| 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 | 38.7 | Very low | 38.7 | Very low | 243 Ų | 243 | 160.3 Ų | 160.3 | 100% | 1.197 | 88% | 0.879 | S | S | * | * | 0 | 137.7 | 0 | -69.8 | -177.7 | 179 | 0 | 0 | 108.2 | |||||
| 2 | S | 44 | Very low | 38.2 | Very low | 107 Ų | 107 | 156.3 Ų | 156.3 | 75% | 0.748 | 87% | 0.869 | S | S | * | * | trans | -84.6 | 145.6 | -179.5 | -41.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 3 | F | 38.6 | Very low | 37.6 | Very low | 198 Ų | 198 | 154.2 Ų | 154.2 | 87% | 0.868 | 87% | 0.871 | S | S | * | * | trans | -145.3 | 111.8 | 143.8 | -82.7 | -65.6 | 0 | 0 | 0 | 111.3 | ||||
| 4 | R | 46.8 | Very low | 37.5 | Very low | 238 Ų | 238 | 160.6 Ų | 160.6 | 90% | 0.898 | 88% | 0.875 | S | S | * | * | trans | -80 | 152.7 | 150.9 | -79.6 | 178.2 | 167.3 | 172.8 | -4.8 | 107.4 | ||||
| 5 | F | 36.6 | Very low | 37.2 | Very low | 202 Ų | 202 | 157.3 Ų | 157.3 | 89% | 0.886 | 88% | 0.877 | S | S | * | * | trans | -127.5 | 135.9 | 151.1 | -124.5 | -90.4 | 0 | 0 | 0 | 111.1 | ||||
| 6 | S | 43.9 | Very low | 36.9 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 80% | 0.804 | 87% | 0.87 | S | S | * | * | trans | -118.7 | 142.3 | 171.1 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 7 | G | 35.5 | Very low | 36.8 | Very low | 77 Ų | 77 | 150 Ų | 150 | 79% | 0.794 | 87% | 0.867 | S | S | * | * | trans | -173.5 | 92.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 8 | G | 35.6 | Very low | 36.5 | Very low | 80 Ų | 80 | 149.2 Ų | 149.2 | 83% | 0.825 | 86% | 0.864 | S | S | * | * | trans | -101.1 | 159.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 9 | S | 33.6 | Very low | 36.6 | Very low | 128 Ų | 128 | 153.4 Ų | 153.4 | 90% | 0.895 | 87% | 0.865 | S | S | * | * | trans | -152.6 | 160.4 | 149.1 | -158.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 10 | R | 40 | Very low | 36.3 | Very low | 227 Ų | 227 | 154.1 Ų | 154.1 | 86% | 0.857 | 87% | 0.865 | S | S | * | * | trans | -104 | 148.3 | -173.4 | -53 | 167.6 | -177.3 | 163.5 | -0.9 | 110 | ||||
| 11 | V | 32.8 | Very low | 36.1 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 90% | 0.897 | 86% | 0.858 | S | S | * | * | trans | -137.9 | 134.6 | 147.2 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 12 | C | 32.4 | Very low | 36.1 | Very low | 112 Ų | 112 | 152 Ų | 152 | 76% | 0.757 | 85% | 0.846 | S | S | * | * | trans | -88.1 | 155.2 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 13 | S | 30.8 | Very low | 35.4 | Very low | 129 Ų | 129 | 150.4 Ų | 150.4 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | -145.5 | 155.1 | 151.4 | -90.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 14 | R | 35.8 | Very low | 35.3 | Very low | 245 Ų | 245 | 144.8 Ų | 144.8 | 93% | 0.925 | 85% | 0.845 | S | S | * | * | trans | -132.2 | 121.8 | -151.7 | 155.8 | -172.5 | 159.2 | -180 | -4.2 | 110.7 | ||||
| 15 | A | 33.2 | Very low | 34.8 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | trans | 167.1 | 151.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 16 | G | 31.4 | Very low | 34.6 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | cis | -179.3 | 134.2 | -6.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 17 | S | 35.7 | Very low | 34.1 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -73.9 | 149.8 | 179.9 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 18 | V | 32.3 | Very low | 33.9 | Very low | 135 Ų | 135 | 141 Ų | 141 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -172.1 | 130.2 | 132.6 | 141 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 19 | R | 38.6 | Very low | 33.8 | Very low | 230 Ų | 230 | 142 Ų | 142 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | trans | -85.9 | 158.1 | 161.9 | -71.7 | -177.6 | 174.6 | -155.3 | -0.2 | 109.4 | ||||
| 20 | L | 29.8 | Very low | 33.6 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | 158.4 | 162.1 | 149.7 | -85.8 | 160.8 | 0 | 0 | 0 | 106.6 | ||||
| 21 | S | 31.8 | Very low | 33.2 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 84% | 0.837 | S | S | * | * | cis | -165.5 | 169 | -35.5 | -163.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 22 | R | 38.1 | Very low | 33.2 | Very low | 249 Ų | 249 | 134.9 Ų | 134.9 | 94% | 0.94 | 83% | 0.827 | S | S | * | * | trans | -62.5 | 134 | 171.7 | -175.8 | 173 | 74.5 | -169.4 | 8.5 | 111.6 | ||||
| 23 | G | 31.1 | Very low | 33 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -178.6 | 126.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 24 | G | 35.3 | Very low | 33.1 | Very low | 79 Ų | 79 | 136.2 Ų | 136.2 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | trans | -101.6 | -179 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 25 | T | 36.8 | Very low | 32.9 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | -139.8 | 126 | 173.1 | 24.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 26 | G | 33.1 | Very low | 33.4 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -90.2 | 157.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 27 | F | 32.5 | Very low | 33.3 | Very low | 207 Ų | 207 | 129.5 Ų | 129.5 | 91% | 0.908 | 82% | 0.822 | S | S | * | * | trans | -130.1 | 146.5 | 164.3 | -97.3 | -87.4 | 0 | 0 | 0 | 110 | ||||
| 28 | V | 31.9 | Very low | 33.5 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -121.7 | 151.1 | -174.9 | 168.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 29 | A | 32.1 | Very low | 33.4 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | trans | 69.1 | 138.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 30 | G | 30.1 | Very low | 33.1 | Very low | 70 Ų | 70 | 124.8 Ų | 124.8 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | cis | 135.2 | 122.5 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 31 | N | 31.9 | Very low | 33.1 | Very low | 172 Ų | 172 | 122.9 Ų | 122.9 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -161.6 | 160.9 | 153.2 | -124.5 | 4.1 | 0 | 0 | 0 | 113.4 | ||||
| 32 | V | 31.7 | Very low | 33 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 69% | 0.685 | 82% | 0.819 | S | S | * | * | trans | -89.5 | 145.4 | -167.1 | 166.7 | 0 | 0 | 0 | 0 | 112.9 | V34 | V32-V34 HydrophobicContact CG1-CG2 3.62Š| ||
| 33 | C | 29.5 | Very low | 32.6 | Very low | 134 Ų | 134 | 119.7 Ų | 119.7 | 91% | 0.905 | 81% | 0.809 | S | S | * | * | trans | -130.6 | 138.7 | 155.5 | -64.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 34 | V | 32.8 | Very low | 32.5 | Very low | 135 Ų | 135 | 121.9 Ų | 121.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -110.1 | 117.9 | -165.7 | 173.3 | 0 | 0 | 0 | 0 | 112.8 | V32 | V32-V34 HydrophobicContact CG1-CG2 3.62Š| ||
| 35 | G | 32.2 | Very low | 32.2 | Very low | 69 Ų | 69 | 124.6 Ų | 124.6 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | 65.7 | -179.3 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 36 | P | 42 | Very low | 32 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | cis | -123 | 149.2 | -22 | 37.4 | -24 | 0 | 0 | 0 | 112.6 | ||||
| 37 | G | 30.2 | Very low | 31.9 | Very low | 80 Ų | 80 | 127 Ų | 127 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -149.8 | 110.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 38 | A | 40.5 | Very low | 31.8 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -98.9 | 109.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 39 | E | 30.3 | Very low | 31.9 | Very low | 197 Ų | 197 | 122 Ų | 122 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -131 | 145.6 | 163.9 | -69.5 | -161 | 162.9 | 0 | 0 | 111.5 | ||||
| 40 | S | 30.6 | Very low | 31.9 | Very low | 83 Ų | 83 | 122.9 Ų | 122.9 | 58% | 0.58 | 81% | 0.814 | S | S | * | * | trans | -105.2 | 115.8 | -160.2 | 164.8 | 0 | 0 | 0 | 0 | 111.1 | F42 | S40-F42 WeakPolarHBondContact O-CD2 3.45Å; S40-F42 PolarHBondContact O-N 3.18Å; S40-F42 WeakPolarHBondContact OG-CE2 3.5Å | ||
| 41 | S | 30.2 | Very low | 32.2 | Very low | 126 Ų | 126 | 125 Ų | 125 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | trans | -69.1 | 95.1 | 170.7 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | S43 | S41-S43 PolarHBondContact O-N 2.81Š| ||
| 42 | F | 30.5 | Very low | 32.3 | Very low | 182 Ų | 182 | 120.7 Ų | 120.7 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -75.9 | 113.4 | 166.7 | -71.4 | -80.4 | 0 | 0 | 0 | 110 | S40 | S40-F42 WeakPolarHBondContact O-CD2 3.45Å; S40-F42 PolarHBondContact O-N 3.18Å; S40-F42 WeakPolarHBondContact OG-CE2 3.5Å | ||
| 43 | S | 28.8 | Very low | 32.3 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -117.5 | 119 | 166.2 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | S41 | S41-S43 PolarHBondContact O-N 2.81Š| ||
| 44 | C | 28.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 117.4 Ų | 117.4 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -124.7 | 93.5 | -180 | -63.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 45 | T | 29.9 | Very low | 32.3 | Very low | 137 Ų | 137 | 121 Ų | 121 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -107.9 | 103 | 164.8 | 53.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 46 | L | 33.2 | Very low | 32.1 | Very low | 181 Ų | 181 | 121 Ų | 121 | 95% | 0.948 | 82% | 0.815 | S | S | * | * | trans | -85.7 | 140.6 | 176.7 | 177.9 | 69.1 | 0 | 0 | 0 | 110.6 | ||||
