; G970-V974 PolarHBondContact O-N 3.04Å |
| 971 | N | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -34.2 | 179.1 | 77.1 | 95.2 | 0 | 0 | 0 | 112 | C964 D967 Q968 N969 V974 Q975 Y1005 V1009 | C964-N971 PolarHBondContact O-N 3.4Å; D967-N971 WeakPolarHBondContact O-CB 3.19Å; D967-N971 PolarHBondContact O-N 3.17Å; D967-N971 PolarHBondContact O-ND2 2.79Å; Q968-N971 VanDerWaalsContact C-ND2 3.26Å; Q968-N971 PolarHBondContact O-ND2 3.14Å; N969-N971 VanDerWaalsContact C-N 3.29Å; N969-N971 PolarHBondContact O-N 2.9Å; N971-V974 PolarHBondContact O-N 2.99Å; N971-Q975 VanDerWaalsContact C-NE2 3.25Å; N971-Q975 WeakPolarHBondContact O-CB 3.41Å; N971-Q975 WeakPolarHBondContact O-CG 3.42Å; N971-Q975 PolarHBondContact O-N 2.96Å; N971-Q975 PolarHBondContact O-NE2 3.46Å; N971-Q975 PolarHBondContact OD1-NE2 3.06Å; N971-Y1005 HydrophobicContact CB-CG 4.44Å; N971-V1009 HydrophobicContact CB-CG2 4.43Å |
| 972 | H | 98.3 | Very high | 96.5 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 24% | 0.241 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.4 | -31.5 | 177.9 | -68.7 | -66.4 | 0 | 0 | 0 | 112.3 | Q968 N969 G970 K976 | Q968-H972 PolarHBondContact O-CD2 3.43Å; N969-H972 WeakPolarHBondContact O-CB 3.4Å; N969-H972 PolarHBondContact O-N 3.02Å; N969-H972 VanDerWaalsContact O-N 3.12Å; G970-H972 PolarHBondContact O-N 3.04Å; H972-K976 WeakPolarHBondContact O-CB 3.35Å; H972-K976 PolarHBondContact O-N 3.09Å; H972-K976 VanDerWaalsContact O-N 3.09Å |
| 973 | V | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.5 | -46.6 | 171.4 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | A927 C933 I936 Q937 L940 L957 G970 Q975 K976 C977 | A927-V973 HydrophobicContact CB-CB 4.12Å; A927-V973 HydrophobicContact CB-CG1 4.09Å; A927-V973 HydrophobicContact CB-CG2 3.86Å; C933-V973 HydrophobicContact CB-CG2 3.96Å; I936-V973 HydrophobicContact CB-CG1 4.47Å; I936-V973 HydrophobicContact CB-CG2 4.12Å; I936-V973 HydrophobicContact CG2-CG1 3.59Å; I936-V973 HydrophobicContact CG2-CG2 4.13Å; Q937-V973 HydrophobicContact CG-CG2 4.43Å; L940-V973 HydrophobicContact CD1-CG1 4.49Å; L957-V973 HydrophobicContact CD1-CG1 3.9Å; G970-V973 PolarHBondContact O-N 3.19Å; V973-Q975 PolarHBondContact O-N 3.46Å; V973-K976 CarbonylContact O-C 3.55Å; V973-K976 WeakPolarHBondContact O-CA 3.2Å; V973-K976 PolarHBondContact O-N 3.14Å; V973-C977 PolarHBondContact O-N 3.43Å; V973-C977 PolarHBondContact O-SG 3.05Å |
| 974 | V | 98 | Very high | 95.9 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 179.3 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | C964 V965 G970 N971 K976 C977 I978 I989 V1009 | C964-V974 HydrophobicContact CB-CG2 3.62Å; V965-V974 HydrophobicContact CG2-CB 4.33Å; V965-V974 HydrophobicContact CG2-CG1 3.98Å; V965-V974 HydrophobicContact CG2-CG2 4.17Å; G970-V974 WeakPolarHBondContact O-CG2 3.13Å; G970-V974 PolarHBondContact O-N 3.04Å; N971-V974 PolarHBondContact O-N 2.99Å; V974-K976 VanDerWaalsContact C-N 3.31Å; V974-K976 PolarHBondContact O-N 3.39Å; V974-C977 WeakPolarHBondContact O-CB 3.14Å; V974-C977 PolarHBondContact O-N 2.81Å; V974-I978 HydrophobicContact CG1-CD1 4.11Å; V974-I978 WeakPolarHBondContact O-CD1 3.03Å; V974-I978 WeakPolarHBondContact O-CG1 3.48Å; V974-I978 PolarHBondContact O-N 2.87Å; V974-I978 VanDerWaalsContact O-N 3.14Å; V974-I989 HydrophobicContact CG1-CD1 4.37Å; V974-I989 HydrophobicContact CG1-CG2 4.11Å; V974-V1009 HydrophobicContact CB-CG1 4.49Å; V974-V1009 HydrophobicContact CG1-CG1 3.65Å |
| 975 | Q | 98.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.5 | -45.8 | 170.3 | -78.1 | 162.2 | 95.9 | 0 | 0 | 111.2 | N971 V973 C977 I978 E979 V1009 R1012 | N971-Q975 VanDerWaalsContact C-NE2 3.25Å; N971-Q975 WeakPolarHBondContact O-CB 3.41Å; N971-Q975 WeakPolarHBondContact O-CG 3.42Å; N971-Q975 PolarHBondContact O-N 2.96Å; N971-Q975 PolarHBondContact O-NE2 3.46Å; N971-Q975 PolarHBondContact OD1-NE2 3.06Å; V973-Q975 PolarHBondContact O-N 3.46Å; Q975-C977 PolarHBondContact O-N 3.32Å; Q975-I978 PolarHBondContact O-N 3.04Å; Q975-I978 VanDerWaalsContact O-N 3.11Å; Q975-E979 WeakPolarHBondContact O-CG 3.44Å; Q975-E979 PolarHBondContact O-N 3.16Å; Q975-V1009 HydrophobicContact CG-CG2 4.15Å; Q975-R1012 HydrophobicContact CB-CG 3.92Å; Q975-R1012 HydrophobicContact CG-CG 3.69Å |
| 976 | K | 96.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 13% | 0.13 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.8 | -31.5 | -180 | -168 | 58.8 | 60 | 173.5 | 0 | 113.8 | Q937 L940 E941 H972 V973 V974 I978 E979 C980 | Q937-K976 HydrophobicContact CB-CG 4.24Å; Q937-K976 HydrophobicContact CG-CB 3.94Å; Q937-K976 HydrophobicContact CG-CG 4.16Å; L940-K976 HydrophobicContact CB-CG 4.1Å; L940-K976 HydrophobicContact CD1-CB 4.22Å; L940-K976 HydrophobicContact CD1-CG 4.09Å; E941-K976 HydrophobicContact CG-CD 3.8Å; E941-K976 HydrophobicContact CG-CG 4.47Å; E941-K976 WeakPolarHBondContact OE1-CE 3.49Å; E941-K976 IonicContact OE1-NZ 3.14Å; E941-K976 PolarHBondContact OE1-NZ 3.36Å; H972-K976 WeakPolarHBondContact O-CB 3.35Å; H972-K976 PolarHBondContact O-N 3.09Å; H972-K976 VanDerWaalsContact O-N 3.09Å; V973-K976 CarbonylContact O-C 3.55Å; V973-K976 WeakPolarHBondContact O-CA 3.2Å; V973-K976 PolarHBondContact O-N 3.14Å; V974-K976 VanDerWaalsContact C-N 3.31Å; V974-K976 PolarHBondContact O-N 3.39Å; K976-I978 VanDerWaalsContact C-N 3.3Å; K976-E979 HydrophobicContact CD-CB 4.43Å; K976-E979 WeakPolarHBondContact CE-OE2 3.34Å; K976-E979 IonicContact NZ-OE2 3.23Å; K976-E979 PolarHBondContact NZ-OE2 3.2Å; K976-E979 PolarHBondContact O-N 2.66Å; K976-C980 WeakPolarHBondContact CD-SG 3.26Å; K976-C980 WeakPolarHBondContact O-CB 3.47Å; K976-C980 PolarHBondContact O-N 2.73Å; K976-C980 VanDerWaalsContact O-N 3.1Å |
| 977 | C | 95.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -44.6 | 168.7 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | V954 V973 V974 Q975 V981 L986 I989 | V954-C977 HydrophobicContact CG1-CB 4.48Å; V954-C977 HydrophobicContact CG2-CB 4.46Å; V973-C977 PolarHBondContact O-N 3.43Å; V973-C977 PolarHBondContact O-SG 3.05Å; V974-C977 WeakPolarHBondContact O-CB 3.14Å; V974-C977 PolarHBondContact O-N 2.81Å; Q975-C977 PolarHBondContact O-N 3.32Å; C977-V981 WeakPolarHBondContact O-CB 3.45Å; C977-V981 WeakPolarHBondContact O-CG2 3.4Å; C977-V981 PolarHBondContact O-N 3.4Å; C977-V981 VanDerWaalsContact O-N 3.15Å; C977-L986 HydrophobicContact CB-CD2 4.21Å; C977-I989 HydrophobicContact CB-CD1 4.36Å |
| 978 | I | 95.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.3 | -35.8 | -179.9 | -61.5 | 155.6 | 0 | 0 | 0 | 112.3 | V974 Q975 K976 L986 V1009 R1012 I1013 H1016 | V974-I978 HydrophobicContact CG1-CD1 4.11Å; V974-I978 WeakPolarHBondContact O-CD1 3.03Å; V974-I978 WeakPolarHBondContact O-CG1 3.48Å; V974-I978 PolarHBondContact O-N 2.87Å; V974-I978 VanDerWaalsContact O-N 3.14Å; Q975-I978 PolarHBondContact O-N 3.04Å; Q975-I978 VanDerWaalsContact O-N 3.11Å; K976-I978 VanDerWaalsContact C-N 3.3Å; I978-L986 HydrophobicContact CB-CD1 4.41Å; I978-L986 HydrophobicContact CG1-CD1 4.25Å; I978-V1009 HydrophobicContact CD1-CG1 3.59Å; I978-R1012 HydrophobicContact CB-CB 4.09Å; I978-R1012 HydrophobicContact CD1-CB 4.14Å; I978-R1012 HydrophobicContact CG2-CB 3.76Å; I978-R1012 VanDerWaalsContact CG2-O 3.26Å; I978-R1012 WeakPolarHBondContact CG2-O 3.37Å; I978-I1013 HydrophobicContact CD1-CG1 3.79Å; I978-H1016 HydrophobicContact CG2-CB 3.77Å; I978-H1016 WeakPolarHBondContact O-CB 3.48Å |
| 979 | E | 94.9 | Very high | 95 | Very high | 68 Ų | 68 | 31.5 Ų | 31.5 | 32% | 0.318 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -71 | -30.6 | 177.4 | -71.8 | 166.5 | -150.7 | 0 | 0 | 114.1 | Q975 K976 | Q975-E979 WeakPolarHBondContact O-CG 3.44Å; Q975-E979 PolarHBondContact O-N 3.16Å; K976-E979 HydrophobicContact CD-CB 4.43Å; K976-E979 WeakPolarHBondContact CE-OE2 3.34Å; K976-E979 IonicContact NZ-OE2 3.23Å; K976-E979 PolarHBondContact NZ-OE2 3.2Å; K976-E979 PolarHBondContact O-N 2.66Å |
| 980 | C | 92.1 | Very high | 94.9 | Very high | 49 Ų | 49 | 30.8 Ų | 30.8 | 33% | 0.331 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -120.8 | -1 | -165.4 | -64.7 | 0 | 0 | 0 | 0 | 116 | K976 | K976-C980 WeakPolarHBondContact CD-SG 3.26Å; K976-C980 WeakPolarHBondContact O-CB 3.47Å; K976-C980 PolarHBondContact O-N 2.73Å; K976-C980 VanDerWaalsContact O-N 3.1Å |
| 981 | V | 91.1 | Very high | 94.7 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -126.8 | 142 | -170.9 | -171.4 | 0 | 0 | 0 | 0 | 110.6 | L940 I950 V954 C977 A985 L986 | L940-V981 HydrophobicContact CD2-CG2 4.35Å; I950-V981 HydrophobicContact CG2-CB 4.25Å; I950-V981 HydrophobicContact CG2-CG1 3.78Å; I950-V981 HydrophobicContact CG2-CG2 3.51Å; V954-V981 HydrophobicContact CG2-CG2 4.1Å; C977-V981 WeakPolarHBondContact O-CB 3.45Å; C977-V981 WeakPolarHBondContact O-CG2 3.4Å; C977-V981 PolarHBondContact O-N 3.4Å; C977-V981 VanDerWaalsContact O-N 3.15Å; V981-A985 HydrophobicContact CG1-CB 4.16Å; V981-L986 HydrophobicContact CB-CD1 4.48Å; V981-L986 HydrophobicContact CB-CD2 4.06Å; V981-L986 HydrophobicContact CB-CG 4.45Å; V981-L986 HydrophobicContact CG1-CD2 4.13Å |
| 982 | Q | 89.7 | Confident | 94.6 | Very high | 109 Ų | 109 | 35.8 Ų | 35.8 | 51% | 0.509 | 19% | 0.189 | S | C | . | . | trans | -56.2 | 127.1 | -179.3 | -70 | -177.6 | 54.6 | 0 | 0 | 111.1 | Q984 A985 | Q982-Q984 PolarHBondContact O-N 2.98Å; Q982-A985 PolarHBondContact O-N 2.69Å | ||
| 983 | P | 91.4 | Very high | 94.4 | Very high | 30 Ų | 30 | 33.3 Ų | 33.3 | 20% | 0.195 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -55.9 | -27.9 | -170.5 | -29.5 | 35.7 | 0 | 0 | 0 | 115.4 | A985 L986 H1016 T1018 Q1021 | P983-A985 PolarHBondContact O-N 2.83Å; P983-L986 WeakPolarHBondContact O-CB 3.48Å; P983-L986 PolarHBondContact O-N 3.16Å; P983-H1016 WeakPolarHBondContact CG-O 3.49Å; P983-T1018 HydrophobicContact CB-CG2 3.97Å; P983-Q1021 VanDerWaalsContact CB-OE1 3.25Å; P983-Q1021 PolarHBondContact O-NE2 2.99Å |
| 984 | Q | 90.2 | Very high | 94 | Very high | 134 Ų | 134 | 38.6 Ų | 38.6 | 63% | 0.626 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -59.8 | -32.6 | 176.1 | -62.5 | 79.2 | 3.3 | 0 | 0 | 112.6 | Q982 L986 | Q982-Q984 PolarHBondContact O-N 2.98Å; Q984-L986 VanDerWaalsContact C-N 3.27Å; Q984-L986 PolarHBondContact O-N 3.32Å |
| 985 | A | 90.6 | Very high | 93.5 | Very high | 35 Ų | 35 | 40.7 Ų | 40.7 | 29% | 0.289 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -80.7 | -5.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V981 Q982 P983 F988 | V981-A985 HydrophobicContact CG1-CB 4.16Å; Q982-A985 PolarHBondContact O-N 2.69Å; P983-A985 PolarHBondContact O-N 2.83Å; A985-F988 WeakPolarHBondContact O-CE1 3.39Å |
| 986 | L | 94.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -104.2 | 4.8 | -175.4 | -56.3 | -179.4 | 0 | 0 | 0 | 113.5 | V954 C977 I978 V981 P983 Q984 F988 I989 I990 | V954-L986 HydrophobicContact CG1-CD2 3.9Å; C977-L986 HydrophobicContact CB-CD2 4.21Å; I978-L986 HydrophobicContact CB-CD1 4.41Å; I978-L986 HydrophobicContact CG1-CD1 4.25Å; V981-L986 HydrophobicContact CB-CD1 4.48Å; V981-L986 HydrophobicContact CB-CD2 4.06Å; V981-L986 HydrophobicContact CB-CG 4.45Å; V981-L986 HydrophobicContact CG1-CD2 4.13Å; P983-L986 WeakPolarHBondContact O-CB 3.48Å; P983-L986 PolarHBondContact O-N 3.16Å; Q984-L986 VanDerWaalsContact C-N 3.27Å; Q984-L986 PolarHBondContact O-N 3.32Å; L986-F988 VanDerWaalsContact C-N 3.27Å; L986-F988 PolarHBondContact O-N 3.4Å; L986-I989 HydrophobicContact CB-CD1 4.32Å; L986-I989 HydrophobicContact CD2-CD1 3.84Å; L986-I989 WeakPolarHBondContact O-CA 3.46Å; L986-I989 VanDerWaalsContact O-CB 3.26Å; L986-I989 WeakPolarHBondContact O-CB 3.4Å; L986-I989 PolarHBondContact O-N 2.88Å; L986-I990 PolarHBondContact O-N 3.45Å |
| 987 | Q | 94.8 | Very high | 92.9 | Very high | 73 Ų | 73 | 41.4 Ų | 41.4 | 34% | 0.341 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -54.9 | -41.1 | -174 | -172.3 | 56.3 | 40.3 | 0 | 0 | 113 | I989 I990 D991 Q1021 | Q987-I989 PolarHBondContact O-N 3.46Å; Q987-I989 VanDerWaalsContact O-N 3.12Å; Q987-I990 WeakPolarHBondContact O-CA 3.27Å; Q987-I990 WeakPolarHBondContact O-CB 3.35Å; Q987-I990 PolarHBondContact O-N 3.05Å; Q987-D991 PolarHBondContact NE2-OD1 3.19Å; Q987-D991 VanDerWaalsContact O-CG 3.24Å; Q987-D991 PolarHBondContact O-N 3.19Å; Q987-Q1021 VanDerWaalsContact OE1-CG 3.31Å |
| 988 | F | 95.6 | Very high | 92.5 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 13% | 0.127 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -24.4 | 176.3 | 77 | -81.8 | 0 | 0 | 0 | 114 | V954 L957 D958 V961 A985 L986 A992 | V954-F988 HydrophobicContact CG1-CE1 3.8Å; V954-F988 HydrophobicContact CG1-CZ 3.7Å; V954-F988 WeakPolarHBondContact O-CZ 3.29Å; L957-F988 HydrophobicContact CB-CE2 4.43Å; D958-F988 HydrophobicContact CB-CD2 3.7Å; D958-F988 HydrophobicContact CB-CE2 3.94Å; D958-F988 HydrophobicContact CB-CG 4.29Å; D958-F988 WeakPolarHBondContact OD1-CD2 3.32Å; V961-F988 HydrophobicContact CG2-CD2 3.59Å; V961-F988 HydrophobicContact CG2-CE2 3.49Å; V961-F988 VanDerWaalsContact CG2-CE2 3.49Å; A985-F988 WeakPolarHBondContact O-CE1 3.39Å; L986-F988 VanDerWaalsContact C-N 3.27Å; L986-F988 PolarHBondContact O-N 3.4Å; F988-A992 VanDerWaalsContact O-CB 3.23Å; F988-A992 WeakPolarHBondContact O-CB 3.18Å; F988-A992 PolarHBondContact O-N 2.91Å; F988-A992 VanDerWaalsContact O-N 3.1Å |
| 989 | I | 96.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.4 | -42.1 | 172.7 | -53.9 | -176.2 | 0 | 0 | 0 | 110 | V961 V974 C977 L986 Q987 F993 | V961-I989 HydrophobicContact CG1-CB 4.4Å; V961-I989 HydrophobicContact CG1-CG2 3.87Å; V961-I989 HydrophobicContact CG2-CG1 4.21Å; V974-I989 HydrophobicContact CG1-CD1 4.37Å; V974-I989 HydrophobicContact CG1-CG2 4.11Å; C977-I989 HydrophobicContact CB-CD1 4.36Å; L986-I989 HydrophobicContact CB-CD1 4.32Å; L986-I989 HydrophobicContact CD2-CD1 3.84Å; L986-I989 WeakPolarHBondContact O-CA 3.46Å; L986-I989 VanDerWaalsContact O-CB 3.26Å; L986-I989 WeakPolarHBondContact O-CB 3.4Å; L986-I989 PolarHBondContact O-N 2.88Å; Q987-I989 PolarHBondContact O-N 3.46Å; Q987-I989 VanDerWaalsContact O-N 3.12Å; I989-F993 HydrophobicContact CG2-CD2 4.49Å; I989-F993 HydrophobicContact CG2-CE2 4.07Å; I989-F993 WeakPolarHBondContact O-CD2 3.22Å; I989-F993 PolarHBondContact O-N 3.29Å |
| 990 | I | 95.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.8 | -44.3 | 177.3 | -48.1 | -57.9 | 0 | 0 | 0 | 110.2 | L986 Q987 A992 F993 I1013 C1017 Q1021 I1025 | L986-I990 PolarHBondContact O-N 3.45Å; Q987-I990 WeakPolarHBondContact O-CA 3.27Å; Q987-I990 WeakPolarHBondContact O-CB 3.35Å; Q987-I990 PolarHBondContact O-N 3.05Å; I990-A992 VanDerWaalsContact C-N 3.34Å; I990-A992 PolarHBondContact O-N 2.83Å; I990-F993 WeakPolarHBondContact O-CB 3.21Å; I990-F993 PolarHBondContact O-N 2.92Å; I990-I1013 HydrophobicContact CD1-CD1 4.09Å; I990-I1013 HydrophobicContact CD1-CG1 4.04Å; I990-I1013 HydrophobicContact CD1-CG2 3.68Å; I990-C1017 HydrophobicContact CD1-CB 4.43Å; I990-Q1021 HydrophobicContact CD1-CB 4.32Å; I990-Q1021 HydrophobicContact CG1-CB 4.07Å; I990-Q1021 HydrophobicContact CG1-CG 4.08Å; I990-Q1021 HydrophobicContact CG2-CB 4.41Å; I990-Q1021 WeakPolarHBondContact CG2-O 3.21Å; I990-I1025 HydrophobicContact CG2-CD1 4.3Å; I990-I1025 HydrophobicContact CG2-CG1 4.32Å |
| 991 | D | 95.1 | Very high | 92.3 | Very high | 73 Ų | 73 | 40.2 Ų | 40.2 | 39% | 0.39 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 179 | -58.1 | -25.4 | 0 | 0 | 0 | 111.4 | Q987 F993 Q994 | Q987-D991 PolarHBondContact NE2-OD1 3.19Å; Q987-D991 VanDerWaalsContact O-CG 3.24Å; Q987-D991 PolarHBondContact O-N 3.19Å; D991-F993 PolarHBondContact O-N 2.93Å; D991-F993 VanDerWaalsContact O-N 3.16Å; D991-Q994 WeakPolarHBondContact O-CB 3.39Å; D991-Q994 PolarHBondContact O-N 3.36Å; D991-Q994 PolarHBondContact OD1-NE2 3.35Å |
| 992 | A | 95.6 | Very high | 92.4 | Very high | 32 Ų | 32 | 41.7 Ų | 41.7 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -9.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V961 L962 F988 I990 | V961-A992 HydrophobicContact CB-CB 3.77Å; V961-A992 HydrophobicContact CG1-CB 3.98Å; V961-A992 HydrophobicContact CG2-CB 4.14Å; L962-A992 WeakPolarHBondContact CD2-O 3.49Å; L962-A992 WeakPolarHBondContact CG-O 3.39Å; F988-A992 VanDerWaalsContact O-CB 3.23Å; F988-A992 WeakPolarHBondContact O-CB 3.18Å; F988-A992 PolarHBondContact O-N 2.91Å; F988-A992 VanDerWaalsContact O-N 3.1Å; I990-A992 VanDerWaalsContact C-N 3.34Å; I990-A992 PolarHBondContact O-N 2.83Å |
| 993 | F | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -15.4 | 176.2 | -86.1 | -131.4 | 0 | 0 | 0 | 113.2 | V961 V965 I989 I990 D991 G995 Q996 V997 L1000 V1009 I1010 I1013 I1025 | V961-F993 HydrophobicContact CG1-CD2 4.3Å; V961-F993 HydrophobicContact CG1-CE2 3.85Å; V965-F993 HydrophobicContact CG1-CZ 3.97Å; V965-F993 HydrophobicContact CG2-CE2 3.75Å; V965-F993 HydrophobicContact CG2-CZ 3.77Å; I989-F993 HydrophobicContact CG2-CD2 4.49Å; I989-F993 HydrophobicContact CG2-CE2 4.07Å; I989-F993 WeakPolarHBondContact O-CD2 3.22Å; I989-F993 PolarHBondContact O-N 3.29Å; I990-F993 WeakPolarHBondContact O-CB 3.21Å; I990-F993 PolarHBondContact O-N 2.92Å; D991-F993 PolarHBondContact O-N 2.93Å; D991-F993 VanDerWaalsContact O-N 3.16Å; F993-G995 PolarHBondContact O-N 2.72Å; F993-Q996 WeakPolarHBondContact O-CA 3.44Å; F993-Q996 WeakPolarHBondContact O-CB 3.39Å; F993-Q996 PolarHBondContact O-N 3.07Å; F993-V997 PolarHBondContact O-N 3.45Å; F993-L1000 HydrophobicContact CB-CD1 4.41Å; F993-L1000 HydrophobicContact CD1-CD1 3.48Å; F993-L1000 VanDerWaalsContact CD1-CD1 3.48Å; F993-L1000 HydrophobicContact CD2-CD1 3.97Å; F993-L1000 HydrophobicContact CE1-CD1 3.57Å; F993-L1000 HydrophobicContact CE2-CD1 4.09Å; F993-L1000 HydrophobicContact CG-CD1 3.68Å; F993-L1000 HydrophobicContact CZ-CD1 3.88Å; F993-V1009 HydrophobicContact CE1-CB 4.37Å; F993-V1009 HydrophobicContact CE1-CG1 4.17Å; F993-V1009 HydrophobicContact CE2-CG1 4.41Å; F993-V1009 HydrophobicContact CZ-CB 3.97Å; F993-V1009 HydrophobicContact CZ-CG1 3.51Å; F993-I1010 HydrophobicContact CD1-CD1 3.45Å; F993-I1010 VanDerWaalsContact CD1-CD1 3.45Å; F993-I1010 HydrophobicContact CD1-CG1 4.47Å; F993-I1010 HydrophobicContact CE1-CD1 3.54Å; F993-I1010 HydrophobicContact CE1-CG1 4.09Å; F993-I1013 HydrophobicContact CD1-CD1 3.74Å; F993-I1013 HydrophobicContact CE1-CD1 3.58Å; F993-I1013 HydrophobicContact CE2-CD1 4.41Å; F993-I1013 HydrophobicContact CG-CD1 4.26Å; F993-I1013 HydrophobicContact CZ-CD1 3.96Å; F993-I1025 HydrophobicContact CB-CD1 3.77Å |
| 994 | Q | 89.3 | Confident | 92.8 | Very high | 111 Ų | 111 | 39.1 Ų | 39.1 | 52% | 0.519 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 132.7 | -179.9 | -60.7 | 179.6 | 19.5 | 0 | 0 | 111 | D991 Q996 | D991-Q994 WeakPolarHBondContact O-CB 3.39Å; D991-Q994 PolarHBondContact O-N 3.36Å; D991-Q994 PolarHBondContact OD1-NE2 3.35Å; Q994-Q996 PolarHBondContact O-N 3.01Å |
| 995 | G | 87.2 | Confident | 93.1 | Very high | 49 Ų | 49 | 36.3 Ų | 36.3 | 51% | 0.505 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 12.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F993 E1028 | F993-G995 PolarHBondContact O-N 2.72Å; G995-E1028 VanDerWaalsContact CA-OE1 3.24Å; G995-E1028 WeakPolarHBondContact CA-OE1 3.31Å; G995-E1028 PolarHBondContact N-OE1 2.97Å; G995-E1028 PolarHBondContact N-OE2 2.78Å |
| 996 | Q | 90.2 | Very high | 93.5 | Very high | 58 Ų | 58 | 34.6 Ų | 34.6 | 27% | 0.271 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -3.8 | 178.6 | -64.3 | -67.2 | -74.3 | 0 | 0 | 113.6 | L962 F993 Q994 F998 V999 L1000 E1028 | L962-Q996 HydrophobicContact CD1-CG 4.14Å; L962-Q996 HydrophobicContact CD2-CB 4.46Å; L962-Q996 HydrophobicContact CD2-CG 4.3Å; F993-Q996 WeakPolarHBondContact O-CA 3.44Å; F993-Q996 WeakPolarHBondContact O-CB 3.39Å; F993-Q996 PolarHBondContact O-N 3.07Å; Q994-Q996 PolarHBondContact O-N 3.01Å; Q996-F998 VanDerWaalsContact C-N 3.35Å; Q996-F998 PolarHBondContact O-N 3.39Å; Q996-V999 PolarHBondContact O-N 3.34Å; Q996-V999 VanDerWaalsContact O-N 3.09Å; Q996-L1000 HydrophobicContact CB-CD1 3.86Å; Q996-L1000 HydrophobicContact CB-CG 4.14Å; Q996-L1000 WeakPolarHBondContact O-CG 3.44Å; Q996-L1000 PolarHBondContact O-N 2.86Å; Q996-E1028 PolarHBondContact N-OE1 2.67Å |
| 997 | V | 91.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -42 | -168.1 | 172.5 | 0 | 0 | 0 | 0 | 112.4 | F993 L1000 S1001 I1010 I1025 E1028 L1029 | F993-V997 PolarHBondContact O-N 3.45Å; V997-L1000 PolarHBondContact O-N 3.16Å; V997-S1001 VanDerWaalsContact O-CB 3.23Å; V997-S1001 WeakPolarHBondContact O-CB 3.45Å; V997-S1001 PolarHBondContact O-N 3.01Å; V997-S1001 PolarHBondContact O-OG 3.29Å; V997-I1010 HydrophobicContact CG1-CD1 4.2Å; V997-I1025 HydrophobicContact CG1-CG2 4.02Å; V997-I1025 HydrophobicContact CG2-CD1 3.72Å; V997-I1025 HydrophobicContact CG2-CG2 4.1Å; V997-E1028 HydrophobicContact CB-CB 4.12Å; V997-E1028 HydrophobicContact CB-CG 3.86Å; V997-E1028 WeakPolarHBondContact CB-OE1 3.33Å; V997-E1028 HydrophobicContact CG2-CB 4.04Å; V997-E1028 VanDerWaalsContact CG2-CD 3.48Å; V997-E1028 HydrophobicContact CG2-CG 4.08Å; V997-E1028 WeakPolarHBondContact CG2-OE2 3.45Å; V997-E1028 PolarHBondContact N-OE1 3.27Å; V997-L1029 HydrophobicContact CG1-CB 4.04Å |
| 998 | F | 88.4 | Confident | 93.7 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -50.2 | 175.7 | 179.7 | -86.3 | 0 | 0 | 0 | 111.6 | Q996 L1000 S1001 T1002 H1032 L1036 V1055 A1059 L1060 | Q996-F998 VanDerWaalsContact C-N 3.35Å; Q996-F998 PolarHBondContact O-N 3.39Å; F998-L1000 VanDerWaalsContact C-N 3.26Å; F998-L1000 PolarHBondContact O-N 2.7Å; F998-S1001 PolarHBondContact O-N 3.19Å; F998-T1002 HydrophobicContact CE1-CG2 4.18Å; F998-T1002 HydrophobicContact CZ-CG2 4.24Å; F998-T1002 PolarHBondContact O-N 2.88Å; F998-T1002 PolarHBondContact O-OG1 2.69Å; F998-T1002 VanDerWaalsContact O-OG1 3.13Å; F998-H1032 HydrophobicContact CB-CB 3.81Å; F998-H1032 VanDerWaalsContact CB-CD2 3.48Å; F998-H1032 WeakPolarHBondContact CB-CD2 3.24Å; F998-H1032 HydrophobicContact CD2-CB 3.79Å; F998-H1032 HydrophobicContact CG-CB 4.08Å; F998-L1036 HydrophobicContact CD1-CD1 3.6Å; F998-L1036 HydrophobicContact CD2-CD1 4.27Å; F998-L1036 HydrophobicContact CE1-CD1 3.71Å; F998-L1036 HydrophobicContact CE2-CD1 4.35Å; F998-L1036 HydrophobicContact CG-CD1 3.92Å; F998-L1036 HydrophobicContact CZ-CD1 4.09Å; F998-V1055 HydrophobicContact CE2-CG1 4.04Å; F998-V1055 HydrophobicContact CZ-CG1 3.78Å; F998-A1059 HydrophobicContact CE2-CB 4Å; F998-A1059 HydrophobicContact CZ-CB 4.04Å; F998-L1060 HydrophobicContact CD2-CD1 4.24Å; F998-L1060 HydrophobicContact CD2-CD2 3.76Å; F998-L1060 HydrophobicContact CD2-CG 3.92Å; F998-L1060 HydrophobicContact CE2-CD2 3.81Å; F998-L1060 HydrophobicContact CE2-CG 3.9Å |