| 47 | G | 29.9 | Very low | 31.7 | Very low | 76 Ų | 76 | 122.9 Ų | 122.9 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | 113 | 102.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 48 | G | 31.3 | Very low | 31.7 | Very low | 78 Ų | 78 | 121.9 Ų | 121.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 162.2 | 72.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 49 | I | 33.2 | Very low | 31.4 | Very low | 163 Ų | 163 | 123.8 Ų | 123.8 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -133.3 | 109.3 | 161.9 | -20.2 | 176.7 | 0 | 0 | 0 | 109.3 | ||||
| 50 | S | 32.7 | Very low | 31.5 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -86.8 | 138 | 163.4 | -178.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 51 | S | 34.8 | Very low | 31.7 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -137.5 | 85.3 | 170.9 | -77.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 52 | G | 35 | Very low | 32 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -78.1 | 126.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 53 | G | 31.6 | Very low | 32 | Very low | 82 Ų | 82 | 118.6 Ų | 118.6 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -152.5 | 119 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 54 | S | 32 | Very low | 32.6 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | trans | -122.7 | 173.1 | 175.4 | -168.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 55 | F | 30.1 | Very low | 32.7 | Very low | 210 Ų | 210 | 124.3 Ų | 124.3 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | 72 | 138 | -176.6 | -39.3 | -71.3 | 0 | 0 | 0 | 114.7 | ||||
| 56 | G | 29.1 | Very low | 33.1 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | 169.6 | 164 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 57 | N | 32.5 | Very low | 33 | Very low | 178 Ų | 178 | 120.2 Ų | 120.2 | 95% | 0.952 | 79% | 0.787 | S | S | * | * | trans | 61.9 | 151.4 | 173.8 | -68.4 | 1.8 | 0 | 0 | 0 | 118.3 | ||||
| 58 | G | 29.7 | Very low | 33.2 | Very low | 60 Ų | 60 | 123.1 Ų | 123.1 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | cis | 172.3 | 173.9 | -4.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 59 | N | 34.3 | Very low | 33.3 | Very low | 144 Ų | 144 | 122.2 Ų | 122.2 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 65.9 | 153.5 | 170.2 | -68.1 | 41.5 | 0 | 0 | 0 | 118 | ||||
| 60 | E | 32.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 123.4 Ų | 123.4 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | cis | -160.9 | 140.1 | -21.5 | -115.9 | 176.2 | 145.7 | 0 | 0 | 110.5 | ||||
| 61 | V | 35.2 | Very low | 33.4 | Very low | 130 Ų | 130 | 124 Ų | 124 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | 42.5 | 140.9 | 124.8 | 169.8 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 62 | S | 35.8 | Very low | 33.5 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | 93.9 | 137.1 | 160.4 | -141 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 63 | G | 30.6 | Very low | 33.6 | Very low | 71 Ų | 71 | 128.7 Ų | 128.7 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | cis | -173.7 | 167.4 | 0.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 64 | R | 43.1 | Very low | 33.9 | Very low | 208 Ų | 208 | 133.3 Ų | 133.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -84.1 | 145.5 | -179 | -73.4 | 155.4 | 45.6 | -138.3 | -5.2 | 113.4 | ||||
| 65 | T | 29.2 | Very low | 35.1 | Very low | 136 Ų | 136 | 134 Ų | 134 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -146.7 | 122.4 | 139.8 | 46.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 66 | N | 38.3 | Very low | 35.5 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | 70.9 | 106.2 | 57.8 | -81.5 | 34.1 | 0 | 0 | 0 | 115.4 | |||||
| 67 | S | 33 | Very low | 36.1 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 164 | 119.3 | 122.4 | 43.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 68 | T | 34.1 | Very low | 36.9 | Very low | 137 Ų | 137 | 132 Ų | 132 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | 75 | 128.3 | 92.4 | -43.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 69 | G | 32.6 | Very low | 37.8 | Very low | 59 Ų | 59 | 134.8 Ų | 134.8 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | cis | 171.7 | -160.3 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 70 | F | 29.2 | Very low | 38.5 | Very low | 189 Ų | 189 | 130.3 Ų | 130.3 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | 72.4 | 132.6 | 171.4 | -64.7 | -102.4 | 0 | 0 | 0 | 115.9 | ||||
| 71 | L | 38.7 | Very low | 39.8 | Very low | 130 Ų | 130 | 129 Ų | 129 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | cis | -153 | 154.3 | 1.6 | -99.6 | 160.5 | 0 | 0 | 0 | 112.9 | ||||
| 72 | N | 36.3 | Very low | 41 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | 1.7 | 140.4 | 148.9 | -49.3 | -7.1 | 0 | 0 | 0 | 120.1 | ||||
| 73 | N | 38.2 | Very low | 42.8 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | -166.1 | 153.8 | 104.9 | -93.9 | -23.9 | 0 | 0 | 0 | 114.5 | |||||
| 74 | E | 37.6 | Very low | 44.7 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | -71.5 | 167.4 | -176.8 | -82.1 | -73.9 | 118.9 | 0 | 0 | 114.4 | ||||
| 75 | P | 56.2 | Low | 45.9 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | trans | -93.8 | 152.5 | -168.6 | 36.4 | -34 | 0 | 0 | 0 | 115.2 | ||||
| 76 | G | 39.8 | Very low | 48.3 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | trans | 99 | 111.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 77 | L | 41.5 | Very low | 50.3 | Low | 178 Ų | 178 | 124.9 Ų | 124.9 | 93% | 0.932 | 71% | 0.71 | S | S | * | * | -162.9 | 162.7 | 112.7 | -128.8 | 85.2 | 0 | 0 | 0 | 111.7 | |||||
| 78 | L | 48.8 | Very low | 52.7 | Low | 166 Ų | 166 | 124.6 Ų | 124.6 | 87% | 0.869 | 70% | 0.7 | S | S | * | * | trans | -71.8 | 161.1 | -174 | -69.6 | 129.6 | 0 | 0 | 0 | 114.7 | ||||
| 79 | S | 49.8 | Very low | 55 | Low | 119 Ų | 119 | 122.2 Ų | 122.2 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 91.1 | 69.5 | 158.6 | -166.4 | 0 | 0 | 0 | 0 | 118.8 | ||
| 80 | G | 48.6 | Very low | 57.5 | Low | 49 Ų | 49 | 123.2 Ų | 123.2 | 51% | 0.505 | 67% | 0.673 | S | S | . | * | trans | -168.3 | 15.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 81 | N | 58.4 | Low | 60.2 | Low | 126 Ų | 126 | 117.9 Ų | 117.9 | 67% | 0.674 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -79.4 | -35.5 | -148.5 | -59.1 | 34.8 | 0 | 0 | 0 | 115.3 | T85 | N81-T85 PolarHBondContact O-N 3.17Å; N81-T85 PolarHBondContact O-OG1 3.05Å; N81-T85 VanDerWaalsContact O-OG1 3.13Å |
| 82 | E | 60.5 | Low | 62.5 | Low | 158 Ų | 158 | 119.9 Ų | 119.9 | 74% | 0.738 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.9 | -41.1 | -171.2 | -173.7 | 177.6 | -177.1 | 0 | 0 | 113.4 | V84 T85 M86 | E82-V84 VanDerWaalsContact C-N 3.35Å; E82-V84 PolarHBondContact O-N 3.24Å; E82-T85 WeakPolarHBondContact CA-OG1 3.43Å; E82-T85 PolarHBondContact O-N 3.46Å; E82-T85 PolarHBondContact O-OG1 3.47Å; E82-M86 WeakPolarHBondContact O-CB 3.22Å; E82-M86 WeakPolarHBondContact O-CG 3.22Å; E82-M86 PolarHBondContact O-N 3.06Å |
| 83 | K | 73.2 | Confident | 65 | Low | 171 Ų | 171 | 118.2 Ų | 118.2 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.8 | -35.1 | -177.5 | -169.2 | 177.5 | -179.9 | -177.1 | 0 | 112.2 | Q87 | K83-Q87 WeakPolarHBondContact O-CB 3.32Å; K83-Q87 PolarHBondContact O-N 3.27Å |
| 84 | V | 71.4 | Confident | 67.4 | Low | 106 Ų | 106 | 112.4 Ų | 112.4 | 64% | 0.642 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75 | -37.6 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | E82 Q87 N88 | E82-V84 VanDerWaalsContact C-N 3.35Å; E82-V84 PolarHBondContact O-N 3.24Å; V84-Q87 PolarHBondContact O-N 3.05Å; V84-N88 PolarHBondContact O-N 3.24Å |
| 85 | T | 69.1 | Low | 70 | Confident | 80 Ų | 80 | 109.6 Ų | 109.6 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.1 | -39.5 | 172 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | N81 E82 N88 L89 | N81-T85 PolarHBondContact O-N 3.17Å; N81-T85 PolarHBondContact O-OG1 3.05Å; N81-T85 VanDerWaalsContact O-OG1 3.13Å; E82-T85 WeakPolarHBondContact CA-OG1 3.43Å; E82-T85 PolarHBondContact O-N 3.46Å; E82-T85 PolarHBondContact O-OG1 3.47Å; T85-N88 PolarHBondContact O-N 2.91Å; T85-L89 WeakPolarHBondContact O-CB 3.27Å; T85-L89 WeakPolarHBondContact O-CG 3.5Å; T85-L89 PolarHBondContact O-N 3.28Å |
| 86 | M | 78.3 | Confident | 71.7 | Confident | 93 Ų | 93 | 111.6 Ų | 111.6 | 46% | 0.458 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66 | -37.9 | 173.7 | -76.2 | -59.7 | -61.2 | 0 | 0 | 112.4 | E82 L89 N90 | E82-M86 WeakPolarHBondContact O-CB 3.22Å; E82-M86 WeakPolarHBondContact O-CG 3.22Å; E82-M86 PolarHBondContact O-N 3.06Å; M86-L89 PolarHBondContact O-N 3.03Å; M86-L89 HydrophobicContact SD-CD1 4.33Å; M86-N90 WeakPolarHBondContact O-CB 3.27Å; M86-N90 VanDerWaalsContact O-CG 3.26Å; M86-N90 PolarHBondContact O-N 3.29Å; M86-N90 PolarHBondContact O-ND2 2.9Å |
| 87 | Q | 81.2 | Confident | 74.2 | Confident | 97 Ų | 97 | 112.8 Ų | 112.8 | 45% | 0.453 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.8 | -47.9 | 173.4 | -169.2 | 64.4 | 49.2 | 0 | 0 | 110.7 | K83 V84 L89 N90 D91 | K83-Q87 WeakPolarHBondContact O-CB 3.32Å; K83-Q87 PolarHBondContact O-N 3.27Å; V84-Q87 PolarHBondContact O-N 3.05Å; Q87-L89 VanDerWaalsContact C-N 3.32Å; Q87-L89 PolarHBondContact O-N 2.82Å; Q87-N90 PolarHBondContact O-N 3.43Å; Q87-N90 VanDerWaalsContact O-N 3.14Å; Q87-D91 PolarHBondContact NE2-OD1 3.5Å; Q87-D91 WeakPolarHBondContact O-CB 3.32Å; Q87-D91 PolarHBondContact O-N 3.39Å |
| 88 | N | 82.3 | Confident | 76.6 | Confident | 103 Ų | 103 | 109.6 Ų | 109.6 | 55% | 0.551 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.1 | -37.7 | 178.4 | -172.2 | -100.4 | 0 | 0 | 0 | 113 | V84 T85 R92 | V84-N88 PolarHBondContact O-N 3.24Å; T85-N88 PolarHBondContact O-N 2.91Å; N88-R92 WeakPolarHBondContact O-CB 3.44Å; N88-R92 PolarHBondContact O-N 2.84Å |
| 89 | L | 83.9 | Confident | 78.7 | Confident | 88 Ų | 88 | 107 Ų | 107 | 46% | 0.461 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65 | -43.1 | 172.8 | -79.2 | 162.7 | 0 | 0 | 0 | 112.1 | T85 M86 Q87 R92 L93 | T85-L89 WeakPolarHBondContact O-CB 3.27Å; T85-L89 WeakPolarHBondContact O-CG 3.5Å; T85-L89 PolarHBondContact O-N 3.28Å; M86-L89 PolarHBondContact O-N 3.03Å; M86-L89 HydrophobicContact SD-CD1 4.33Å; Q87-L89 VanDerWaalsContact C-N 3.32Å; Q87-L89 PolarHBondContact O-N 2.82Å; L89-R92 PolarHBondContact O-N 3.42Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 3.35Å |
| 90 | N | 85.5 | Confident | 80.8 | Confident | 80 Ų | 80 | 103.3 Ų | 103.3 | 43% | 0.428 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 175.8 | -75.5 | -16 | 0 | 0 | 0 | 112.2 | M86 Q87 R92 L93 A94 | M86-N90 WeakPolarHBondContact O-CB 3.27Å; M86-N90 VanDerWaalsContact O-CG 3.26Å; M86-N90 PolarHBondContact O-N 3.29Å; M86-N90 PolarHBondContact O-ND2 2.9Å; Q87-N90 PolarHBondContact O-N 3.43Å; Q87-N90 VanDerWaalsContact O-N 3.14Å; N90-R92 VanDerWaalsContact C-N 3.31Å; N90-R92 PolarHBondContact O-N 2.81Å; N90-L93 PolarHBondContact O-N 3.27Å; N90-A94 WeakPolarHBondContact O-CB 3.36Å; N90-A94 PolarHBondContact O-N 2.91Å |
| 91 | D | 85.6 | Confident | 82.9 | Confident | 76 Ų | 76 | 104.1 Ų | 104.1 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 175.7 | -60.5 | -21.4 | 0 | 0 | 0 | 110.1 | Q87 A94 L95 | Q87-D91 PolarHBondContact NE2-OD1 3.5Å; Q87-D91 WeakPolarHBondContact O-CB 3.32Å; Q87-D91 PolarHBondContact O-N 3.39Å; D91-A94 PolarHBondContact O-N 2.91Å; D91-L95 WeakPolarHBondContact O-CB 3.28Å; D91-L95 VanDerWaalsContact O-CG 3.3Å; D91-L95 WeakPolarHBondContact O-CG 3.36Å; D91-L95 PolarHBondContact O-N 2.89Å |
| 92 | R | 86.4 | Confident | 84.5 | Confident | 172 Ų | 172 | 100.6 Ų | 100.6 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.4 | -34.9 | 174.6 | -158.9 | 175.2 | 84.4 | 178.1 | 7.4 | 112.7 | N88 L89 N90 Y96 | N88-R92 WeakPolarHBondContact O-CB 3.44Å; N88-R92 PolarHBondContact O-N 2.84Å; L89-R92 PolarHBondContact O-N 3.42Å; N90-R92 VanDerWaalsContact C-N 3.31Å; N90-R92 PolarHBondContact O-N 2.81Å; R92-Y96 WeakPolarHBondContact O-CB 3.39Å; R92-Y96 PolarHBondContact O-N 3.48Å |
| 93 | L | 89.7 | Confident | 86.1 | Confident | 93 Ų | 93 | 97.2 Ų | 97.2 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 172.8 | -177.3 | 64.2 | 0 | 0 | 0 | 111.1 | L89 N90 Y96 L97 | L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 3.35Å; N90-L93 PolarHBondContact O-N 3.27Å; L93-Y96 PolarHBondContact O-N 2.87Å; L93-L97 HydrophobicContact CG-CD1 4.17Å; L93-L97 WeakPolarHBondContact O-CB 3.37Å; L93-L97 WeakPolarHBondContact O-CG 3.4Å; L93-L97 PolarHBondContact O-N 2.89Å |
| 94 | A | 88.5 | Confident | 87.1 | Confident | 45 Ų | 45 | 94.5 Ų | 94.5 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N90 D91 L97 N98 | N90-A94 WeakPolarHBondContact O-CB 3.36Å; N90-A94 PolarHBondContact O-N 2.91Å; D91-A94 PolarHBondContact O-N 2.91Å; A94-L97 PolarHBondContact O-N 2.85Å; A94-N98 WeakPolarHBondContact O-CB 3.09Å; A94-N98 PolarHBondContact O-N 3.25Å; A94-N98 PolarHBondContact O-ND2 2.94Å |
| 95 | L | 90.9 | Very high | 88.1 | Confident | 121 Ų | 121 | 96.4 Ų | 96.4 | 63% | 0.634 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -39.9 | 171.7 | -73.5 | 170.4 | 0 | 0 | 0 | 112.3 | D91 H99 | D91-L95 WeakPolarHBondContact O-CB 3.28Å; D91-L95 VanDerWaalsContact O-CG 3.3Å; D91-L95 WeakPolarHBondContact O-CG 3.36Å; D91-L95 PolarHBondContact O-N 2.89Å; L95-H99 WeakPolarHBondContact O-CB 3.45Å; L95-H99 PolarHBondContact O-N 3.44Å |
| 96 | Y | 92.3 | Very high | 89.3 | Confident | 152 Ų | 152 | 94.8 Ų | 94.8 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.8 | -45.9 | 175.6 | -177 | -101.9 | 0 | 0 | 0 | 111.9 | R92 L93 H99 V100 | R92-Y96 WeakPolarHBondContact O-CB 3.39Å; R92-Y96 PolarHBondContact O-N 3.48Å; L93-Y96 PolarHBondContact O-N 2.87Å; Y96-H99 PolarHBondContact O-N 2.86Å; Y96-H99 VanDerWaalsContact O-N 3.14Å; Y96-V100 HydrophobicContact CD1-CG2 4.14Å; Y96-V100 HydrophobicContact CE1-CG2 3.76Å; Y96-V100 HydrophobicContact CE2-CG2 4.34Å; Y96-V100 WeakPolarHBondContact O-CG2 3.34Å; Y96-V100 PolarHBondContact O-N 3.48Å |
| 97 | L | 92.4 | Very high | 90 | Very high | 96 Ų | 96 | 94.8 Ų | 94.8 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.8 | -71.4 | 170.3 | 0 | 0 | 0 | 111.7 | L93 A94 H99 V100 S101 | L93-L97 HydrophobicContact CG-CD1 4.17Å; L93-L97 WeakPolarHBondContact O-CB 3.37Å; L93-L97 WeakPolarHBondContact O-CG 3.4Å; L93-L97 PolarHBondContact O-N 2.89Å; A94-L97 PolarHBondContact O-N 2.85Å; L97-H99 VanDerWaalsContact C-N 3.27Å; L97-H99 PolarHBondContact O-N 3.21Å; L97-V100 PolarHBondContact O-N 2.91Å; L97-S101 PolarHBondContact O-N 2.99Å; L97-S101 PolarHBondContact O-OG 2.85Å |
| 98 | N | 92.1 | Very high | 90.6 | Very high | 110 Ų | 110 | 93 Ų | 93 | 59% | 0.588 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.5 | -37.2 | 173.8 | -71.6 | -24.1 | 0 | 0 | 0 | 112 | A94 A102 | A94-N98 WeakPolarHBondContact O-CB 3.09Å; A94-N98 PolarHBondContact O-N 3.25Å; A94-N98 PolarHBondContact O-ND2 2.94Å; N98-A102 WeakPolarHBondContact O-CB 3.13Å; N98-A102 PolarHBondContact O-N 2.8Å |
| 99 | H | 92.7 | Very high | 91.2 | Very high | 112 Ų | 112 | 91.5 Ų | 91.5 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.3 | -39.3 | 176.7 | -170.7 | 37.4 | 0 | 0 | 0 | 112.4 | L95 Y96 L97 A102 L103 | L95-H99 WeakPolarHBondContact O-CB 3.45Å; L95-H99 PolarHBondContact O-N 3.44Å; Y96-H99 PolarHBondContact O-N 2.86Å; Y96-H99 VanDerWaalsContact O-N 3.14Å; L97-H99 VanDerWaalsContact C-N 3.27Å; L97-H99 PolarHBondContact O-N 3.21Å; H99-A102 PolarHBondContact O-N 2.93Å; H99-L103 WeakPolarHBondContact O-CG 3.44Å; H99-L103 PolarHBondContact O-N 3.32Å |
| 100 | V | 94.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 91.7 Ų | 91.7 | 25% | 0.248 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 173.1 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | Y96 L97 A102 L103 E104 | Y96-V100 HydrophobicContact CD1-CG2 4.14Å; Y96-V100 HydrophobicContact CE1-CG2 3.76Å; Y96-V100 HydrophobicContact CE2-CG2 4.34Å; Y96-V100 WeakPolarHBondContact O-CG2 3.34Å; Y96-V100 PolarHBondContact O-N 3.48Å; L97-V100 PolarHBondContact O-N 2.91Å; V100-A102 VanDerWaalsContact C-N 3.31Å; V100-A102 PolarHBondContact O-N 3.33Å; V100-L103 CarbonylContact O-C 3.58Å; V100-L103 WeakPolarHBondContact O-CB 3.31Å; V100-L103 PolarHBondContact O-N 2.93Å; V100-E104 HydrophobicContact CG1-CG 4.32Å; V100-E104 WeakPolarHBondContact O-CG 3.37Å; V100-E104 PolarHBondContact O-N 2.86Å |
| 101 | S | 91.4 | Very high | 92 | Very high | 66 Ų | 66 | 94 Ų | 94 | 46% | 0.462 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -34.8 | 177.7 | -62.7 | 0 | 0 | 0 | 0 | 113.2 | L97 E104 E105 | L97-S101 PolarHBondContact O-N 2.99Å; L97-S101 PolarHBondContact O-OG 2.85Å; S101-E104 PolarHBondContact O-N 3.41Å; S101-E105 WeakPolarHBondContact O-CB 3.5Å; S101-E105 PolarHBondContact O-N 2.88Å |
| 102 | A | 93.5 | Very high | 92.4 | Very high | 53 Ų | 53 | 96.7 Ų | 96.7 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.2 | -33.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | N98 H99 V100 A106 | N98-A102 WeakPolarHBondContact O-CB 3.13Å; N98-A102 PolarHBondContact O-N 2.8Å; H99-A102 PolarHBondContact O-N 2.93Å; V100-A102 VanDerWaalsContact C-N 3.31Å; V100-A102 PolarHBondContact O-N 3.33Å; A102-A106 VanDerWaalsContact O-CB 3.32Å; A102-A106 WeakPolarHBondContact O-CB 3.46Å; A102-A106 PolarHBondContact O-N 3.18Å; A102-A106 VanDerWaalsContact O-N 3.08Å |