| 999 | V | 90.6 | Very high | 93.8 | Very high | 70 Ų | 70 | 35.5 Ų | 35.5 | 42% | 0.424 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.3 | -35 | -178.1 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | Q996 T1002 H1003 | Q996-V999 PolarHBondContact O-N 3.34Å; Q996-V999 VanDerWaalsContact O-N 3.09Å; V999-T1002 PolarHBondContact O-OG1 3.09Å; V999-H1003 WeakPolarHBondContact O-CB 3.21Å; V999-H1003 PolarHBondContact O-N 2.87Å |
| 1000 | L | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -78 | -37.7 | 176.3 | -65.5 | 175.3 | 0 | 0 | 0 | 112 | L962 V965 K966 F993 Q996 V997 F998 T1002 H1003 G1006 C1007 I1010 | L962-L1000 HydrophobicContact CD2-CD1 3.81Å; L962-L1000 HydrophobicContact CD2-CD2 4.27Å; V965-L1000 HydrophobicContact CG1-CD2 3.8Å; K966-L1000 VanDerWaalsContact CE-CD2 3.49Å; K966-L1000 HydrophobicContact CG-CD2 4.31Å; F993-L1000 HydrophobicContact CB-CD1 4.41Å; F993-L1000 HydrophobicContact CD1-CD1 3.48Å; F993-L1000 VanDerWaalsContact CD1-CD1 3.48Å; F993-L1000 HydrophobicContact CD2-CD1 3.97Å; F993-L1000 HydrophobicContact CE1-CD1 3.57Å; F993-L1000 HydrophobicContact CE2-CD1 4.09Å; F993-L1000 HydrophobicContact CG-CD1 3.68Å; F993-L1000 HydrophobicContact CZ-CD1 3.88Å; Q996-L1000 HydrophobicContact CB-CD1 3.86Å; Q996-L1000 HydrophobicContact CB-CG 4.14Å; Q996-L1000 WeakPolarHBondContact O-CG 3.44Å; Q996-L1000 PolarHBondContact O-N 2.86Å; V997-L1000 PolarHBondContact O-N 3.16Å; F998-L1000 VanDerWaalsContact C-N 3.26Å; F998-L1000 PolarHBondContact O-N 2.7Å; L1000-T1002 VanDerWaalsContact C-N 3.27Å; L1000-T1002 PolarHBondContact O-N 2.88Å; L1000-H1003 WeakPolarHBondContact O-CB 3.37Å; L1000-H1003 PolarHBondContact O-N 3.46Å; L1000-G1006 CarbonylContact O-C 3.38Å; L1000-G1006 VanDerWaalsContact O-CA 3.28Å; L1000-G1006 WeakPolarHBondContact O-CA 3.36Å; L1000-C1007 PolarHBondContact O-N 3.3Å; L1000-I1010 HydrophobicContact CB-CD1 4.35Å; L1000-I1010 HydrophobicContact CB-CG1 4.36Å |
| 1001 | S | 93.8 | Very high | 94 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -32.3 | 175 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | V997 F998 H1003 C1007 Y1065 G1066 | V997-S1001 VanDerWaalsContact O-CB 3.23Å; V997-S1001 WeakPolarHBondContact O-CB 3.45Å; V997-S1001 PolarHBondContact O-N 3.01Å; V997-S1001 PolarHBondContact O-OG 3.29Å; F998-S1001 PolarHBondContact O-N 3.19Å; S1001-H1003 VanDerWaalsContact C-N 3.34Å; S1001-C1007 VanDerWaalsContact O-CB 3.31Å; S1001-C1007 WeakPolarHBondContact O-CB 3.17Å; S1001-Y1065 CarbonylContact O-C 3.42Å; S1001-G1066 WeakPolarHBondContact O-CA 3.17Å; S1001-G1066 PolarHBondContact O-N 2.84Å |
| 1002 | T | 91.9 | Very high | 94.1 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 24% | 0.239 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 8.8 | 172.2 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | F998 V999 L1000 L1060 D1063 Y1065 | F998-T1002 HydrophobicContact CE1-CG2 4.18Å; F998-T1002 HydrophobicContact CZ-CG2 4.24Å; F998-T1002 PolarHBondContact O-N 2.88Å; F998-T1002 PolarHBondContact O-OG1 2.69Å; F998-T1002 VanDerWaalsContact O-OG1 3.13Å; V999-T1002 PolarHBondContact O-OG1 3.09Å; L1000-T1002 VanDerWaalsContact C-N 3.27Å; L1000-T1002 PolarHBondContact O-N 2.88Å; T1002-L1060 HydrophobicContact CG2-CD2 3.73Å; T1002-D1063 WeakPolarHBondContact CA-OD1 3.23Å; T1002-D1063 HydrophobicContact CG2-CB 4.02Å; T1002-Y1065 WeakPolarHBondContact O-CD2 3.43Å |
| 1003 | H | 94.1 | Very high | 94.1 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 21% | 0.213 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -99.9 | 134 | 178.8 | -167.9 | -103.2 | 0 | 0 | 0 | 111.2 | V999 L1000 S1001 Y1005 G1006 C1007 | V999-H1003 WeakPolarHBondContact O-CB 3.21Å; V999-H1003 PolarHBondContact O-N 2.87Å; L1000-H1003 WeakPolarHBondContact O-CB 3.37Å; L1000-H1003 PolarHBondContact O-N 3.46Å; S1001-H1003 VanDerWaalsContact C-N 3.34Å; H1003-Y1005 AromaticContact CE1-CD2 3.71Å; H1003-Y1005 PolarHBondContact ND1-N 2.95Å; H1003-Y1005 PolarHBondContact O-N 2.92Å; H1003-G1006 PolarHBondContact ND1-N 3.17Å; H1003-G1006 PolarHBondContact O-N 3.28Å; H1003-C1007 PolarHBondContact O-N 2.93Å; H1003-C1007 PolarHBondContact O-SG 3.27Å |
| 1004 | P | 95.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 35.8 Ų | 35.8 | 26% | 0.26 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -27.5 | -176.8 | 17.7 | -32.5 | 0 | 0 | 0 | 115.1 | Y1065 | P1004-Y1065 HydrophobicContact CB-CD1 4.42Å; P1004-Y1065 HydrophobicContact CB-CD2 4.36Å; P1004-Y1065 HydrophobicContact CB-CE1 3.91Å; P1004-Y1065 HydrophobicContact CB-CE2 3.83Å; P1004-Y1065 HydrophobicContact CG-CE2 4.18Å |
| 1005 | Y | 97.9 | Very high | 94.4 | Very high | 74 Ų | 74 | 34.3 Ų | 34.3 | 29% | 0.29 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -29.6 | 176.3 | -47.6 | -33.9 | 0 | 0 | 0 | 112.4 | V965 Q968 N971 H1003 R1008 | V965-Y1005 WeakPolarHBondContact O-CB 3.49Å; Q968-Y1005 HydrophobicContact CB-CE2 3.98Å; N971-Y1005 HydrophobicContact CB-CG 4.44Å; H1003-Y1005 AromaticContact CE1-CD2 3.71Å; H1003-Y1005 PolarHBondContact ND1-N 2.95Å; H1003-Y1005 PolarHBondContact O-N 2.92Å; Y1005-R1008 PolarHBondContact O-N 2.94Å |
| 1006 | G | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.9 | -38.1 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1000 H1003 R1008 V1009 I1010 | L1000-G1006 CarbonylContact O-C 3.38Å; L1000-G1006 VanDerWaalsContact O-CA 3.28Å; L1000-G1006 WeakPolarHBondContact O-CA 3.36Å; H1003-G1006 PolarHBondContact ND1-N 3.17Å; H1003-G1006 PolarHBondContact O-N 3.28Å; G1006-R1008 PolarHBondContact O-N 3.27Å; G1006-R1008 VanDerWaalsContact O-N 3.14Å; G1006-V1009 PolarHBondContact O-N 2.87Å; G1006-I1010 WeakPolarHBondContact O-CG1 3.38Å; G1006-I1010 PolarHBondContact O-N 3.43Å |
| 1007 | C | 96.6 | Very high | 95 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.4 | -30.6 | 178.8 | 69.2 | 0 | 0 | 0 | 0 | 112.5 | L1000 S1001 H1003 Q1011 V1069 | L1000-C1007 PolarHBondContact O-N 3.3Å; S1001-C1007 VanDerWaalsContact O-CB 3.31Å; S1001-C1007 WeakPolarHBondContact O-CB 3.17Å; H1003-C1007 PolarHBondContact O-N 2.93Å; H1003-C1007 PolarHBondContact O-SG 3.27Å; C1007-Q1011 WeakPolarHBondContact O-CG 3.26Å; C1007-Q1011 PolarHBondContact O-N 3.05Å; C1007-Q1011 VanDerWaalsContact O-N 3.11Å; C1007-Q1011 PolarHBondContact O-NE2 3.33Å; C1007-V1069 HydrophobicContact CB-CG2 3.79Å |
| 1008 | R | 98 | Very high | 95.1 | Very high | 115 Ų | 115 | 35.8 Ų | 35.8 | 43% | 0.434 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -75.6 | -36.2 | 177.5 | -59.3 | -178.6 | 175.2 | 179.2 | -4.2 | 112.3 | Y1005 G1006 Q1011 R1012 | Y1005-R1008 PolarHBondContact O-N 2.94Å; G1006-R1008 PolarHBondContact O-N 3.27Å; G1006-R1008 VanDerWaalsContact O-N 3.14Å; R1008-Q1011 PolarHBondContact O-N 3.47Å; R1008-R1012 PolarHBondContact O-N 2.87Å |
| 1009 | V | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.4 | -40.2 | 175 | -169.9 | 0 | 0 | 0 | 0 | 110.2 | V965 N971 V974 Q975 I978 F993 G1006 Q1011 R1012 I1013 | V965-V1009 HydrophobicContact CG1-CB 4.34Å; V965-V1009 HydrophobicContact CG1-CG2 4.03Å; V965-V1009 HydrophobicContact CG2-CG1 4.26Å; V965-V1009 HydrophobicContact CG2-CG2 4.24Å; N971-V1009 HydrophobicContact CB-CG2 4.43Å; V974-V1009 HydrophobicContact CB-CG1 4.49Å; V974-V1009 HydrophobicContact CG1-CG1 3.65Å; Q975-V1009 HydrophobicContact CG-CG2 4.15Å; I978-V1009 HydrophobicContact CD1-CG1 3.59Å; F993-V1009 HydrophobicContact CE1-CB 4.37Å; F993-V1009 HydrophobicContact CE1-CG1 4.17Å; F993-V1009 HydrophobicContact CE2-CG1 4.41Å; F993-V1009 HydrophobicContact CZ-CB 3.97Å; F993-V1009 HydrophobicContact CZ-CG1 3.51Å; G1006-V1009 PolarHBondContact O-N 2.87Å; V1009-Q1011 VanDerWaalsContact C-N 3.33Å; V1009-Q1011 PolarHBondContact O-N 3.22Å; V1009-R1012 PolarHBondContact O-N 3.01Å; V1009-I1013 HydrophobicContact CG1-CD1 4.36Å; V1009-I1013 WeakPolarHBondContact O-CG1 3.46Å; V1009-I1013 PolarHBondContact O-N 2.87Å |
| 1010 | I | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.5 | -47.8 | 170.4 | -61.2 | -74.9 | 0 | 0 | 0 | 110.7 | F993 V997 L1000 G1006 R1012 I1013 L1014 I1025 V1069 | F993-I1010 HydrophobicContact CD1-CD1 3.45Å; F993-I1010 VanDerWaalsContact CD1-CD1 3.45Å; F993-I1010 HydrophobicContact CD1-CG1 4.47Å; F993-I1010 HydrophobicContact CE1-CD1 3.54Å; F993-I1010 HydrophobicContact CE1-CG1 4.09Å; V997-I1010 HydrophobicContact CG1-CD1 4.2Å; L1000-I1010 HydrophobicContact CB-CD1 4.35Å; L1000-I1010 HydrophobicContact CB-CG1 4.36Å; G1006-I1010 WeakPolarHBondContact O-CG1 3.38Å; G1006-I1010 PolarHBondContact O-N 3.43Å; I1010-R1012 PolarHBondContact O-N 3.07Å; I1010-I1013 WeakPolarHBondContact O-CB 3.46Å; I1010-I1013 PolarHBondContact O-N 3.1Å; I1010-L1014 HydrophobicContact CG2-CD1 3.98Å; I1010-L1014 HydrophobicContact CG2-CG 4.37Å; I1010-L1014 WeakPolarHBondContact O-CG 3.42Å; I1010-L1014 PolarHBondContact O-N 3.28Å; I1010-I1025 HydrophobicContact CD1-CG2 4.15Å; I1010-I1025 HydrophobicContact CG2-CG2 4.37Å; I1010-V1069 HydrophobicContact CB-CG1 4.46Å; I1010-V1069 HydrophobicContact CG2-CG1 3.52Å; I1010-V1069 HydrophobicContact CG2-CG2 4.43Å |
| 1011 | Q | 97 | Very high | 95.4 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 176.8 | -77.2 | 163.1 | 83.8 | 0 | 0 | 112.1 | C1007 R1008 V1009 I1013 L1014 E1015 H1072 | C1007-Q1011 WeakPolarHBondContact O-CG 3.26Å; C1007-Q1011 PolarHBondContact O-N 3.05Å; C1007-Q1011 VanDerWaalsContact O-N 3.11Å; C1007-Q1011 PolarHBondContact O-NE2 3.33Å; R1008-Q1011 PolarHBondContact O-N 3.47Å; V1009-Q1011 VanDerWaalsContact C-N 3.33Å; V1009-Q1011 PolarHBondContact O-N 3.22Å; Q1011-I1013 VanDerWaalsContact C-N 3.33Å; Q1011-I1013 PolarHBondContact O-N 3.02Å; Q1011-L1014 PolarHBondContact O-N 3.36Å; Q1011-E1015 VanDerWaalsContact O-CG 3.27Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.42Å; Q1011-E1015 PolarHBondContact O-N 3.43Å; Q1011-H1072 HydrophobicContact CG-CB 3.94Å |
| 1012 | R | 97.6 | Very high | 95.4 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 19% | 0.192 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.4 | -39.6 | 174.1 | -72.3 | -57.5 | 91.9 | 74 | 4.9 | 113.1 | Q975 I978 R1008 V1009 I1010 E1015 H1016 | Q975-R1012 HydrophobicContact CB-CG 3.92Å; Q975-R1012 HydrophobicContact CG-CG 3.69Å; I978-R1012 HydrophobicContact CB-CB 4.09Å; I978-R1012 HydrophobicContact CD1-CB 4.14Å; I978-R1012 HydrophobicContact CG2-CB 3.76Å; I978-R1012 VanDerWaalsContact CG2-O 3.26Å; I978-R1012 WeakPolarHBondContact CG2-O 3.37Å; R1008-R1012 PolarHBondContact O-N 2.87Å; V1009-R1012 PolarHBondContact O-N 3.01Å; I1010-R1012 PolarHBondContact O-N 3.07Å; R1012-E1015 IonicContact CZ-OE1 3.04Å; R1012-E1015 IonicContact CZ-OE2 2.72Å; R1012-E1015 IonicContact NE-OE1 2.7Å; R1012-E1015 IonicContact NE-OE2 2.74Å; R1012-E1015 PolarHBondContact NE-OE2 2.98Å; R1012-E1015 IonicContact NH2-OE1 3.14Å; R1012-E1015 PolarHBondContact NH2-OE1 3.11Å; R1012-E1015 IonicContact NH2-OE2 2.68Å; R1012-E1015 PolarHBondContact NH2-OE2 3.49Å; R1012-E1015 PolarHBondContact O-N 3.41Å; R1012-H1016 PolarHBondContact O-CD2 3.25Å; R1012-H1016 PolarHBondContact O-N 2.95Å |
| 1013 | I | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 175.6 | -69.3 | 167.6 | 0 | 0 | 0 | 110.1 | I978 I990 F993 V1009 I1010 Q1011 E1015 C1017 T1022 I1025 | I978-I1013 HydrophobicContact CD1-CG1 3.79Å; I990-I1013 HydrophobicContact CD1-CD1 4.09Å; I990-I1013 HydrophobicContact CD1-CG1 4.04Å; I990-I1013 HydrophobicContact CD1-CG2 3.68Å; F993-I1013 HydrophobicContact CD1-CD1 3.74Å; F993-I1013 HydrophobicContact CE1-CD1 3.58Å; F993-I1013 HydrophobicContact CE2-CD1 4.41Å; F993-I1013 HydrophobicContact CG-CD1 4.26Å; F993-I1013 HydrophobicContact CZ-CD1 3.96Å; V1009-I1013 HydrophobicContact CG1-CD1 4.36Å; V1009-I1013 WeakPolarHBondContact O-CG1 3.46Å; V1009-I1013 PolarHBondContact O-N 2.87Å; I1010-I1013 WeakPolarHBondContact O-CB 3.46Å; I1010-I1013 PolarHBondContact O-N 3.1Å; Q1011-I1013 VanDerWaalsContact C-N 3.33Å; Q1011-I1013 PolarHBondContact O-N 3.02Å; I1013-E1015 PolarHBondContact O-N 3.18Å; I1013-C1017 HydrophobicContact CG2-CB 4.16Å; I1013-C1017 VanDerWaalsContact O-CB 3.25Å; I1013-C1017 WeakPolarHBondContact O-CB 3.35Å; I1013-C1017 PolarHBondContact O-N 2.94Å; I1013-T1022 HydrophobicContact CG2-CG2 4.27Å; I1013-T1022 VanDerWaalsContact O-CG2 3.24Å; I1013-T1022 WeakPolarHBondContact O-CG2 3.4Å; I1013-I1025 HydrophobicContact CG2-CG1 4.26Å |
| 1014 | L | 94.9 | Very high | 95.3 | Very high | 31 Ų | 31 | 45.9 Ų | 45.9 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -23 | 178.7 | -64.7 | 174.8 | 0 | 0 | 0 | 113.9 | I1010 Q1011 T1022 L1026 V1069 V1073 | I1010-L1014 HydrophobicContact CG2-CD1 3.98Å; I1010-L1014 HydrophobicContact CG2-CG 4.37Å; I1010-L1014 WeakPolarHBondContact O-CG 3.42Å; I1010-L1014 PolarHBondContact O-N 3.28Å; Q1011-L1014 PolarHBondContact O-N 3.36Å; L1014-T1022 HydrophobicContact CD2-CG2 4.23Å; L1014-L1026 HydrophobicContact CD2-CD1 4.34Å; L1014-L1026 HydrophobicContact CD2-CD2 3.79Å; L1014-L1026 HydrophobicContact CD2-CG 3.82Å; L1014-V1069 HydrophobicContact CD1-CG1 4.33Å; L1014-V1073 HydrophobicContact CD1-CG2 3.82Å |
| 1015 | E | 94.8 | Very high | 95.1 | Very high | 79 Ų | 79 | 44 Ų | 44 | 37% | 0.369 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -88 | -36.1 | 179.2 | -72.6 | 166.6 | -153.2 | 0 | 0 | 114.3 | Q1011 R1012 I1013 H1072 | Q1011-E1015 VanDerWaalsContact O-CG 3.27Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.42Å; Q1011-E1015 PolarHBondContact O-N 3.43Å; R1012-E1015 IonicContact CZ-OE1 3.04Å; R1012-E1015 IonicContact CZ-OE2 2.72Å; R1012-E1015 IonicContact NE-OE1 2.7Å; R1012-E1015 IonicContact NE-OE2 2.74Å; R1012-E1015 PolarHBondContact NE-OE2 2.98Å; R1012-E1015 IonicContact NH2-OE1 3.14Å; R1012-E1015 PolarHBondContact NH2-OE1 3.11Å; R1012-E1015 IonicContact NH2-OE2 2.68Å; R1012-E1015 PolarHBondContact NH2-OE2 3.49Å; R1012-E1015 PolarHBondContact O-N 3.41Å; I1013-E1015 PolarHBondContact O-N 3.18Å; E1015-H1072 WeakPolarHBondContact CG-CE1 3.43Å; E1015-H1072 WeakPolarHBondContact CG-NE2 3.38Å; E1015-H1072 IonicContact OE1-CE1 3.74Å; E1015-H1072 PolarHBondContact OE1-CE1 2.92Å; E1015-H1072 IonicContact OE1-ND1 2.77Å; E1015-H1072 PolarHBondContact OE1-ND1 2.76Å; E1015-H1072 IonicContact OE1-NE2 2.71Å |
| 1016 | H | 94.4 | Very high | 94.7 | Very high | 80 Ų | 80 | 40.9 Ų | 40.9 | 37% | 0.37 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -122.5 | -20.4 | -165.7 | -64.2 | -86.7 | 0 | 0 | 0 | 115.6 | I978 P983 R1012 | I978-H1016 HydrophobicContact CG2-CB 3.77Å; I978-H1016 WeakPolarHBondContact O-CB 3.48Å; P983-H1016 WeakPolarHBondContact CG-O 3.49Å; R1012-H1016 PolarHBondContact O-CD2 3.25Å; R1012-H1016 PolarHBondContact O-N 2.95Å |
| 1017 | C | 94.7 | Very high | 94.3 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 12% | 0.115 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -81.2 | 166.8 | -179.6 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | I990 I1013 Q1021 T1022 | I990-C1017 HydrophobicContact CD1-CB 4.43Å; I1013-C1017 HydrophobicContact CG2-CB 4.16Å; I1013-C1017 VanDerWaalsContact O-CB 3.25Å; I1013-C1017 WeakPolarHBondContact O-CB 3.35Å; I1013-C1017 PolarHBondContact O-N 2.94Å; C1017-Q1021 HydrophobicContact CB-CB 3.89Å; C1017-T1022 HydrophobicContact CB-CG2 4.13Å |
| 1018 | T | 94.7 | Very high | 93.8 | Very high | 41 Ų | 41 | 46.3 Ų | 46.3 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | trans | -68.3 | 164.5 | -179.4 | 70.1 | 0 | 0 | 0 | 0 | 112 | P983 E1020 Q1021 T1022 | P983-T1018 HydrophobicContact CB-CG2 3.97Å; T1018-E1020 PolarHBondContact O-N 2.91Å; T1018-E1020 PolarHBondContact OG1-N 3.11Å; T1018-Q1021 VanDerWaalsContact N-OE1 3.15Å; T1018-Q1021 PolarHBondContact O-N 3.15Å; T1018-Q1021 VanDerWaalsContact O-N 3.14Å; T1018-Q1021 WeakPolarHBondContact OG1-CG 3.47Å; T1018-Q1021 PolarHBondContact OG1-N 3Å; T1018-T1022 WeakPolarHBondContact O-CG2 3.38Å; T1018-T1022 PolarHBondContact O-N 3.06Å; T1018-T1022 PolarHBondContact O-OG1 3.1Å | ||
| 1019 | Q | 90.8 | Very high | 93.3 | Very high | 117 Ų | 117 | 41.3 Ų | 41.3 | 55% | 0.547 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.6 | -40.2 | 171.7 | -173.5 | 173.6 | -11 | 0 | 0 | 111.5 | Q1021 T1022 L1023 | Q1019-Q1021 VanDerWaalsContact C-N 3.28Å; Q1019-Q1021 PolarHBondContact O-N 3.34Å; Q1019-T1022 WeakPolarHBondContact CA-OG1 3.14Å; Q1019-T1022 PolarHBondContact O-N 3.28Å; Q1019-T1022 PolarHBondContact O-OG1 3.47Å; Q1019-L1023 HydrophobicContact CG-CD1 4.17Å; Q1019-L1023 HydrophobicContact CG-CG 4.29Å; Q1019-L1023 WeakPolarHBondContact O-CB 3.38Å; Q1019-L1023 WeakPolarHBondContact O-CG 3.36Å; Q1019-L1023 PolarHBondContact O-N 2.85Å |
| 1020 | E | 93.1 | Very high | 92.5 | Very high | 163 Ų | 163 | 42.6 Ų | 42.6 | 76% | 0.762 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.8 | -34.1 | 177 | -61.9 | 169 | 168.2 | 0 | 0 | 112.6 | T1018 P1024 | T1018-E1020 PolarHBondContact O-N 2.91Å; T1018-E1020 PolarHBondContact OG1-N 3.11Å; E1020-P1024 WeakPolarHBondContact O-CD 3.4Å |
| 1021 | Q | 94.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -82.1 | -31.5 | 177.9 | -73.9 | 175.5 | -32.9 | 0 | 0 | 113.7 | P983 Q987 I990 C1017 T1018 Q1019 | P983-Q1021 VanDerWaalsContact CB-OE1 3.25Å; P983-Q1021 PolarHBondContact O-NE2 2.99Å; Q987-Q1021 VanDerWaalsContact OE1-CG 3.31Å; I990-Q1021 HydrophobicContact CD1-CB 4.32Å; I990-Q1021 HydrophobicContact CG1-CB 4.07Å; I990-Q1021 HydrophobicContact CG1-CG 4.08Å; I990-Q1021 HydrophobicContact CG2-CB 4.41Å; I990-Q1021 WeakPolarHBondContact CG2-O 3.21Å; C1017-Q1021 HydrophobicContact CB-CB 3.89Å; T1018-Q1021 VanDerWaalsContact N-OE1 3.15Å; T1018-Q1021 PolarHBondContact O-N 3.15Å; T1018-Q1021 VanDerWaalsContact O-N 3.14Å; T1018-Q1021 WeakPolarHBondContact OG1-CG 3.47Å; T1018-Q1021 PolarHBondContact OG1-N 3Å; Q1019-Q1021 VanDerWaalsContact C-N 3.28Å; Q1019-Q1021 PolarHBondContact O-N 3.34Å |
| 1022 | T | 93.8 | Very high | 89.6 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -83.1 | -27.6 | 179.9 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | I1013 L1014 C1017 T1018 Q1019 I1025 L1026 | I1013-T1022 HydrophobicContact CG2-CG2 4.27Å; I1013-T1022 VanDerWaalsContact O-CG2 3.24Å; I1013-T1022 WeakPolarHBondContact O-CG2 3.4Å; L1014-T1022 HydrophobicContact CD2-CG2 4.23Å; C1017-T1022 HydrophobicContact CB-CG2 4.13Å; T1018-T1022 WeakPolarHBondContact O-CG2 3.38Å; T1018-T1022 PolarHBondContact O-N 3.06Å; T1018-T1022 PolarHBondContact O-OG1 3.1Å; Q1019-T1022 WeakPolarHBondContact CA-OG1 3.14Å; Q1019-T1022 PolarHBondContact O-N 3.28Å; Q1019-T1022 PolarHBondContact O-OG1 3.47Å; T1022-I1025 PolarHBondContact O-N 3.25Å; T1022-L1026 WeakPolarHBondContact O-CB 3.48Å; T1022-L1026 WeakPolarHBondContact O-CG 3.4Å; T1022-L1026 PolarHBondContact O-N 3.24Å |
| 1023 | L | 91.6 | Very high | 87.4 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -51.5 | -56.5 | 175.5 | -85.2 | 167.4 | 0 | 0 | 0 | 114.4 | Q1019 I1025 L1026 E1027 | Q1019-L1023 HydrophobicContact CG-CD1 4.17Å; Q1019-L1023 HydrophobicContact CG-CG 4.29Å; Q1019-L1023 WeakPolarHBondContact O-CB 3.38Å; Q1019-L1023 WeakPolarHBondContact O-CG 3.36Å; Q1019-L1023 PolarHBondContact O-N 2.85Å; L1023-I1025 VanDerWaalsContact C-N 3.26Å; L1023-I1025 PolarHBondContact O-N 2.92Å; L1023-L1026 PolarHBondContact O-N 3.49Å; L1023-L1026 VanDerWaalsContact O-N 3.14Å; L1023-E1027 WeakPolarHBondContact O-CB 3.48Å; L1023-E1027 WeakPolarHBondContact O-CG 3.17Å; L1023-E1027 PolarHBondContact O-N 3.25Å |
| 1024 | P | 91.4 | Very high | 84.8 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 29% | 0.292 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63 | -32.7 | -179.3 | 23.9 | -34.3 | 0 | 0 | 0 | 112.6 | E1020 E1028 | E1020-P1024 WeakPolarHBondContact O-CD 3.4Å; P1024-E1028 VanDerWaalsContact O-CB 3.31Å; P1024-E1028 WeakPolarHBondContact O-CB 3.39Å; P1024-E1028 PolarHBondContact O-N 3.06Å |
| 1025 | I | 92.1 | Very high | 82.2 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 176.1 | -55 | -62.5 | 0 | 0 | 0 | 111 | I990 F993 V997 I1010 I1013 T1022 L1023 L1029 | I990-I1025 HydrophobicContact CG2-CD1 4.3Å; I990-I1025 HydrophobicContact CG2-CG1 4.32Å; F993-I1025 HydrophobicContact CB-CD1 3.77Å; V997-I1025 HydrophobicContact CG1-CG2 4.02Å; V997-I1025 HydrophobicContact CG2-CD1 3.72Å; V997-I1025 HydrophobicContact CG2-CG2 4.1Å; I1010-I1025 HydrophobicContact CD1-CG2 4.15Å; I1010-I1025 HydrophobicContact CG2-CG2 4.37Å; I1013-I1025 HydrophobicContact CG2-CG1 4.26Å; T1022-I1025 PolarHBondContact O-N 3.25Å; L1023-I1025 VanDerWaalsContact C-N 3.26Å; L1023-I1025 PolarHBondContact O-N 2.92Å; I1025-L1029 WeakPolarHBondContact O-CB 3.2Å; I1025-L1029 PolarHBondContact O-N 3.28Å |
| 1026 | L | 89.9 | Confident | 80 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.9 | -44.4 | 175.2 | -72.3 | 166.1 | 0 | 0 | 0 | 111.4 | L1014 T1022 L1023 L1029 H1030 V1073 | L1014-L1026 HydrophobicContact CD2-CD1 4.34Å; L1014-L1026 HydrophobicContact CD2-CD2 3.79Å; L1014-L1026 HydrophobicContact CD2-CG 3.82Å; T1022-L1026 WeakPolarHBondContact O-CB 3.48Å; T1022-L1026 WeakPolarHBondContact O-CG 3.4Å; T1022-L1026 PolarHBondContact O-N 3.24Å; L1023-L1026 PolarHBondContact O-N 3.49Å; L1023-L1026 VanDerWaalsContact O-N 3.14Å; L1026-L1029 WeakPolarHBondContact O-CB 3.47Å; L1026-L1029 PolarHBondContact O-N 3.02Å; L1026-H1030 PolarHBondContact O-CD2 2.71Å; L1026-H1030 PolarHBondContact O-N 2.76Å; L1026-V1073 HydrophobicContact CD2-CG1 4Å; L1026-V1073 HydrophobicContact CD2-CG2 3.69Å |
| 1027 | E | 88.4 | Confident | 77.7 | Confident | 98 Ų | 98 | 48.3 Ų | 48.3 | 46% | 0.458 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -48 | 177.1 | -74.5 | 178.2 | -174.8 | 0 | 0 | 111.8 | L1023 L1029 H1030 Q1031 | L1023-E1027 WeakPolarHBondContact O-CB 3.48Å; L1023-E1027 WeakPolarHBondContact O-CG 3.17Å; L1023-E1027 PolarHBondContact O-N 3.25Å; E1027-L1029 VanDerWaalsContact C-N 3.31Å; E1027-L1029 PolarHBondContact O-N 3.09Å; E1027-H1030 PolarHBondContact O-N 3.13Å; E1027-Q1031 WeakPolarHBondContact O-CB 3.33Å; E1027-Q1031 WeakPolarHBondContact O-CG 3.5Å; E1027-Q1031 PolarHBondContact O-N 2.97Å |
| 1028 | E | 87.1 | Confident | 75.3 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 176.5 | -172.4 | -179.1 | 151.9 | 0 | 0 | 112 | G995 Q996 V997 P1024 H1030 Q1031 H1032 | G995-E1028 VanDerWaalsContact CA-OE1 3.24Å; G995-E1028 WeakPolarHBondContact CA-OE1 3.31Å; G995-E1028 PolarHBondContact N-OE1 2.97Å; G995-E1028 PolarHBondContact N-OE2 2.78Å; Q996-E1028 PolarHBondContact N-OE1 2.67Å; V997-E1028 HydrophobicContact CB-CB 4.12Å; V997-E1028 HydrophobicContact CB-CG 3.86Å; V997-E1028 WeakPolarHBondContact CB-OE1 3.33Å; V997-E1028 HydrophobicContact CG2-CB 4.04Å; V997-E1028 VanDerWaalsContact CG2-CD 3.48Å; V997-E1028 HydrophobicContact CG2-CG 4.08Å; V997-E1028 WeakPolarHBondContact CG2-OE2 3.45Å; V997-E1028 PolarHBondContact N-OE1 3.27Å; P1024-E1028 VanDerWaalsContact O-CB 3.31Å; P1024-E1028 WeakPolarHBondContact O-CB 3.39Å; P1024-E1028 PolarHBondContact O-N 3.06Å; E1028-H1030 VanDerWaalsContact C-N 3.35Å; E1028-H1030 PolarHBondContact O-N 2.81Å; E1028-Q1031 PolarHBondContact O-N 3.03Å; E1028-H1032 WeakPolarHBondContact CG-CD2 3.2Å; E1028-H1032 WeakPolarHBondContact CG-NE2 3.47Å; E1028-H1032 PolarHBondContact O-CD2 3.21Å; E1028-H1032 VanDerWaalsContact O-CD2 3.28Å; E1028-H1032 PolarHBondContact O-N 2.79Å; E1028-H1032 VanDerWaalsContact O-N 3.07Å; E1028-H1032 IonicContact OE1-CD2 3.91Å; E1028-H1032 IonicContact OE1-CE1 3.67Å; E1028-H1032 IonicContact OE1-NE2 2.74Å; E1028-H1032 PolarHBondContact OE1-NE2 3.42Å |
| 1029 | L | 85.9 | Confident | 73 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 174.6 | 175.3 | 152.5 | 0 | 0 | 0 | 112.6 | V997 I1025 L1026 E1027 L1060 V1069 I1070 | V997-L1029 HydrophobicContact CG1-CB 4.04Å; I1025-L1029 WeakPolarHBondContact O-CB 3.2Å; I1025-L1029 PolarHBondContact O-N 3.28Å; L1026-L1029 WeakPolarHBondContact O-CB 3.47Å; L1026-L1029 PolarHBondContact O-N 3.02Å; E1027-L1029 VanDerWaalsContact C-N 3.31Å; E1027-L1029 PolarHBondContact O-N 3.09Å; L1029-L1060 HydrophobicContact CG-CD1 4.01Å; L1029-V1069 HydrophobicContact CD1-CG1 3.58Å; L1029-I1070 HydrophobicContact CD1-CD1 4.25Å; L1029-I1070 HydrophobicContact CD2-CD1 3.81Å; L1029-I1070 HydrophobicContact CG-CD1 4.23Å |
| 1030 | H | 82.1 | Confident | 70.8 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 13% | 0.125 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.6 | -31.3 | 173.7 | -60.3 | -63.5 | 0 | 0 | 0 | 112.4 | L1026 E1027 E1028 S1033 D1081 K1084 | L1026-H1030 PolarHBondContact O-CD2 2.71Å; L1026-H1030 PolarHBondContact O-N 2.76Å; E1027-H1030 PolarHBondContact O-N 3.13Å; E1028-H1030 VanDerWaalsContact C-N 3.35Å; E1028-H1030 PolarHBondContact O-N 2.81Å; H1030-S1033 WeakPolarHBondContact O-CB 3.25Å; H1030-S1033 PolarHBondContact O-OG 2.92Å; H1030-D1081 IonicContact CD2-OD1 3.62Å; H1030-D1081 IonicContact CE1-OD1 2.66Å; H1030-D1081 IonicContact NE2-OD1 3.74Å; H1030-D1081 PolarHBondContact NE2-OD1 3.45Å; H1030-K1084 WeakPolarHBondContact NE2-CD 3.24Å |
| 1031 | Q | 74.3 | Confident | 68.3 | Low | 90 Ų | 90 | 61.7 Ų | 61.7 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -79.4 | -31.6 | -174.9 | -76.6 | 175.6 | 43.8 | 0 | 0 | 115.2 | E1027 E1028 S1033 E1034 | E1027-Q1031 WeakPolarHBondContact O-CB 3.33Å; E1027-Q1031 WeakPolarHBondContact O-CG 3.5Å; E1027-Q1031 PolarHBondContact O-N 2.97Å; E1028-Q1031 PolarHBondContact O-N 3.03Å; Q1031-S1033 PolarHBondContact O-N 2.7Å; Q1031-E1034 PolarHBondContact O-N 3.36Å |
| 1032 | H | 59.9 | Low | 65.7 | Low | 27 Ų | 27 | 64.6 Ų | 64.6 | 13% | 0.125 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 3.4 | 177.9 | -78.8 | -55.9 | 0 | 0 | 0 | 114.4 | F998 E1028 E1034 | F998-H1032 HydrophobicContact CB-CB 3.81Å; F998-H1032 VanDerWaalsContact CB-CD2 3.48Å; F998-H1032 WeakPolarHBondContact CB-CD2 3.24Å; F998-H1032 HydrophobicContact CD2-CB 3.79Å; F998-H1032 HydrophobicContact CG-CB 4.08Å; E1028-H1032 WeakPolarHBondContact CG-CD2 3.2Å; E1028-H1032 WeakPolarHBondContact CG-NE2 3.47Å; E1028-H1032 PolarHBondContact O-CD2 3.21Å; E1028-H1032 VanDerWaalsContact O-CD2 3.28Å; E1028-H1032 PolarHBondContact O-N 2.79Å; E1028-H1032 VanDerWaalsContact O-N 3.07Å; E1028-H1032 IonicContact OE1-CD2 3.91Å; E1028-H1032 IonicContact OE1-CE1 3.67Å; E1028-H1032 IonicContact OE1-NE2 2.74Å; E1028-H1032 PolarHBondContact OE1-NE2 3.42Å; H1032-E1034 PolarHBondContact O-N 2.83Å |
| 1033 | S | 49.7 | Very low | 63.3 | Low | 13 Ų | 13 | 68.3 Ų | 68.3 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.9 | 166.1 | 64.8 | 0 | 0 | 0 | 0 | 113.5 | H1030 Q1031 R1057 | H1030-S1033 WeakPolarHBondContact O-CB 3.25Å; H1030-S1033 PolarHBondContact O-OG 2.92Å; Q1031-S1033 PolarHBondContact O-N 2.7Å; S1033-R1057 WeakPolarHBondContact O-CG 3.43Å |
| 1034 | E | 42.1 | Very low | 61.2 | Low | 112 Ų | 112 | 71.6 Ų | 71.6 | 52% | 0.523 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -40.9 | 178.9 | -80.7 | 175.4 | 145.1 | 0 | 0 | 115.6 | Q1031 H1032 L1036 G1037 R1057 | Q1031-E1034 PolarHBondContact O-N 3.36Å; H1032-E1034 PolarHBondContact O-N 2.83Å; E1034-L1036 PolarHBondContact O-N 3.14Å; E1034-L1036 VanDerWaalsContact O-N 3.11Å; E1034-G1037 PolarHBondContact O-N 2.94Å; E1034-R1057 IonicContact OE1-CZ 3.5Å; E1034-R1057 IonicContact OE1-NH1 2.76Å; E1034-R1057 PolarHBondContact OE1-NH1 3.33Å; E1034-R1057 IonicContact OE1-NH2 2.92Å; E1034-R1057 PolarHBondContact OE1-NH2 2.93Å; E1034-R1057 IonicContact OE2-CZ 2.93Å; E1034-R1057 IonicContact OE2-NH1 3.92Å; E1034-R1057 IonicContact OE2-NH2 2.76Å; E1034-R1057 PolarHBondContact OE2-NH2 3.18Å |
| 1035 | Q | 41.3 | Very low | 58.9 | Low | 98 Ų | 98 | 76.7 Ų | 76.7 | 46% | 0.458 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63 | -27.1 | -166.3 | -68.9 | -175.4 | 7.5 | 0 | 0 | 114.6 | G1037 Q1038 K1039 | Q1035-G1037 PolarHBondContact O-N 3.36Å; Q1035-Q1038 PolarHBondContact O-N 3.19Å; Q1035-K1039 PolarHBondContact O-N 3.47Å; Q1035-K1039 VanDerWaalsContact O-N 3.08Å |
| 1036 | L | 49 | Very low | 56.8 | Low | 34 Ų | 34 | 85 Ų | 85 | 18% | 0.178 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.6 | -20.5 | 176 | -92.6 | 159.7 | 0 | 0 | 0 | 113.6 | F998 E1034 Y1040 V1055 | F998-L1036 HydrophobicContact CD1-CD1 3.6Å; F998-L1036 HydrophobicContact CD2-CD1 4.27Å; F998-L1036 HydrophobicContact CE1-CD1 3.71Å; F998-L1036 HydrophobicContact CE2-CD1 4.35Å; F998-L1036 HydrophobicContact CG-CD1 3.92Å; F998-L1036 HydrophobicContact CZ-CD1 4.09Å; E1034-L1036 PolarHBondContact O-N 3.14Å; E1034-L1036 VanDerWaalsContact O-N 3.11Å; L1036-Y1040 HydrophobicContact CD2-CD2 4.45Å; L1036-Y1040 HydrophobicContact CD2-CE2 4.01Å; L1036-V1055 HydrophobicContact CB-CB 3.72Å; L1036-V1055 HydrophobicContact CB-CG1 4.15Å; L1036-V1055 HydrophobicContact CB-CG2 3.78Å; L1036-V1055 HydrophobicContact CD1-CB 4.43Å; L1036-V1055 HydrophobicContact CD1-CG1 4.05Å; L1036-V1055 HydrophobicContact CD1-CG2 4.25Å; L1036-V1055 HydrophobicContact CG-CG2 4.41Å |
| 1037 | G | 46 | Very low | 54.4 | Low | 21 Ų | 21 | 92.7 Ų | 92.7 | 22% | 0.216 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -69.1 | -50.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1034 Q1035 Y1040 Q1041 | E1034-G1037 PolarHBondContact O-N 2.94Å; Q1035-G1037 PolarHBondContact O-N 3.36Å; G1037-Y1040 PolarHBondContact O-N 3.35Å; G1037-Q1041 PolarHBondContact O-N 3.18Å; G1037-Q1041 VanDerWaalsContact O-N 3.16Å |
| 1038 | Q | 42.8 | Very low | 52 | Low | 146 Ų | 146 | 93 Ų | 93 | 68% | 0.682 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.9 | -38.8 | -175.2 | -66.1 | -173.4 | -0.6 | 0 | 0 | 112.9 | Q1035 Y1040 Q1041 G1042 | Q1035-Q1038 PolarHBondContact O-N 3.19Å; Q1038-Y1040 PolarHBondContact O-N 3.14Å; Q1038-Y1040 VanDerWaalsContact O-N 3.13Å; Q1038-Q1041 PolarHBondContact O-N 2.9Å; Q1038-Q1041 VanDerWaalsContact O-N 3.1Å; Q1038-G1042 PolarHBondContact O-N 3.12Å |
| 1039 | K | 46.3 | Very low | 49.9 | Very low | 175 Ų | 175 | 98.1 Ų | 98.1 | 76% | 0.761 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -18.4 | -178.8 | -164.9 | 165.7 | -175 | 171.3 | 0 | 113.9 | Q1035 | Q1035-K1039 PolarHBondContact O-N 3.47Å; Q1035-K1039 VanDerWaalsContact O-N 3.08Å |
| 1040 | Y | 45 | Very low | 47.5 | Very low | 148 Ų | 148 | 106.2 Ų | 106.2 | 58% | 0.58 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -101.6 | -20.6 | 171.6 | -75.7 | -81.1 | 0 | 0 | 0 | 114 | L1036 G1037 Q1038 G1042 | L1036-Y1040 HydrophobicContact CD2-CD2 4.45Å; L1036-Y1040 HydrophobicContact CD2-CE2 4.01Å; G1037-Y1040 PolarHBondContact O-N 3.35Å; Q1038-Y1040 PolarHBondContact O-N 3.14Å; Q1038-Y1040 VanDerWaalsContact O-N 3.13Å; Y1040-G1042 PolarHBondContact O-N 2.77Å |
| 1041 | Q | 41.3 | Very low | 45.4 | Very low | 149 Ų | 149 | 109.2 Ų | 109.2 | 70% | 0.696 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.4 | -15.2 | 173 | -80.5 | 178.8 | -53.3 | 0 | 0 | 114 | G1037 Q1038 V1043 | G1037-Q1041 PolarHBondContact O-N 3.18Å; G1037-Q1041 VanDerWaalsContact O-N 3.16Å; Q1038-Q1041 PolarHBondContact O-N 2.9Å; Q1038-Q1041 VanDerWaalsContact O-N 3.1Å; Q1041-V1043 VanDerWaalsContact C-N 3.29Å; Q1041-V1043 PolarHBondContact O-N 2.9Å |
| 1042 | G | 40.1 | Very low | 43.4 | Very low | 69 Ų | 69 | 112.6 Ų | 112.6 | 71% | 0.711 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -6.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q1038 Y1040 | Q1038-G1042 PolarHBondContact O-N 3.12Å; Y1040-G1042 PolarHBondContact O-N 2.77Å |
| 1043 | V | 43.5 | Very low | 42.3 | Very low | 93 Ų | 93 | 120.2 Ų | 120.2 | 56% | 0.564 | 62% | 0.615 | S | S | * | * | trans | -104.1 | 73.2 | -179.7 | -170.3 | 0 | 0 | 0 | 0 | 110.6 | Q1041 Y1052 | Q1041-V1043 VanDerWaalsContact C-N 3.29Å; Q1041-V1043 PolarHBondContact O-N 2.9Å; V1043-Y1052 PolarHBondContact O-OH 3Å; V1043-Y1052 VanDerWaalsContact O-OH 3.09Å | ||
| 1044 | S | 47.4 | Very low | 41.7 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | trans | -103 | 71 | 172.3 | -164 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1045 | L | 43 | Very low | 41.9 | Very low | 152 Ų | 152 | 122 Ų | 122 | 80% | 0.796 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -146.3 | 107.6 | 168.9 | -104.5 | 168.9 | 0 | 0 | 0 | 109.7 | ||
| 1046 | E | 46.7 | Very low | 42.5 | Very low | 176 Ų | 176 | 120.2 Ų | 120.2 | 82% | 0.822 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 8.2 | 101.6 | 165.1 | -52.8 | -170.9 | 138.4 | 0 | 0 | 119.1 | ||
| 1047 | M | 40.4 | Very low | 42.9 | Very low | 169 Ų | 169 | 123.1 Ų | 123.1 | 83% | 0.833 | 64% | 0.64 | S | S | * | * | 165.8 | 139.2 | 109 | -86.7 | 174.2 | 72.8 | 0 | 0 | 113.6 | |||||
| 1048 | T | 37.5 | Very low | 44 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 64% | 0.638 | 63% | 0.633 | S | S | * | * | trans | 67.6 | 125.8 | 175.6 | 71.8 | 0 | 0 | 0 | 0 | 117.4 | K1050 | T1048-K1050 PolarHBondContact O-N 2.91Š| ||
| 1049 | P | 43.3 | Very low | 45.7 | Very low | 131 Ų | 131 | 116.8 Ų | 116.8 | 85% | 0.851 | 61% | 0.609 | S | S | * | * | trans | -79.3 | 92.7 | 177.8 | 32.1 | -34.1 | 0 | 0 | 0 | 111.3 | ||||
| 1050 | K | 36.4 | Very low | 47.7 | Very low | 179 Ų | 179 | 109 Ų | 109 | 78% | 0.778 | 58% | 0.576 | S | S | * | * | trans | -113.7 | 75.6 | 170.3 | -77.2 | -175.4 | 176.6 | 175 | 0 | 112.1 | T1048 | T1048-K1050 PolarHBondContact O-N 2.91Š| ||
| 1051 | T | 36.7 | Very low | 49.9 | Very low | 91 Ų | 91 | 102.1 Ų | 102.1 | 56% | 0.558 | 55% | 0.549 | S | S | * | . | trans | 54.4 | 75.7 | 153.5 | -32.7 | 0 | 0 | 0 | 0 | 116.3 | Y1053 | T1051-Y1053 VanDerWaalsContact C-N 3.3Å; T1051-Y1053 HydrophobicContact CG2-CD1 4.09Å; T1051-Y1053 HydrophobicContact CG2-CD2 3.75Å; T1051-Y1053 HydrophobicContact CG2-CE1 3.76Å; T1051-Y1053 HydrophobicContact CG2-CE2 3.39Å; T1051-Y1053 HydrophobicContact CG2-CG 4.09Å; T1051-Y1053 PolarHBondContact O-N 3.07Å | ||
| 1052 | Y | 33 | Very low | 52.2 | Low | 160 Ų | 160 | 98.2 Ų | 98.2 | 63% | 0.627 | 53% | 0.53 | S | S | * | . | trans | -64.5 | 90.6 | 158.4 | -69 | -84.1 | 0 | 0 | 0 | 109.8 | V1043 T1054 | V1043-Y1052 PolarHBondContact O-OH 3Å; V1043-Y1052 VanDerWaalsContact O-OH 3.09Å; Y1052-T1054 PolarHBondContact O-N 3.31Å | ||
| 1053 | Y | 36.7 | Very low | 54.7 | Low | 187 Ų | 187 | 96.6 Ų | 96.6 | 73% | 0.733 | 51% | 0.505 | S | S | * | . | trans | -70.9 | 107 | 166.8 | -70.5 | -74.6 | 0 | 0 | 0 | 109 | T1051 V1055 | T1051-Y1053 VanDerWaalsContact C-N 3.3Å; T1051-Y1053 HydrophobicContact CG2-CD1 4.09Å; T1051-Y1053 HydrophobicContact CG2-CD2 3.75Å; T1051-Y1053 HydrophobicContact CG2-CE1 3.76Å; T1051-Y1053 HydrophobicContact CG2-CE2 3.39Å; T1051-Y1053 HydrophobicContact CG2-CG 4.09Å; T1051-Y1053 PolarHBondContact O-N 3.07Å; Y1053-V1055 PolarHBondContact O-N 3Å | ||
| 1054 | T | 37.5 | Very low | 57.1 | Low | 127 Ų | 127 | 96.7 Ų | 96.7 | 78% | 0.779 | 50% | 0.499 | S | S | * | . | trans | -61.3 | 104.6 | 159.4 | 38.6 | 0 | 0 | 0 | 0 | 108.2 | Y1052 S1056 | Y1052-T1054 PolarHBondContact O-N 3.31Å; T1054-S1056 VanDerWaalsContact C-N 3.32Å; T1054-S1056 PolarHBondContact O-N 2.69Å | ||
| 1055 | V | 46.4 | Very low | 59.4 | Low | 37 Ų | 37 | 94.5 Ų | 94.5 | 22% | 0.224 | 47% | 0.474 | C | S | . | . | trans | -67 | 97.5 | 173 | 180 | 0 | 0 | 0 | 0 | 107.3 | F998 L1036 Y1053 A1059 | F998-V1055 HydrophobicContact CE2-CG1 4.04Å; F998-V1055 HydrophobicContact CZ-CG1 3.78Å; L1036-V1055 HydrophobicContact CB-CB 3.72Å; L1036-V1055 HydrophobicContact CB-CG1 4.15Å; L1036-V1055 HydrophobicContact CB-CG2 3.78Å; L1036-V1055 HydrophobicContact CD1-CB 4.43Å; L1036-V1055 HydrophobicContact CD1-CG1 4.05Å; L1036-V1055 HydrophobicContact CD1-CG2 4.25Å; L1036-V1055 HydrophobicContact CG-CG2 4.41Å; Y1053-V1055 PolarHBondContact O-N 3Å; V1055-A1059 HydrophobicContact CG1-CB 3.76Å | ||
| 1056 | S | 52.7 | Low | 61.8 | Low | 59 Ų | 59 | 87.3 Ų | 87.3 | 41% | 0.413 | 44% | 0.436 | S | S | . | . | trans | -61 | 147 | 177 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | T1054 D1058 A1059 | T1054-S1056 VanDerWaalsContact C-N 3.32Å; T1054-S1056 PolarHBondContact O-N 2.69Å; S1056-D1058 PolarHBondContact O-N 3.25Å; S1056-A1059 WeakPolarHBondContact O-CB 3.15Å; S1056-A1059 PolarHBondContact O-N 3.46Å | ||
| 1057 | R | 57.4 | Low | 64.1 | Low | 95 Ų | 95 | 79 Ų | 79 | 36% | 0.358 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.2 | -40.3 | 171.4 | -54.3 | -165.9 | 110.1 | 98.4 | 3.5 | 112.3 | S1033 E1034 A1059 E1088 | S1033-R1057 WeakPolarHBondContact O-CG 3.43Å; E1034-R1057 IonicContact OE1-CZ 3.5Å; E1034-R1057 IonicContact OE1-NH1 2.76Å; E1034-R1057 PolarHBondContact OE1-NH1 3.33Å; E1034-R1057 IonicContact OE1-NH2 2.92Å; E1034-R1057 PolarHBondContact OE1-NH2 2.93Å; E1034-R1057 IonicContact OE2-CZ 2.93Å; E1034-R1057 IonicContact OE2-NH1 3.92Å; E1034-R1057 IonicContact OE2-NH2 2.76Å; E1034-R1057 PolarHBondContact OE2-NH2 3.18Å; R1057-A1059 PolarHBondContact O-N 3.01Å; R1057-A1059 VanDerWaalsContact O-N 3.1Å; R1057-E1088 WeakPolarHBondContact CD-OE1 3.25Å; R1057-E1088 IonicContact NE-OE1 2.62Å; R1057-E1088 PolarHBondContact NE-OE1 3.02Å; R1057-E1088 VanDerWaalsContact NE-OE1 3.12Å |
| 1058 | D | 68.8 | Low | 66.8 | Low | 11 Ų | 11 | 76.8 Ų | 76.8 | 6% | 0.059 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 0.9 | -178.2 | -48.8 | -15.4 | 0 | 0 | 0 | 115.3 | S1056 L1060 F1061 K1062 K1092 L1096 | S1056-D1058 PolarHBondContact O-N 3.25Å; D1058-L1060 VanDerWaalsContact C-N 3.3Å; D1058-L1060 PolarHBondContact O-N 3.42Å; D1058-F1061 HydrophobicContact CB-CD2 3.81Å; D1058-F1061 HydrophobicContact CB-CE2 4.4Å; D1058-F1061 WeakPolarHBondContact O-CB 3.46Å; D1058-F1061 PolarHBondContact O-N 3.01Å; D1058-K1062 HydrophobicContact CB-CD 3.82Å; D1058-K1062 HydrophobicContact CB-CG 4.49Å; D1058-K1062 PolarHBondContact O-N 2.69Å; D1058-K1062 IonicContact OD2-NZ 3.64Å; D1058-K1062 PolarHBondContact OD2-NZ 2.99Å; D1058-K1092 WeakPolarHBondContact OD1-CD 3.41Å; D1058-K1092 WeakPolarHBondContact OD1-CE 3.27Å; D1058-K1092 IonicContact OD1-NZ 2.72Å; D1058-K1092 PolarHBondContact OD1-NZ 3.04Å; D1058-L1096 HydrophobicContact CB-CD2 4.32Å |
| 1059 | A | 80.4 | Confident | 69.6 | Low | 24 Ų | 24 | 71.8 Ų | 71.8 | 20% | 0.198 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.5 | -41.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F998 V1055 S1056 R1057 K1062 D1063 | F998-A1059 HydrophobicContact CE2-CB 4Å; F998-A1059 HydrophobicContact CZ-CB 4.04Å; V1055-A1059 HydrophobicContact CG1-CB 3.76Å; S1056-A1059 WeakPolarHBondContact O-CB 3.15Å; S1056-A1059 PolarHBondContact O-N 3.46Å; R1057-A1059 PolarHBondContact O-N 3.01Å; R1057-A1059 VanDerWaalsContact O-N 3.1Å; A1059-K1062 PolarHBondContact O-N 2.88Å; A1059-D1063 WeakPolarHBondContact O-CB 3.3Å; A1059-D1063 PolarHBondContact O-N 3.06Å |
| 1060 | L | 87.4 | Confident | 72 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.7 | -29.8 | 175.7 | -66.4 | 179.3 | 0 | 0 | 0 | 113 | F998 T1002 L1029 D1058 K1062 G1066 N1067 I1070 | F998-L1060 HydrophobicContact CD2-CD1 4.24Å; F998-L1060 HydrophobicContact CD2-CD2 3.76Å; F998-L1060 HydrophobicContact CD2-CG 3.92Å; F998-L1060 HydrophobicContact CE2-CD2 3.81Å; F998-L1060 HydrophobicContact CE2-CG 3.9Å; T1002-L1060 HydrophobicContact CG2-CD2 3.73Å; L1029-L1060 HydrophobicContact CG-CD1 4.01Å; D1058-L1060 VanDerWaalsContact C-N 3.3Å; D1058-L1060 PolarHBondContact O-N 3.42Å; L1060-K1062 VanDerWaalsContact C-N 3.28Å; L1060-K1062 PolarHBondContact O-N 3.45Å; L1060-G1066 CarbonylContact O-C 3.34Å; L1060-N1067 WeakPolarHBondContact O-CA 3.4Å; L1060-N1067 PolarHBondContact O-N 3.23Å; L1060-I1070 HydrophobicContact CB-CD1 3.93Å; L1060-I1070 HydrophobicContact CB-CG1 3.86Å; L1060-I1070 HydrophobicContact CD1-CD1 4.1Å |
| 1061 | F | 90.9 | Very high | 74.9 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.3 | -32.7 | 173.5 | -46.7 | -33.5 | 0 | 0 | 0 | 111.6 | D1058 I1070 I1085 E1088 V1089 L1096 F1101 A1102 V1105 | D1058-F1061 HydrophobicContact CB-CD2 3.81Å; D1058-F1061 HydrophobicContact CB-CE2 4.4Å; D1058-F1061 WeakPolarHBondContact O-CB 3.46Å; D1058-F1061 PolarHBondContact O-N 3.01Å; F1061-I1070 HydrophobicContact CD1-CB 4.25Å; F1061-I1070 HydrophobicContact CD1-CD1 4.5Å; F1061-I1070 HydrophobicContact CD1-CG1 3.89Å; F1061-I1070 HydrophobicContact CD1-CG2 3.74Å; F1061-I1070 HydrophobicContact CE1-CB 4.49Å; F1061-I1070 HydrophobicContact CE1-CD1 4.24Å; F1061-I1070 HydrophobicContact CE1-CG1 4.1Å; F1061-I1070 HydrophobicContact CE1-CG2 3.7Å; F1061-I1085 HydrophobicContact CE1-CG2 4.08Å; F1061-I1085 HydrophobicContact CZ-CG2 4.44Å; F1061-E1088 HydrophobicContact CE2-CB 4.03Å; F1061-E1088 HydrophobicContact CZ-CB 3.95Å; F1061-V1089 HydrophobicContact CD2-CG2 4.46Å; F1061-V1089 HydrophobicContact CE2-CG2 4.2Å; F1061-V1089 HydrophobicContact CZ-CG2 4.43Å; F1061-L1096 HydrophobicContact CD2-CD1 4.24Å; F1061-F1101 CarbonylContact O-C 3.59Å; F1061-A1102 HydrophobicContact CB-CB 4.01Å; F1061-A1102 VanDerWaalsContact O-CA 3.22Å; F1061-A1102 WeakPolarHBondContact O-CA 3.3Å; F1061-A1102 VanDerWaalsContact O-CB 3.3Å; F1061-A1102 WeakPolarHBondContact O-CB 3.46Å; F1061-A1102 PolarHBondContact O-N 2.89Å; F1061-V1105 HydrophobicContact CB-CG2 4.36Å; F1061-V1105 HydrophobicContact CD1-CG1 3.99Å; F1061-V1105 HydrophobicContact CG-CG1 4.42Å |
| 1062 | K | 90.8 | Very high | 77.7 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -92 | -23.1 | -174.7 | -68.8 | 163.1 | 178.1 | 164 | 0 | 112.9 | D1058 A1059 L1060 L1096 H1099 F1101 A1102 | D1058-K1062 HydrophobicContact CB-CD 3.82Å; D1058-K1062 HydrophobicContact CB-CG 4.49Å; D1058-K1062 PolarHBondContact O-N 2.69Å; D1058-K1062 IonicContact OD2-NZ 3.64Å; D1058-K1062 PolarHBondContact OD2-NZ 2.99Å; A1059-K1062 PolarHBondContact O-N 2.88Å; L1060-K1062 VanDerWaalsContact C-N 3.28Å; L1060-K1062 PolarHBondContact O-N 3.45Å; K1062-L1096 VanDerWaalsContact CE-CD2 3.5Å; K1062-H1099 PolarHBondContact O-CE1 3.43Å; K1062-H1099 VanDerWaalsContact O-CE1 3.27Å; K1062-F1101 WeakPolarHBondContact O-CD2 3.4Å; K1062-A1102 HydrophobicContact CG-CB 4.4Å |
| 1063 | D | 92.1 | Very high | 80.6 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 19% | 0.193 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -68.8 | 145.5 | 177.3 | 179.9 | -111.1 | 0 | 0 | 0 | 113.2 | T1002 A1059 Y1065 G1066 N1067 | T1002-D1063 WeakPolarHBondContact CA-OD1 3.23Å; T1002-D1063 HydrophobicContact CG2-CB 4.02Å; A1059-D1063 WeakPolarHBondContact O-CB 3.3Å; A1059-D1063 PolarHBondContact O-N 3.06Å; D1063-Y1065 VanDerWaalsContact C-N 3.25Å; D1063-Y1065 PolarHBondContact O-N 3.49Å; D1063-Y1065 WeakPolarHBondContact OD1-CA 3.3Å; D1063-Y1065 WeakPolarHBondContact OD1-CB 3.22Å; D1063-Y1065 PolarHBondContact OD1-N 2.74Å; D1063-G1066 PolarHBondContact OD1-N 2.9Å; D1063-N1067 WeakPolarHBondContact O-CB 3.49Å; D1063-N1067 PolarHBondContact O-N 2.89Å; D1063-N1067 PolarHBondContact O-ND2 3.37Å |
| 1064 | Q | 93.7 | Very high | 83.3 | Confident | 94 Ų | 94 | 37.7 Ų | 37.7 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -19.4 | -178 | 68.6 | -173.4 | -36.2 | 0 | 0 | 114.5 | N1067 Y1068 F1101 | Q1064-N1067 PolarHBondContact O-ND2 2.91Å; Q1064-Y1068 WeakPolarHBondContact O-CE2 3.39Å; Q1064-F1101 HydrophobicContact CB-CD1 4.39Å; Q1064-F1101 HydrophobicContact CB-CD2 4.29Å; Q1064-F1101 HydrophobicContact CB-CE1 3.85Å; Q1064-F1101 HydrophobicContact CB-CE2 3.74Å; Q1064-F1101 HydrophobicContact CB-CZ 3.49Å; Q1064-F1101 VanDerWaalsContact CB-CZ 3.49Å |