| 103 | L | 93.3 | Very high | 92.7 | Very high | 86 Ų | 86 | 94 Ų | 94 | 45% | 0.45 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.9 | -37.6 | 173.5 | -74.3 | 168.8 | 0 | 0 | 0 | 112.1 | H99 V100 A106 N107 | H99-L103 WeakPolarHBondContact O-CG 3.44Å; H99-L103 PolarHBondContact O-N 3.32Å; V100-L103 CarbonylContact O-C 3.58Å; V100-L103 WeakPolarHBondContact O-CB 3.31Å; V100-L103 PolarHBondContact O-N 2.93Å; L103-A106 PolarHBondContact O-N 3.41Å; L103-N107 WeakPolarHBondContact O-CB 3.43Å; L103-N107 PolarHBondContact O-N 3.44Å |
| 104 | E | 93.4 | Very high | 92.5 | Very high | 114 Ų | 114 | 94.1 Ų | 94.1 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -49.2 | 172.4 | -72.2 | 171.8 | 161.1 | 0 | 0 | 110.7 | V100 S101 A106 N107 T108 | V100-E104 HydrophobicContact CG1-CG 4.32Å; V100-E104 WeakPolarHBondContact O-CG 3.37Å; V100-E104 PolarHBondContact O-N 2.86Å; S101-E104 PolarHBondContact O-N 3.41Å; E104-A106 PolarHBondContact O-N 3.46Å; E104-N107 PolarHBondContact O-N 3.43Å; E104-T108 WeakPolarHBondContact O-CG2 3.41Å; E104-T108 PolarHBondContact O-N 2.89Å |
| 105 | E | 94.1 | Very high | 92.5 | Very high | 146 Ų | 146 | 98.4 Ų | 98.4 | 68% | 0.682 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.8 | -48.3 | 176.2 | -173.5 | 175.1 | -171.1 | 0 | 0 | 111.4 | S101 N107 T108 D109 | S101-E105 WeakPolarHBondContact O-CB 3.5Å; S101-E105 PolarHBondContact O-N 2.88Å; E105-N107 PolarHBondContact O-N 2.94Å; E105-T108 PolarHBondContact O-N 2.97Å; E105-T108 PolarHBondContact O-OG1 2.75Å; E105-D109 PolarHBondContact O-N 3.32Å; E105-D109 VanDerWaalsContact O-N 3.08Å |
| 106 | A | 93.6 | Very high | 92.2 | Very high | 46 Ų | 46 | 93.7 Ų | 93.7 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | A102 L103 E104 D109 L110 | A102-A106 VanDerWaalsContact O-CB 3.32Å; A102-A106 WeakPolarHBondContact O-CB 3.46Å; A102-A106 PolarHBondContact O-N 3.18Å; A102-A106 VanDerWaalsContact O-N 3.08Å; L103-A106 PolarHBondContact O-N 3.41Å; E104-A106 PolarHBondContact O-N 3.46Å; A106-D109 PolarHBondContact O-N 2.92Å; A106-L110 WeakPolarHBondContact O-CG 3.17Å; A106-L110 PolarHBondContact O-N 3.35Å |
| 107 | N | 92.5 | Very high | 91.8 | Very high | 93 Ų | 93 | 93.1 Ų | 93.1 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 174.5 | -80.9 | -13.5 | 0 | 0 | 0 | 111.4 | L103 E104 E105 D109 L110 E111 | L103-N107 WeakPolarHBondContact O-CB 3.43Å; L103-N107 PolarHBondContact O-N 3.44Å; E104-N107 PolarHBondContact O-N 3.43Å; E105-N107 PolarHBondContact O-N 2.94Å; N107-D109 VanDerWaalsContact C-N 3.26Å; N107-D109 PolarHBondContact O-N 3.43Å; N107-L110 PolarHBondContact O-N 3.03Å; N107-L110 VanDerWaalsContact O-N 3.13Å; N107-E111 WeakPolarHBondContact O-CG 3.49Å; N107-E111 PolarHBondContact O-N 2.9Å |
| 108 | T | 94.3 | Very high | 91.2 | Very high | 59 Ų | 59 | 95.2 Ų | 95.2 | 36% | 0.362 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.9 | -29 | 178.4 | 67.8 | 0 | 0 | 0 | 0 | 113.4 | E104 E105 K112 | E104-T108 WeakPolarHBondContact O-CG2 3.41Å; E104-T108 PolarHBondContact O-N 2.89Å; E105-T108 PolarHBondContact O-N 2.97Å; E105-T108 PolarHBondContact O-OG1 2.75Å; T108-K112 WeakPolarHBondContact O-CD 3.48Å; T108-K112 VanDerWaalsContact O-CG 3.29Å; T108-K112 WeakPolarHBondContact O-CG 3.29Å; T108-K112 PolarHBondContact O-N 3.12Å |
| 109 | D | 95 | Very high | 90.6 | Very high | 73 Ų | 73 | 97 Ų | 97 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.9 | -36.6 | 173.5 | -179.1 | 46.2 | 0 | 0 | 0 | 111.7 | E105 A106 N107 K113 | E105-D109 PolarHBondContact O-N 3.32Å; E105-D109 VanDerWaalsContact O-N 3.08Å; A106-D109 PolarHBondContact O-N 2.92Å; N107-D109 VanDerWaalsContact C-N 3.26Å; N107-D109 PolarHBondContact O-N 3.43Å; D109-K113 WeakPolarHBondContact O-CD 2.84Å; D109-K113 VanDerWaalsContact O-CG 3.26Å; D109-K113 WeakPolarHBondContact O-CG 3.36Å; D109-K113 PolarHBondContact O-N 3.36Å; D109-K113 WeakPolarHBondContact OD1-CE 3.45Å; D109-K113 IonicContact OD1-NZ 2.57Å; D109-K113 VanDerWaalsContact OD2-CE 3.3Å; D109-K113 WeakPolarHBondContact OD2-CE 3.49Å; D109-K113 IonicContact OD2-NZ 3.08Å; D109-K113 PolarHBondContact OD2-NZ 3.45Å |
| 110 | L | 93.3 | Very high | 89.9 | Confident | 92 Ų | 92 | 98.2 Ų | 98.2 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 171.1 | -72.5 | 172.2 | 0 | 0 | 0 | 112.3 | A106 N107 K112 K113 I114 | A106-L110 WeakPolarHBondContact O-CG 3.17Å; A106-L110 PolarHBondContact O-N 3.35Å; N107-L110 PolarHBondContact O-N 3.03Å; N107-L110 VanDerWaalsContact O-N 3.13Å; L110-K112 PolarHBondContact O-N 2.87Å; L110-K113 WeakPolarHBondContact O-CB 3.17Å; L110-K113 PolarHBondContact O-N 2.94Å; L110-K113 VanDerWaalsContact O-N 3.17Å; L110-I114 WeakPolarHBondContact O-CB 3.41Å; L110-I114 VanDerWaalsContact O-CG1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.31Å; L110-I114 PolarHBondContact O-N 2.9Å |
| 111 | E | 92 | Very high | 88.8 | Confident | 127 Ų | 127 | 103.9 Ų | 103.9 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.2 | -47.8 | 175.1 | -74.8 | 174.5 | 166.8 | 0 | 0 | 111.4 | N107 K113 I114 E115 | N107-E111 WeakPolarHBondContact O-CG 3.49Å; N107-E111 PolarHBondContact O-N 2.9Å; E111-K113 VanDerWaalsContact C-N 3.31Å; E111-K113 PolarHBondContact O-N 3.5Å; E111-I114 PolarHBondContact O-N 2.87Å; E111-I114 VanDerWaalsContact O-N 3.15Å; E111-E115 WeakPolarHBondContact O-CB 3.32Å; E111-E115 PolarHBondContact O-N 3.08Å |
| 112 | K | 93.6 | Very high | 87.9 | Confident | 133 Ų | 133 | 101.1 Ų | 101.1 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.7 | -35.8 | 175.1 | -73 | 165.7 | -172.7 | 158.3 | 0 | 113 | T108 L110 G116 | T108-K112 WeakPolarHBondContact O-CD 3.48Å; T108-K112 VanDerWaalsContact O-CG 3.29Å; T108-K112 WeakPolarHBondContact O-CG 3.29Å; T108-K112 PolarHBondContact O-N 3.12Å; L110-K112 PolarHBondContact O-N 2.87Å; K112-G116 PolarHBondContact O-N 3.35Å |
| 113 | K | 92.7 | Very high | 86.3 | Confident | 117 Ų | 117 | 104.9 Ų | 104.9 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.3 | -37.4 | 174.8 | -74.7 | 164.1 | -176.5 | 167.5 | 0 | 111.9 | D109 L110 E111 W117 | D109-K113 WeakPolarHBondContact O-CD 2.84Å; D109-K113 VanDerWaalsContact O-CG 3.26Å; D109-K113 WeakPolarHBondContact O-CG 3.36Å; D109-K113 PolarHBondContact O-N 3.36Å; D109-K113 WeakPolarHBondContact OD1-CE 3.45Å; D109-K113 IonicContact OD1-NZ 2.57Å; D109-K113 VanDerWaalsContact OD2-CE 3.3Å; D109-K113 WeakPolarHBondContact OD2-CE 3.49Å; D109-K113 IonicContact OD2-NZ 3.08Å; D109-K113 PolarHBondContact OD2-NZ 3.45Å; L110-K113 WeakPolarHBondContact O-CB 3.17Å; L110-K113 PolarHBondContact O-N 2.94Å; L110-K113 VanDerWaalsContact O-N 3.17Å; E111-K113 VanDerWaalsContact C-N 3.31Å; E111-K113 PolarHBondContact O-N 3.5Å; K113-W117 VanDerWaalsContact O-CB 3.24Å; K113-W117 WeakPolarHBondContact O-CB 3.45Å; K113-W117 PolarHBondContact O-N 2.9Å |
| 114 | I | 87 | Confident | 84.7 | Confident | 95 Ų | 95 | 104.3 Ų | 104.3 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -47.5 | 175.5 | -70.4 | 164.5 | 0 | 0 | 0 | 110.1 | L110 E111 W117 Y118 | L110-I114 WeakPolarHBondContact O-CB 3.41Å; L110-I114 VanDerWaalsContact O-CG1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.31Å; L110-I114 PolarHBondContact O-N 2.9Å; E111-I114 PolarHBondContact O-N 2.87Å; E111-I114 VanDerWaalsContact O-N 3.15Å; I114-W117 WeakPolarHBondContact O-CB 3.44Å; I114-W117 PolarHBondContact O-N 2.86Å; I114-W117 VanDerWaalsContact O-N 3.1Å; I114-Y118 HydrophobicContact CG2-CD2 3.64Å; I114-Y118 HydrophobicContact CG2-CE2 3.55Å; I114-Y118 VanDerWaalsContact O-CD2 3.3Å; I114-Y118 WeakPolarHBondContact O-CD2 3.33Å; I114-Y118 PolarHBondContact O-N 3.09Å |
| 115 | E | 87 | Confident | 83.1 | Confident | 135 Ų | 135 | 101.3 Ų | 101.3 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.8 | -52.2 | 175.1 | -176.2 | 177.2 | -150.5 | 0 | 0 | 111.1 | E111 W117 Y118 E119 | E111-E115 WeakPolarHBondContact O-CB 3.32Å; E111-E115 PolarHBondContact O-N 3.08Å; E115-W117 PolarHBondContact O-N 3.31Å; E115-Y118 PolarHBondContact O-N 3Å; E115-Y118 VanDerWaalsContact O-N 3.14Å; E115-E119 PolarHBondContact O-N 3.01Å |
| 116 | G | 85 | Confident | 81.4 | Confident | 21 Ų | 21 | 96.4 Ų | 96.4 | 22% | 0.216 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -66.8 | -14.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | K112 K120 | K112-G116 PolarHBondContact O-N 3.35Å; G116-K120 VanDerWaalsContact O-CD 3.29Å; G116-K120 WeakPolarHBondContact O-CD 3.45Å; G116-K120 VanDerWaalsContact O-CG 3.29Å; G116-K120 WeakPolarHBondContact O-CG 3.4Å |
| 117 | W | 84.4 | Confident | 79.6 | Confident | 141 Ų | 141 | 106.2 Ų | 106.2 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -83.9 | -44.8 | 169.4 | -170.4 | 92.3 | 0 | 0 | 0 | 110.7 | K113 I114 E115 E119 K120 Y121 | K113-W117 VanDerWaalsContact O-CB 3.24Å; K113-W117 WeakPolarHBondContact O-CB 3.45Å; K113-W117 PolarHBondContact O-N 2.9Å; I114-W117 WeakPolarHBondContact O-CB 3.44Å; I114-W117 PolarHBondContact O-N 2.86Å; I114-W117 VanDerWaalsContact O-N 3.1Å; E115-W117 PolarHBondContact O-N 3.31Å; W117-E119 VanDerWaalsContact C-N 3.32Å; W117-E119 PolarHBondContact O-N 3.01Å; W117-K120 PolarHBondContact O-N 3.06Å; W117-K120 VanDerWaalsContact O-N 3.12Å; W117-Y121 AromaticContact CD1-CD2 3.48Å; W117-Y121 VanDerWaalsContact CD1-CD2 3.48Å; W117-Y121 AromaticContact CD1-CE2 3.81Å; W117-Y121 HydrophobicContact CD2-CD2 4.03Å; W117-Y121 AromaticContact CE2-CD2 3.83Å; W117-Y121 AromaticContact CG-CD2 3.82Å; W117-Y121 HydrophobicContact CG-CD2 3.82Å; W117-Y121 HydrophobicContact CG-CE2 4.5Å; W117-Y121 AromaticContact NE1-CD2 3.47Å; W117-Y121 AromaticContact NE1-CE2 3.9Å; W117-Y121 WeakPolarHBondContact O-CB 3.5Å; W117-Y121 WeakPolarHBondContact O-CD2 3.27Å; W117-Y121 PolarHBondContact O-N 3.35Å |