| 1065 | Y | 94.8 | Very high | 86 | Confident | 72 Ų | 72 | 34.7 Ų | 34.7 | 28% | 0.282 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -41.5 | 176.5 | -55.4 | -56.6 | 0 | 0 | 0 | 112 | S1001 T1002 P1004 D1063 N1067 Y1068 | S1001-Y1065 CarbonylContact O-C 3.42Å; T1002-Y1065 WeakPolarHBondContact O-CD2 3.43Å; P1004-Y1065 HydrophobicContact CB-CD1 4.42Å; P1004-Y1065 HydrophobicContact CB-CD2 4.36Å; P1004-Y1065 HydrophobicContact CB-CE1 3.91Å; P1004-Y1065 HydrophobicContact CB-CE2 3.83Å; P1004-Y1065 HydrophobicContact CG-CE2 4.18Å; D1063-Y1065 VanDerWaalsContact C-N 3.25Å; D1063-Y1065 PolarHBondContact O-N 3.49Å; D1063-Y1065 WeakPolarHBondContact OD1-CA 3.3Å; D1063-Y1065 WeakPolarHBondContact OD1-CB 3.22Å; D1063-Y1065 PolarHBondContact OD1-N 2.74Å; Y1065-N1067 PolarHBondContact O-N 2.92Å; Y1065-Y1068 WeakPolarHBondContact O-CB 3.49Å; Y1065-Y1068 PolarHBondContact O-N 2.69Å |
| 1066 | G | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.7 | -35.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1001 L1060 D1063 Y1068 V1069 I1070 | S1001-G1066 WeakPolarHBondContact O-CA 3.17Å; S1001-G1066 PolarHBondContact O-N 2.84Å; L1060-G1066 CarbonylContact O-C 3.34Å; D1063-G1066 PolarHBondContact OD1-N 2.9Å; G1066-Y1068 PolarHBondContact O-N 3.42Å; G1066-Y1068 VanDerWaalsContact O-N 3.13Å; G1066-V1069 WeakPolarHBondContact O-CB 3.49Å; G1066-V1069 PolarHBondContact O-N 3.26Å; G1066-I1070 PolarHBondContact O-N 2.99Å; G1066-I1070 VanDerWaalsContact O-N 3.09Å |
| 1067 | N | 95.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -29.4 | 178.5 | 77.3 | 93 | 0 | 0 | 0 | 112.5 | L1060 D1063 Q1064 Y1065 Q1071 F1101 V1105 | L1060-N1067 WeakPolarHBondContact O-CA 3.4Å; L1060-N1067 PolarHBondContact O-N 3.23Å; D1063-N1067 WeakPolarHBondContact O-CB 3.49Å; D1063-N1067 PolarHBondContact O-N 2.89Å; D1063-N1067 PolarHBondContact O-ND2 3.37Å; Q1064-N1067 PolarHBondContact O-ND2 2.91Å; Y1065-N1067 PolarHBondContact O-N 2.92Å; N1067-Q1071 WeakPolarHBondContact O-CB 3.35Å; N1067-Q1071 WeakPolarHBondContact O-CG 3.36Å; N1067-Q1071 PolarHBondContact O-N 2.88Å; N1067-Q1071 PolarHBondContact O-NE2 3.4Å; N1067-Q1071 PolarHBondContact OD1-NE2 2.77Å; N1067-F1101 HydrophobicContact CB-CB 4.14Å; N1067-V1105 HydrophobicContact CB-CG2 3.99Å |
| 1068 | Y | 97.1 | Very high | 91.3 | Very high | 123 Ų | 123 | 35 Ų | 35 | 48% | 0.482 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -73.8 | -35.5 | 175.9 | -66.5 | -73.2 | 0 | 0 | 0 | 112.2 | Q1064 Y1065 G1066 Q1071 H1072 | Q1064-Y1068 WeakPolarHBondContact O-CE2 3.39Å; Y1065-Y1068 WeakPolarHBondContact O-CB 3.49Å; Y1065-Y1068 PolarHBondContact O-N 2.69Å; G1066-Y1068 PolarHBondContact O-N 3.42Å; G1066-Y1068 VanDerWaalsContact O-N 3.13Å; Y1068-Q1071 PolarHBondContact O-N 3.28Å; Y1068-H1072 VanDerWaalsContact O-CB 3.3Å; Y1068-H1072 WeakPolarHBondContact O-CB 3.48Å; Y1068-H1072 PolarHBondContact O-N 3.42Å |
| 1069 | V | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 175.2 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | C1007 I1010 L1014 L1029 G1066 H1072 V1073 | C1007-V1069 HydrophobicContact CB-CG2 3.79Å; I1010-V1069 HydrophobicContact CB-CG1 4.46Å; I1010-V1069 HydrophobicContact CG2-CG1 3.52Å; I1010-V1069 HydrophobicContact CG2-CG2 4.43Å; L1014-V1069 HydrophobicContact CD1-CG1 4.33Å; L1029-V1069 HydrophobicContact CD1-CG1 3.58Å; G1066-V1069 WeakPolarHBondContact O-CB 3.49Å; G1066-V1069 PolarHBondContact O-N 3.26Å; V1069-H1072 WeakPolarHBondContact O-CB 3.44Å; V1069-H1072 PolarHBondContact O-N 3.03Å; V1069-V1073 PolarHBondContact O-N 3.08Å |
| 1070 | I | 95.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 176.9 | -55.9 | -59.2 | 0 | 0 | 0 | 111.4 | L1029 L1060 F1061 G1066 H1072 V1073 L1074 I1085 V1105 | L1029-I1070 HydrophobicContact CD1-CD1 4.25Å; L1029-I1070 HydrophobicContact CD2-CD1 3.81Å; L1029-I1070 HydrophobicContact CG-CD1 4.23Å; L1060-I1070 HydrophobicContact CB-CD1 3.93Å; L1060-I1070 HydrophobicContact CB-CG1 3.86Å; L1060-I1070 HydrophobicContact CD1-CD1 4.1Å; F1061-I1070 HydrophobicContact CD1-CB 4.25Å; F1061-I1070 HydrophobicContact CD1-CD1 4.5Å; F1061-I1070 HydrophobicContact CD1-CG1 3.89Å; F1061-I1070 HydrophobicContact CD1-CG2 3.74Å; F1061-I1070 HydrophobicContact CE1-CB 4.49Å; F1061-I1070 HydrophobicContact CE1-CD1 4.24Å; F1061-I1070 HydrophobicContact CE1-CG1 4.1Å; F1061-I1070 HydrophobicContact CE1-CG2 3.7Å; G1066-I1070 PolarHBondContact O-N 2.99Å; G1066-I1070 VanDerWaalsContact O-N 3.09Å; I1070-H1072 VanDerWaalsContact C-N 3.25Å; I1070-H1072 PolarHBondContact O-N 2.8Å; I1070-V1073 PolarHBondContact O-N 2.93Å; I1070-L1074 HydrophobicContact CG2-CD1 4.2Å; I1070-L1074 WeakPolarHBondContact O-CG 3.39Å; I1070-L1074 PolarHBondContact O-N 3.19Å; I1070-I1085 HydrophobicContact CG2-CD1 4.05Å; I1070-I1085 HydrophobicContact CG2-CG1 4.33Å; I1070-I1085 HydrophobicContact CG2-CG2 3.65Å; I1070-V1105 HydrophobicContact CB-CG2 4.5Å; I1070-V1105 HydrophobicContact CG2-CG1 3.67Å; I1070-V1105 HydrophobicContact CG2-CG2 4.48Å |
| 1071 | Q | 95.8 | Very high | 93 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.1 | -37.3 | 174.5 | -73.1 | 175.7 | 86.4 | 0 | 0 | 111.8 | N1067 Y1068 L1074 E1075 V1105 K1108 | N1067-Q1071 WeakPolarHBondContact O-CB 3.35Å; N1067-Q1071 WeakPolarHBondContact O-CG 3.36Å; N1067-Q1071 PolarHBondContact O-N 2.88Å; N1067-Q1071 PolarHBondContact O-NE2 3.4Å; N1067-Q1071 PolarHBondContact OD1-NE2 2.77Å; Y1068-Q1071 PolarHBondContact O-N 3.28Å; Q1071-L1074 WeakPolarHBondContact O-CB 3.43Å; Q1071-L1074 PolarHBondContact O-N 2.76Å; Q1071-E1075 WeakPolarHBondContact O-CG 3.25Å; Q1071-E1075 PolarHBondContact O-N 3.05Å; Q1071-V1105 HydrophobicContact CG-CG2 4.16Å; Q1071-K1108 HydrophobicContact CB-CG 3.97Å; Q1071-K1108 HydrophobicContact CG-CB 4.27Å; Q1071-K1108 HydrophobicContact CG-CG 3.63Å |
| 1072 | H | 95.5 | Very high | 93.1 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.032 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 176.2 | -173.3 | 88.8 | 0 | 0 | 0 | 112.4 | Q1011 E1015 Y1068 V1069 I1070 L1074 E1075 H1076 | Q1011-H1072 HydrophobicContact CG-CB 3.94Å; E1015-H1072 WeakPolarHBondContact CG-CE1 3.43Å; E1015-H1072 WeakPolarHBondContact CG-NE2 3.38Å; E1015-H1072 IonicContact OE1-CE1 3.74Å; E1015-H1072 PolarHBondContact OE1-CE1 2.92Å; E1015-H1072 IonicContact OE1-ND1 2.77Å; E1015-H1072 PolarHBondContact OE1-ND1 2.76Å; E1015-H1072 IonicContact OE1-NE2 2.71Å; Y1068-H1072 VanDerWaalsContact O-CB 3.3Å; Y1068-H1072 WeakPolarHBondContact O-CB 3.48Å; Y1068-H1072 PolarHBondContact O-N 3.42Å; V1069-H1072 WeakPolarHBondContact O-CB 3.44Å; V1069-H1072 PolarHBondContact O-N 3.03Å; I1070-H1072 VanDerWaalsContact C-N 3.25Å; I1070-H1072 PolarHBondContact O-N 2.8Å; H1072-L1074 VanDerWaalsContact C-N 3.33Å; H1072-L1074 PolarHBondContact O-N 3.28Å; H1072-E1075 PolarHBondContact O-N 3.48Å; H1072-H1076 AromaticContact CD2-ND1 3.98Å; H1072-H1076 AromaticContact CE1-CE1 3.77Å; H1072-H1076 AromaticContact CE1-CG 3.8Å; H1072-H1076 AromaticContact CE1-ND1 3.06Å; H1072-H1076 PolarHBondContact CE1-ND1 3.19Å; H1072-H1076 AromaticContact CG-ND1 3.91Å; H1072-H1076 AromaticContact ND1-CE1 3.93Å; H1072-H1076 AromaticContact ND1-ND1 3.37Å; H1072-H1076 PolarHBondContact ND1-ND1 3.5Å; H1072-H1076 AromaticContact NE2-CG 3.87Å; H1072-H1076 AromaticContact NE2-ND1 3.45Å; H1072-H1076 PolarHBondContact NE2-ND1 3.38Å; H1072-H1076 PolarHBondContact O-N 3.26Å; H1072-H1076 PolarHBondContact O-ND1 2.96Å |
| 1073 | V | 94.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 173.6 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | L1014 L1026 V1069 I1070 E1075 G1077 D1081 K1082 I1085 | L1014-V1073 HydrophobicContact CD1-CG2 3.82Å; L1026-V1073 HydrophobicContact CD2-CG1 4Å; L1026-V1073 HydrophobicContact CD2-CG2 3.69Å; V1069-V1073 PolarHBondContact O-N 3.08Å; I1070-V1073 PolarHBondContact O-N 2.93Å; V1073-E1075 VanDerWaalsContact C-N 3.31Å; V1073-E1075 PolarHBondContact O-N 3.29Å; V1073-G1077 VanDerWaalsContact O-CA 3.25Å; V1073-G1077 WeakPolarHBondContact O-CA 3.48Å; V1073-G1077 PolarHBondContact O-N 3.26Å; V1073-D1081 HydrophobicContact CG1-CB 3.94Å; V1073-K1082 WeakPolarHBondContact O-CE 3.33Å; V1073-I1085 HydrophobicContact CB-CD1 3.83Å; V1073-I1085 HydrophobicContact CG1-CD1 3.57Å |
| 1074 | L | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.8 | -32.4 | 174.1 | -71.6 | 167.3 | 0 | 0 | 0 | 112.8 | I1070 Q1071 H1072 K1082 I1085 V1086 V1105 K1108 C1109 H1112 | I1070-L1074 HydrophobicContact CG2-CD1 4.2Å; I1070-L1074 WeakPolarHBondContact O-CG 3.39Å; I1070-L1074 PolarHBondContact O-N 3.19Å; Q1071-L1074 WeakPolarHBondContact O-CB 3.43Å; Q1071-L1074 PolarHBondContact O-N 2.76Å; H1072-L1074 VanDerWaalsContact C-N 3.33Å; H1072-L1074 PolarHBondContact O-N 3.28Å; L1074-K1082 HydrophobicContact CD2-CB 4.27Å; L1074-K1082 VanDerWaalsContact O-CD 3.3Å; L1074-K1082 WeakPolarHBondContact O-CD 3.39Å; L1074-K1082 WeakPolarHBondContact O-CE 3.41Å; L1074-K1082 PolarHBondContact O-NZ 2.97Å; L1074-I1085 HydrophobicContact CD1-CG2 4Å; L1074-I1085 HydrophobicContact CD2-CB 4.14Å; L1074-I1085 HydrophobicContact CD2-CD1 4.38Å; L1074-I1085 HydrophobicContact CD2-CG2 3.87Å; L1074-I1085 HydrophobicContact CG-CD1 4.24Å; L1074-I1085 HydrophobicContact CG-CG2 4.07Å; L1074-V1086 HydrophobicContact CD2-CG2 4.38Å; L1074-V1105 HydrophobicContact CD1-CG1 3.92Å; L1074-K1108 HydrophobicContact CB-CB 4.06Å; L1074-K1108 HydrophobicContact CD1-CB 3.77Å; L1074-C1109 VanDerWaalsContact CD1-SG 3.55Å; L1074-H1112 WeakPolarHBondContact O-CB 3.1Å |
| 1075 | E | 94.3 | Very high | 92.9 | Very high | 63 Ų | 63 | 41.2 Ų | 41.2 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -77.3 | -60.3 | 175.5 | -73.6 | 174.5 | 161.8 | 0 | 0 | 112 | Q1071 H1072 V1073 K1082 K1108 | Q1071-E1075 WeakPolarHBondContact O-CG 3.25Å; Q1071-E1075 PolarHBondContact O-N 3.05Å; H1072-E1075 PolarHBondContact O-N 3.48Å; V1073-E1075 VanDerWaalsContact C-N 3.31Å; V1073-E1075 PolarHBondContact O-N 3.29Å; E1075-K1082 PolarHBondContact O-NZ 3.37Å; E1075-K1108 HydrophobicContact CG-CD 4.32Å; E1075-K1108 WeakPolarHBondContact OE1-CE 3.26Å; E1075-K1108 IonicContact OE1-NZ 2.76Å; E1075-K1108 PolarHBondContact OE1-NZ 3.47Å |
| 1076 | H | 89.5 | Confident | 92.9 | Very high | 124 Ų | 124 | 38.1 Ų | 38.1 | 57% | 0.574 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -107.1 | -16.4 | -164.2 | -51.1 | 99.1 | 0 | 0 | 0 | 114.5 | H1072 | H1072-H1076 AromaticContact CD2-ND1 3.98Å; H1072-H1076 AromaticContact CE1-CE1 3.77Å; H1072-H1076 AromaticContact CE1-CG 3.8Å; H1072-H1076 AromaticContact CE1-ND1 3.06Å; H1072-H1076 PolarHBondContact CE1-ND1 3.19Å; H1072-H1076 AromaticContact CG-ND1 3.91Å; H1072-H1076 AromaticContact ND1-CE1 3.93Å; H1072-H1076 AromaticContact ND1-ND1 3.37Å; H1072-H1076 PolarHBondContact ND1-ND1 3.5Å; H1072-H1076 AromaticContact NE2-CG 3.87Å; H1072-H1076 AromaticContact NE2-ND1 3.45Å; H1072-H1076 PolarHBondContact NE2-ND1 3.38Å; H1072-H1076 PolarHBondContact O-N 3.26Å; H1072-H1076 PolarHBondContact O-ND1 2.96Å |
| 1077 | G | 88.5 | Confident | 92.7 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 25% | 0.247 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -69.3 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1073 K1082 | V1073-G1077 VanDerWaalsContact O-CA 3.25Å; V1073-G1077 WeakPolarHBondContact O-CA 3.48Å; V1073-G1077 PolarHBondContact O-N 3.26Å; G1077-K1082 WeakPolarHBondContact O-CE 3.45Å |
| 1078 | R | 89.3 | Confident | 92.4 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | trans | -72.4 | 149.7 | 179 | -52.7 | 179.1 | -55.7 | 129.7 | 11 | 110.9 | E1080 D1081 K1082 | R1078-E1080 VanDerWaalsContact C-N 3.27Å; R1078-E1080 IonicContact CZ-OE1 3.51Å; R1078-E1080 IonicContact CZ-OE2 2.8Å; R1078-E1080 IonicContact NH1-OE1 3.63Å; R1078-E1080 PolarHBondContact NH1-OE1 3.06Å; R1078-E1080 IonicContact NH1-OE2 2.71Å; R1078-E1080 PolarHBondContact NH1-OE2 3.12Å; R1078-E1080 IonicContact NH2-OE2 2.69Å; R1078-E1080 PolarHBondContact NH2-OE2 3.44Å; R1078-E1080 PolarHBondContact O-N 2.94Å; R1078-D1081 IonicContact CZ-OD2 3.94Å; R1078-D1081 VanDerWaalsContact CZ-OD2 3.23Å; R1078-D1081 IonicContact NE-OD2 2.67Å; R1078-D1081 PolarHBondContact NE-OD2 2.93Å; R1078-D1081 IonicContact NH2-OD1 2.7Å; R1078-D1081 PolarHBondContact NH2-OD1 3.06Å; R1078-D1081 IonicContact NH2-OD2 2.72Å; R1078-D1081 PolarHBondContact NH2-OD2 3.25Å; R1078-D1081 PolarHBondContact O-N 3.22Å; R1078-K1082 PolarHBondContact O-N 2.82Å | ||
| 1079 | P | 91.9 | Very high | 92.1 | Very high | 104 Ų | 104 | 37.3 Ų | 37.3 | 68% | 0.675 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -51.5 | -42.4 | 179 | -28.5 | 35.9 | 0 | 0 | 0 | 113.9 | D1081 K1082 S1083 | P1079-D1081 VanDerWaalsContact C-N 3.28Å; P1079-D1081 PolarHBondContact O-N 3.46Å; P1079-K1082 WeakPolarHBondContact O-CB 3.35Å; P1079-K1082 PolarHBondContact O-N 3.14Å; P1079-K1082 VanDerWaalsContact O-N 3.15Å; P1079-S1083 PolarHBondContact O-N 2.86Å; P1079-S1083 PolarHBondContact O-OG 3.23Å |
| 1080 | E | 90.8 | Very high | 92 | Very high | 109 Ų | 109 | 44 Ų | 44 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -51 | -44.7 | 174.9 | -64.5 | 158 | -127.1 | 0 | 0 | 113.2 | R1078 S1083 K1084 | R1078-E1080 VanDerWaalsContact C-N 3.27Å; R1078-E1080 IonicContact CZ-OE1 3.51Å; R1078-E1080 IonicContact CZ-OE2 2.8Å; R1078-E1080 IonicContact NH1-OE1 3.63Å; R1078-E1080 PolarHBondContact NH1-OE1 3.06Å; R1078-E1080 IonicContact NH1-OE2 2.71Å; R1078-E1080 PolarHBondContact NH1-OE2 3.12Å; R1078-E1080 IonicContact NH2-OE2 2.69Å; R1078-E1080 PolarHBondContact NH2-OE2 3.44Å; R1078-E1080 PolarHBondContact O-N 2.94Å; E1080-S1083 PolarHBondContact O-N 3.21Å; E1080-K1084 WeakPolarHBondContact O-CG 3.33Å; E1080-K1084 PolarHBondContact O-N 3.48Å; E1080-K1084 VanDerWaalsContact O-N 3.12Å |
| 1081 | D | 89.8 | Confident | 91.8 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -77.7 | -29.5 | -176.4 | -62.1 | -55.9 | 0 | 0 | 0 | 111.7 | H1030 V1073 R1078 P1079 K1084 I1085 | H1030-D1081 IonicContact CD2-OD1 3.62Å; H1030-D1081 IonicContact CE1-OD1 2.66Å; H1030-D1081 IonicContact NE2-OD1 3.74Å; H1030-D1081 PolarHBondContact NE2-OD1 3.45Å; V1073-D1081 HydrophobicContact CG1-CB 3.94Å; R1078-D1081 IonicContact CZ-OD2 3.94Å; R1078-D1081 VanDerWaalsContact CZ-OD2 3.23Å; R1078-D1081 IonicContact NE-OD2 2.67Å; R1078-D1081 PolarHBondContact NE-OD2 2.93Å; R1078-D1081 IonicContact NH2-OD1 2.7Å; R1078-D1081 PolarHBondContact NH2-OD1 3.06Å; R1078-D1081 IonicContact NH2-OD2 2.72Å; R1078-D1081 PolarHBondContact NH2-OD2 3.25Å; R1078-D1081 PolarHBondContact O-N 3.22Å; P1079-D1081 VanDerWaalsContact C-N 3.28Å; P1079-D1081 PolarHBondContact O-N 3.46Å; D1081-K1084 IonicContact OD1-NZ 3.94Å; D1081-K1084 PolarHBondContact OD1-NZ 3.14Å; D1081-I1085 WeakPolarHBondContact O-CD1 3.47Å; D1081-I1085 WeakPolarHBondContact O-CG1 3.42Å; D1081-I1085 PolarHBondContact O-N 3.35Å |
| 1082 | K | 92.2 | Very high | 91.7 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 13% | 0.13 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 168.8 | -54.2 | -171.8 | -170.4 | -159.6 | 0 | 111 | V1073 L1074 E1075 G1077 R1078 P1079 K1084 I1085 V1086 | V1073-K1082 WeakPolarHBondContact O-CE 3.33Å; L1074-K1082 HydrophobicContact CD2-CB 4.27Å; L1074-K1082 VanDerWaalsContact O-CD 3.3Å; L1074-K1082 WeakPolarHBondContact O-CD 3.39Å; L1074-K1082 WeakPolarHBondContact O-CE 3.41Å; L1074-K1082 PolarHBondContact O-NZ 2.97Å; E1075-K1082 PolarHBondContact O-NZ 3.37Å; G1077-K1082 WeakPolarHBondContact O-CE 3.45Å; R1078-K1082 PolarHBondContact O-N 2.82Å; P1079-K1082 WeakPolarHBondContact O-CB 3.35Å; P1079-K1082 PolarHBondContact O-N 3.14Å; P1079-K1082 VanDerWaalsContact O-N 3.15Å; K1082-K1084 PolarHBondContact O-N 3.29Å; K1082-I1085 PolarHBondContact O-N 3.14Å; K1082-V1086 VanDerWaalsContact O-CG2 3.26Å; K1082-V1086 WeakPolarHBondContact O-CG2 3.42Å; K1082-V1086 PolarHBondContact O-N 2.61Å |
| 1083 | S | 93.1 | Very high | 91.7 | Very high | 47 Ų | 47 | 48 Ų | 48 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 178.4 | -65.6 | 0 | 0 | 0 | 0 | 112.7 | P1079 E1080 V1086 A1087 E1117 | P1079-S1083 PolarHBondContact O-N 2.86Å; P1079-S1083 PolarHBondContact O-OG 3.23Å; E1080-S1083 PolarHBondContact O-N 3.21Å; S1083-V1086 PolarHBondContact O-N 2.9Å; S1083-A1087 WeakPolarHBondContact O-CB 3.49Å; S1083-A1087 PolarHBondContact O-N 3.49Å; S1083-E1117 VanDerWaalsContact CA-OE1 3.24Å; S1083-E1117 WeakPolarHBondContact CA-OE1 3.17Å; S1083-E1117 WeakPolarHBondContact CB-OE1 3.45Å; S1083-E1117 PolarHBondContact OG-OE1 3.25Å |
| 1084 | K | 89.9 | Confident | 91.8 | Very high | 83 Ų | 83 | 48.5 Ų | 48.5 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.7 | -52.8 | 171.5 | -68.1 | 166.8 | -165.7 | 167 | 0 | 111.4 | H1030 E1080 D1081 K1082 V1086 A1087 E1088 | H1030-K1084 WeakPolarHBondContact NE2-CD 3.24Å; E1080-K1084 WeakPolarHBondContact O-CG 3.33Å; E1080-K1084 PolarHBondContact O-N 3.48Å; E1080-K1084 VanDerWaalsContact O-N 3.12Å; D1081-K1084 IonicContact OD1-NZ 3.94Å; D1081-K1084 PolarHBondContact OD1-NZ 3.14Å; K1082-K1084 PolarHBondContact O-N 3.29Å; K1084-V1086 VanDerWaalsContact C-N 3.33Å; K1084-V1086 PolarHBondContact O-N 3.46Å; K1084-A1087 WeakPolarHBondContact O-CB 3.42Å; K1084-A1087 PolarHBondContact O-N 2.93Å; K1084-E1088 PolarHBondContact O-N 3.41Å; K1084-E1088 VanDerWaalsContact O-N 3.08Å |
| 1085 | I | 91.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 179.7 | -65.8 | 161.7 | 0 | 0 | 0 | 111.2 | F1061 I1070 V1073 L1074 D1081 K1082 E1088 V1089 | F1061-I1085 HydrophobicContact CE1-CG2 4.08Å; F1061-I1085 HydrophobicContact CZ-CG2 4.44Å; I1070-I1085 HydrophobicContact CG2-CD1 4.05Å; I1070-I1085 HydrophobicContact CG2-CG1 4.33Å; I1070-I1085 HydrophobicContact CG2-CG2 3.65Å; V1073-I1085 HydrophobicContact CB-CD1 3.83Å; V1073-I1085 HydrophobicContact CG1-CD1 3.57Å; L1074-I1085 HydrophobicContact CD1-CG2 4Å; L1074-I1085 HydrophobicContact CD2-CB 4.14Å; L1074-I1085 HydrophobicContact CD2-CD1 4.38Å; L1074-I1085 HydrophobicContact CD2-CG2 3.87Å; L1074-I1085 HydrophobicContact CG-CD1 4.24Å; L1074-I1085 HydrophobicContact CG-CG2 4.07Å; D1081-I1085 WeakPolarHBondContact O-CD1 3.47Å; D1081-I1085 WeakPolarHBondContact O-CG1 3.42Å; D1081-I1085 PolarHBondContact O-N 3.35Å; K1082-I1085 PolarHBondContact O-N 3.14Å; I1085-E1088 PolarHBondContact O-N 3.32Å; I1085-V1089 WeakPolarHBondContact O-CG2 3.16Å; I1085-V1089 PolarHBondContact O-N 3.26Å |
| 1086 | V | 93.2 | Very high | 91.9 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.1 | -37 | 178.7 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | L1074 K1082 S1083 K1084 E1088 V1089 R1090 C1109 E1117 L1121 | L1074-V1086 HydrophobicContact CD2-CG2 4.38Å; K1082-V1086 VanDerWaalsContact O-CG2 3.26Å; K1082-V1086 WeakPolarHBondContact O-CG2 3.42Å; K1082-V1086 PolarHBondContact O-N 2.61Å; S1083-V1086 PolarHBondContact O-N 2.9Å; K1084-V1086 VanDerWaalsContact C-N 3.33Å; K1084-V1086 PolarHBondContact O-N 3.46Å; V1086-E1088 VanDerWaalsContact C-N 3.32Å; V1086-E1088 PolarHBondContact O-N 2.9Å; V1086-V1089 PolarHBondContact O-N 2.88Å; V1086-R1090 PolarHBondContact O-N 2.95Å; V1086-C1109 HydrophobicContact CG2-CB 4.09Å; V1086-E1117 HydrophobicContact CG1-CB 4.03Å; V1086-E1117 HydrophobicContact CG1-CG 4.35Å; V1086-L1121 HydrophobicContact CG1-CD1 3.93Å; V1086-L1121 HydrophobicContact CG1-CD2 4.25Å; V1086-L1121 HydrophobicContact CG1-CG 4.19Å |
| 1087 | A | 90.9 | Very high | 92.3 | Very high | 68 Ų | 68 | 44 Ų | 44 | 56% | 0.562 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.7 | -35.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1083 K1084 | S1083-A1087 WeakPolarHBondContact O-CB 3.49Å; S1083-A1087 PolarHBondContact O-N 3.49Å; K1084-A1087 WeakPolarHBondContact O-CB 3.42Å; K1084-A1087 PolarHBondContact O-N 2.93Å |
| 1088 | E | 88.1 | Confident | 92.6 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74.7 | -27.5 | 174.4 | -68.3 | -157.6 | 129.3 | 0 | 0 | 113.9 | R1057 F1061 K1084 I1085 V1086 K1092 | R1057-E1088 WeakPolarHBondContact CD-OE1 3.25Å; R1057-E1088 IonicContact NE-OE1 2.62Å; R1057-E1088 PolarHBondContact NE-OE1 3.02Å; R1057-E1088 VanDerWaalsContact NE-OE1 3.12Å; F1061-E1088 HydrophobicContact CE2-CB 4.03Å; F1061-E1088 HydrophobicContact CZ-CB 3.95Å; K1084-E1088 PolarHBondContact O-N 3.41Å; K1084-E1088 VanDerWaalsContact O-N 3.08Å; I1085-E1088 PolarHBondContact O-N 3.32Å; V1086-E1088 VanDerWaalsContact C-N 3.32Å; V1086-E1088 PolarHBondContact O-N 2.9Å; E1088-K1092 WeakPolarHBondContact O-CD 3.47Å; E1088-K1092 WeakPolarHBondContact O-CE 3.33Å; E1088-K1092 PolarHBondContact O-NZ 3.42Å |
| 1089 | V | 91.8 | Very high | 93 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -76.8 | -28.9 | 175.1 | 167.1 | 0 | 0 | 0 | 0 | 112.2 | F1061 I1085 V1086 K1092 V1093 L1096 V1106 L1121 | F1061-V1089 HydrophobicContact CD2-CG2 4.46Å; F1061-V1089 HydrophobicContact CE2-CG2 4.2Å; F1061-V1089 HydrophobicContact CZ-CG2 4.43Å; I1085-V1089 WeakPolarHBondContact O-CG2 3.16Å; I1085-V1089 PolarHBondContact O-N 3.26Å; V1086-V1089 PolarHBondContact O-N 2.88Å; V1089-K1092 PolarHBondContact O-N 3.08Å; V1089-V1093 HydrophobicContact CG1-CG2 4.14Å; V1089-V1093 PolarHBondContact O-N 2.88Å; V1089-L1096 HydrophobicContact CB-CD1 4.24Å; V1089-L1096 HydrophobicContact CG1-CD1 4.15Å; V1089-L1096 HydrophobicContact CG2-CD1 4Å; V1089-V1106 HydrophobicContact CG1-CG2 4.06Å; V1089-L1121 HydrophobicContact CG1-CD2 4.14Å |
| 1090 | R | 92.4 | Very high | 93.2 | Very high | 142 Ų | 142 | 47 Ų | 47 | 54% | 0.536 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 143.1 | 177 | -168.9 | -178.9 | 177.7 | -159.2 | -2.1 | 111.8 | V1086 K1092 L1121 E1124 | V1086-R1090 PolarHBondContact O-N 2.95Å; R1090-K1092 PolarHBondContact O-N 3.35Å; R1090-L1121 HydrophobicContact CB-CD2 4.49Å; R1090-E1124 WeakPolarHBondContact CG-OE2 3.49Å |
| 1091 | G | 90.8 | Very high | 93.5 | Very high | 53 Ų | 53 | 44.3 Ų | 44.3 | 55% | 0.546 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | -6.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1124 | G1091-E1124 VanDerWaalsContact CA-OE1 3.26Å; G1091-E1124 WeakPolarHBondContact CA-OE1 3.44Å; G1091-E1124 PolarHBondContact N-OE1 2.62Å; G1091-E1124 VanDerWaalsContact N-OE1 3.08Å; G1091-E1124 PolarHBondContact N-OE2 2.57Å |
| 1092 | K | 93.2 | Very high | 93.8 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 26% | 0.261 | 23% | 0.233 | S | C | . | . | trans | -126.5 | 6.5 | -174.8 | -50.9 | 175.8 | -164 | 150.5 | 0 | 112.6 | D1058 E1088 V1089 R1090 L1094 V1095 L1096 E1124 | D1058-K1092 WeakPolarHBondContact OD1-CD 3.41Å; D1058-K1092 WeakPolarHBondContact OD1-CE 3.27Å; D1058-K1092 IonicContact OD1-NZ 2.72Å; D1058-K1092 PolarHBondContact OD1-NZ 3.04Å; E1088-K1092 WeakPolarHBondContact O-CD 3.47Å; E1088-K1092 WeakPolarHBondContact O-CE 3.33Å; E1088-K1092 PolarHBondContact O-NZ 3.42Å; V1089-K1092 PolarHBondContact O-N 3.08Å; R1090-K1092 PolarHBondContact O-N 3.35Å; K1092-L1094 VanDerWaalsContact C-N 3.31Å; K1092-L1094 PolarHBondContact O-N 3.06Å; K1092-V1095 PolarHBondContact O-N 3.16Å; K1092-L1096 HydrophobicContact CB-CD1 3.84Å; K1092-L1096 HydrophobicContact CB-CG 3.98Å; K1092-L1096 HydrophobicContact CD-CD1 4.45Å; K1092-L1096 PolarHBondContact O-N 2.84Å; K1092-E1124 PolarHBondContact N-OE1 2.83Å; K1092-E1124 VanDerWaalsContact N-OE1 3.12Å | ||
| 1093 | V | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -41.8 | -166.8 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | V1089 S1097 V1106 L1121 E1124 V1125 M1152 | V1089-V1093 HydrophobicContact CG1-CG2 4.14Å; V1089-V1093 PolarHBondContact O-N 2.88Å; V1093-S1097 WeakPolarHBondContact O-CB 3.4Å; V1093-S1097 PolarHBondContact O-N 3.04Å; V1093-S1097 PolarHBondContact O-OG 3.19Å; V1093-V1106 HydrophobicContact CG1-CG1 3.92Å; V1093-L1121 HydrophobicContact CG2-CD2 3.62Å; V1093-E1124 VanDerWaalsContact CB-OE1 3.32Å; V1093-E1124 WeakPolarHBondContact CB-OE1 3.47Å; V1093-E1124 HydrophobicContact CG2-CG 4.47Å; V1093-E1124 VanDerWaalsContact CG2-OE1 3.25Å; V1093-E1124 WeakPolarHBondContact CG2-OE1 3.26Å; V1093-E1124 PolarHBondContact N-OE1 2.95Å; V1093-V1125 HydrophobicContact CB-CG2 4.02Å; V1093-V1125 HydrophobicContact CG1-CG2 3.38Å; V1093-M1152 HydrophobicContact CG1-CE 3.89Å |
| 1094 | L | 95.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 43.4 Ų | 43.4 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.3 | -52.2 | 174.1 | 173.9 | 61.4 | 0 | 0 | 0 | 112.7 | K1092 S1097 Q1098 Q1128 D1130 A1135 M1139 | K1092-L1094 VanDerWaalsContact C-N 3.31Å; K1092-L1094 PolarHBondContact O-N 3.06Å; L1094-S1097 PolarHBondContact O-N 3.04Å; L1094-Q1098 VanDerWaalsContact CD1-NE2 3.28Å; L1094-Q1098 WeakPolarHBondContact O-CG 3.47Å; L1094-Q1098 PolarHBondContact O-N 2.81Å; L1094-Q1128 VanDerWaalsContact CB-OE1 3.27Å; L1094-D1130 HydrophobicContact CD2-CB 3.89Å; L1094-A1135 HydrophobicContact CB-CB 4.33Å; L1094-A1135 HydrophobicContact CD1-CB 4.06Å; L1094-A1135 HydrophobicContact CD2-CB 4.03Å; L1094-A1135 HydrophobicContact CG-CB 4.37Å; L1094-M1139 HydrophobicContact CD1-CG 3.53Å; L1094-M1139 HydrophobicContact CD1-SD 4.05Å |
| 1095 | V | 94.8 | Very high | 94.7 | Very high | 91 Ų | 91 | 39.5 Ų | 39.5 | 55% | 0.552 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -70.9 | -41.4 | -174.2 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | K1092 Q1098 | K1092-V1095 PolarHBondContact O-N 3.16Å; V1095-Q1098 PolarHBondContact O-N 3.42Å |
| 1096 | L | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.1 | -34.8 | 177.2 | -63.9 | 177.2 | 0 | 0 | 0 | 111.8 | D1058 F1061 K1062 V1089 K1092 Q1098 H1099 A1102 S1103 V1106 | D1058-L1096 HydrophobicContact CB-CD2 4.32Å; F1061-L1096 HydrophobicContact CD2-CD1 4.24Å; K1062-L1096 VanDerWaalsContact CE-CD2 3.5Å; V1089-L1096 HydrophobicContact CB-CD1 4.24Å; V1089-L1096 HydrophobicContact CG1-CD1 4.15Å; V1089-L1096 HydrophobicContact CG2-CD1 4Å; K1092-L1096 HydrophobicContact CB-CD1 3.84Å; K1092-L1096 HydrophobicContact CB-CG 3.98Å; K1092-L1096 HydrophobicContact CD-CD1 4.45Å; K1092-L1096 PolarHBondContact O-N 2.84Å; L1096-Q1098 VanDerWaalsContact C-N 3.3Å; L1096-Q1098 PolarHBondContact O-N 3.14Å; L1096-H1099 PolarHBondContact O-N 3.34Å; L1096-H1099 VanDerWaalsContact O-N 3.14Å; L1096-A1102 HydrophobicContact CB-CB 4.11Å; L1096-A1102 HydrophobicContact CD2-CB 3.96Å; L1096-A1102 CarbonylContact O-C 3.41Å; L1096-S1103 PolarHBondContact O-N 2.72Å; L1096-S1103 VanDerWaalsContact O-N 3.14Å; L1096-V1106 HydrophobicContact CB-CG2 3.63Å |
| 1097 | S | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -31.8 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | V1093 L1094 H1099 S1103 M1139 Y1144 A1145 | V1093-S1097 WeakPolarHBondContact O-CB 3.4Å; V1093-S1097 PolarHBondContact O-N 3.04Å; V1093-S1097 PolarHBondContact O-OG 3.19Å; L1094-S1097 PolarHBondContact O-N 3.04Å; S1097-H1099 PolarHBondContact O-N 3.46Å; S1097-S1103 WeakPolarHBondContact O-CB 3.38Å; S1097-M1139 WeakPolarHBondContact OG-CE 3.4Å; S1097-Y1144 CarbonylContact O-C 3.09Å; S1097-Y1144 WeakPolarHBondContact O-CB 3.36Å; S1097-A1145 VanDerWaalsContact O-CA 3.25Å; S1097-A1145 WeakPolarHBondContact O-CA 3.31Å; S1097-A1145 WeakPolarHBondContact O-CB 3.27Å; S1097-A1145 PolarHBondContact O-N 3.27Å; S1097-A1145 VanDerWaalsContact O-N 3.08Å |
| 1098 | Q | 96.7 | Very high | 95.5 | Very high | 72 Ų | 72 | 39.2 Ų | 39.2 | 34% | 0.336 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -3.7 | 176.1 | -67.3 | 175.8 | 19.3 | 0 | 0 | 113.2 | L1094 V1095 L1096 D1142 Y1144 A1145 | L1094-Q1098 VanDerWaalsContact CD1-NE2 3.28Å; L1094-Q1098 WeakPolarHBondContact O-CG 3.47Å; L1094-Q1098 PolarHBondContact O-N 2.81Å; V1095-Q1098 PolarHBondContact O-N 3.42Å; L1096-Q1098 VanDerWaalsContact C-N 3.3Å; L1096-Q1098 PolarHBondContact O-N 3.14Å; Q1098-D1142 HydrophobicContact CG-CB 4.34Å; Q1098-Y1144 WeakPolarHBondContact O-CD2 3.49Å; Q1098-A1145 HydrophobicContact CG-CB 4.28Å |
| 1099 | H | 96.6 | Very high | 96 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 31% | 0.306 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -102.7 | 123.2 | -175.3 | -171.3 | -100.3 | 0 | 0 | 0 | 112.4 | K1062 L1096 S1097 F1101 A1102 S1103 | K1062-H1099 PolarHBondContact O-CE1 3.43Å; K1062-H1099 VanDerWaalsContact O-CE1 3.27Å; L1096-H1099 PolarHBondContact O-N 3.34Å; L1096-H1099 VanDerWaalsContact O-N 3.14Å; S1097-H1099 PolarHBondContact O-N 3.46Å; H1099-F1101 PolarHBondContact O-N 3.12Å; H1099-A1102 HydrophobicContact CB-CB 4.08Å; H1099-A1102 PolarHBondContact O-N 3.15Å; H1099-S1103 WeakPolarHBondContact O-CB 3.35Å; H1099-S1103 PolarHBondContact O-N 3.19Å; H1099-S1103 PolarHBondContact O-OG 2.9Å |
| 1100 | K | 96.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 37.4 Ų | 37.4 | 45% | 0.452 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -38.2 | -42 | -175 | -176.7 | 178 | -175.2 | 65 | 0 | 116.3 | N1104 Y1144 | K1100-N1104 PolarHBondContact O-ND2 2.77Å; K1100-Y1144 HydrophobicContact CB-CD1 4.44Å; K1100-Y1144 HydrophobicContact CB-CD2 4.43Å; K1100-Y1144 HydrophobicContact CB-CE1 3.9Å; K1100-Y1144 HydrophobicContact CB-CE2 3.88Å; K1100-Y1144 HydrophobicContact CG-CE1 3.77Å |
| 1101 | F | 96.8 | Very high | 96.5 | Very high | 53 Ų | 53 | 32.8 Ų | 32.8 | 23% | 0.232 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -35 | -177.8 | -60 | -63.4 | 0 | 0 | 0 | 112.8 | F1061 K1062 Q1064 N1067 H1099 N1104 | F1061-F1101 CarbonylContact O-C 3.59Å; K1062-F1101 WeakPolarHBondContact O-CD2 3.4Å; Q1064-F1101 HydrophobicContact CB-CD1 4.39Å; Q1064-F1101 HydrophobicContact CB-CD2 4.29Å; Q1064-F1101 HydrophobicContact CB-CE1 3.85Å; Q1064-F1101 HydrophobicContact CB-CE2 3.74Å; Q1064-F1101 HydrophobicContact CB-CZ 3.49Å; Q1064-F1101 VanDerWaalsContact CB-CZ 3.49Å; N1067-F1101 HydrophobicContact CB-CB 4.14Å; H1099-F1101 PolarHBondContact O-N 3.12Å; F1101-N1104 WeakPolarHBondContact CA-ND2 3.03Å; F1101-N1104 PolarHBondContact O-ND2 3.41Å |
| 1102 | A | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -80.8 | -22.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1061 K1062 L1096 H1099 N1104 V1105 V1106 | F1061-A1102 HydrophobicContact CB-CB 4.01Å; F1061-A1102 VanDerWaalsContact O-CA 3.22Å; F1061-A1102 WeakPolarHBondContact O-CA 3.3Å; F1061-A1102 VanDerWaalsContact O-CB 3.3Å; F1061-A1102 WeakPolarHBondContact O-CB 3.46Å; F1061-A1102 PolarHBondContact O-N 2.89Å; K1062-A1102 HydrophobicContact CG-CB 4.4Å; L1096-A1102 HydrophobicContact CB-CB 4.11Å; L1096-A1102 HydrophobicContact CD2-CB 3.96Å; L1096-A1102 CarbonylContact O-C 3.41Å; H1099-A1102 HydrophobicContact CB-CB 4.08Å; H1099-A1102 PolarHBondContact O-N 3.15Å; A1102-N1104 PolarHBondContact O-N 2.99Å; A1102-V1105 WeakPolarHBondContact O-CA 3.33Å; A1102-V1105 WeakPolarHBondContact O-CB 3.18Å; A1102-V1105 PolarHBondContact O-N 3.08Å; A1102-V1106 WeakPolarHBondContact O-CG2 3.48Å; A1102-V1106 PolarHBondContact O-N 2.75Å |
| 1103 | S | 98.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.2 | -38.8 | 172.3 | 62.8 | 0 | 0 | 0 | 0 | 111.9 | L1096 S1097 H1099 V1106 E1107 | L1096-S1103 PolarHBondContact O-N 2.72Å; L1096-S1103 VanDerWaalsContact O-N 3.14Å; S1097-S1103 WeakPolarHBondContact O-CB 3.38Å; H1099-S1103 WeakPolarHBondContact O-CB 3.35Å; H1099-S1103 PolarHBondContact O-N 3.19Å; H1099-S1103 PolarHBondContact O-OG 2.9Å; S1103-V1106 PolarHBondContact O-N 2.92Å; S1103-E1107 PolarHBondContact O-N 3.28Å |
| 1104 | N | 98.1 | Very high | 96.7 | Very high | 55 Ų | 55 | 33.6 Ų | 33.6 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.1 | -39 | 176.5 | -42.5 | -81 | 0 | 0 | 0 | 111.3 | K1100 F1101 A1102 E1107 K1108 | K1100-N1104 PolarHBondContact O-ND2 2.77Å; F1101-N1104 WeakPolarHBondContact CA-ND2 3.03Å; F1101-N1104 PolarHBondContact O-ND2 3.41Å; A1102-N1104 PolarHBondContact O-N 2.99Å; N1104-E1107 PolarHBondContact O-N 3.19Å; N1104-K1108 WeakPolarHBondContact O-CG 3.44Å; N1104-K1108 PolarHBondContact O-N 3.22Å |
| 1105 | V | 97.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 172.8 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | F1061 N1067 I1070 Q1071 L1074 A1102 E1107 K1108 C1109 | F1061-V1105 HydrophobicContact CB-CG2 4.36Å; F1061-V1105 HydrophobicContact CD1-CG1 3.99Å; F1061-V1105 HydrophobicContact CG-CG1 4.42Å; N1067-V1105 HydrophobicContact CB-CG2 3.99Å; I1070-V1105 HydrophobicContact CB-CG2 4.5Å; I1070-V1105 HydrophobicContact CG2-CG1 3.67Å; I1070-V1105 HydrophobicContact CG2-CG2 4.48Å; Q1071-V1105 HydrophobicContact CG-CG2 4.16Å; L1074-V1105 HydrophobicContact CD1-CG1 3.92Å; A1102-V1105 WeakPolarHBondContact O-CA 3.33Å; A1102-V1105 WeakPolarHBondContact O-CB 3.18Å; A1102-V1105 PolarHBondContact O-N 3.08Å; V1105-E1107 PolarHBondContact O-N 3.35Å; V1105-K1108 CarbonylContact O-C 3.15Å; V1105-K1108 PolarHBondContact O-N 3.03Å; V1105-K1108 VanDerWaalsContact O-N 3.14Å; V1105-C1109 PolarHBondContact O-N 2.9Å; V1105-C1109 PolarHBondContact O-SG 2.75Å; V1105-C1109 VanDerWaalsContact O-SG 3.35Å |
| 1106 | V | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | V1089 V1093 L1096 A1102 S1103 K1108 C1109 V1110 V1148 | V1089-V1106 HydrophobicContact CG1-CG2 4.06Å; V1093-V1106 HydrophobicContact CG1-CG1 3.92Å; L1096-V1106 HydrophobicContact CB-CG2 3.63Å; A1102-V1106 WeakPolarHBondContact O-CG2 3.48Å; A1102-V1106 PolarHBondContact O-N 2.75Å; S1103-V1106 PolarHBondContact O-N 2.92Å; V1106-K1108 PolarHBondContact O-N 2.94Å; V1106-C1109 WeakPolarHBondContact O-CB 2.93Å; V1106-C1109 PolarHBondContact O-N 3.3Å; V1106-V1110 WeakPolarHBondContact O-CG2 3.24Å; V1106-V1110 PolarHBondContact O-N 2.82Å; V1106-V1148 HydrophobicContact CB-CG1 4.4Å; V1106-V1148 HydrophobicContact CB-CG2 4.28Å; V1106-V1148 HydrophobicContact CG1-CG1 3.59Å; V1106-V1148 HydrophobicContact CG1-CG2 4.34Å |
| 1107 | E | 98.2 | Very high | 96.8 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 172.2 | -77.5 | -164.1 | -113.6 | 0 | 0 | 112.1 | S1103 N1104 V1105 V1110 I1111 Y1147 V1148 R1151 | S1103-E1107 PolarHBondContact O-N 3.28Å; N1104-E1107 PolarHBondContact O-N 3.19Å; V1105-E1107 PolarHBondContact O-N 3.35Å; E1107-V1110 PolarHBondContact O-N 3.48Å; E1107-I1111 WeakPolarHBondContact O-CD1 3.32Å; E1107-I1111 WeakPolarHBondContact O-CG1 3.25Å; E1107-I1111 PolarHBondContact O-N 3.28Å; E1107-Y1147 WeakPolarHBondContact OE1-CB 3.26Å; E1107-V1148 HydrophobicContact CG-CG2 4.06Å; E1107-R1151 HydrophobicContact CB-CG 4.28Å; E1107-R1151 HydrophobicContact CG-CB 3.98Å; E1107-R1151 HydrophobicContact CG-CG 4.21Å; E1107-R1151 IonicContact OE2-CZ 3.91Å; E1107-R1151 IonicContact OE2-NE 2.7Å; E1107-R1151 PolarHBondContact OE2-NE 3.33Å; E1107-R1151 IonicContact OE2-NH2 2.71Å; E1107-R1151 PolarHBondContact OE2-NH2 3.32Å |
| 1108 | K | 97.6 | Very high | 96.7 | Very high | 47 Ų | 47 | 43.8 Ų | 43.8 | 20% | 0.204 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67 | -36.8 | 176.2 | -65.8 | -61.7 | 177 | 168.7 | 0 | 112.7 | Q1071 L1074 E1075 N1104 V1105 V1106 V1110 I1111 H1112 | Q1071-K1108 HydrophobicContact CB-CG 3.97Å; Q1071-K1108 HydrophobicContact CG-CB 4.27Å; Q1071-K1108 HydrophobicContact CG-CG 3.63Å; L1074-K1108 HydrophobicContact CB-CB 4.06Å; L1074-K1108 HydrophobicContact CD1-CB 3.77Å; E1075-K1108 HydrophobicContact CG-CD 4.32Å; E1075-K1108 WeakPolarHBondContact OE1-CE 3.26Å; E1075-K1108 IonicContact OE1-NZ 2.76Å; E1075-K1108 PolarHBondContact OE1-NZ 3.47Å; N1104-K1108 WeakPolarHBondContact O-CG 3.44Å; N1104-K1108 PolarHBondContact O-N 3.22Å; V1105-K1108 CarbonylContact O-C 3.15Å; V1105-K1108 PolarHBondContact O-N 3.03Å; V1105-K1108 VanDerWaalsContact O-N 3.14Å; V1106-K1108 PolarHBondContact O-N 2.94Å; K1108-V1110 VanDerWaalsContact C-N 3.34Å; K1108-V1110 PolarHBondContact O-N 2.95Å; K1108-I1111 HydrophobicContact CD-CD1 4.28Å; K1108-I1111 PolarHBondContact O-N 3.49Å; K1108-H1112 WeakPolarHBondContact O-CB 3.49Å; K1108-H1112 PolarHBondContact O-CD2 3.16Å; K1108-H1112 PolarHBondContact O-N 2.61Å |
| 1109 | C | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 170.8 | -71.1 | 0 | 0 | 0 | 0 | 110.8 | L1074 V1086 V1105 V1106 I1111 S1113 L1121 | L1074-C1109 VanDerWaalsContact CD1-SG 3.55Å; V1086-C1109 HydrophobicContact CG2-CB 4.09Å; V1105-C1109 PolarHBondContact O-N 2.9Å; V1105-C1109 PolarHBondContact O-SG 2.75Å; V1105-C1109 VanDerWaalsContact O-SG 3.35Å; V1106-C1109 WeakPolarHBondContact O-CB 2.93Å; V1106-C1109 PolarHBondContact O-N 3.3Å; C1109-I1111 PolarHBondContact O-N 2.84Å; C1109-S1113 WeakPolarHBondContact O-CB 3.14Å; C1109-S1113 PolarHBondContact O-N 3.29Å; C1109-S1113 VanDerWaalsContact O-N 3.16Å; C1109-S1113 PolarHBondContact O-OG 3.35Å; C1109-L1121 HydrophobicContact CB-CD1 3.81Å |
| 1110 | V | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | V1106 E1107 K1108 R1118 L1121 R1151 M1152 M1155 | V1106-V1110 WeakPolarHBondContact O-CG2 3.24Å; V1106-V1110 PolarHBondContact O-N 2.82Å; E1107-V1110 PolarHBondContact O-N 3.48Å; K1108-V1110 VanDerWaalsContact C-N 3.34Å; K1108-V1110 PolarHBondContact O-N 2.95Å; V1110-R1118 HydrophobicContact CG1-CG 4.46Å; V1110-R1118 VanDerWaalsContact O-CD 3.28Å; V1110-R1118 WeakPolarHBondContact O-CD 3.3Å; V1110-R1118 PolarHBondContact O-NH1 2.85Å; V1110-L1121 HydrophobicContact CG2-CD1 4.49Å; V1110-R1151 HydrophobicContact CB-CG 4.38Å; V1110-R1151 HydrophobicContact CG1-CG 4.07Å; V1110-M1152 HydrophobicContact CG1-CG 4.27Å; V1110-M1152 HydrophobicContact CG2-CE 3.91Å; V1110-M1152 HydrophobicContact CG2-CG 4.02Å; V1110-M1155 HydrophobicContact CG1-CB 3.8Å; V1110-M1155 HydrophobicContact CG1-CG 4.06Å |
| 1111 | I | 97 | Very high | 96.6 | Very high | 45 Ų | 45 | 37.3 Ų | 37.3 | 23% | 0.231 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.1 | -51.5 | -179.6 | -63 | 156.4 | 0 | 0 | 0 | 112.5 | E1107 K1108 C1109 R1151 M1155 | E1107-I1111 WeakPolarHBondContact O-CD1 3.32Å; E1107-I1111 WeakPolarHBondContact O-CG1 3.25Å; E1107-I1111 PolarHBondContact O-N 3.28Å; K1108-I1111 HydrophobicContact CD-CD1 4.28Å; K1108-I1111 PolarHBondContact O-N 3.49Å; C1109-I1111 PolarHBondContact O-N 2.84Å; I1111-R1151 HydrophobicContact CD1-CG 4.3Å; I1111-R1151 HydrophobicContact CG1-CG 3.96Å; I1111-M1155 HydrophobicContact CG1-CG 4.38Å; I1111-M1155 HydrophobicContact CG1-SD 4.39Å |
| 1112 | H | 95.4 | Very high | 96.5 | Very high | 63 Ų | 63 | 34.9 Ų | 34.9 | 29% | 0.292 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -104.2 | -4.8 | -161.5 | -59.6 | -85.1 | 0 | 0 | 0 | 115.2 | L1074 K1108 | L1074-H1112 WeakPolarHBondContact O-CB 3.1Å; K1108-H1112 WeakPolarHBondContact O-CB 3.49Å; K1108-H1112 PolarHBondContact O-CD2 3.16Å; K1108-H1112 PolarHBondContact O-N 2.61Å |
| 1113 | S | 94.2 | Very high | 96.4 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -75.5 | 163.8 | 170.6 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | C1109 R1118 | C1109-S1113 WeakPolarHBondContact O-CB 3.14Å; C1109-S1113 PolarHBondContact O-N 3.29Å; C1109-S1113 VanDerWaalsContact O-N 3.16Å; C1109-S1113 PolarHBondContact O-OG 3.35Å; S1113-R1118 PolarHBondContact O-NH1 3.13Å; S1113-R1118 PolarHBondContact OG-N 2.97Å |
| 1114 | S | 95.9 | Very high | 96.3 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 41% | 0.413 | 21% | 0.205 | S | C | . | . | trans | -61.1 | 166.2 | 174.6 | 72 | 0 | 0 | 0 | 0 | 112 | A1116 E1117 R1118 | S1114-A1116 VanDerWaalsContact C-N 3.31Å; S1114-A1116 PolarHBondContact O-N 2.96Å; S1114-E1117 WeakPolarHBondContact CB-OE2 3.48Å; S1114-E1117 PolarHBondContact N-OE2 3.24Å; S1114-E1117 PolarHBondContact O-N 2.87Å; S1114-E1117 WeakPolarHBondContact OG-CB 3.06Å; S1114-E1117 VanDerWaalsContact OG-CD 3.24Å; S1114-E1117 VanDerWaalsContact OG-CG 3.29Å; S1114-E1117 WeakPolarHBondContact OG-CG 3.32Å; S1114-E1117 PolarHBondContact OG-N 3.29Å; S1114-E1117 PolarHBondContact OG-OE2 2.94Å; S1114-R1118 WeakPolarHBondContact O-CB 3.03Å; S1114-R1118 PolarHBondContact O-N 3.43Å | ||
| 1115 | R | 94.9 | Very high | 96.1 | Very high | 185 Ų | 185 | 36.9 Ų | 36.9 | 70% | 0.698 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -58.8 | -42.3 | 179.5 | -63.9 | 179.2 | -175.1 | -167.8 | 5.2 | 112 | A1119 E1157 | R1115-A1119 VanDerWaalsContact O-CB 3.24Å; R1115-A1119 WeakPolarHBondContact O-CB 3.36Å; R1115-A1119 PolarHBondContact O-N 3.45Å; R1115-E1157 WeakPolarHBondContact CD-OE1 3.24Å |
| 1116 | A | 95.7 | Very high | 95.8 | Very high | 66 Ų | 66 | 37 Ų | 37 | 55% | 0.545 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.6 | -43.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1114 A1119 L1120 | S1114-A1116 VanDerWaalsContact C-N 3.31Å; S1114-A1116 PolarHBondContact O-N 2.96Å; A1116-A1119 WeakPolarHBondContact O-CB 3.49Å; A1116-A1119 PolarHBondContact O-N 3.21Å; A1116-L1120 WeakPolarHBondContact O-CG 3.46Å; A1116-L1120 PolarHBondContact O-N 3.28Å |
| 1117 | E | 96.3 | Very high | 95.4 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -48.9 | 178.7 | -74.1 | 165 | 136.6 | 0 | 0 | 112.4 | S1083 V1086 S1114 A1119 L1120 L1121 | S1083-E1117 VanDerWaalsContact CA-OE1 3.24Å; S1083-E1117 WeakPolarHBondContact CA-OE1 3.17Å; S1083-E1117 WeakPolarHBondContact CB-OE1 3.45Å; S1083-E1117 PolarHBondContact OG-OE1 3.25Å; V1086-E1117 HydrophobicContact CG1-CB 4.03Å; V1086-E1117 HydrophobicContact CG1-CG 4.35Å; S1114-E1117 WeakPolarHBondContact CB-OE2 3.48Å; S1114-E1117 PolarHBondContact N-OE2 3.24Å; S1114-E1117 PolarHBondContact O-N 2.87Å; S1114-E1117 WeakPolarHBondContact OG-CB 3.06Å; S1114-E1117 VanDerWaalsContact OG-CD 3.24Å; S1114-E1117 VanDerWaalsContact OG-CG 3.29Å; S1114-E1117 WeakPolarHBondContact OG-CG 3.32Å; S1114-E1117 PolarHBondContact OG-N 3.29Å; S1114-E1117 PolarHBondContact OG-OE2 2.94Å; E1117-A1119 PolarHBondContact O-N 3.46Å; E1117-L1120 WeakPolarHBondContact O-CB 3.22Å; E1117-L1120 PolarHBondContact O-N 3.34Å; E1117-L1120 VanDerWaalsContact O-N 3.17Å; E1117-L1121 WeakPolarHBondContact O-CG 3.43Å; E1117-L1121 PolarHBondContact O-N 3.19Å |
| 1118 | R | 96.4 | Very high | 95 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 12% | 0.121 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.8 | -40.3 | 171.6 | 163 | 171.4 | 49.1 | -83.5 | -9.2 | 111.4 | V1110 S1113 S1114 L1120 L1121 I1122 M1155 | V1110-R1118 HydrophobicContact CG1-CG 4.46Å; V1110-R1118 VanDerWaalsContact O-CD 3.28Å; V1110-R1118 WeakPolarHBondContact O-CD 3.3Å; V1110-R1118 PolarHBondContact O-NH1 2.85Å; S1113-R1118 PolarHBondContact O-NH1 3.13Å; S1113-R1118 PolarHBondContact OG-N 2.97Å; S1114-R1118 WeakPolarHBondContact O-CB 3.03Å; S1114-R1118 PolarHBondContact O-N 3.43Å; R1118-L1120 VanDerWaalsContact C-N 3.32Å; R1118-L1120 PolarHBondContact O-N 3.27Å; R1118-L1121 PolarHBondContact O-N 2.7Å; R1118-I1122 HydrophobicContact CG-CD1 3.57Å; R1118-I1122 HydrophobicContact CG-CG1 4.34Å; R1118-I1122 WeakPolarHBondContact O-CB 3.33Å; R1118-I1122 WeakPolarHBondContact O-CG1 3.4Å; R1118-I1122 PolarHBondContact O-N 2.72Å; R1118-M1155 VanDerWaalsContact CD-O 3.3Å; R1118-M1155 WeakPolarHBondContact CD-O 3.38Å; R1118-M1155 PolarHBondContact NE-O 3.15Å |
| 1119 | A | 95.3 | Very high | 94.6 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 22% | 0.223 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1115 A1116 E1117 I1122 D1123 Q1160 | R1115-A1119 VanDerWaalsContact O-CB 3.24Å; R1115-A1119 WeakPolarHBondContact O-CB 3.36Å; R1115-A1119 PolarHBondContact O-N 3.45Å; A1116-A1119 WeakPolarHBondContact O-CB 3.49Å; A1116-A1119 PolarHBondContact O-N 3.21Å; E1117-A1119 PolarHBondContact O-N 3.46Å; A1119-I1122 PolarHBondContact O-N 3.23Å; A1119-D1123 WeakPolarHBondContact O-CB 3.47Å; A1119-D1123 PolarHBondContact O-N 3.35Å; A1119-Q1160 VanDerWaalsContact CA-NE2 3.33Å; A1119-Q1160 PolarHBondContact O-NE2 3.4Å |
| 1120 | L | 95.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 51.3 Ų | 51.3 | 41% | 0.408 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 174.2 | -67.7 | 170.2 | 0 | 0 | 0 | 112.5 | A1116 E1117 R1118 I1122 D1123 E1124 | A1116-L1120 WeakPolarHBondContact O-CG 3.46Å; A1116-L1120 PolarHBondContact O-N 3.28Å; E1117-L1120 WeakPolarHBondContact O-CB 3.22Å; E1117-L1120 PolarHBondContact O-N 3.34Å; E1117-L1120 VanDerWaalsContact O-N 3.17Å; R1118-L1120 VanDerWaalsContact C-N 3.32Å; R1118-L1120 PolarHBondContact O-N 3.27Å; L1120-I1122 VanDerWaalsContact C-N 3.3Å; L1120-I1122 PolarHBondContact O-N 3.2Å; L1120-D1123 PolarHBondContact O-N 2.91Å; L1120-E1124 WeakPolarHBondContact O-CB 3.44Å; L1120-E1124 PolarHBondContact O-N 3.14Å |