| 118 | Y | 80.1 | Confident | 77.8 | Confident | 140 Ų | 140 | 103.9 Ų | 103.9 | 55% | 0.549 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 172.9 | -79.6 | -66.6 | 0 | 0 | 0 | 112.9 | I114 E115 K120 G122 | I114-Y118 HydrophobicContact CG2-CD2 3.64Å; I114-Y118 HydrophobicContact CG2-CE2 3.55Å; I114-Y118 VanDerWaalsContact O-CD2 3.3Å; I114-Y118 WeakPolarHBondContact O-CD2 3.33Å; I114-Y118 PolarHBondContact O-N 3.09Å; E115-Y118 PolarHBondContact O-N 3Å; E115-Y118 VanDerWaalsContact O-N 3.14Å; Y118-K120 VanDerWaalsContact C-N 3.28Å; Y118-K120 PolarHBondContact O-N 2.88Å; Y118-G122 WeakPolarHBondContact O-CA 3.29Å; Y118-G122 PolarHBondContact O-N 2.86Å |
| 119 | E | 79.9 | Confident | 75.9 | Confident | 148 Ų | 148 | 107.1 Ų | 107.1 | 69% | 0.692 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69 | -26.2 | 173.5 | -165.2 | -176.5 | -158 | 0 | 0 | 112.4 | E115 W117 S125 | E115-E119 PolarHBondContact O-N 3.01Å; W117-E119 VanDerWaalsContact C-N 3.32Å; W117-E119 PolarHBondContact O-N 3.01Å; E119-S125 WeakPolarHBondContact O-CB 3.27Å; E119-S125 PolarHBondContact O-OG 2.94Å |
| 120 | K | 76.8 | Confident | 74.1 | Confident | 137 Ų | 137 | 110.4 Ų | 110.4 | 60% | 0.596 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -97.4 | -27.2 | -179.7 | -71.9 | 174.3 | -171.3 | 163 | 0 | 114.8 | G116 W117 Y118 | G116-K120 VanDerWaalsContact O-CD 3.29Å; G116-K120 WeakPolarHBondContact O-CD 3.45Å; G116-K120 VanDerWaalsContact O-CG 3.29Å; G116-K120 WeakPolarHBondContact O-CG 3.4Å; W117-K120 PolarHBondContact O-N 3.06Å; W117-K120 VanDerWaalsContact O-N 3.12Å; Y118-K120 VanDerWaalsContact C-N 3.28Å; Y118-K120 PolarHBondContact O-N 2.88Å |
| 121 | Y | 71.9 | Confident | 72.6 | Confident | 159 Ų | 159 | 114 Ų | 114 | 62% | 0.624 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -134.8 | -2.9 | -169.7 | -56.8 | -74.2 | 0 | 0 | 0 | 113.5 | W117 | W117-Y121 AromaticContact CD1-CD2 3.48Å; W117-Y121 VanDerWaalsContact CD1-CD2 3.48Å; W117-Y121 AromaticContact CD1-CE2 3.81Å; W117-Y121 HydrophobicContact CD2-CD2 4.03Å; W117-Y121 AromaticContact CE2-CD2 3.83Å; W117-Y121 AromaticContact CG-CD2 3.82Å; W117-Y121 HydrophobicContact CG-CD2 3.82Å; W117-Y121 HydrophobicContact CG-CE2 4.5Å; W117-Y121 AromaticContact NE1-CD2 3.47Å; W117-Y121 AromaticContact NE1-CE2 3.9Å; W117-Y121 WeakPolarHBondContact O-CB 3.5Å; W117-Y121 WeakPolarHBondContact O-CD2 3.27Å; W117-Y121 PolarHBondContact O-N 3.35Å |
| 122 | G | 72.3 | Confident | 71.4 | Confident | 8 Ų | 8 | 113.3 Ų | 113.3 | 8% | 0.082 | 57% | 0.565 | C | S | . | * | S | Bend | trans | -70.7 | 166 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y118 G124 S125 | Y118-G122 WeakPolarHBondContact O-CA 3.29Å; Y118-G122 PolarHBondContact O-N 2.86Å; G122-G124 PolarHBondContact O-N 3.05Å; G122-S125 PolarHBondContact O-N 3.33Å |
| 123 | P | 60.8 | Low | 70.3 | Confident | 132 Ų | 132 | 113.3 Ų | 113.3 | 86% | 0.857 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -17.8 | -164.3 | -25.7 | 35.7 | 0 | 0 | 0 | 116.2 | ||
| 124 | G | 59.8 | Low | 69.7 | Low | 75 Ų | 75 | 112 Ų | 112 | 77% | 0.773 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -18.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G122 S126 | G122-G124 PolarHBondContact O-N 3.05Å; G124-S126 PolarHBondContact O-N 3.42Å |
| 125 | S | 58.3 | Low | 69.5 | Low | 50 Ų | 50 | 114.5 Ų | 114.5 | 35% | 0.35 | 58% | 0.576 | S | S | . | * | trans | -84.6 | 53.7 | -176.6 | -157.4 | 0 | 0 | 0 | 0 | 111.7 | E119 G122 R127 | E119-S125 WeakPolarHBondContact O-CB 3.27Å; E119-S125 PolarHBondContact O-OG 2.94Å; G122-S125 PolarHBondContact O-N 3.33Å; S125-R127 PolarHBondContact O-N 2.95Å | ||
| 126 | S | 58.1 | Low | 69.4 | Low | 44 Ų | 44 | 115.4 Ų | 115.4 | 31% | 0.308 | 57% | 0.574 | S | S | . | * | trans | -72.9 | 71.6 | -179.9 | -81.9 | 0 | 0 | 0 | 0 | 111.5 | G124 G128 | G124-S126 PolarHBondContact O-N 3.42Å; S126-G128 PolarHBondContact O-N 2.84Å | ||
| 127 | R | 56.6 | Low | 69.5 | Low | 251 Ų | 251 | 121.3 Ų | 121.3 | 95% | 0.947 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 74.7 | 170.3 | -169.2 | -173.5 | -178.2 | -150.7 | 0.1 | 110.5 | S125 | S125-R127 PolarHBondContact O-N 2.95Š|
| 128 | G | 55.5 | Low | 69.8 | Low | 44 Ų | 44 | 117.7 Ų | 117.7 | 45% | 0.454 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 122.5 | 1.5 | 174 | 0 | 0 | 0 | 0 | 0 | 116.7 | S126 Y131 | S126-G128 PolarHBondContact O-N 2.84Å; G128-Y131 WeakPolarHBondContact O-CD2 3.25Å; G128-Y131 VanDerWaalsContact O-CE2 3.27Å; G128-Y131 WeakPolarHBondContact O-CE2 3.44Å |
| 129 | L | 54 | Low | 70.4 | Confident | 128 Ų | 128 | 114.8 Ų | 114.8 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 2 | 175.5 | -73.1 | 173.8 | 0 | 0 | 0 | 114.6 | Y131 | L129-Y131 PolarHBondContact O-N 2.88Š|
| 130 | N | 57.3 | Low | 71.1 | Confident | 142 Ų | 142 | 111.6 Ų | 111.6 | 76% | 0.759 | 57% | 0.574 | S | S | * | * | trans | -86.7 | 55.7 | 164.2 | -72.6 | -43.5 | 0 | 0 | 0 | 111.2 | ||||
| 131 | Y | 61.6 | Low | 72 | Confident | 167 Ų | 167 | 109.4 Ų | 109.4 | 66% | 0.655 | 57% | 0.566 | S | S | * | * | trans | -84.3 | 120.6 | 156.1 | -77.7 | -78.7 | 0 | 0 | 0 | 107.3 | G128 L129 Y133 | G128-Y131 WeakPolarHBondContact O-CD2 3.25Å; G128-Y131 VanDerWaalsContact O-CE2 3.27Å; G128-Y131 WeakPolarHBondContact O-CE2 3.44Å; L129-Y131 PolarHBondContact O-N 2.88Å; Y131-Y133 VanDerWaalsContact C-N 3.26Å; Y131-Y133 WeakPolarHBondContact O-CD2 3.41Å; Y131-Y133 PolarHBondContact O-N 3.4Å | ||
| 132 | D | 66.6 | Low | 73.1 | Confident | 113 Ų | 113 | 106.4 Ų | 106.4 | 60% | 0.604 | 56% | 0.561 | S | S | * | * | trans | -68.6 | 78.8 | -178.8 | -68.3 | -33.6 | 0 | 0 | 0 | 111.9 | S134 K135 | D132-S134 PolarHBondContact O-N 2.96Å; D132-K135 PolarHBondContact O-N 3.35Å | ||
| 133 | Y | 69.4 | Low | 74.3 | Confident | 133 Ų | 133 | 110.2 Ų | 110.2 | 52% | 0.522 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.6 | -14.7 | 177.1 | -69.7 | -78.6 | 0 | 0 | 0 | 113.1 | Y131 K135 Y136 F137 | Y131-Y133 VanDerWaalsContact C-N 3.26Å; Y131-Y133 WeakPolarHBondContact O-CD2 3.41Å; Y131-Y133 PolarHBondContact O-N 3.4Å; Y133-K135 PolarHBondContact O-N 3.43Å; Y133-K135 VanDerWaalsContact O-N 3.08Å; Y133-Y136 AromaticContact CD1-CD2 3.94Å; Y133-Y136 HydrophobicContact CD1-CD2 3.94Å; Y133-Y136 HydrophobicContact CD1-CE2 4.3Å; Y133-Y136 WeakPolarHBondContact O-CB 3.38Å; Y133-Y136 PolarHBondContact O-N 2.88Å; Y133-F137 VanDerWaalsContact O-CD2 3.28Å; Y133-F137 WeakPolarHBondContact O-CD2 3.46Å; Y133-F137 PolarHBondContact O-N 3.49Å |
| 134 | S | 81.2 | Confident | 76.1 | Confident | 90 Ų | 90 | 109 Ų | 109 | 63% | 0.629 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -44.5 | -37 | 169.7 | -169.7 | 0 | 0 | 0 | 0 | 113.6 | D132 Y136 F137 S138 | D132-S134 PolarHBondContact O-N 2.96Å; S134-Y136 VanDerWaalsContact C-N 3.34Å; S134-Y136 PolarHBondContact O-N 3.33Å; S134-F137 PolarHBondContact O-N 2.79Å; S134-S138 PolarHBondContact O-N 3.42Å |
| 135 | K | 82.2 | Confident | 77.9 | Confident | 146 Ų | 146 | 113.2 Ų | 113.2 | 64% | 0.635 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.6 | -28.8 | 178 | -63.1 | 175.3 | -174.1 | 168 | 0 | 113.6 | D132 Y133 S138 V139 | D132-K135 PolarHBondContact O-N 3.35Å; Y133-K135 PolarHBondContact O-N 3.43Å; Y133-K135 VanDerWaalsContact O-N 3.08Å; K135-S138 PolarHBondContact O-OG 2.94Å; K135-S138 VanDerWaalsContact O-OG 3.13Å; K135-V139 WeakPolarHBondContact O-CG2 3.27Å |
| 136 | Y | 84.8 | Confident | 79.8 | Confident | 155 Ų | 155 | 117.1 Ų | 117.1 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -79.6 | -33.6 | 174.2 | -63.2 | -74.1 | 0 | 0 | 0 | 111.3 | Y133 S134 S138 V139 I140 | Y133-Y136 AromaticContact CD1-CD2 3.94Å; Y133-Y136 HydrophobicContact CD1-CD2 3.94Å; Y133-Y136 HydrophobicContact CD1-CE2 4.3Å; Y133-Y136 WeakPolarHBondContact O-CB 3.38Å; Y133-Y136 PolarHBondContact O-N 2.88Å; S134-Y136 VanDerWaalsContact C-N 3.34Å; S134-Y136 PolarHBondContact O-N 3.33Å; Y136-S138 PolarHBondContact O-N 2.79Å; Y136-V139 PolarHBondContact O-N 3.44Å; Y136-I140 WeakPolarHBondContact O-CB 3.29Å; Y136-I140 WeakPolarHBondContact O-CD1 3.5Å; Y136-I140 WeakPolarHBondContact O-CG1 3.41Å; Y136-I140 PolarHBondContact O-N 2.89Å |
| 137 | F | 87.7 | Confident | 81.7 | Confident | 144 Ų | 144 | 120.2 Ų | 120.2 | 63% | 0.632 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.2 | -41.7 | 176.7 | -75.7 | -72.6 | 0 | 0 | 0 | 112.7 | Y133 S134 I140 E141 | Y133-F137 VanDerWaalsContact O-CD2 3.28Å; Y133-F137 WeakPolarHBondContact O-CD2 3.46Å; Y133-F137 PolarHBondContact O-N 3.49Å; S134-F137 PolarHBondContact O-N 2.79Å; F137-I140 PolarHBondContact O-N 3.38Å; F137-E141 WeakPolarHBondContact O-CB 3.37Å; F137-E141 PolarHBondContact O-N 2.86Å |