| 1121 | L | 96.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -34.8 | 178.2 | -64.9 | 175.4 | 0 | 0 | 0 | 112.7 | V1086 V1089 R1090 V1093 C1109 V1110 E1117 R1118 M1152 | V1086-L1121 HydrophobicContact CG1-CD1 3.93Å; V1086-L1121 HydrophobicContact CG1-CD2 4.25Å; V1086-L1121 HydrophobicContact CG1-CG 4.19Å; V1089-L1121 HydrophobicContact CG1-CD2 4.14Å; R1090-L1121 HydrophobicContact CB-CD2 4.49Å; V1093-L1121 HydrophobicContact CG2-CD2 3.62Å; C1109-L1121 HydrophobicContact CB-CD1 3.81Å; V1110-L1121 HydrophobicContact CG2-CD1 4.49Å; E1117-L1121 WeakPolarHBondContact O-CG 3.43Å; E1117-L1121 PolarHBondContact O-N 3.19Å; R1118-L1121 PolarHBondContact O-N 2.7Å; L1121-M1152 WeakPolarHBondContact O-CE 3.26Å |
| 1122 | I | 95.5 | Very high | 93 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.4 | -41.5 | 176.8 | -72.1 | 171.2 | 0 | 0 | 0 | 111.2 | R1118 A1119 L1120 V1125 C1126 M1152 A1156 Q1160 I1164 | R1118-I1122 HydrophobicContact CG-CD1 3.57Å; R1118-I1122 HydrophobicContact CG-CG1 4.34Å; R1118-I1122 WeakPolarHBondContact O-CB 3.33Å; R1118-I1122 WeakPolarHBondContact O-CG1 3.4Å; R1118-I1122 PolarHBondContact O-N 2.72Å; A1119-I1122 PolarHBondContact O-N 3.23Å; L1120-I1122 VanDerWaalsContact C-N 3.3Å; L1120-I1122 PolarHBondContact O-N 3.2Å; I1122-V1125 PolarHBondContact O-N 3.29Å; I1122-C1126 PolarHBondContact O-N 3.26Å; I1122-C1126 VanDerWaalsContact O-N 3.12Å; I1122-C1126 PolarHBondContact O-SG 2.98Å; I1122-M1152 HydrophobicContact CD1-CB 4.48Å; I1122-M1152 HydrophobicContact CG1-CB 4.14Å; I1122-M1152 HydrophobicContact CG1-CE 4.31Å; I1122-M1152 HydrophobicContact CG1-CG 3.87Å; I1122-M1152 HydrophobicContact CG1-SD 4.19Å; I1122-A1156 HydrophobicContact CD1-CB 3.98Å; I1122-Q1160 HydrophobicContact CG2-CB 4.3Å; I1122-I1164 HydrophobicContact CG2-CD1 3.83Å; I1122-I1164 HydrophobicContact CG2-CG1 4.19Å |
| 1123 | D | 94.1 | Very high | 92.6 | Very high | 75 Ų | 75 | 59 Ų | 59 | 40% | 0.401 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 178.4 | -170.1 | 63.8 | 0 | 0 | 0 | 111.9 | A1119 L1120 V1125 C1126 C1127 | A1119-D1123 WeakPolarHBondContact O-CB 3.47Å; A1119-D1123 PolarHBondContact O-N 3.35Å; L1120-D1123 PolarHBondContact O-N 2.91Å; D1123-V1125 PolarHBondContact O-N 3.35Å; D1123-C1126 CarbonylContact O-C 3.09Å; D1123-C1126 WeakPolarHBondContact O-CA 3.44Å; D1123-C1126 WeakPolarHBondContact O-CB 3.49Å; D1123-C1126 PolarHBondContact O-N 3.03Å; D1123-C1127 WeakPolarHBondContact O-CB 3.42Å; D1123-C1127 PolarHBondContact O-N 3.13Å; D1123-C1127 PolarHBondContact OD1-SG 2.93Å; D1123-C1127 VanDerWaalsContact OD1-SG 3.4Å |
| 1124 | E | 95.1 | Very high | 92.6 | Very high | 26 Ų | 26 | 60 Ų | 60 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -50.7 | -53.4 | 172.7 | -177.5 | 177.1 | 143.4 | 0 | 0 | 111.4 | R1090 G1091 K1092 V1093 L1120 C1126 C1127 Q1128 | R1090-E1124 WeakPolarHBondContact CG-OE2 3.49Å; G1091-E1124 VanDerWaalsContact CA-OE1 3.26Å; G1091-E1124 WeakPolarHBondContact CA-OE1 3.44Å; G1091-E1124 PolarHBondContact N-OE1 2.62Å; G1091-E1124 VanDerWaalsContact N-OE1 3.08Å; G1091-E1124 PolarHBondContact N-OE2 2.57Å; K1092-E1124 PolarHBondContact N-OE1 2.83Å; K1092-E1124 VanDerWaalsContact N-OE1 3.12Å; V1093-E1124 VanDerWaalsContact CB-OE1 3.32Å; V1093-E1124 WeakPolarHBondContact CB-OE1 3.47Å; V1093-E1124 HydrophobicContact CG2-CG 4.47Å; V1093-E1124 VanDerWaalsContact CG2-OE1 3.25Å; V1093-E1124 WeakPolarHBondContact CG2-OE1 3.26Å; V1093-E1124 PolarHBondContact N-OE1 2.95Å; L1120-E1124 WeakPolarHBondContact O-CB 3.44Å; L1120-E1124 PolarHBondContact O-N 3.14Å; E1124-C1126 VanDerWaalsContact C-N 3.28Å; E1124-C1126 PolarHBondContact O-N 3.15Å; E1124-C1127 PolarHBondContact O-N 3.28Å; E1124-Q1128 WeakPolarHBondContact O-CB 3.33Å; E1124-Q1128 PolarHBondContact O-N 3.27Å |
| 1125 | V | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.8 | -28.9 | 178.6 | 172.9 | 0 | 0 | 0 | 0 | 112.8 | V1093 I1122 D1123 L1136 M1139 M1152 | V1093-V1125 HydrophobicContact CB-CG2 4.02Å; V1093-V1125 HydrophobicContact CG1-CG2 3.38Å; I1122-V1125 PolarHBondContact O-N 3.29Å; D1123-V1125 PolarHBondContact O-N 3.35Å; V1125-L1136 HydrophobicContact CG1-CB 3.94Å; V1125-L1136 HydrophobicContact CG1-CD1 3.94Å; V1125-L1136 PolarHBondContact O-N 2.92Å; V1125-M1139 HydrophobicContact CB-SD 4.23Å; V1125-M1139 HydrophobicContact CG1-CE 4Å; V1125-M1139 HydrophobicContact CG1-SD 3.52Å; V1125-M1139 VanDerWaalsContact CG1-SD 3.52Å; V1125-M1139 HydrophobicContact CG2-CE 3.93Å; V1125-M1139 HydrophobicContact CG2-SD 3.64Å; V1125-M1152 HydrophobicContact CB-CE 4.4Å; V1125-M1152 HydrophobicContact CB-SD 4.19Å; V1125-M1152 HydrophobicContact CG1-SD 4.34Å; V1125-M1152 HydrophobicContact CG2-CE 3.8Å; V1125-M1152 HydrophobicContact CG2-SD 4.12Å |
| 1126 | C | 91.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.034 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74.2 | -33.8 | 176.4 | -72.2 | 0 | 0 | 0 | 0 | 112.9 | I1122 D1123 E1124 I1163 K1167 | I1122-C1126 PolarHBondContact O-N 3.26Å; I1122-C1126 VanDerWaalsContact O-N 3.12Å; I1122-C1126 PolarHBondContact O-SG 2.98Å; D1123-C1126 CarbonylContact O-C 3.09Å; D1123-C1126 WeakPolarHBondContact O-CA 3.44Å; D1123-C1126 WeakPolarHBondContact O-CB 3.49Å; D1123-C1126 PolarHBondContact O-N 3.03Å; E1124-C1126 VanDerWaalsContact C-N 3.28Å; E1124-C1126 PolarHBondContact O-N 3.15Å; C1126-I1163 HydrophobicContact CB-CG2 4.45Å; C1126-K1167 HydrophobicContact CB-CD 3.86Å; C1126-K1167 WeakPolarHBondContact O-CD 3.47Å; C1126-K1167 VanDerWaalsContact O-CE 3.24Å; C1126-K1167 WeakPolarHBondContact O-CE 3.43Å; C1126-K1167 PolarHBondContact O-NZ 3.45Å |
| 1127 | C | 89.2 | Confident | 92.5 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 53% | 0.534 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -105.8 | -25.1 | -170.2 | -69.2 | 0 | 0 | 0 | 0 | 113.7 | D1123 E1124 | D1123-C1127 WeakPolarHBondContact O-CB 3.42Å; D1123-C1127 PolarHBondContact O-N 3.13Å; D1123-C1127 PolarHBondContact OD1-SG 2.93Å; D1123-C1127 VanDerWaalsContact OD1-SG 3.4Å; E1124-C1127 PolarHBondContact O-N 3.28Å |
| 1128 | Q | 90.1 | Very high | 92.4 | Very high | 61 Ų | 61 | 46 Ų | 46 | 29% | 0.285 | 26% | 0.263 | S | S | . | . | trans | -66.8 | 140 | 176.3 | -174.8 | 175.3 | 50.1 | 0 | 0 | 111.9 | L1094 E1124 A1135 | L1094-Q1128 VanDerWaalsContact CB-OE1 3.27Å; E1124-Q1128 WeakPolarHBondContact O-CB 3.33Å; E1124-Q1128 PolarHBondContact O-N 3.27Å; Q1128-A1135 HydrophobicContact CB-CB 3.86Å; Q1128-A1135 HydrophobicContact CG-CB 4.08Å; Q1128-A1135 WeakPolarHBondContact O-CB 3.43Å; Q1128-A1135 PolarHBondContact O-N 3.14Å | ||
| 1129 | K | 88 | Confident | 92.5 | Very high | 172 Ų | 172 | 44.5 Ų | 44.5 | 75% | 0.748 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 150.2 | 170.6 | -65.3 | -179 | -176.9 | 175.9 | 0 | 110.4 | H1133 | K1129-H1133 CarbonylContact C-O 3.58Å; K1129-H1133 VanDerWaalsContact CA-O 3.32Å; K1129-H1133 WeakPolarHBondContact CA-O 3.28Å |
| 1130 | D | 86.5 | Confident | 92.5 | Very high | 58 Ų | 58 | 43.2 Ų | 43.2 | 31% | 0.31 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 88.4 | 175.8 | 179.9 | 29.6 | 0 | 0 | 0 | 107.1 | L1094 H1133 T1138 | L1094-D1130 HydrophobicContact CD2-CB 3.89Å; D1130-H1133 PolarHBondContact N-O 3.18Å; D1130-H1133 WeakPolarHBondContact O-CB 3.39Å; D1130-H1133 PolarHBondContact O-N 2.58Å; D1130-T1138 WeakPolarHBondContact OD2-CB 3.42Å; D1130-T1138 VanDerWaalsContact OD2-CG2 3.24Å; D1130-T1138 WeakPolarHBondContact OD2-CG2 3.13Å; D1130-T1138 PolarHBondContact OD2-OG1 3.2Å |
| 1131 | G | 86.4 | Confident | 92.5 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 66% | 0.66 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | -119.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1133 | G1131-H1133 PolarHBondContact O-N 3.34Š|
| 1132 | P | 85.3 | Confident | 92.6 | Very high | 123 Ų | 123 | 43.3 Ų | 43.3 | 80% | 0.799 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | 6.9 | 178.9 | 35.9 | -37.4 | 0 | 0 | 0 | 113.9 | ||
| 1133 | H | 87.7 | Confident | 92.6 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 38% | 0.375 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 170.3 | -172.9 | -66.8 | -14.9 | 0 | 0 | 0 | 112.1 | K1129 D1130 G1131 Y1137 | K1129-H1133 CarbonylContact C-O 3.58Å; K1129-H1133 VanDerWaalsContact CA-O 3.32Å; K1129-H1133 WeakPolarHBondContact CA-O 3.28Å; D1130-H1133 PolarHBondContact N-O 3.18Å; D1130-H1133 WeakPolarHBondContact O-CB 3.39Å; D1130-H1133 PolarHBondContact O-N 2.58Å; G1131-H1133 PolarHBondContact O-N 3.34Å; H1133-Y1137 HydrophobicContact CB-CD1 3.93Å; H1133-Y1137 AromaticContact CD2-CD1 3.67Å; H1133-Y1137 AromaticContact CD2-CE1 3.61Å; H1133-Y1137 AromaticContact CG-CD1 3.71Å; H1133-Y1137 AromaticContact CG-CE1 3.97Å; H1133-Y1137 AromaticContact NE2-CE1 3.69Å |
| 1134 | S | 92.6 | Very high | 92.8 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 147.1 | 166.9 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | L1136 Y1137 T1138 | S1134-L1136 PolarHBondContact O-N 2.6Å; S1134-Y1137 PolarHBondContact O-N 2.83Å; S1134-Y1137 VanDerWaalsContact OG-CB 3.31Å; S1134-Y1137 WeakPolarHBondContact OG-CB 3.35Å; S1134-Y1137 PolarHBondContact OG-N 3.41Å; S1134-T1138 PolarHBondContact O-N 2.96Å |
| 1135 | A | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.1 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1094 Q1128 Y1137 T1138 M1139 | L1094-A1135 HydrophobicContact CB-CB 4.33Å; L1094-A1135 HydrophobicContact CD1-CB 4.06Å; L1094-A1135 HydrophobicContact CD2-CB 4.03Å; L1094-A1135 HydrophobicContact CG-CB 4.37Å; Q1128-A1135 HydrophobicContact CB-CB 3.86Å; Q1128-A1135 HydrophobicContact CG-CB 4.08Å; Q1128-A1135 WeakPolarHBondContact O-CB 3.43Å; Q1128-A1135 PolarHBondContact O-N 3.14Å; A1135-Y1137 VanDerWaalsContact C-N 3.34Å; A1135-Y1137 PolarHBondContact O-N 3.02Å; A1135-T1138 PolarHBondContact O-N 3.37Å; A1135-M1139 WeakPolarHBondContact O-CB 3.45Å; A1135-M1139 VanDerWaalsContact O-CG 3.26Å; A1135-M1139 WeakPolarHBondContact O-CG 3.46Å; A1135-M1139 PolarHBondContact O-N 2.99Å |
| 1136 | L | 95.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.7 | -41.6 | 173.3 | -174.2 | 61.6 | 0 | 0 | 0 | 113.6 | V1125 S1134 M1139 M1140 V1149 I1164 K1167 I1168 | V1125-L1136 HydrophobicContact CG1-CB 3.94Å; V1125-L1136 HydrophobicContact CG1-CD1 3.94Å; V1125-L1136 PolarHBondContact O-N 2.92Å; S1134-L1136 PolarHBondContact O-N 2.6Å; L1136-M1139 PolarHBondContact O-N 3.45Å; L1136-M1140 HydrophobicContact CD1-CG 4.47Å; L1136-M1140 HydrophobicContact CG-CE 4.29Å; L1136-M1140 WeakPolarHBondContact O-CB 3.49Å; L1136-M1140 VanDerWaalsContact O-CG 3.27Å; L1136-M1140 WeakPolarHBondContact O-CG 3.29Å; L1136-M1140 PolarHBondContact O-N 2.83Å; L1136-V1149 HydrophobicContact CD1-CB 4.47Å; L1136-V1149 HydrophobicContact CD1-CG1 3.74Å; L1136-V1149 HydrophobicContact CD1-CG2 3.85Å; L1136-I1164 HydrophobicContact CD2-CG2 4.35Å; L1136-K1167 HydrophobicContact CD2-CB 3.72Å; L1136-I1168 HydrophobicContact CD2-CG1 3.95Å; L1136-I1168 HydrophobicContact CG-CG1 4.42Å |
| 1137 | Y | 94.6 | Very high | 93.4 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 178.6 | 176.1 | -110.5 | 0 | 0 | 0 | 112.3 | H1133 S1134 A1135 M1140 K1141 H1171 | H1133-Y1137 HydrophobicContact CB-CD1 3.93Å; H1133-Y1137 AromaticContact CD2-CD1 3.67Å; H1133-Y1137 AromaticContact CD2-CE1 3.61Å; H1133-Y1137 AromaticContact CG-CD1 3.71Å; H1133-Y1137 AromaticContact CG-CE1 3.97Å; H1133-Y1137 AromaticContact NE2-CE1 3.69Å; S1134-Y1137 PolarHBondContact O-N 2.83Å; S1134-Y1137 VanDerWaalsContact OG-CB 3.31Å; S1134-Y1137 WeakPolarHBondContact OG-CB 3.35Å; S1134-Y1137 PolarHBondContact OG-N 3.41Å; A1135-Y1137 VanDerWaalsContact C-N 3.34Å; A1135-Y1137 PolarHBondContact O-N 3.02Å; Y1137-M1140 HydrophobicContact CD2-CE 4.44Å; Y1137-K1141 HydrophobicContact CD1-CD 4.15Å; Y1137-K1141 HydrophobicContact CD2-CD 4.26Å; Y1137-K1141 HydrophobicContact CE1-CD 3.77Å; Y1137-K1141 HydrophobicContact CE2-CD 3.84Å; Y1137-K1141 HydrophobicContact CG-CD 4.41Å; Y1137-K1141 WeakPolarHBondContact O-CD 3.37Å; Y1137-K1141 WeakPolarHBondContact O-CG 3.48Å; Y1137-H1171 HydrophobicContact CD2-CB 3.97Å; Y1137-H1171 AromaticContact CD2-CD2 3.75Å; Y1137-H1171 AromaticContact CD2-CE1 3.76Å; Y1137-H1171 AromaticContact CD2-CG 3.47Å; Y1137-H1171 VanDerWaalsContact CD2-CG 3.47Å; Y1137-H1171 AromaticContact CD2-ND1 3.49Å; Y1137-H1171 WeakPolarHBondContact CD2-ND1 3.28Å; Y1137-H1171 AromaticContact CD2-NE2 3.92Å; Y1137-H1171 HydrophobicContact CE2-CB 4.12Å; Y1137-H1171 AromaticContact CE2-CG 3.87Å; Y1137-H1171 AromaticContact CE2-ND1 3.63Å |
| 1138 | T | 95.3 | Very high | 93.8 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 174.1 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | D1130 S1134 A1135 M1140 K1141 D1142 | D1130-T1138 WeakPolarHBondContact OD2-CB 3.42Å; D1130-T1138 VanDerWaalsContact OD2-CG2 3.24Å; D1130-T1138 WeakPolarHBondContact OD2-CG2 3.13Å; D1130-T1138 PolarHBondContact OD2-OG1 3.2Å; S1134-T1138 PolarHBondContact O-N 2.96Å; A1135-T1138 PolarHBondContact O-N 3.37Å; T1138-M1140 VanDerWaalsContact C-N 3.34Å; T1138-M1140 PolarHBondContact O-N 3.06Å; T1138-K1141 WeakPolarHBondContact O-CB 3.48Å; T1138-K1141 PolarHBondContact O-N 3.45Å; T1138-D1142 PolarHBondContact O-N 3.33Å |
| 1139 | M | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | -179.3 | -71.7 | 176.3 | 55.9 | 0 | 0 | 113.1 | L1094 S1097 V1125 A1135 L1136 K1141 D1142 A1145 N1146 V1148 V1149 | L1094-M1139 HydrophobicContact CD1-CG 3.53Å; L1094-M1139 HydrophobicContact CD1-SD 4.05Å; S1097-M1139 WeakPolarHBondContact OG-CE 3.4Å; V1125-M1139 HydrophobicContact CB-SD 4.23Å; V1125-M1139 HydrophobicContact CG1-CE 4Å; V1125-M1139 HydrophobicContact CG1-SD 3.52Å; V1125-M1139 VanDerWaalsContact CG1-SD 3.52Å; V1125-M1139 HydrophobicContact CG2-CE 3.93Å; V1125-M1139 HydrophobicContact CG2-SD 3.64Å; A1135-M1139 WeakPolarHBondContact O-CB 3.45Å; A1135-M1139 VanDerWaalsContact O-CG 3.26Å; A1135-M1139 WeakPolarHBondContact O-CG 3.46Å; A1135-M1139 PolarHBondContact O-N 2.99Å; L1136-M1139 PolarHBondContact O-N 3.45Å; M1139-K1141 PolarHBondContact O-N 3.3Å; M1139-D1142 PolarHBondContact O-N 3.17Å; M1139-A1145 HydrophobicContact CB-CB 3.69Å; M1139-A1145 HydrophobicContact CE-CB 4.39Å; M1139-A1145 HydrophobicContact CG-CB 3.78Å; M1139-A1145 CarbonylContact O-C 3.51Å; M1139-A1145 VanDerWaalsContact O-C 3.25Å; M1139-A1145 WeakPolarHBondContact O-CB 3.5Å; M1139-N1146 WeakPolarHBondContact O-CA 3.42Å; M1139-N1146 PolarHBondContact O-N 3.3Å; M1139-V1148 HydrophobicContact CE-CB 4.14Å; M1139-V1148 HydrophobicContact CE-CG1 3.91Å; M1139-V1149 HydrophobicContact CB-CG2 3.64Å; M1139-V1149 HydrophobicContact CE-CG2 3.98Å |
| 1140 | M | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -21.7 | 174.7 | -76.2 | -170.4 | -68.1 | 0 | 0 | 114.3 | L1136 Y1137 T1138 V1149 I1168 H1171 L1175 G1181 I1184 | L1136-M1140 HydrophobicContact CD1-CG 4.47Å; L1136-M1140 HydrophobicContact CG-CE 4.29Å; L1136-M1140 WeakPolarHBondContact O-CB 3.49Å; L1136-M1140 VanDerWaalsContact O-CG 3.27Å; L1136-M1140 WeakPolarHBondContact O-CG 3.29Å; L1136-M1140 PolarHBondContact O-N 2.83Å; Y1137-M1140 HydrophobicContact CD2-CE 4.44Å; T1138-M1140 VanDerWaalsContact C-N 3.34Å; T1138-M1140 PolarHBondContact O-N 3.06Å; M1140-V1149 HydrophobicContact CG-CB 4.47Å; M1140-V1149 HydrophobicContact CG-CG1 3.91Å; M1140-V1149 HydrophobicContact CG-CG2 4.28Å; M1140-I1168 HydrophobicContact CE-CB 4.43Å; M1140-I1168 HydrophobicContact CE-CG1 4.01Å; M1140-I1168 HydrophobicContact CE-CG2 4.22Å; M1140-I1168 HydrophobicContact SD-CB 4.1Å; M1140-I1168 HydrophobicContact SD-CD1 3.73Å; M1140-I1168 HydrophobicContact SD-CG1 3.52Å; M1140-I1168 VanDerWaalsContact SD-CG1 3.52Å; M1140-I1168 HydrophobicContact SD-CG2 3.61Å; M1140-H1171 HydrophobicContact CE-CB 4.43Å; M1140-L1175 HydrophobicContact CB-CD2 3.76Å; M1140-L1175 HydrophobicContact CE-CD1 3.95Å; M1140-L1175 HydrophobicContact CE-CD2 4.33Å; M1140-L1175 HydrophobicContact SD-CD1 3.62Å; M1140-L1175 HydrophobicContact SD-CD2 4.21Å; M1140-G1181 VanDerWaalsContact O-CA 3.26Å; M1140-G1181 WeakPolarHBondContact O-CA 3.35Å; M1140-G1181 PolarHBondContact O-N 3.35Å; M1140-I1184 HydrophobicContact CB-CG1 4Å; M1140-I1184 HydrophobicContact CG-CD1 4.33Å; M1140-I1184 HydrophobicContact CG-CG1 3.91Å; M1140-I1184 HydrophobicContact CG-CG2 4.25Å; M1140-I1184 HydrophobicContact SD-CG1 4.47Å; M1140-I1184 HydrophobicContact SD-CG2 3.89Å |
| 1141 | K | 95.4 | Very high | 95 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 22% | 0.222 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -97 | -20.6 | -176.7 | -71.3 | 166.7 | 46.5 | 179.2 | 0 | 113.6 | Y1137 T1138 M1139 L1175 Y1178 Y1180 | Y1137-K1141 HydrophobicContact CD1-CD 4.15Å; Y1137-K1141 HydrophobicContact CD2-CD 4.26Å; Y1137-K1141 HydrophobicContact CE1-CD 3.77Å; Y1137-K1141 HydrophobicContact CE2-CD 3.84Å; Y1137-K1141 HydrophobicContact CG-CD 4.41Å; Y1137-K1141 WeakPolarHBondContact O-CD 3.37Å; Y1137-K1141 WeakPolarHBondContact O-CG 3.48Å; T1138-K1141 WeakPolarHBondContact O-CB 3.48Å; T1138-K1141 PolarHBondContact O-N 3.45Å; M1139-K1141 PolarHBondContact O-N 3.3Å; K1141-L1175 HydrophobicContact CG-CD2 4.4Å; K1141-Y1178 HydrophobicContact CD-CD2 3.87Å; K1141-Y1178 HydrophobicContact CD-CE1 4.46Å; K1141-Y1178 HydrophobicContact CD-CE2 3.53Å; K1141-Y1178 HydrophobicContact CD-CG 4.44Å; K1141-Y1178 VanDerWaalsContact CE-CZ 3.41Å; K1141-Y1178 HydrophobicContact CG-CD1 4.5Å; K1141-Y1178 HydrophobicContact CG-CD2 3.66Å; K1141-Y1178 HydrophobicContact CG-CE2 3.9Å; K1141-Y1178 HydrophobicContact CG-CG 3.98Å; K1141-Y1178 PolarHBondContact NZ-OH 2.99Å; K1141-Y1180 WeakPolarHBondContact O-CD2 3.35Å |
| 1142 | D | 97.4 | Very high | 95.5 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 16% | 0.16 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -78.5 | 154.7 | -178.4 | 171.9 | -106.8 | 0 | 0 | 0 | 112.9 | Q1098 T1138 M1139 Y1144 A1145 N1146 Y1180 | Q1098-D1142 HydrophobicContact CG-CB 4.34Å; T1138-D1142 PolarHBondContact O-N 3.33Å; M1139-D1142 PolarHBondContact O-N 3.17Å; D1142-Y1144 VanDerWaalsContact C-N 3.33Å; D1142-Y1144 PolarHBondContact O-N 2.88Å; D1142-Y1144 WeakPolarHBondContact OD1-CA 3.47Å; D1142-Y1144 PolarHBondContact OD1-N 2.94Å; D1142-A1145 HydrophobicContact CB-CB 4.08Å; D1142-A1145 PolarHBondContact OD1-N 3.34Å; D1142-N1146 WeakPolarHBondContact O-CB 3.47Å; D1142-N1146 PolarHBondContact O-ND2 3.23Å; D1142-Y1180 WeakPolarHBondContact O-CB 3.34Å |
| 1143 | Q | 97 | Very high | 95.9 | Very high | 82 Ų | 82 | 29.9 Ų | 29.9 | 38% | 0.383 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23.7 | -177.3 | 77.3 | -161 | -77.4 | 0 | 0 | 114.5 | N1146 Y1147 Y1180 | Q1143-N1146 VanDerWaalsContact C-ND2 3.27Å; Q1143-N1146 PolarHBondContact O-ND2 2.99Å; Q1143-Y1147 WeakPolarHBondContact O-CE2 3.39Å; Q1143-Y1180 HydrophobicContact CB-CD1 4.18Å; Q1143-Y1180 HydrophobicContact CB-CD2 4.17Å; Q1143-Y1180 HydrophobicContact CB-CE1 3.66Å; Q1143-Y1180 HydrophobicContact CB-CE2 3.66Å; Q1143-Y1180 HydrophobicContact CB-CG 4.41Å |
| 1144 | Y | 98.2 | Very high | 96.2 | Very high | 54 Ų | 54 | 28.8 Ų | 28.8 | 21% | 0.212 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -45.8 | -179.9 | -56.4 | -62.8 | 0 | 0 | 0 | 111.6 | S1097 Q1098 K1100 D1142 N1146 Y1147 | S1097-Y1144 CarbonylContact O-C 3.09Å; S1097-Y1144 WeakPolarHBondContact O-CB 3.36Å; Q1098-Y1144 WeakPolarHBondContact O-CD2 3.49Å; K1100-Y1144 HydrophobicContact CB-CD1 4.44Å; K1100-Y1144 HydrophobicContact CB-CD2 4.43Å; K1100-Y1144 HydrophobicContact CB-CE1 3.9Å; K1100-Y1144 HydrophobicContact CB-CE2 3.88Å; K1100-Y1144 HydrophobicContact CG-CE1 3.77Å; D1142-Y1144 VanDerWaalsContact C-N 3.33Å; D1142-Y1144 PolarHBondContact O-N 2.88Å; D1142-Y1144 WeakPolarHBondContact OD1-CA 3.47Å; D1142-Y1144 PolarHBondContact OD1-N 2.94Å; Y1144-N1146 PolarHBondContact O-N 2.94Å; Y1144-N1146 VanDerWaalsContact O-N 3.16Å; Y1144-Y1147 WeakPolarHBondContact O-CB 3.45Å; Y1144-Y1147 WeakPolarHBondContact O-CD2 3.28Å; Y1144-Y1147 PolarHBondContact O-N 2.81Å |
| 1145 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.3 | -20.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1097 Q1098 M1139 D1142 Y1147 V1148 V1149 | S1097-A1145 VanDerWaalsContact O-CA 3.25Å; S1097-A1145 WeakPolarHBondContact O-CA 3.31Å; S1097-A1145 WeakPolarHBondContact O-CB 3.27Å; S1097-A1145 PolarHBondContact O-N 3.27Å; S1097-A1145 VanDerWaalsContact O-N 3.08Å; Q1098-A1145 HydrophobicContact CG-CB 4.28Å; M1139-A1145 HydrophobicContact CB-CB 3.69Å; M1139-A1145 HydrophobicContact CE-CB 4.39Å; M1139-A1145 HydrophobicContact CG-CB 3.78Å; M1139-A1145 CarbonylContact O-C 3.51Å; M1139-A1145 VanDerWaalsContact O-C 3.25Å; M1139-A1145 WeakPolarHBondContact O-CB 3.5Å; D1142-A1145 HydrophobicContact CB-CB 4.08Å; D1142-A1145 PolarHBondContact OD1-N 3.34Å; A1145-Y1147 PolarHBondContact O-N 3.12Å; A1145-V1148 WeakPolarHBondContact O-CB 2.99Å; A1145-V1148 PolarHBondContact O-N 3.31Å; A1145-V1148 VanDerWaalsContact O-N 3.15Å; A1145-V1149 PolarHBondContact O-N 3.11Å |
| 1146 | N | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -27.9 | 173.6 | 78.9 | 89.2 | 0 | 0 | 0 | 112.3 | M1139 D1142 Q1143 Y1144 Q1150 I1184 | M1139-N1146 WeakPolarHBondContact O-CA 3.42Å; M1139-N1146 PolarHBondContact O-N 3.3Å; D1142-N1146 WeakPolarHBondContact O-CB 3.47Å; D1142-N1146 PolarHBondContact O-ND2 3.23Å; Q1143-N1146 VanDerWaalsContact C-ND2 3.27Å; Q1143-N1146 PolarHBondContact O-ND2 2.99Å; Y1144-N1146 PolarHBondContact O-N 2.94Å; Y1144-N1146 VanDerWaalsContact O-N 3.16Å; N1146-Q1150 VanDerWaalsContact O-CG 3.28Å; N1146-Q1150 WeakPolarHBondContact O-CG 3.32Å; N1146-Q1150 PolarHBondContact O-N 3.44Å; N1146-Q1150 VanDerWaalsContact O-N 3.14Å; N1146-Q1150 PolarHBondContact O-NE2 3.19Å; N1146-Q1150 PolarHBondContact OD1-NE2 2.96Å; N1146-Q1150 VanDerWaalsContact OD1-NE2 3.13Å; N1146-I1184 HydrophobicContact CB-CD1 3.9Å; N1146-I1184 WeakPolarHBondContact O-CD1 3.48Å |
| 1147 | Y | 97.9 | Very high | 96.1 | Very high | 118 Ų | 118 | 34.7 Ų | 34.7 | 46% | 0.463 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -73.3 | -41.2 | 174.2 | -63.4 | -77.2 | 0 | 0 | 0 | 111.2 | E1107 Q1143 Y1144 A1145 V1149 Q1150 R1151 | E1107-Y1147 WeakPolarHBondContact OE1-CB 3.26Å; Q1143-Y1147 WeakPolarHBondContact O-CE2 3.39Å; Y1144-Y1147 WeakPolarHBondContact O-CB 3.45Å; Y1144-Y1147 WeakPolarHBondContact O-CD2 3.28Å; Y1144-Y1147 PolarHBondContact O-N 2.81Å; A1145-Y1147 PolarHBondContact O-N 3.12Å; Y1147-V1149 VanDerWaalsContact C-N 3.35Å; Y1147-V1149 PolarHBondContact O-N 3.3Å; Y1147-Q1150 WeakPolarHBondContact O-CB 3.49Å; Y1147-Q1150 PolarHBondContact O-N 3.34Å; Y1147-R1151 PolarHBondContact O-N 3.43Å |