| 138 | S | 90.4 | Very high | 83.6 | Confident | 66 Ų | 66 | 112.7 Ų | 112.7 | 46% | 0.462 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.7 | -44.5 | 175.4 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | S134 K135 Y136 I140 E141 D142 | S134-S138 PolarHBondContact O-N 3.42Å; K135-S138 PolarHBondContact O-OG 2.94Å; K135-S138 VanDerWaalsContact O-OG 3.13Å; Y136-S138 PolarHBondContact O-N 2.79Å; S138-I140 PolarHBondContact O-N 3.24Å; S138-E141 PolarHBondContact O-N 2.89Å; S138-D142 PolarHBondContact O-N 3.32Å |
| 139 | V | 93.7 | Very high | 85.7 | Confident | 79 Ų | 79 | 114.2 Ų | 114.2 | 48% | 0.479 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -40 | 177.9 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | K135 Y136 E141 D142 L143 | K135-V139 WeakPolarHBondContact O-CG2 3.27Å; Y136-V139 PolarHBondContact O-N 3.44Å; V139-E141 VanDerWaalsContact C-N 3.34Å; V139-D142 PolarHBondContact O-N 3.31Å; V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 WeakPolarHBondContact O-CB 3.46Å; V139-L143 VanDerWaalsContact O-CG 3.28Å; V139-L143 WeakPolarHBondContact O-CG 3.33Å; V139-L143 PolarHBondContact O-N 3.07Å |
| 140 | I | 93.6 | Very high | 87.7 | Confident | 81 Ų | 81 | 114.2 Ų | 114.2 | 42% | 0.415 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.3 | -41.3 | 175.1 | -71.9 | 163.9 | 0 | 0 | 0 | 110.6 | Y136 F137 S138 L143 K144 | Y136-I140 WeakPolarHBondContact O-CB 3.29Å; Y136-I140 WeakPolarHBondContact O-CD1 3.5Å; Y136-I140 WeakPolarHBondContact O-CG1 3.41Å; Y136-I140 PolarHBondContact O-N 2.89Å; F137-I140 PolarHBondContact O-N 3.38Å; S138-I140 PolarHBondContact O-N 3.24Å; I140-L143 PolarHBondContact O-N 2.94Å; I140-K144 HydrophobicContact CG2-CD 4.48Å; I140-K144 WeakPolarHBondContact O-CG 3.34Å; I140-K144 PolarHBondContact O-N 2.88Å |
| 141 | E | 95.6 | Very high | 89.7 | Confident | 90 Ų | 90 | 111.8 Ų | 111.8 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71 | -36.7 | -179.8 | -158.5 | 58.7 | -152.6 | 0 | 0 | 112.3 | F137 S138 V139 K144 R145 | F137-E141 WeakPolarHBondContact O-CB 3.37Å; F137-E141 PolarHBondContact O-N 2.86Å; S138-E141 PolarHBondContact O-N 2.89Å; V139-E141 VanDerWaalsContact C-N 3.34Å; E141-K144 PolarHBondContact O-N 3.48Å; E141-K144 WeakPolarHBondContact OE2-CD 3.29Å; E141-K144 IonicContact OE2-NZ 2.88Å; E141-K144 PolarHBondContact OE2-NZ 2.94Å; E141-R145 WeakPolarHBondContact O-CB 3.3Å; E141-R145 PolarHBondContact O-N 2.92Å |
| 142 | D | 96.4 | Very high | 91.4 | Very high | 97 Ų | 97 | 107.5 Ų | 107.5 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 171.9 | -71.9 | -27.2 | 0 | 0 | 0 | 111.9 | S138 V139 R145 Q146 | S138-D142 PolarHBondContact O-N 3.32Å; V139-D142 PolarHBondContact O-N 3.31Å; D142-R145 PolarHBondContact O-N 2.91Å; D142-Q146 WeakPolarHBondContact O-CB 3.32Å; D142-Q146 PolarHBondContact O-N 3.48Å |
| 143 | L | 97.5 | Very high | 92.9 | Very high | 88 Ų | 88 | 105 Ų | 105 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 173.8 | -75 | 170.2 | 0 | 0 | 0 | 112.1 | V139 I140 R145 Q146 I147 | V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 WeakPolarHBondContact O-CB 3.46Å; V139-L143 VanDerWaalsContact O-CG 3.28Å; V139-L143 WeakPolarHBondContact O-CG 3.33Å; V139-L143 PolarHBondContact O-N 3.07Å; I140-L143 PolarHBondContact O-N 2.94Å; L143-R145 PolarHBondContact O-N 3.37Å; L143-Q146 PolarHBondContact O-N 2.87Å; L143-I147 VanDerWaalsContact O-CG1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.48Å; L143-I147 PolarHBondContact O-N 2.85Å |
| 144 | K | 97.3 | Very high | 94.2 | Very high | 107 Ų | 107 | 102.9 Ų | 102.9 | 47% | 0.465 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 173 | -73.8 | 174 | -168.5 | 164.3 | 0 | 111.6 | I140 E141 Q146 I147 V148 | I140-K144 HydrophobicContact CG2-CD 4.48Å; I140-K144 WeakPolarHBondContact O-CG 3.34Å; I140-K144 PolarHBondContact O-N 2.88Å; E141-K144 PolarHBondContact O-N 3.48Å; E141-K144 WeakPolarHBondContact OE2-CD 3.29Å; E141-K144 IonicContact OE2-NZ 2.88Å; E141-K144 PolarHBondContact OE2-NZ 2.94Å; K144-Q146 VanDerWaalsContact C-N 3.29Å; K144-Q146 PolarHBondContact O-N 3.33Å; K144-I147 PolarHBondContact O-N 3.43Å; K144-V148 WeakPolarHBondContact O-CG2 3.49Å; K144-V148 PolarHBondContact O-N 3.41Å |
| 145 | R | 97.6 | Very high | 95 | Very high | 162 Ų | 162 | 100.8 Ų | 100.8 | 61% | 0.611 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 176.9 | -169.9 | -170.6 | -53.7 | -76.8 | -6.7 | 111.1 | E141 D142 L143 S149 | E141-R145 WeakPolarHBondContact O-CB 3.3Å; E141-R145 PolarHBondContact O-N 2.92Å; D142-R145 PolarHBondContact O-N 2.91Å; L143-R145 PolarHBondContact O-N 3.37Å; R145-S149 VanDerWaalsContact O-CB 3.22Å; R145-S149 WeakPolarHBondContact O-CB 3.45Å; R145-S149 PolarHBondContact O-N 2.85Å |
| 146 | Q | 98.1 | Very high | 95.8 | Very high | 133 Ų | 133 | 97.8 Ų | 97.8 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.5 | -43.3 | 175.6 | -172.5 | 175.9 | 55.7 | 0 | 0 | 112 | D142 L143 K144 S149 M150 | D142-Q146 WeakPolarHBondContact O-CB 3.32Å; D142-Q146 PolarHBondContact O-N 3.48Å; L143-Q146 PolarHBondContact O-N 2.87Å; K144-Q146 VanDerWaalsContact C-N 3.29Å; K144-Q146 PolarHBondContact O-N 3.33Å; Q146-S149 PolarHBondContact O-N 3.08Å; Q146-M150 VanDerWaalsContact O-CB 3.31Å; Q146-M150 WeakPolarHBondContact O-CB 3.43Å; Q146-M150 PolarHBondContact O-N 2.98Å |
| 147 | I | 97.7 | Very high | 96.4 | Very high | 108 Ų | 108 | 95 Ų | 95 | 55% | 0.554 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.3 | -52.9 | 175 | -69.8 | 163.2 | 0 | 0 | 0 | 110.3 | L143 K144 S149 M150 T151 | L143-I147 VanDerWaalsContact O-CG1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.48Å; L143-I147 PolarHBondContact O-N 2.85Å; K144-I147 PolarHBondContact O-N 3.43Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 2.9Å; I147-M150 PolarHBondContact O-N 2.93Å; I147-M150 VanDerWaalsContact O-N 3.15Å; I147-T151 PolarHBondContact O-N 2.68Å; I147-T151 PolarHBondContact O-OG1 2.72Å; I147-T151 VanDerWaalsContact O-OG1 3.11Å |
| 148 | V | 97.9 | Very high | 96.8 | Very high | 93 Ų | 93 | 92.2 Ų | 92.2 | 56% | 0.564 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59 | -45.8 | 179.2 | 173.1 | 0 | 0 | 0 | 0 | 111 | K144 M150 T151 T152 | K144-V148 WeakPolarHBondContact O-CG2 3.49Å; K144-V148 PolarHBondContact O-N 3.41Å; V148-M150 VanDerWaalsContact C-N 3.34Å; V148-M150 PolarHBondContact O-N 3.47Å; V148-T151 PolarHBondContact O-N 2.7Å; V148-T152 WeakPolarHBondContact O-CB 3.41Å; V148-T152 PolarHBondContact O-N 2.9Å; V148-T152 PolarHBondContact O-OG1 3.31Å |
| 149 | S | 98.1 | Very high | 97.1 | Very high | 77 Ų | 77 | 94.6 Ų | 94.6 | 54% | 0.538 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 175.9 | -174 | 0 | 0 | 0 | 0 | 112.2 | R145 Q146 I147 T152 C153 | R145-S149 VanDerWaalsContact O-CB 3.22Å; R145-S149 WeakPolarHBondContact O-CB 3.45Å; R145-S149 PolarHBondContact O-N 2.85Å; Q146-S149 PolarHBondContact O-N 3.08Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 2.9Å; S149-T152 PolarHBondContact O-N 2.78Å; S149-C153 VanDerWaalsContact O-CB 3.26Å; S149-C153 WeakPolarHBondContact O-CB 3.44Å; S149-C153 PolarHBondContact O-N 2.9Å |
| 150 | M | 97.5 | Very high | 97.3 | Very high | 128 Ų | 128 | 96.7 Ų | 96.7 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.4 | -39 | 179.1 | -165.9 | 65.5 | -176.1 | 0 | 0 | 112 | Q146 I147 V148 C153 N154 | Q146-M150 VanDerWaalsContact O-CB 3.31Å; Q146-M150 WeakPolarHBondContact O-CB 3.43Å; Q146-M150 PolarHBondContact O-N 2.98Å; I147-M150 PolarHBondContact O-N 2.93Å; I147-M150 VanDerWaalsContact O-N 3.15Å; V148-M150 VanDerWaalsContact C-N 3.34Å; V148-M150 PolarHBondContact O-N 3.47Å; M150-C153 PolarHBondContact O-N 3.27Å; M150-N154 WeakPolarHBondContact O-CB 3.38Å; M150-N154 PolarHBondContact O-N 2.94Å |
| 151 | T | 98.1 | Very high | 97.3 | Very high | 90 Ų | 90 | 98 Ų | 98 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 173.4 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | I147 V148 N154 A155 | I147-T151 PolarHBondContact O-N 2.68Å; I147-T151 PolarHBondContact O-OG1 2.72Å; I147-T151 VanDerWaalsContact O-OG1 3.11Å; V148-T151 PolarHBondContact O-N 2.7Å; T151-N154 PolarHBondContact O-N 3.17Å; T151-A155 PolarHBondContact O-N 3.34Å |
| 152 | T | 98.1 | Very high | 97.4 | Very high | 77 Ų | 77 | 96.5 Ų | 96.5 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | V148 S149 N156 | V148-T152 WeakPolarHBondContact O-CB 3.41Å; V148-T152 PolarHBondContact O-N 2.9Å; V148-T152 PolarHBondContact O-OG1 3.31Å; S149-T152 PolarHBondContact O-N 2.78Å; T152-N156 PolarHBondContact O-N 3.18Å; T152-N156 PolarHBondContact O-ND2 3.39Å |
| 153 | C | 97.9 | Very high | 97.3 | Very high | 60 Ų | 60 | 97 Ų | 97 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 173.1 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | S149 M150 A155 N156 L157 | S149-C153 VanDerWaalsContact O-CB 3.26Å; S149-C153 WeakPolarHBondContact O-CB 3.44Å; S149-C153 PolarHBondContact O-N 2.9Å; M150-C153 PolarHBondContact O-N 3.27Å; C153-A155 PolarHBondContact O-N 2.93Å; C153-N156 WeakPolarHBondContact O-CB 3.4Å; C153-N156 PolarHBondContact O-N 3.48Å; C153-L157 WeakPolarHBondContact O-CG 3.27Å; C153-L157 PolarHBondContact O-N 3.48Å |
| 154 | N | 97.6 | Very high | 97.2 | Very high | 89 Ų | 89 | 95.5 Ų | 95.5 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 177.1 | -169 | 20.9 | 0 | 0 | 0 | 111.7 | M150 T151 N156 L157 I158 | M150-N154 WeakPolarHBondContact O-CB 3.38Å; M150-N154 PolarHBondContact O-N 2.94Å; T151-N154 PolarHBondContact O-N 3.17Å; N154-N156 VanDerWaalsContact C-N 3.33Å; N154-N156 PolarHBondContact O-N 2.9Å; N154-L157 PolarHBondContact O-N 2.91Å; N154-L157 VanDerWaalsContact O-N 3.16Å; N154-I158 WeakPolarHBondContact O-CG1 3.46Å; N154-I158 PolarHBondContact O-N 3.48Å |
| 155 | A | 97.4 | Very high | 97 | Very high | 47 Ų | 47 | 96.8 Ų | 96.8 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T151 C153 I158 L159 | T151-A155 PolarHBondContact O-N 3.34Å; C153-A155 PolarHBondContact O-N 2.93Å; A155-I158 PolarHBondContact O-N 2.95Å; A155-L159 WeakPolarHBondContact O-CG 3.45Å; A155-L159 PolarHBondContact O-N 3.1Å |
| 156 | N | 97.9 | Very high | 96.9 | Very high | 82 Ų | 82 | 94.4 Ų | 94.4 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 174.1 | -84.9 | -82.6 | 0 | 0 | 0 | 112.8 | T152 C153 N154 L159 Q160 | T152-N156 PolarHBondContact O-N 3.18Å; T152-N156 PolarHBondContact O-ND2 3.39Å; C153-N156 WeakPolarHBondContact O-CB 3.4Å; C153-N156 PolarHBondContact O-N 3.48Å; N154-N156 VanDerWaalsContact C-N 3.33Å; N154-N156 PolarHBondContact O-N 2.9Å; N156-L159 PolarHBondContact O-N 2.79Å; N156-Q160 WeakPolarHBondContact O-CG 3.46Å; N156-Q160 PolarHBondContact O-N 3.06Å |
| 157 | L | 97.5 | Very high | 96.6 | Very high | 96 Ų | 96 | 90.7 Ų | 90.7 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 177.2 | -74.3 | 171.3 | 0 | 0 | 0 | 112.2 | C153 N154 Q160 N161 | C153-L157 WeakPolarHBondContact O-CG 3.27Å; C153-L157 PolarHBondContact O-N 3.48Å; N154-L157 PolarHBondContact O-N 2.91Å; N154-L157 VanDerWaalsContact O-N 3.16Å; L157-Q160 PolarHBondContact O-N 2.96Å; L157-N161 WeakPolarHBondContact O-CB 3.49Å; L157-N161 PolarHBondContact O-N 2.89Å |
| 158 | I | 96.5 | Very high | 96.3 | Very high | 87 Ų | 87 | 88.2 Ų | 88.2 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 173.5 | -67.6 | 164.2 | 0 | 0 | 0 | 110 | N154 A155 Q160 N161 D162 | N154-I158 WeakPolarHBondContact O-CG1 3.46Å; N154-I158 PolarHBondContact O-N 3.48Å; A155-I158 PolarHBondContact O-N 2.95Å; I158-Q160 VanDerWaalsContact C-N 3.32Å; I158-Q160 PolarHBondContact O-N 3.07Å; I158-N161 WeakPolarHBondContact O-CB 3.28Å; I158-N161 PolarHBondContact O-N 3.31Å; I158-D162 PolarHBondContact O-N 3.47Å |
| 159 | L | 97.5 | Very high | 96 | Very high | 115 Ų | 115 | 87.3 Ų | 87.3 | 60% | 0.602 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.6 | -38.4 | 177.2 | -69.4 | 172.6 | 0 | 0 | 0 | 112.9 | A155 N156 N163 | A155-L159 WeakPolarHBondContact O-CG 3.45Å; A155-L159 PolarHBondContact O-N 3.1Å; N156-L159 PolarHBondContact O-N 2.79Å; L159-N163 VanDerWaalsContact O-CB 3.25Å; L159-N163 WeakPolarHBondContact O-CB 3.3Å; L159-N163 PolarHBondContact O-N 2.87Å |
| 160 | Q | 96.6 | Very high | 95.9 | Very high | 123 Ų | 123 | 87 Ų | 87 | 58% | 0.575 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.6 | -37.1 | 173.8 | -73.3 | 176.7 | 22.1 | 0 | 0 | 112 | N156 L157 I158 A164 | N156-Q160 WeakPolarHBondContact O-CG 3.46Å; N156-Q160 PolarHBondContact O-N 3.06Å; L157-Q160 PolarHBondContact O-N 2.96Å; I158-Q160 VanDerWaalsContact C-N 3.32Å; I158-Q160 PolarHBondContact O-N 3.07Å; Q160-A164 VanDerWaalsContact O-CB 3.31Å; Q160-A164 WeakPolarHBondContact O-CB 3.49Å; Q160-A164 PolarHBondContact O-N 3.2Å |
| 161 | N | 95.3 | Very high | 95.8 | Very high | 109 Ų | 109 | 87.3 Ų | 87.3 | 58% | 0.583 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.2 | -46.8 | 176 | -170.7 | -99.2 | 0 | 0 | 0 | 111.7 | L157 I158 N163 A164 R165 | L157-N161 WeakPolarHBondContact O-CB 3.49Å; L157-N161 PolarHBondContact O-N 2.89Å; I158-N161 WeakPolarHBondContact O-CB 3.28Å; I158-N161 PolarHBondContact O-N 3.31Å; N161-N163 PolarHBondContact O-N 2.85Å; N161-A164 PolarHBondContact O-N 2.96Å; N161-R165 WeakPolarHBondContact O-CB 3.24Å; N161-R165 PolarHBondContact O-N 2.72Å |
| 162 | D | 97.6 | Very high | 95.6 | Very high | 59 Ų | 59 | 88.6 Ų | 88.6 | 32% | 0.316 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.7 | -77.9 | -40.8 | 0 | 0 | 0 | 111.5 | I158 R165 L166 | I158-D162 PolarHBondContact O-N 3.47Å; D162-R165 PolarHBondContact O-N 3.49Å; D162-R165 IonicContact OD1-CZ 3.71Å; D162-R165 IonicContact OD1-NH1 2.85Å; D162-R165 PolarHBondContact OD1-NH1 2.93Å; D162-L166 WeakPolarHBondContact O-CB 3.32Å; D162-L166 VanDerWaalsContact O-CG 3.3Å; D162-L166 WeakPolarHBondContact O-CG 3.38Å; D162-L166 PolarHBondContact O-N 2.96Å |
| 163 | N | 94.5 | Very high | 95.2 | Very high | 106 Ų | 106 | 91.3 Ų | 91.3 | 57% | 0.567 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 175.4 | -175.7 | -99.7 | 0 | 0 | 0 | 112.4 | L159 N161 R165 T167 | L159-N163 VanDerWaalsContact O-CB 3.25Å; L159-N163 WeakPolarHBondContact O-CB 3.3Å; L159-N163 PolarHBondContact O-N 2.87Å; N161-N163 PolarHBondContact O-N 2.85Å; N163-R165 VanDerWaalsContact C-N 3.35Å; N163-T167 WeakPolarHBondContact O-CB 3.21Å; N163-T167 PolarHBondContact O-N 2.87Å; N163-T167 PolarHBondContact O-OG1 3.5Å |
| 164 | A | 94.9 | Very high | 95.1 | Very high | 58 Ų | 58 | 93.9 Ų | 93.9 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q160 N161 T167 A168 | Q160-A164 VanDerWaalsContact O-CB 3.31Å; Q160-A164 WeakPolarHBondContact O-CB 3.49Å; Q160-A164 PolarHBondContact O-N 3.2Å; N161-A164 PolarHBondContact O-N 2.96Å; A164-T167 PolarHBondContact O-N 3.48Å; A164-A168 WeakPolarHBondContact O-CB 3.32Å; A164-A168 PolarHBondContact O-N 3.29Å |
| 165 | R | 93.2 | Very high | 94.9 | Very high | 134 Ų | 134 | 96.8 Ų | 96.8 | 51% | 0.506 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -49.7 | 176.6 | -162.7 | 179.7 | 88.3 | -130.2 | 3.5 | 111.7 | N161 D162 N163 T167 A168 D169 | N161-R165 WeakPolarHBondContact O-CB 3.24Å; N161-R165 PolarHBondContact O-N 2.72Å; D162-R165 PolarHBondContact O-N 3.49Å; D162-R165 IonicContact OD1-CZ 3.71Å; D162-R165 IonicContact OD1-NH1 2.85Å; D162-R165 PolarHBondContact OD1-NH1 2.93Å; N163-R165 VanDerWaalsContact C-N 3.35Å; R165-T167 VanDerWaalsContact C-N 3.26Å; R165-T167 PolarHBondContact O-N 3.23Å; R165-A168 WeakPolarHBondContact O-CB 3.17Å; R165-A168 PolarHBondContact O-N 2.92Å; R165-A168 VanDerWaalsContact O-N 3.1Å; R165-D169 PolarHBondContact O-N 3.18Å |
| 166 | L | 93.9 | Very high | 94.7 | Very high | 111 Ų | 111 | 99.1 Ų | 99.1 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.9 | -37.8 | 175.8 | -70.8 | 171.4 | 0 | 0 | 0 | 112.1 | D162 D169 D170 | D162-L166 WeakPolarHBondContact O-CB 3.32Å; D162-L166 VanDerWaalsContact O-CG 3.3Å; D162-L166 WeakPolarHBondContact O-CG 3.38Å; D162-L166 PolarHBondContact O-N 2.96Å; L166-D169 PolarHBondContact O-N 2.67Å; L166-D170 WeakPolarHBondContact O-CB 3.37Å; L166-D170 PolarHBondContact O-N 2.94Å |
| 167 | T | 92.1 | Very high | 94.3 | Very high | 55 Ų | 55 | 100 Ų | 100 | 34% | 0.337 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 175.6 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | N163 A164 R165 F171 | N163-T167 WeakPolarHBondContact O-CB 3.21Å; N163-T167 PolarHBondContact O-N 2.87Å; N163-T167 PolarHBondContact O-OG1 3.5Å; A164-T167 PolarHBondContact O-N 3.48Å; R165-T167 VanDerWaalsContact C-N 3.26Å; R165-T167 PolarHBondContact O-N 3.23Å; T167-F171 HydrophobicContact CG2-CD2 3.92Å; T167-F171 HydrophobicContact CG2-CE2 3.53Å; T167-F171 HydrophobicContact CG2-CZ 4.35Å; T167-F171 WeakPolarHBondContact O-CD2 3.49Å; T167-F171 PolarHBondContact O-N 3.47Å |
| 168 | A | 91.9 | Very high | 94.1 | Very high | 56 Ų | 56 | 100.6 Ų | 100.6 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | A164 R165 F171 K172 | A164-A168 WeakPolarHBondContact O-CB 3.32Å; A164-A168 PolarHBondContact O-N 3.29Å; R165-A168 WeakPolarHBondContact O-CB 3.17Å; R165-A168 PolarHBondContact O-N 2.92Å; R165-A168 VanDerWaalsContact O-N 3.1Å; A168-F171 PolarHBondContact O-N 3.49Å; A168-K172 WeakPolarHBondContact O-CB 3.29Å; A168-K172 PolarHBondContact O-N 3.06Å |
| 169 | D | 92.4 | Very high | 94 | Very high | 75 Ų | 75 | 99.7 Ų | 99.7 | 40% | 0.401 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 176.4 | -70.1 | -31.9 | 0 | 0 | 0 | 111.7 | R165 L166 K172 M173 | R165-D169 PolarHBondContact O-N 3.18Å; L166-D169 PolarHBondContact O-N 2.67Å; D169-K172 PolarHBondContact O-N 2.86Å; D169-M173 WeakPolarHBondContact O-CG 3.47Å; D169-M173 PolarHBondContact O-N 3.47Å |