| 1148 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 172.3 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | V1106 E1107 M1139 A1145 Q1150 R1151 M1152 | V1106-V1148 HydrophobicContact CB-CG1 4.4Å; V1106-V1148 HydrophobicContact CB-CG2 4.28Å; V1106-V1148 HydrophobicContact CG1-CG1 3.59Å; V1106-V1148 HydrophobicContact CG1-CG2 4.34Å; E1107-V1148 HydrophobicContact CG-CG2 4.06Å; M1139-V1148 HydrophobicContact CE-CB 4.14Å; M1139-V1148 HydrophobicContact CE-CG1 3.91Å; A1145-V1148 WeakPolarHBondContact O-CB 2.99Å; A1145-V1148 PolarHBondContact O-N 3.31Å; A1145-V1148 VanDerWaalsContact O-N 3.15Å; V1148-Q1150 PolarHBondContact O-N 3.42Å; V1148-R1151 WeakPolarHBondContact O-CB 3.33Å; V1148-R1151 PolarHBondContact O-N 2.94Å; V1148-R1151 VanDerWaalsContact O-N 3.13Å; V1148-M1152 HydrophobicContact CG1-CE 4.11Å; V1148-M1152 HydrophobicContact CG1-CG 4.42Å; V1148-M1152 HydrophobicContact CG1-SD 4.35Å; V1148-M1152 WeakPolarHBondContact O-CG 3.36Å; V1148-M1152 PolarHBondContact O-N 3.28Å |
| 1149 | V | 97.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | L1136 M1139 M1140 A1145 Y1147 R1151 M1152 I1153 I1168 I1184 | L1136-V1149 HydrophobicContact CD1-CB 4.47Å; L1136-V1149 HydrophobicContact CD1-CG1 3.74Å; L1136-V1149 HydrophobicContact CD1-CG2 3.85Å; M1139-V1149 HydrophobicContact CB-CG2 3.64Å; M1139-V1149 HydrophobicContact CE-CG2 3.98Å; M1140-V1149 HydrophobicContact CG-CB 4.47Å; M1140-V1149 HydrophobicContact CG-CG1 3.91Å; M1140-V1149 HydrophobicContact CG-CG2 4.28Å; A1145-V1149 PolarHBondContact O-N 3.11Å; Y1147-V1149 VanDerWaalsContact C-N 3.35Å; Y1147-V1149 PolarHBondContact O-N 3.3Å; V1149-R1151 VanDerWaalsContact C-N 3.3Å; V1149-R1151 PolarHBondContact O-N 2.68Å; V1149-M1152 PolarHBondContact O-N 2.74Å; V1149-I1153 HydrophobicContact CG1-CD1 3.99Å; V1149-I1153 WeakPolarHBondContact O-CD1 3.49Å; V1149-I1153 VanDerWaalsContact O-CG1 3.32Å; V1149-I1153 WeakPolarHBondContact O-CG1 3.48Å; V1149-I1153 PolarHBondContact O-N 2.84Å; V1149-I1168 HydrophobicContact CG1-CD1 4.4Å; V1149-I1184 HydrophobicContact CB-CD1 4.1Å; V1149-I1184 HydrophobicContact CG1-CD1 4.12Å |
| 1150 | Q | 96.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 41 Ų | 41 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 174 | -71.6 | 169.6 | 85.7 | 0 | 0 | 111.9 | N1146 Y1147 V1148 I1153 D1154 I1184 K1187 | N1146-Q1150 VanDerWaalsContact O-CG 3.28Å; N1146-Q1150 WeakPolarHBondContact O-CG 3.32Å; N1146-Q1150 PolarHBondContact O-N 3.44Å; N1146-Q1150 VanDerWaalsContact O-N 3.14Å; N1146-Q1150 PolarHBondContact O-NE2 3.19Å; N1146-Q1150 PolarHBondContact OD1-NE2 2.96Å; N1146-Q1150 VanDerWaalsContact OD1-NE2 3.13Å; Y1147-Q1150 WeakPolarHBondContact O-CB 3.49Å; Y1147-Q1150 PolarHBondContact O-N 3.34Å; V1148-Q1150 PolarHBondContact O-N 3.42Å; Q1150-I1153 PolarHBondContact O-N 3.45Å; Q1150-D1154 PolarHBondContact O-N 3.38Å; Q1150-D1154 VanDerWaalsContact O-N 3.11Å; Q1150-I1184 HydrophobicContact CG-CD1 3.86Å; Q1150-K1187 HydrophobicContact CB-CD 4.45Å; Q1150-K1187 HydrophobicContact CB-CG 4.36Å; Q1150-K1187 HydrophobicContact CG-CB 4.12Å; Q1150-K1187 HydrophobicContact CG-CD 4.37Å; Q1150-K1187 HydrophobicContact CG-CG 3.98Å |
| 1151 | R | 96.6 | Very high | 95.2 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.3 | -41.1 | 176.3 | -165.7 | 65.1 | 63.8 | 166 | 4.8 | 112.6 | E1107 V1110 I1111 Y1147 V1148 V1149 I1153 D1154 M1155 | E1107-R1151 HydrophobicContact CB-CG 4.28Å; E1107-R1151 HydrophobicContact CG-CB 3.98Å; E1107-R1151 HydrophobicContact CG-CG 4.21Å; E1107-R1151 IonicContact OE2-CZ 3.91Å; E1107-R1151 IonicContact OE2-NE 2.7Å; E1107-R1151 PolarHBondContact OE2-NE 3.33Å; E1107-R1151 IonicContact OE2-NH2 2.71Å; E1107-R1151 PolarHBondContact OE2-NH2 3.32Å; V1110-R1151 HydrophobicContact CB-CG 4.38Å; V1110-R1151 HydrophobicContact CG1-CG 4.07Å; I1111-R1151 HydrophobicContact CD1-CG 4.3Å; I1111-R1151 HydrophobicContact CG1-CG 3.96Å; Y1147-R1151 PolarHBondContact O-N 3.43Å; V1148-R1151 WeakPolarHBondContact O-CB 3.33Å; V1148-R1151 PolarHBondContact O-N 2.94Å; V1148-R1151 VanDerWaalsContact O-N 3.13Å; V1149-R1151 VanDerWaalsContact C-N 3.3Å; V1149-R1151 PolarHBondContact O-N 2.68Å; R1151-I1153 VanDerWaalsContact C-N 3.34Å; R1151-D1154 PolarHBondContact O-N 3.24Å; R1151-M1155 HydrophobicContact CG-CG 4.28Å; R1151-M1155 WeakPolarHBondContact O-CB 3.34Å; R1151-M1155 WeakPolarHBondContact O-CG 3.45Å; R1151-M1155 PolarHBondContact O-N 2.95Å |
| 1152 | M | 96.3 | Very high | 95 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 173.4 | -72.2 | -177 | 164.4 | 0 | 0 | 111.2 | V1093 V1110 L1121 I1122 V1125 V1148 V1149 D1154 M1155 A1156 I1164 | V1093-M1152 HydrophobicContact CG1-CE 3.89Å; V1110-M1152 HydrophobicContact CG1-CG 4.27Å; V1110-M1152 HydrophobicContact CG2-CE 3.91Å; V1110-M1152 HydrophobicContact CG2-CG 4.02Å; L1121-M1152 WeakPolarHBondContact O-CE 3.26Å; I1122-M1152 HydrophobicContact CD1-CB 4.48Å; I1122-M1152 HydrophobicContact CG1-CB 4.14Å; I1122-M1152 HydrophobicContact CG1-CE 4.31Å; I1122-M1152 HydrophobicContact CG1-CG 3.87Å; I1122-M1152 HydrophobicContact CG1-SD 4.19Å; V1125-M1152 HydrophobicContact CB-CE 4.4Å; V1125-M1152 HydrophobicContact CB-SD 4.19Å; V1125-M1152 HydrophobicContact CG1-SD 4.34Å; V1125-M1152 HydrophobicContact CG2-CE 3.8Å; V1125-M1152 HydrophobicContact CG2-SD 4.12Å; V1148-M1152 HydrophobicContact CG1-CE 4.11Å; V1148-M1152 HydrophobicContact CG1-CG 4.42Å; V1148-M1152 HydrophobicContact CG1-SD 4.35Å; V1148-M1152 WeakPolarHBondContact O-CG 3.36Å; V1148-M1152 PolarHBondContact O-N 3.28Å; V1149-M1152 PolarHBondContact O-N 2.74Å; M1152-D1154 PolarHBondContact O-N 3.16Å; M1152-M1155 PolarHBondContact O-N 2.98Å; M1152-A1156 WeakPolarHBondContact O-CA 3.49Å; M1152-A1156 WeakPolarHBondContact O-CB 3.37Å; M1152-A1156 PolarHBondContact O-N 3.26Å; M1152-I1164 HydrophobicContact CB-CD1 4.38Å |
| 1153 | I | 94.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 174.6 | -69.7 | 159.7 | 0 | 0 | 0 | 111.4 | V1149 Q1150 R1151 R1161 I1164 M1165 I1168 I1184 L1188 | V1149-I1153 HydrophobicContact CG1-CD1 3.99Å; V1149-I1153 WeakPolarHBondContact O-CD1 3.49Å; V1149-I1153 VanDerWaalsContact O-CG1 3.32Å; V1149-I1153 WeakPolarHBondContact O-CG1 3.48Å; V1149-I1153 PolarHBondContact O-N 2.84Å; Q1150-I1153 PolarHBondContact O-N 3.45Å; R1151-I1153 VanDerWaalsContact C-N 3.34Å; I1153-R1161 PolarHBondContact O-NE 2.84Å; I1153-I1164 HydrophobicContact CG1-CG2 3.88Å; I1153-M1165 HydrophobicContact CG2-CE 3.84Å; I1153-I1168 HydrophobicContact CD1-CD1 3.99Å; I1153-I1184 HydrophobicContact CD1-CG2 4.39Å; I1153-L1188 HydrophobicContact CD1-CD2 3.84Å; I1153-L1188 HydrophobicContact CG2-CD2 4.47Å |
| 1154 | D | 93.6 | Very high | 94.4 | Very high | 58 Ų | 58 | 43 Ų | 43 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.2 | -49.4 | 177.9 | -73.6 | -28.3 | 0 | 0 | 0 | 112.1 | Q1150 R1151 M1152 R1161 K1187 | Q1150-D1154 PolarHBondContact O-N 3.38Å; Q1150-D1154 VanDerWaalsContact O-N 3.11Å; R1151-D1154 PolarHBondContact O-N 3.24Å; M1152-D1154 PolarHBondContact O-N 3.16Å; D1154-R1161 PolarHBondContact O-NH2 3.19Å; D1154-K1187 WeakPolarHBondContact OD1-CE 3.41Å; D1154-K1187 IonicContact OD1-NZ 3.36Å; D1154-K1187 PolarHBondContact OD1-NZ 2.81Å; D1154-K1187 WeakPolarHBondContact OD2-CE 3.26Å; D1154-K1187 IonicContact OD2-NZ 3.42Å; D1154-K1187 PolarHBondContact OD2-NZ 2.66Å |
| 1155 | M | 94.6 | Very high | 94.1 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 37% | 0.365 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -89.1 | -13 | -169.3 | -57.6 | -71.8 | 90 | 0 | 0 | 114.4 | V1110 I1111 R1118 R1151 M1152 | V1110-M1155 HydrophobicContact CG1-CB 3.8Å; V1110-M1155 HydrophobicContact CG1-CG 4.06Å; I1111-M1155 HydrophobicContact CG1-CG 4.38Å; I1111-M1155 HydrophobicContact CG1-SD 4.39Å; R1118-M1155 VanDerWaalsContact CD-O 3.3Å; R1118-M1155 WeakPolarHBondContact CD-O 3.38Å; R1118-M1155 PolarHBondContact NE-O 3.15Å; R1151-M1155 HydrophobicContact CG-CG 4.28Å; R1151-M1155 WeakPolarHBondContact O-CB 3.34Å; R1151-M1155 WeakPolarHBondContact O-CG 3.45Å; R1151-M1155 PolarHBondContact O-N 2.95Å; M1152-M1155 PolarHBondContact O-N 2.98Å |
| 1156 | A | 94.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -60.1 | 137.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | I1122 M1152 Q1160 R1161 I1164 | I1122-A1156 HydrophobicContact CD1-CB 3.98Å; M1152-A1156 WeakPolarHBondContact O-CA 3.49Å; M1152-A1156 WeakPolarHBondContact O-CB 3.37Å; M1152-A1156 PolarHBondContact O-N 3.26Å; A1156-Q1160 HydrophobicContact CB-CB 4.15Å; A1156-R1161 HydrophobicContact CB-CB 3.88Å; A1156-R1161 HydrophobicContact CB-CG 4.44Å; A1156-R1161 PolarHBondContact O-NH2 3.32Å; A1156-I1164 HydrophobicContact CB-CD1 3.83Å |
| 1157 | E | 92.5 | Very high | 93.4 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | trans | -66.5 | 154.2 | 168.1 | -59.8 | -167.9 | 165.9 | 0 | 0 | 110.4 | R1115 A1159 Q1160 R1161 | R1115-E1157 WeakPolarHBondContact CD-OE1 3.24Å; E1157-A1159 VanDerWaalsContact C-N 3.26Å; E1157-A1159 PolarHBondContact O-N 3.41Å; E1157-Q1160 PolarHBondContact O-N 3.35Å; E1157-R1161 PolarHBondContact O-N 3.31Å | ||
| 1158 | P | 91.1 | Very high | 93.2 | Very high | 74 Ų | 74 | 44.8 Ų | 44.8 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -53.3 | -36.9 | -169.2 | -29.8 | 36.3 | 0 | 0 | 0 | 115.1 | K1162 | P1158-K1162 WeakPolarHBondContact O-CG 3.48Å; P1158-K1162 PolarHBondContact O-N 2.94Å |
| 1159 | A | 90.6 | Very high | 92.9 | Very high | 72 Ų | 72 | 49 Ų | 49 | 60% | 0.595 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.4 | -51.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1157 R1161 K1162 I1163 | E1157-A1159 VanDerWaalsContact C-N 3.26Å; E1157-A1159 PolarHBondContact O-N 3.41Å; A1159-R1161 VanDerWaalsContact C-N 3.32Å; A1159-R1161 PolarHBondContact O-N 3.36Å; A1159-K1162 PolarHBondContact O-N 3.04Å; A1159-I1163 PolarHBondContact O-N 3.16Å |
| 1160 | Q | 91.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 176.1 | -64.7 | -158.6 | -59.5 | 0 | 0 | 111.9 | A1119 I1122 A1156 E1157 K1162 I1163 I1164 | A1119-Q1160 VanDerWaalsContact CA-NE2 3.33Å; A1119-Q1160 PolarHBondContact O-NE2 3.4Å; I1122-Q1160 HydrophobicContact CG2-CB 4.3Å; A1156-Q1160 HydrophobicContact CB-CB 4.15Å; E1157-Q1160 PolarHBondContact O-N 3.35Å; Q1160-K1162 VanDerWaalsContact C-N 3.3Å; Q1160-K1162 PolarHBondContact O-N 3.23Å; Q1160-I1163 WeakPolarHBondContact O-CA 3.44Å; Q1160-I1163 WeakPolarHBondContact O-CB 3.3Å; Q1160-I1163 PolarHBondContact O-N 3.03Å; Q1160-I1164 WeakPolarHBondContact O-CG1 3.42Å; Q1160-I1164 PolarHBondContact O-N 3.38Å |
| 1161 | R | 91.9 | Very high | 92.5 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 15% | 0.151 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 177 | -163.1 | -176 | -70.6 | 139 | 1.2 | 110.9 | I1153 D1154 A1156 E1157 A1159 I1163 I1164 M1165 Y1191 | I1153-R1161 PolarHBondContact O-NE 2.84Å; D1154-R1161 PolarHBondContact O-NH2 3.19Å; A1156-R1161 HydrophobicContact CB-CB 3.88Å; A1156-R1161 HydrophobicContact CB-CG 4.44Å; A1156-R1161 PolarHBondContact O-NH2 3.32Å; E1157-R1161 PolarHBondContact O-N 3.31Å; A1159-R1161 VanDerWaalsContact C-N 3.32Å; A1159-R1161 PolarHBondContact O-N 3.36Å; R1161-I1163 VanDerWaalsContact C-N 3.33Å; R1161-I1163 PolarHBondContact O-N 2.72Å; R1161-I1164 PolarHBondContact O-N 3.05Å; R1161-M1165 HydrophobicContact CG-CE 3.95Å; R1161-M1165 HydrophobicContact CG-CG 4.45Å; R1161-M1165 WeakPolarHBondContact O-CB 3.24Å; R1161-M1165 WeakPolarHBondContact O-CG 3.24Å; R1161-M1165 PolarHBondContact O-N 2.88Å; R1161-Y1191 VanDerWaalsContact CD-CE2 3.44Å; R1161-Y1191 VanDerWaalsContact CD-OH 3.31Å; R1161-Y1191 WeakPolarHBondContact CD-OH 3.44Å; R1161-Y1191 PolarHBondContact NH1-OH 2.95Å |
| 1162 | K | 90.3 | Very high | 92.3 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 173.4 | -72.1 | 174.1 | -175.6 | -180 | 0 | 112.5 | P1158 A1159 Q1160 M1165 H1166 E1199 L1200 | P1158-K1162 WeakPolarHBondContact O-CG 3.48Å; P1158-K1162 PolarHBondContact O-N 2.94Å; A1159-K1162 PolarHBondContact O-N 3.04Å; Q1160-K1162 VanDerWaalsContact C-N 3.3Å; Q1160-K1162 PolarHBondContact O-N 3.23Å; K1162-M1165 PolarHBondContact O-N 3.3Å; K1162-H1166 WeakPolarHBondContact O-CB 3.35Å; K1162-H1166 PolarHBondContact O-N 2.99Å; K1162-E1199 WeakPolarHBondContact CE-O 3.06Å; K1162-E1199 WeakPolarHBondContact CE-OE1 3.5Å; K1162-E1199 IonicContact NZ-OE1 2.79Å; K1162-E1199 PolarHBondContact NZ-OE1 3.3Å; K1162-L1200 HydrophobicContact CB-CD2 4.38Å; K1162-L1200 HydrophobicContact CG-CD2 4Å; K1162-L1200 HydrophobicContact CG-CG 4.49Å |
| 1163 | I | 91.2 | Very high | 92 | Very high | 81 Ų | 81 | 55.5 Ų | 55.5 | 42% | 0.415 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.7 | -46.8 | 174 | -62.2 | 169.1 | 0 | 0 | 0 | 111.2 | C1126 A1159 Q1160 R1161 H1166 K1167 | C1126-I1163 HydrophobicContact CB-CG2 4.45Å; A1159-I1163 PolarHBondContact O-N 3.16Å; Q1160-I1163 WeakPolarHBondContact O-CA 3.44Å; Q1160-I1163 WeakPolarHBondContact O-CB 3.3Å; Q1160-I1163 PolarHBondContact O-N 3.03Å; R1161-I1163 VanDerWaalsContact C-N 3.33Å; R1161-I1163 PolarHBondContact O-N 2.72Å; I1163-H1166 PolarHBondContact O-N 2.85Å; I1163-K1167 HydrophobicContact CG2-CD 4.09Å; I1163-K1167 WeakPolarHBondContact O-CG 3.21Å; I1163-K1167 PolarHBondContact O-N 2.91Å |
| 1164 | I | 92.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57 | -53 | 174.4 | -61.9 | 167.7 | 0 | 0 | 0 | 109.7 | I1122 L1136 M1152 I1153 A1156 Q1160 R1161 H1166 K1167 I1168 | I1122-I1164 HydrophobicContact CG2-CD1 3.83Å; I1122-I1164 HydrophobicContact CG2-CG1 4.19Å; L1136-I1164 HydrophobicContact CD2-CG2 4.35Å; M1152-I1164 HydrophobicContact CB-CD1 4.38Å; I1153-I1164 HydrophobicContact CG1-CG2 3.88Å; A1156-I1164 HydrophobicContact CB-CD1 3.83Å; Q1160-I1164 WeakPolarHBondContact O-CG1 3.42Å; Q1160-I1164 PolarHBondContact O-N 3.38Å; R1161-I1164 PolarHBondContact O-N 3.05Å; I1164-H1166 VanDerWaalsContact C-N 3.3Å; I1164-H1166 PolarHBondContact O-N 3.02Å; I1164-K1167 PolarHBondContact O-N 3.31Å; I1164-I1168 HydrophobicContact CG2-CD1 3.64Å; I1164-I1168 HydrophobicContact CG2-CG1 4.19Å; I1164-I1168 WeakPolarHBondContact O-CG1 3.49Å; I1164-I1168 PolarHBondContact O-N 3.47Å |
| 1165 | M | 90.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.8 | -42.5 | -179.1 | -66.1 | -78.8 | 169.5 | 0 | 0 | 112.1 | I1153 R1161 K1162 I1168 R1169 L1188 Y1191 L1200 | I1153-M1165 HydrophobicContact CG2-CE 3.84Å; R1161-M1165 HydrophobicContact CG-CE 3.95Å; R1161-M1165 HydrophobicContact CG-CG 4.45Å; R1161-M1165 WeakPolarHBondContact O-CB 3.24Å; R1161-M1165 WeakPolarHBondContact O-CG 3.24Å; R1161-M1165 PolarHBondContact O-N 2.88Å; K1162-M1165 PolarHBondContact O-N 3.3Å; M1165-I1168 PolarHBondContact O-N 3.46Å; M1165-R1169 WeakPolarHBondContact O-CB 3.48Å; M1165-R1169 PolarHBondContact O-N 2.89Å; M1165-L1188 HydrophobicContact CE-CD2 3.54Å; M1165-L1188 HydrophobicContact SD-CD1 4.43Å; M1165-L1188 HydrophobicContact SD-CD2 3.53Å; M1165-L1188 VanDerWaalsContact SD-CD2 3.53Å; M1165-Y1191 HydrophobicContact CE-CD1 3.42Å; M1165-Y1191 VanDerWaalsContact CE-CD1 3.42Å; M1165-Y1191 HydrophobicContact CE-CE1 3.91Å; M1165-Y1191 HydrophobicContact CE-CG 3.81Å; M1165-Y1191 HydrophobicContact SD-CD1 4.39Å; M1165-L1200 HydrophobicContact CB-CD1 3.76Å; M1165-L1200 HydrophobicContact CG-CD1 3.97Å |
| 1166 | H | 91 | Very high | 91.7 | Very high | 135 Ų | 135 | 59.5 Ų | 59.5 | 63% | 0.625 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.5 | -43.1 | 175.7 | -176.3 | 97.7 | 0 | 0 | 0 | 111.9 | K1162 I1163 I1164 R1169 P1170 | K1162-H1166 WeakPolarHBondContact O-CB 3.35Å; K1162-H1166 PolarHBondContact O-N 2.99Å; I1163-H1166 PolarHBondContact O-N 2.85Å; I1164-H1166 VanDerWaalsContact C-N 3.3Å; I1164-H1166 PolarHBondContact O-N 3.02Å; H1166-R1169 PolarHBondContact O-N 2.98Å; H1166-P1170 WeakPolarHBondContact O-CD 3.48Å |
| 1167 | K | 91.2 | Very high | 91.6 | Very high | 73 Ų | 73 | 67.9 Ų | 67.9 | 32% | 0.317 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.6 | -26.4 | 177.9 | -70.7 | 170.6 | -178 | -87.7 | 0 | 113.4 | C1126 L1136 I1163 I1164 H1171 | C1126-K1167 HydrophobicContact CB-CD 3.86Å; C1126-K1167 WeakPolarHBondContact O-CD 3.47Å; C1126-K1167 VanDerWaalsContact O-CE 3.24Å; C1126-K1167 WeakPolarHBondContact O-CE 3.43Å; C1126-K1167 PolarHBondContact O-NZ 3.45Å; L1136-K1167 HydrophobicContact CD2-CB 3.72Å; I1163-K1167 HydrophobicContact CG2-CD 4.09Å; I1163-K1167 WeakPolarHBondContact O-CG 3.21Å; I1163-K1167 PolarHBondContact O-N 2.91Å; I1164-K1167 PolarHBondContact O-N 3.31Å; K1167-H1171 PolarHBondContact O-CD2 3.41Å; K1167-H1171 VanDerWaalsContact O-CD2 3.3Å |
| 1168 | I | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -79.5 | -34.4 | 174.2 | -59 | 178.2 | 0 | 0 | 0 | 111.9 | L1136 M1140 V1149 I1153 I1164 M1165 H1171 L1175 I1184 L1188 | L1136-I1168 HydrophobicContact CD2-CG1 3.95Å; L1136-I1168 HydrophobicContact CG-CG1 4.42Å; M1140-I1168 HydrophobicContact CE-CB 4.43Å; M1140-I1168 HydrophobicContact CE-CG1 4.01Å; M1140-I1168 HydrophobicContact CE-CG2 4.22Å; M1140-I1168 HydrophobicContact SD-CB 4.1Å; M1140-I1168 HydrophobicContact SD-CD1 3.73Å; M1140-I1168 HydrophobicContact SD-CG1 3.52Å; M1140-I1168 VanDerWaalsContact SD-CG1 3.52Å; M1140-I1168 HydrophobicContact SD-CG2 3.61Å; V1149-I1168 HydrophobicContact CG1-CD1 4.4Å; I1153-I1168 HydrophobicContact CD1-CD1 3.99Å; I1164-I1168 HydrophobicContact CG2-CD1 3.64Å; I1164-I1168 HydrophobicContact CG2-CG1 4.19Å; I1164-I1168 WeakPolarHBondContact O-CG1 3.49Å; I1164-I1168 PolarHBondContact O-N 3.47Å; M1165-I1168 PolarHBondContact O-N 3.46Å; I1168-H1171 PolarHBondContact O-N 2.8Å; I1168-L1175 HydrophobicContact CG2-CD1 3.8Å; I1168-I1184 HydrophobicContact CD1-CG2 4.14Å; I1168-L1188 HydrophobicContact CB-CD1 4.3Å; I1168-L1188 HydrophobicContact CD1-CD1 4.4Å; I1168-L1188 HydrophobicContact CG2-CD1 3.68Å |
| 1169 | R | 91.5 | Very high | 91.8 | Very high | 88 Ų | 88 | 68.4 Ų | 68.4 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -49.2 | -46.1 | -172.3 | -177.9 | -179.3 | -80.2 | -165.3 | -9.4 | 114.6 | M1165 H1166 H1171 I1172 G1201 | M1165-R1169 WeakPolarHBondContact O-CB 3.48Å; M1165-R1169 PolarHBondContact O-N 2.89Å; H1166-R1169 PolarHBondContact O-N 2.98Å; R1169-H1171 PolarHBondContact O-N 3.47Å; R1169-I1172 WeakPolarHBondContact O-CG1 3.37Å; R1169-I1172 PolarHBondContact O-N 3.21Å; R1169-G1201 PolarHBondContact NH2-O 2.89Å |
| 1170 | P | 92.9 | Very high | 92 | Very high | 97 Ų | 97 | 69 Ų | 69 | 63% | 0.63 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -61.6 | -24.7 | 177 | -24.4 | 34.8 | 0 | 0 | 0 | 114.6 | H1166 | H1166-P1170 WeakPolarHBondContact O-CD 3.48Š|
| 1171 | H | 92.4 | Very high | 92.1 | Very high | 47 Ų | 47 | 67.5 Ų | 67.5 | 22% | 0.218 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -94.6 | -6 | -173.2 | -57.3 | -56.6 | 0 | 0 | 0 | 113.7 | Y1137 M1140 K1167 I1168 R1169 A1173 T1174 L1175 | Y1137-H1171 HydrophobicContact CD2-CB 3.97Å; Y1137-H1171 AromaticContact CD2-CD2 3.75Å; Y1137-H1171 AromaticContact CD2-CE1 3.76Å; Y1137-H1171 AromaticContact CD2-CG 3.47Å; Y1137-H1171 VanDerWaalsContact CD2-CG 3.47Å; Y1137-H1171 AromaticContact CD2-ND1 3.49Å; Y1137-H1171 WeakPolarHBondContact CD2-ND1 3.28Å; Y1137-H1171 AromaticContact CD2-NE2 3.92Å; Y1137-H1171 HydrophobicContact CE2-CB 4.12Å; Y1137-H1171 AromaticContact CE2-CG 3.87Å; Y1137-H1171 AromaticContact CE2-ND1 3.63Å; M1140-H1171 HydrophobicContact CE-CB 4.43Å; K1167-H1171 PolarHBondContact O-CD2 3.41Å; K1167-H1171 VanDerWaalsContact O-CD2 3.3Å; I1168-H1171 PolarHBondContact O-N 2.8Å; R1169-H1171 PolarHBondContact O-N 3.47Å; H1171-A1173 VanDerWaalsContact C-N 3.34Å; H1171-A1173 PolarHBondContact O-N 2.89Å; H1171-T1174 CarbonylContact O-C 3.46Å; H1171-T1174 WeakPolarHBondContact O-CA 3.38Å; H1171-T1174 PolarHBondContact O-N 3.37Å; H1171-L1175 HydrophobicContact CB-CD1 3.97Å; H1171-L1175 HydrophobicContact CB-CG 4.13Å; H1171-L1175 WeakPolarHBondContact O-CG 3.13Å; H1171-L1175 PolarHBondContact O-N 3.06Å |
| 1172 | I | 91.6 | Very high | 92.1 | Very high | 49 Ų | 49 | 70.4 Ų | 70.4 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -52.6 | -47.4 | -173.5 | -70.2 | 173.5 | 0 | 0 | 0 | 112.6 | R1169 T1174 L1175 R1176 L1185 | R1169-I1172 WeakPolarHBondContact O-CG1 3.37Å; R1169-I1172 PolarHBondContact O-N 3.21Å; I1172-T1174 VanDerWaalsContact C-N 3.25Å; I1172-T1174 PolarHBondContact O-N 2.79Å; I1172-L1175 PolarHBondContact O-N 3.15Å; I1172-R1176 PolarHBondContact O-N 2.79Å; I1172-L1185 HydrophobicContact CB-CD2 4.23Å; I1172-L1185 HydrophobicContact CG1-CD2 3.97Å; I1172-L1185 HydrophobicContact CG2-CD1 4.48Å; I1172-L1185 HydrophobicContact CG2-CD2 4.04Å; I1172-L1185 WeakPolarHBondContact O-CD1 3.45Å |
| 1173 | A | 90.8 | Very high | 92.3 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 60% | 0.595 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.3 | -29.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H1171 | H1171-A1173 VanDerWaalsContact C-N 3.34Å; H1171-A1173 PolarHBondContact O-N 2.89Å |
| 1174 | T | 90.2 | Very high | 92.4 | Very high | 52 Ų | 52 | 66.5 Ų | 66.5 | 32% | 0.319 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -84.6 | -37.5 | 178.8 | -39.7 | 0 | 0 | 0 | 0 | 111.6 | H1171 I1172 R1176 K1177 Y1178 | H1171-T1174 CarbonylContact O-C 3.46Å; H1171-T1174 WeakPolarHBondContact O-CA 3.38Å; H1171-T1174 PolarHBondContact O-N 3.37Å; I1172-T1174 VanDerWaalsContact C-N 3.25Å; I1172-T1174 PolarHBondContact O-N 2.79Å; T1174-R1176 PolarHBondContact O-N 3.04Å; T1174-K1177 WeakPolarHBondContact O-CB 3.25Å; T1174-K1177 PolarHBondContact O-N 2.88Å; T1174-Y1178 HydrophobicContact CG2-CD2 4.39Å; T1174-Y1178 HydrophobicContact CG2-CE2 3.72Å; T1174-Y1178 WeakPolarHBondContact O-CD2 3.33Å |
| 1175 | L | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -31.1 | 178.1 | -72.1 | 167.5 | 0 | 0 | 0 | 112.5 | M1140 K1141 I1168 H1171 I1172 K1177 Y1178 G1181 K1182 L1185 | M1140-L1175 HydrophobicContact CB-CD2 3.76Å; M1140-L1175 HydrophobicContact CE-CD1 3.95Å; M1140-L1175 HydrophobicContact CE-CD2 4.33Å; M1140-L1175 HydrophobicContact SD-CD1 3.62Å; M1140-L1175 HydrophobicContact SD-CD2 4.21Å; K1141-L1175 HydrophobicContact CG-CD2 4.4Å; I1168-L1175 HydrophobicContact CG2-CD1 3.8Å; H1171-L1175 HydrophobicContact CB-CD1 3.97Å; H1171-L1175 HydrophobicContact CB-CG 4.13Å; H1171-L1175 WeakPolarHBondContact O-CG 3.13Å; H1171-L1175 PolarHBondContact O-N 3.06Å; I1172-L1175 PolarHBondContact O-N 3.15Å; L1175-K1177 PolarHBondContact O-N 3.38Å; L1175-Y1178 PolarHBondContact O-N 3.06Å; L1175-Y1178 VanDerWaalsContact O-N 3.14Å; L1175-G1181 CarbonylContact O-C 3.5Å; L1175-K1182 PolarHBondContact O-N 3.46Å; L1175-L1185 HydrophobicContact CB-CD1 3.87Å; L1175-L1185 HydrophobicContact CB-CD2 4.1Å; L1175-L1185 HydrophobicContact CB-CG 3.98Å; L1175-L1185 HydrophobicContact CD1-CD2 4.06Å |
| 1176 | R | 92.6 | Very high | 92.4 | Very high | 165 Ų | 165 | 68.7 Ų | 68.7 | 62% | 0.623 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.1 | 170.7 | -71 | -173.9 | 170.7 | 167.3 | -3 | 113.6 | I1172 T1174 L1185 E1189 | I1172-R1176 PolarHBondContact O-N 2.79Å; T1174-R1176 PolarHBondContact O-N 3.04Å; R1176-L1185 HydrophobicContact CB-CD1 4.21Å; R1176-L1185 HydrophobicContact CG-CD1 3.27Å; R1176-E1189 IonicContact NH2-OE1 3.62Å |
| 1177 | K | 92.7 | Very high | 92.3 | Very high | 179 Ų | 179 | 64.7 Ų | 64.7 | 78% | 0.778 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -10.2 | -179.3 | -54 | -177 | -178.9 | -177.8 | 0 | 113.5 | T1174 L1175 | T1174-K1177 WeakPolarHBondContact O-CB 3.25Å; T1174-K1177 PolarHBondContact O-N 2.88Å; L1175-K1177 PolarHBondContact O-N 3.38Å |
| 1178 | Y | 92.9 | Very high | 92.1 | Very high | 81 Ų | 81 | 61.4 Ų | 61.4 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -101.9 | 135.8 | -178.1 | -71.8 | -62.5 | 0 | 0 | 0 | 112 | K1141 T1174 L1175 Y1180 G1181 K1182 | K1141-Y1178 HydrophobicContact CD-CD2 3.87Å; K1141-Y1178 HydrophobicContact CD-CE1 4.46Å; K1141-Y1178 HydrophobicContact CD-CE2 3.53Å; K1141-Y1178 HydrophobicContact CD-CG 4.44Å; K1141-Y1178 VanDerWaalsContact CE-CZ 3.41Å; K1141-Y1178 HydrophobicContact CG-CD1 4.5Å; K1141-Y1178 HydrophobicContact CG-CD2 3.66Å; K1141-Y1178 HydrophobicContact CG-CE2 3.9Å; K1141-Y1178 HydrophobicContact CG-CG 3.98Å; K1141-Y1178 PolarHBondContact NZ-OH 2.99Å; T1174-Y1178 HydrophobicContact CG2-CD2 4.39Å; T1174-Y1178 HydrophobicContact CG2-CE2 3.72Å; T1174-Y1178 WeakPolarHBondContact O-CD2 3.33Å; L1175-Y1178 PolarHBondContact O-N 3.06Å; L1175-Y1178 VanDerWaalsContact O-N 3.14Å; Y1178-Y1180 PolarHBondContact O-N 3Å; Y1178-Y1180 VanDerWaalsContact O-N 3.14Å; Y1178-G1181 PolarHBondContact O-N 3.43Å; Y1178-K1182 PolarHBondContact O-N 2.93Å |
| 1179 | T | 93.8 | Very high | 91.7 | Very high | 89 Ų | 89 | 65.8 Ų | 65.8 | 55% | 0.546 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -41.8 | -176.8 | -52.9 | 0 | 0 | 0 | 0 | 113.1 | K1182 | T1179-K1182 VanDerWaalsContact O-CD 3.3Å; T1179-K1182 WeakPolarHBondContact O-CD 3.45Å; T1179-K1182 WeakPolarHBondContact O-CE 3.49Å; T1179-K1182 WeakPolarHBondContact O-CG 3.4Å; T1179-K1182 PolarHBondContact O-NZ 3.22Å |
| 1180 | Y | 95.1 | Very high | 91.2 | Very high | 84 Ų | 84 | 69 Ų | 69 | 33% | 0.329 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -34.5 | -178.9 | -52.5 | -74.5 | 0 | 0 | 0 | 112.8 | K1141 D1142 Q1143 Y1178 K1182 H1183 | K1141-Y1180 WeakPolarHBondContact O-CD2 3.35Å; D1142-Y1180 WeakPolarHBondContact O-CB 3.34Å; Q1143-Y1180 HydrophobicContact CB-CD1 4.18Å; Q1143-Y1180 HydrophobicContact CB-CD2 4.17Å; Q1143-Y1180 HydrophobicContact CB-CE1 3.66Å; Q1143-Y1180 HydrophobicContact CB-CE2 3.66Å; Q1143-Y1180 HydrophobicContact CB-CG 4.41Å; Y1178-Y1180 PolarHBondContact O-N 3Å; Y1178-Y1180 VanDerWaalsContact O-N 3.14Å; Y1180-K1182 PolarHBondContact O-N 3.23Å; Y1180-K1182 VanDerWaalsContact O-N 3.15Å; Y1180-H1183 WeakPolarHBondContact O-CB 3.06Å; Y1180-H1183 PolarHBondContact O-N 3.06Å |
| 1181 | G | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.9 | -31.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1140 L1175 Y1178 H1183 I1184 L1185 | M1140-G1181 VanDerWaalsContact O-CA 3.26Å; M1140-G1181 WeakPolarHBondContact O-CA 3.35Å; M1140-G1181 PolarHBondContact O-N 3.35Å; L1175-G1181 CarbonylContact O-C 3.5Å; Y1178-G1181 PolarHBondContact O-N 3.43Å; G1181-H1183 PolarHBondContact O-N 2.83Å; G1181-I1184 WeakPolarHBondContact O-CB 3.43Å; G1181-I1184 PolarHBondContact O-N 3.36Å; G1181-L1185 PolarHBondContact O-N 3.04Å |
| 1182 | K | 93 | Very high | 89.2 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.8 | -28.2 | 173.6 | 76.9 | -164.6 | -174 | -160.3 | 0 | 113.7 | L1175 Y1178 T1179 Y1180 L1185 A1186 | L1175-K1182 PolarHBondContact O-N 3.46Å; Y1178-K1182 PolarHBondContact O-N 2.93Å; T1179-K1182 VanDerWaalsContact O-CD 3.3Å; T1179-K1182 WeakPolarHBondContact O-CD 3.45Å; T1179-K1182 WeakPolarHBondContact O-CE 3.49Å; T1179-K1182 WeakPolarHBondContact O-CG 3.4Å; T1179-K1182 PolarHBondContact O-NZ 3.22Å; Y1180-K1182 PolarHBondContact O-N 3.23Å; Y1180-K1182 VanDerWaalsContact O-N 3.15Å; K1182-L1185 PolarHBondContact O-N 2.96Å; K1182-A1186 PolarHBondContact O-N 3.47Å |
| 1183 | H | 93.1 | Very high | 87.8 | Confident | 80 Ų | 80 | 69.4 Ų | 69.4 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.8 | -34.2 | 178.3 | -62.5 | -61.9 | 0 | 0 | 0 | 111.7 | Y1180 G1181 L1185 A1186 K1187 | Y1180-H1183 WeakPolarHBondContact O-CB 3.06Å; Y1180-H1183 PolarHBondContact O-N 3.06Å; G1181-H1183 PolarHBondContact O-N 2.83Å; H1183-L1185 VanDerWaalsContact C-N 3.29Å; H1183-L1185 PolarHBondContact O-N 2.65Å; H1183-A1186 PolarHBondContact O-N 3.01Å; H1183-K1187 WeakPolarHBondContact O-CB 3.48Å; H1183-K1187 PolarHBondContact O-N 2.75Å |
| 1184 | I | 94.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 168.8 | -50 | -58.8 | 0 | 0 | 0 | 110 | M1140 N1146 V1149 Q1150 I1153 I1168 G1181 K1187 L1188 | M1140-I1184 HydrophobicContact CB-CG1 4Å; M1140-I1184 HydrophobicContact CG-CD1 4.33Å; M1140-I1184 HydrophobicContact CG-CG1 3.91Å; M1140-I1184 HydrophobicContact CG-CG2 4.25Å; M1140-I1184 HydrophobicContact SD-CG1 4.47Å; M1140-I1184 HydrophobicContact SD-CG2 3.89Å; N1146-I1184 HydrophobicContact CB-CD1 3.9Å; N1146-I1184 WeakPolarHBondContact O-CD1 3.48Å; V1149-I1184 HydrophobicContact CB-CD1 4.1Å; V1149-I1184 HydrophobicContact CG1-CD1 4.12Å; Q1150-I1184 HydrophobicContact CG-CD1 3.86Å; I1153-I1184 HydrophobicContact CD1-CG2 4.39Å; I1168-I1184 HydrophobicContact CD1-CG2 4.14Å; G1181-I1184 WeakPolarHBondContact O-CB 3.43Å; G1181-I1184 PolarHBondContact O-N 3.36Å; I1184-K1187 CarbonylContact O-C 3.07Å; I1184-K1187 WeakPolarHBondContact O-CB 3.33Å; I1184-K1187 PolarHBondContact O-N 3.45Å; I1184-K1187 VanDerWaalsContact O-N 3.16Å; I1184-L1188 HydrophobicContact CG2-CG 4.34Å; I1184-L1188 WeakPolarHBondContact O-CG 3.31Å; I1184-L1188 PolarHBondContact O-N 2.94Å |
| 1185 | L | 90.8 | Very high | 84.8 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 179.6 | -58.5 | -177 | 0 | 0 | 0 | 112.5 | I1172 L1175 R1176 G1181 K1182 H1183 K1187 L1188 E1189 | I1172-L1185 HydrophobicContact CB-CD2 4.23Å; I1172-L1185 HydrophobicContact CG1-CD2 3.97Å; I1172-L1185 HydrophobicContact CG2-CD1 4.48Å; I1172-L1185 HydrophobicContact CG2-CD2 4.04Å; I1172-L1185 WeakPolarHBondContact O-CD1 3.45Å; L1175-L1185 HydrophobicContact CB-CD1 3.87Å; L1175-L1185 HydrophobicContact CB-CD2 4.1Å; L1175-L1185 HydrophobicContact CB-CG 3.98Å; L1175-L1185 HydrophobicContact CD1-CD2 4.06Å; R1176-L1185 HydrophobicContact CB-CD1 4.21Å; R1176-L1185 HydrophobicContact CG-CD1 3.27Å; G1181-L1185 PolarHBondContact O-N 3.04Å; K1182-L1185 PolarHBondContact O-N 2.96Å; H1183-L1185 VanDerWaalsContact C-N 3.29Å; H1183-L1185 PolarHBondContact O-N 2.65Å; L1185-K1187 PolarHBondContact O-N 2.84Å; L1185-L1188 CarbonylContact O-C 3.56Å; L1185-L1188 PolarHBondContact O-N 2.96Å; L1185-E1189 WeakPolarHBondContact O-CB 3.41Å; L1185-E1189 WeakPolarHBondContact O-CG 3.01Å; L1185-E1189 PolarHBondContact O-N 3.26Å |
| 1186 | A | 90.8 | Very high | 82.8 | Confident | 42 Ų | 42 | 69.8 Ų | 69.8 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.8 | -27.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1182 H1183 K1190 | K1182-A1186 PolarHBondContact O-N 3.47Å; H1183-A1186 PolarHBondContact O-N 3.01Å; A1186-K1190 WeakPolarHBondContact O-CB 3.09Å; A1186-K1190 WeakPolarHBondContact O-CD 3.31Å; A1186-K1190 VanDerWaalsContact O-CG 3.24Å; A1186-K1190 WeakPolarHBondContact O-CG 3.41Å; A1186-K1190 PolarHBondContact O-N 3.2Å |
| 1187 | K | 89.7 | Confident | 80.8 | Confident | 52 Ų | 52 | 64.6 Ų | 64.6 | 23% | 0.226 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.5 | -40.4 | 170.5 | -175.9 | 76.6 | 174.4 | -173.4 | 0 | 111.7 | Q1150 D1154 H1183 I1184 L1185 K1190 Y1191 | Q1150-K1187 HydrophobicContact CB-CD 4.45Å; Q1150-K1187 HydrophobicContact CB-CG 4.36Å; Q1150-K1187 HydrophobicContact CG-CB 4.12Å; Q1150-K1187 HydrophobicContact CG-CD 4.37Å; Q1150-K1187 HydrophobicContact CG-CG 3.98Å; D1154-K1187 WeakPolarHBondContact OD1-CE 3.41Å; D1154-K1187 IonicContact OD1-NZ 3.36Å; D1154-K1187 PolarHBondContact OD1-NZ 2.81Å; D1154-K1187 WeakPolarHBondContact OD2-CE 3.26Å; D1154-K1187 IonicContact OD2-NZ 3.42Å; D1154-K1187 PolarHBondContact OD2-NZ 2.66Å; H1183-K1187 WeakPolarHBondContact O-CB 3.48Å; H1183-K1187 PolarHBondContact O-N 2.75Å; I1184-K1187 CarbonylContact O-C 3.07Å; I1184-K1187 WeakPolarHBondContact O-CB 3.33Å; I1184-K1187 PolarHBondContact O-N 3.45Å; I1184-K1187 VanDerWaalsContact O-N 3.16Å; L1185-K1187 PolarHBondContact O-N 2.84Å; K1187-K1190 CarbonylContact O-C 3.54Å; K1187-Y1191 PolarHBondContact O-N 2.71Å |
| 1188 | L | 87 | Confident | 78.5 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.8 | -42.6 | 177.6 | -69.4 | -163.2 | 0 | 0 | 0 | 112.6 | I1153 M1165 I1168 I1184 L1185 K1190 Y1191 Y1192 | I1153-L1188 HydrophobicContact CD1-CD2 3.84Å; I1153-L1188 HydrophobicContact CG2-CD2 4.47Å; M1165-L1188 HydrophobicContact CE-CD2 3.54Å; M1165-L1188 HydrophobicContact SD-CD1 4.43Å; M1165-L1188 HydrophobicContact SD-CD2 3.53Å; M1165-L1188 VanDerWaalsContact SD-CD2 3.53Å; I1168-L1188 HydrophobicContact CB-CD1 4.3Å; I1168-L1188 HydrophobicContact CD1-CD1 4.4Å; I1168-L1188 HydrophobicContact CG2-CD1 3.68Å; I1184-L1188 HydrophobicContact CG2-CG 4.34Å; I1184-L1188 WeakPolarHBondContact O-CG 3.31Å; I1184-L1188 PolarHBondContact O-N 2.94Å; L1185-L1188 CarbonylContact O-C 3.56Å; L1185-L1188 PolarHBondContact O-N 2.96Å; L1188-K1190 VanDerWaalsContact C-N 3.31Å; L1188-K1190 PolarHBondContact O-N 3.43Å; L1188-Y1191 CarbonylContact O-C 3.53Å; L1188-Y1191 WeakPolarHBondContact O-CA 3.49Å; L1188-Y1191 WeakPolarHBondContact O-CB 3.26Å; L1188-Y1191 PolarHBondContact O-N 3.4Å; L1188-Y1192 HydrophobicContact CB-CD2 4.4Å; L1188-Y1192 HydrophobicContact CB-CE2 4.22Å; L1188-Y1192 WeakPolarHBondContact O-CD2 3.32Å; L1188-Y1192 PolarHBondContact O-N 2.71Å |
| 1189 | E | 85.2 | Confident | 76.4 | Confident | 92 Ų | 92 | 60.8 Ų | 60.8 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.7 | -46.9 | 173.4 | -71.7 | 162.6 | 178.8 | 0 | 0 | 109.6 | R1176 L1185 Y1191 Y1192 M1193 | R1176-E1189 IonicContact NH2-OE1 3.62Å; L1185-E1189 WeakPolarHBondContact O-CB 3.41Å; L1185-E1189 WeakPolarHBondContact O-CG 3.01Å; L1185-E1189 PolarHBondContact O-N 3.26Å; E1189-Y1191 PolarHBondContact O-N 3.25Å; E1189-Y1191 VanDerWaalsContact O-N 3.15Å; E1189-Y1192 PolarHBondContact O-N 2.81Å; E1189-M1193 WeakPolarHBondContact O-CB 3.07Å; E1189-M1193 VanDerWaalsContact O-CG 3.31Å; E1189-M1193 WeakPolarHBondContact O-CG 3.29Å; E1189-M1193 PolarHBondContact O-N 2.78Å |
| 1190 | K | 81.8 | Confident | 74.3 | Confident | 156 Ų | 156 | 58.9 Ų | 58.9 | 68% | 0.678 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.8 | -8.9 | 169.7 | -74.8 | 178.5 | -179.4 | -178.7 | 0 | 115.7 | A1186 K1187 L1188 K1194 | A1186-K1190 WeakPolarHBondContact O-CB 3.09Å; A1186-K1190 WeakPolarHBondContact O-CD 3.31Å; A1186-K1190 VanDerWaalsContact O-CG 3.24Å; A1186-K1190 WeakPolarHBondContact O-CG 3.41Å; A1186-K1190 PolarHBondContact O-N 3.2Å; K1187-K1190 CarbonylContact O-C 3.54Å; L1188-K1190 VanDerWaalsContact C-N 3.31Å; L1188-K1190 PolarHBondContact O-N 3.43Å; K1190-K1194 VanDerWaalsContact O-CB 3.25Å; K1190-K1194 WeakPolarHBondContact O-CB 3.12Å; K1190-K1194 VanDerWaalsContact O-CG 3.28Å; K1190-K1194 WeakPolarHBondContact O-CG 3.26Å |
| 1191 | Y | 72.5 | Confident | 71.8 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 14% | 0.137 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -99.1 | -36.9 | 171.7 | -175.2 | -89.8 | 0 | 0 | 0 | 111.7 | R1161 M1165 K1187 L1188 E1189 K1194 S1195 | R1161-Y1191 VanDerWaalsContact CD-CE2 3.44Å; R1161-Y1191 VanDerWaalsContact CD-OH 3.31Å; R1161-Y1191 WeakPolarHBondContact CD-OH 3.44Å; R1161-Y1191 PolarHBondContact NH1-OH 2.95Å; M1165-Y1191 HydrophobicContact CE-CD1 3.42Å; M1165-Y1191 VanDerWaalsContact CE-CD1 3.42Å; M1165-Y1191 HydrophobicContact CE-CE1 3.91Å; M1165-Y1191 HydrophobicContact CE-CG 3.81Å; M1165-Y1191 HydrophobicContact SD-CD1 4.39Å; K1187-Y1191 PolarHBondContact O-N 2.71Å; L1188-Y1191 CarbonylContact O-C 3.53Å; L1188-Y1191 WeakPolarHBondContact O-CA 3.49Å; L1188-Y1191 WeakPolarHBondContact O-CB 3.26Å; L1188-Y1191 PolarHBondContact O-N 3.4Å; E1189-Y1191 PolarHBondContact O-N 3.25Å; E1189-Y1191 VanDerWaalsContact O-N 3.15Å; Y1191-K1194 CarbonylContact O-C 3.54Å; Y1191-K1194 WeakPolarHBondContact O-CA 3.47Å; Y1191-K1194 WeakPolarHBondContact O-CB 3.38Å; Y1191-K1194 PolarHBondContact O-N 3.35Å; Y1191-S1195 WeakPolarHBondContact CD1-OG 3.17Å; Y1191-S1195 WeakPolarHBondContact CE1-OG 3.24Å; Y1191-S1195 VanDerWaalsContact O-CB 3.29Å; Y1191-S1195 WeakPolarHBondContact O-CB 3.48Å; Y1191-S1195 PolarHBondContact O-N 3.32Å; Y1191-S1195 PolarHBondContact O-OG 2.75Å |
| 1192 | Y | 70.8 | Confident | 69.3 | Low | 64 Ų | 64 | 63 Ų | 63 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.4 | -50.2 | 172.7 | -74.5 | -65.3 | 0 | 0 | 0 | 110.3 | L1188 E1189 K1194 S1195 L1200 | L1188-Y1192 HydrophobicContact CB-CD2 4.4Å; L1188-Y1192 HydrophobicContact CB-CE2 4.22Å; L1188-Y1192 WeakPolarHBondContact O-CD2 3.32Å; L1188-Y1192 PolarHBondContact O-N 2.71Å; E1189-Y1192 PolarHBondContact O-N 2.81Å; Y1192-K1194 PolarHBondContact O-N 3.23Å; Y1192-S1195 PolarHBondContact O-N 3.32Å; Y1192-L1200 HydrophobicContact CE1-CD1 4.01Å |
| 1193 | M | 61.1 | Low | 67.1 | Low | 102 Ų | 102 | 65.3 Ų | 65.3 | 50% | 0.502 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 22 | 170.9 | -55.6 | -179.2 | 82.2 | 0 | 0 | 114.4 | E165 W167 E1189 | E165-M1193 VanDerWaalsContact OE1-CE 3.26Å; E165-M1193 WeakPolarHBondContact OE1-CE 3.23Å; E165-M1193 WeakPolarHBondContact OE2-CA 3.41Å; W167-M1193 VanDerWaalsContact CD1-O 3.24Å; W167-M1193 PolarHBondContact NE1-O 2.87Å; E1189-M1193 WeakPolarHBondContact O-CB 3.07Å; E1189-M1193 VanDerWaalsContact O-CG 3.31Å; E1189-M1193 WeakPolarHBondContact O-CG 3.29Å; E1189-M1193 PolarHBondContact O-N 2.78Å |
| 1194 | K | 59.7 | Low | 64.3 | Low | 98 Ų | 98 | 64.4 Ų | 64.4 | 43% | 0.426 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.1 | -0.7 | -169.6 | -122.8 | -96.5 | -176.1 | -173.6 | 0 | 112.5 | W167 K1190 Y1191 Y1192 | W167-K1194 HydrophobicContact CE3-CD 4.16Å; W167-K1194 HydrophobicContact CH2-CD 3.44Å; W167-K1194 VanDerWaalsContact CH2-CD 3.44Å; W167-K1194 HydrophobicContact CH2-CG 3.96Å; W167-K1194 HydrophobicContact CZ2-CD 3.74Å; W167-K1194 HydrophobicContact CZ2-CG 3.68Å; W167-K1194 HydrophobicContact CZ3-CD 3.62Å; W167-K1194 HydrophobicContact CZ3-CG 4.36Å; K1190-K1194 VanDerWaalsContact O-CB 3.25Å; K1190-K1194 WeakPolarHBondContact O-CB 3.12Å; K1190-K1194 VanDerWaalsContact O-CG 3.28Å; K1190-K1194 WeakPolarHBondContact O-CG 3.26Å; Y1191-K1194 CarbonylContact O-C 3.54Å; Y1191-K1194 WeakPolarHBondContact O-CA 3.47Å; Y1191-K1194 WeakPolarHBondContact O-CB 3.38Å; Y1191-K1194 PolarHBondContact O-N 3.35Å; Y1192-K1194 PolarHBondContact O-N 3.23Å |
| 1195 | S | 59.1 | Low | 61.5 | Low | 10 Ų | 10 | 67.3 Ų | 67.3 | 7% | 0.07 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | 8.8 | -156.6 | -68.6 | 0 | 0 | 0 | 0 | 116.8 | E166 R168 Y1191 Y1192 G1197 | E166-S1195 PolarHBondContact OE1-N 3.37Å; R168-S1195 VanDerWaalsContact NE-C 3.35Å; R168-S1195 PolarHBondContact NE-O 2.64Å; R168-S1195 PolarHBondContact NH2-O 3.26Å; Y1191-S1195 WeakPolarHBondContact CD1-OG 3.17Å; Y1191-S1195 WeakPolarHBondContact CE1-OG 3.24Å; Y1191-S1195 VanDerWaalsContact O-CB 3.29Å; Y1191-S1195 WeakPolarHBondContact O-CB 3.48Å; Y1191-S1195 PolarHBondContact O-N 3.32Å; Y1191-S1195 PolarHBondContact O-OG 2.75Å; Y1192-S1195 PolarHBondContact O-N 3.32Å; S1195-G1197 VanDerWaalsContact C-N 3.28Å; S1195-G1197 PolarHBondContact O-N 3.05Å |
| 1196 | G | 49.7 | Very low | 59 | Low | 24 Ų | 24 | 72.7 Ų | 72.7 | 25% | 0.247 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 18.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E166 S1198 | E166-G1196 VanDerWaalsContact CD-CA 3.45Å; E166-G1196 VanDerWaalsContact CD-N 3.3Å; E166-G1196 VanDerWaalsContact OE1-CA 3.26Å; E166-G1196 WeakPolarHBondContact OE1-CA 3.15Å; E166-G1196 PolarHBondContact OE1-N 3.43Å; G1196-S1198 VanDerWaalsContact O-CB 3.26Å; G1196-S1198 WeakPolarHBondContact O-CB 3.08Å; G1196-S1198 PolarHBondContact O-N 3.45Å; G1196-S1198 PolarHBondContact O-OG 3.18Å |
| 1197 | G | 50.8 | Low | 56.5 | Low | 55 Ų | 55 | 77.2 Ų | 77.2 | 57% | 0.567 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 65.6 | -11.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | E166 S1195 | E166-G1197 PolarHBondContact OE1-N 2.72Å; E166-G1197 WeakPolarHBondContact OE2-CA 2.81Å; E166-G1197 PolarHBondContact OE2-N 2.88Å; S1195-G1197 VanDerWaalsContact C-N 3.28Å; S1195-G1197 PolarHBondContact O-N 3.05Å |
| 1198 | S | 45.8 | Very low | 54.2 | Low | 110 Ų | 110 | 82.3 Ų | 82.3 | 77% | 0.769 | 50% | 0.499 | S | S | * | . | trans | -121.7 | -13.3 | -157.5 | -51.3 | 0 | 0 | 0 | 0 | 113.1 | G1196 L1200 | G1196-S1198 VanDerWaalsContact O-CB 3.26Å; G1196-S1198 WeakPolarHBondContact O-CB 3.08Å; G1196-S1198 PolarHBondContact O-N 3.45Å; G1196-S1198 PolarHBondContact O-OG 3.18Å; S1198-L1200 VanDerWaalsContact C-N 3.29Å; S1198-L1200 PolarHBondContact O-N 2.85Å | ||
| 1199 | E | 48.3 | Very low | 52 | Low | 71 Ų | 71 | 85.4 Ų | 85.4 | 33% | 0.332 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -76.3 | -12.6 | 179.4 | -89.7 | -142.4 | 92.9 | 0 | 0 | 114.6 | R168 K1162 | R168-E1199 IonicContact CZ-OE2 2.68Å; R168-E1199 IonicContact NH1-OE2 2.7Å; R168-E1199 IonicContact NH2-OE2 2.89Å; R168-E1199 PolarHBondContact NH2-OE2 2.74Å; K1162-E1199 WeakPolarHBondContact CE-O 3.06Å; K1162-E1199 WeakPolarHBondContact CE-OE1 3.5Å; K1162-E1199 IonicContact NZ-OE1 2.79Å; K1162-E1199 PolarHBondContact NZ-OE1 3.3Å |
| 1200 | L | 49.7 | Very low | 49.7 | Very low | 48 Ų | 48 | 88.9 Ų | 88.9 | 25% | 0.251 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -136.5 | 110.7 | 173.5 | -77.3 | 173.4 | 0 | 0 | 0 | 108.2 | K1162 M1165 Y1192 S1198 | K1162-L1200 HydrophobicContact CB-CD2 4.38Å; K1162-L1200 HydrophobicContact CG-CD2 4Å; K1162-L1200 HydrophobicContact CG-CG 4.49Å; M1165-L1200 HydrophobicContact CB-CD1 3.76Å; M1165-L1200 HydrophobicContact CG-CD1 3.97Å; Y1192-L1200 HydrophobicContact CE1-CD1 4.01Å; S1198-L1200 VanDerWaalsContact C-N 3.29Å; S1198-L1200 PolarHBondContact O-N 2.85Å |
| 1201 | G | 41.4 | Very low | 47.5 | Very low | 47 Ų | 47 | 94 Ų | 94 | 49% | 0.485 | 58% | 0.582 | S | S | . | * | trans | -53.8 | 160.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1169 | R1169-G1201 PolarHBondContact NH2-O 2.89Š| ||
| 1202 | P | 41.3 | Very low | 46.2 | Very low | 123 Ų | 123 | 96.9 Ų | 96.9 | 80% | 0.799 | 60% | 0.604 | S | S | * | * | trans | -54.6 | 153.6 | -156.4 | 18.4 | -32.7 | 0 | 0 | 0 | 114.3 | G1204 | P1202-G1204 PolarHBondContact O-N 2.68Š| ||
| 1203 | I | 46.8 | Very low | 44.9 | Very low | 149 Ų | 149 | 98.6 Ų | 98.6 | 76% | 0.764 | 62% | 0.623 | S | S | * | * | trans | -75.2 | 69.6 | 174.6 | -50.6 | 178.5 | 0 | 0 | 0 | 108.7 | ||||
| 1204 | G | 33.3 | Very low | 44 | Very low | 62 Ų | 62 | 98.4 Ų | 98.4 | 64% | 0.639 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 138.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1202 | P1202-G1204 PolarHBondContact O-N 2.68Š|
| 1205 | G | 36.1 | Very low | 43.1 | Very low | 61 Ų | 61 | 98.5 Ų | 98.5 | 63% | 0.629 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 168.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1207 | G1205-T1207 PolarHBondContact O-N 2.7Š|
| 1206 | P | 39.1 | Very low | 42.1 | Very low | 122 Ų | 122 | 104 Ų | 104 | 79% | 0.792 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.8 | 175.7 | 26.9 | -34.3 | 0 | 0 | 0 | 110.3 | N1208 | P1206-N1208 PolarHBondContact O-N 2.69Š|
| 1207 | T | 36.9 | Very low | 41.6 | Very low | 136 Ų | 136 | 109.3 Ų | 109.3 | 83% | 0.834 | 71% | 0.706 | S | S | * | * | trans | -69.8 | 99.1 | 171.3 | 46.7 | 0 | 0 | 0 | 0 | 109.2 | G1205 G1209 | G1205-T1207 PolarHBondContact O-N 2.7Å; T1207-G1209 PolarHBondContact O-N 2.86Å | ||
| 1208 | N | 43 | Very low | 40.9 | Very low | 159 Ų | 159 | 113.2 Ų | 113.2 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | trans | -56.4 | 129.7 | 162.8 | -79.2 | -19.1 | 0 | 0 | 0 | 108.3 | P1206 | P1206-N1208 PolarHBondContact O-N 2.69Š| ||
| 1209 | G | 40.9 | Very low | 40.6 | Very low | 70 Ų | 70 | 113.5 Ų | 113.5 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | -80.7 | 175.8 | -153.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1207 | T1207-G1209 PolarHBondContact O-N 2.86Š| ||
| 1210 | L | 36.8 | Very low | 39.9 | Very low | 164 Ų | 164 | 117 Ų | 117 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | trans | -154 | 109.8 | 159.7 | -111.5 | 164.6 | 0 | 0 | 0 | 108.1 | ||||
| 1211 | M | 33.9 | Very low | 39 | Very low | 263 Ų | 263 | 123.3 Ų | 123.3 | 100% | 1.296 | 79% | 0.788 | S | S | * | * | trans | 60.8 | 0 | -178.3 | -59.4 | -168.2 | 177.6 | 0 | 0 | 116 |
Retrieved 1,211 of 1,211 residues in 3134.4 ms
(Link to these results)