| 170 | D | 96 | Very high | 93.6 | Very high | 70 Ų | 70 | 96.7 Ų | 96.7 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 172.5 | 172.6 | 59.6 | 0 | 0 | 0 | 112.2 | L166 K172 M173 K174 | L166-D170 WeakPolarHBondContact O-CB 3.37Å; L166-D170 PolarHBondContact O-N 2.94Å; D170-K172 VanDerWaalsContact C-N 3.33Å; D170-K172 PolarHBondContact O-N 3.4Å; D170-M173 PolarHBondContact O-N 2.92Å; D170-K174 WeakPolarHBondContact O-CB 3.48Å; D170-K174 WeakPolarHBondContact O-CG 3.39Å; D170-K174 PolarHBondContact O-N 3.41Å; D170-K174 WeakPolarHBondContact OD1-CE 3.25Å; D170-K174 IonicContact OD1-NZ 3.72Å; D170-K174 PolarHBondContact OD1-NZ 2.94Å; D170-K174 VanDerWaalsContact OD1-NZ 3.08Å; D170-K174 WeakPolarHBondContact OD2-CE 3.32Å; D170-K174 IonicContact OD2-NZ 2.68Å; D170-K174 PolarHBondContact OD2-NZ 3.34Å |
| 171 | F | 94.9 | Very high | 93.4 | Very high | 135 Ų | 135 | 95.1 Ų | 95.1 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -36.6 | 173.3 | -74 | -48.4 | 0 | 0 | 0 | 112.8 | T167 A168 K174 Y175 | T167-F171 HydrophobicContact CG2-CD2 3.92Å; T167-F171 HydrophobicContact CG2-CE2 3.53Å; T167-F171 HydrophobicContact CG2-CZ 4.35Å; T167-F171 WeakPolarHBondContact O-CD2 3.49Å; T167-F171 PolarHBondContact O-N 3.47Å; A168-F171 PolarHBondContact O-N 3.49Å; F171-K174 PolarHBondContact O-N 2.83Å; F171-Y175 WeakPolarHBondContact O-CB 3.33Å; F171-Y175 PolarHBondContact O-N 3.26Å |
| 172 | K | 93.8 | Very high | 93.3 | Very high | 117 Ų | 117 | 95.5 Ų | 95.5 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 175 | -176.3 | -171 | 167.1 | -165.7 | 0 | 111.2 | A168 D169 D170 K174 Y175 E176 | A168-K172 WeakPolarHBondContact O-CB 3.29Å; A168-K172 PolarHBondContact O-N 3.06Å; D169-K172 PolarHBondContact O-N 2.86Å; D170-K172 VanDerWaalsContact C-N 3.33Å; D170-K172 PolarHBondContact O-N 3.4Å; K172-K174 VanDerWaalsContact C-N 3.32Å; K172-K174 PolarHBondContact O-N 3.29Å; K172-Y175 PolarHBondContact O-N 2.92Å; K172-E176 WeakPolarHBondContact CE-OE1 3.43Å; K172-E176 IonicContact NZ-OE1 2.6Å; K172-E176 WeakPolarHBondContact O-CG 3.35Å; K172-E176 PolarHBondContact O-N 2.89Å |
| 173 | M | 89.7 | Confident | 93.1 | Very high | 134 Ų | 134 | 98.1 Ų | 98.1 | 66% | 0.66 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58 | -43 | 175.6 | -76.1 | -103.9 | -70.6 | 0 | 0 | 112.1 | D169 D170 E176 N177 | D169-M173 WeakPolarHBondContact O-CG 3.47Å; D169-M173 PolarHBondContact O-N 3.47Å; D170-M173 PolarHBondContact O-N 2.92Å; M173-E176 PolarHBondContact O-N 3.33Å; M173-N177 WeakPolarHBondContact O-CB 3.4Å; M173-N177 PolarHBondContact O-N 2.9Å |
| 174 | K | 96.1 | Very high | 93 | Very high | 113 Ų | 113 | 96.2 Ų | 96.2 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.6 | -75.5 | 167 | 178.9 | 164.2 | 0 | 112.2 | D170 F171 K172 E178 | D170-K174 WeakPolarHBondContact O-CB 3.48Å; D170-K174 WeakPolarHBondContact O-CG 3.39Å; D170-K174 PolarHBondContact O-N 3.41Å; D170-K174 WeakPolarHBondContact OD1-CE 3.25Å; D170-K174 IonicContact OD1-NZ 3.72Å; D170-K174 PolarHBondContact OD1-NZ 2.94Å; D170-K174 VanDerWaalsContact OD1-NZ 3.08Å; D170-K174 WeakPolarHBondContact OD2-CE 3.32Å; D170-K174 IonicContact OD2-NZ 2.68Å; D170-K174 PolarHBondContact OD2-NZ 3.34Å; F171-K174 PolarHBondContact O-N 2.83Å; K172-K174 VanDerWaalsContact C-N 3.32Å; K172-K174 PolarHBondContact O-N 3.29Å; K174-E178 WeakPolarHBondContact O-CB 3.44Å; K174-E178 PolarHBondContact O-N 3.16Å |
| 175 | Y | 93.9 | Very high | 93.1 | Very high | 151 Ų | 151 | 97.6 Ų | 97.6 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.2 | -44.1 | 175.9 | 172.5 | -98.4 | 0 | 0 | 0 | 112.3 | F171 K172 N177 E178 L179 | F171-Y175 WeakPolarHBondContact O-CB 3.33Å; F171-Y175 PolarHBondContact O-N 3.26Å; K172-Y175 PolarHBondContact O-N 2.92Å; Y175-N177 PolarHBondContact O-N 2.92Å; Y175-E178 PolarHBondContact O-N 2.86Å; Y175-L179 HydrophobicContact CE1-CD2 4.17Å; Y175-L179 VanDerWaalsContact O-CB 3.23Å; Y175-L179 WeakPolarHBondContact O-CB 3.48Å; Y175-L179 PolarHBondContact O-N 3.41Å |
| 176 | E | 91.4 | Very high | 93.3 | Very high | 96 Ų | 96 | 96.6 Ų | 96.6 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 178.1 | -72.9 | 174.8 | 169.1 | 0 | 0 | 111.7 | K172 M173 A180 | K172-E176 WeakPolarHBondContact CE-OE1 3.43Å; K172-E176 IonicContact NZ-OE1 2.6Å; K172-E176 WeakPolarHBondContact O-CG 3.35Å; K172-E176 PolarHBondContact O-N 2.89Å; M173-E176 PolarHBondContact O-N 3.33Å; E176-A180 PolarHBondContact O-N 3.39Å |
| 177 | N | 90.9 | Very high | 93.3 | Very high | 99 Ų | 99 | 94.1 Ų | 94.1 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.5 | -45.7 | 174 | -179.1 | 68.4 | 0 | 0 | 0 | 112.6 | M173 Y175 L179 A180 L181 | M173-N177 WeakPolarHBondContact O-CB 3.4Å; M173-N177 PolarHBondContact O-N 2.9Å; Y175-N177 PolarHBondContact O-N 2.92Å; N177-L179 VanDerWaalsContact C-N 3.34Å; N177-L179 PolarHBondContact O-N 3.31Å; N177-A180 PolarHBondContact O-N 2.69Å; N177-L181 WeakPolarHBondContact O-CG 3.48Å; N177-L181 PolarHBondContact O-N 3.48Å |
| 178 | E | 93 | Very high | 93.5 | Very high | 110 Ų | 110 | 96.2 Ų | 96.2 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 177.1 | -170.2 | 63.7 | -157.2 | 0 | 0 | 111.1 | K174 Y175 A180 L181 H182 | K174-E178 WeakPolarHBondContact O-CB 3.44Å; K174-E178 PolarHBondContact O-N 3.16Å; Y175-E178 PolarHBondContact O-N 2.86Å; E178-A180 PolarHBondContact O-N 3.21Å; E178-L181 PolarHBondContact O-N 3Å; E178-H182 WeakPolarHBondContact O-CB 3.21Å; E178-H182 PolarHBondContact O-N 3.44Å |
| 179 | L | 93.6 | Very high | 93.8 | Very high | 67 Ų | 67 | 96 Ų | 96 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 175.6 | 178.8 | 62.4 | 0 | 0 | 0 | 111.9 | Y175 N177 H182 Q183 | Y175-L179 HydrophobicContact CE1-CD2 4.17Å; Y175-L179 VanDerWaalsContact O-CB 3.23Å; Y175-L179 WeakPolarHBondContact O-CB 3.48Å; Y175-L179 PolarHBondContact O-N 3.41Å; N177-L179 VanDerWaalsContact C-N 3.34Å; N177-L179 PolarHBondContact O-N 3.31Å; L179-H182 PolarHBondContact O-N 3.28Å; L179-Q183 HydrophobicContact CD1-CG 4.44Å; L179-Q183 WeakPolarHBondContact O-CB 3.46Å; L179-Q183 VanDerWaalsContact O-CG 3.32Å; L179-Q183 WeakPolarHBondContact O-CG 3.41Å; L179-Q183 PolarHBondContact O-N 2.91Å |
| 180 | A | 89.6 | Confident | 94 | Very high | 53 Ų | 53 | 95.7 Ų | 95.7 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E176 N177 E178 Q183 S184 | E176-A180 PolarHBondContact O-N 3.39Å; N177-A180 PolarHBondContact O-N 2.69Å; E178-A180 PolarHBondContact O-N 3.21Å; A180-Q183 PolarHBondContact O-N 3Å; A180-S184 PolarHBondContact O-N 3.21Å |
| 181 | L | 92.4 | Very high | 94.1 | Very high | 89 Ų | 89 | 94 Ų | 94 | 47% | 0.466 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 172.7 | -69.5 | 171.4 | 0 | 0 | 0 | 111.3 | N177 E178 Q183 S184 V185 | N177-L181 WeakPolarHBondContact O-CG 3.48Å; N177-L181 PolarHBondContact O-N 3.48Å; E178-L181 PolarHBondContact O-N 3Å; L181-Q183 VanDerWaalsContact C-N 3.35Å; L181-Q183 PolarHBondContact O-N 2.87Å; L181-S184 WeakPolarHBondContact O-CB 3.4Å; L181-S184 PolarHBondContact O-N 3.09Å; L181-V185 WeakPolarHBondContact O-CG2 3.42Å; L181-V185 PolarHBondContact O-N 3.02Å |
| 182 | H | 94.4 | Very high | 94.2 | Very high | 117 Ų | 117 | 93.5 Ų | 93.5 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 179 | -133.2 | -71.4 | 0 | 0 | 0 | 112 | E178 L179 V185 E186 | E178-H182 WeakPolarHBondContact O-CB 3.21Å; E178-H182 PolarHBondContact O-N 3.44Å; L179-H182 PolarHBondContact O-N 3.28Å; H182-V185 PolarHBondContact O-N 3.11Å; H182-E186 WeakPolarHBondContact O-CB 3.39Å; H182-E186 PolarHBondContact O-N 3.23Å |
| 183 | Q | 92.7 | Very high | 94.4 | Very high | 115 Ų | 115 | 94.1 Ų | 94.1 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -39 | 174.6 | -74.5 | 174.5 | -7.5 | 0 | 0 | 112.3 | L179 A180 L181 E186 A187 | L179-Q183 HydrophobicContact CD1-CG 4.44Å; L179-Q183 WeakPolarHBondContact O-CB 3.46Å; L179-Q183 VanDerWaalsContact O-CG 3.32Å; L179-Q183 WeakPolarHBondContact O-CG 3.41Å; L179-Q183 PolarHBondContact O-N 2.91Å; A180-Q183 PolarHBondContact O-N 3Å; L181-Q183 VanDerWaalsContact C-N 3.35Å; L181-Q183 PolarHBondContact O-N 2.87Å; Q183-E186 PolarHBondContact O-N 3.41Å; Q183-A187 WeakPolarHBondContact O-CB 3.27Å; Q183-A187 PolarHBondContact O-N 3.45Å |
| 184 | S | 92.8 | Very high | 94.8 | Very high | 65 Ų | 65 | 96.3 Ų | 96.3 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 174 | -167.4 | 0 | 0 | 0 | 0 | 111.4 | A180 L181 E186 A187 D188 | A180-S184 PolarHBondContact O-N 3.21Å; L181-S184 WeakPolarHBondContact O-CB 3.4Å; L181-S184 PolarHBondContact O-N 3.09Å; S184-E186 VanDerWaalsContact C-N 3.31Å; S184-E186 PolarHBondContact O-N 2.94Å; S184-A187 WeakPolarHBondContact O-CB 3.47Å; S184-A187 PolarHBondContact O-N 3.45Å; S184-D188 PolarHBondContact O-N 2.9Å |
| 185 | V | 96.6 | Very high | 94.9 | Very high | 87 Ų | 87 | 94.4 Ų | 94.4 | 53% | 0.527 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | L181 H182 T189 | L181-V185 WeakPolarHBondContact O-CG2 3.42Å; L181-V185 PolarHBondContact O-N 3.02Å; H182-V185 PolarHBondContact O-N 3.11Å; V185-T189 VanDerWaalsContact O-CB 3.31Å; V185-T189 WeakPolarHBondContact O-CB 3.47Å; V185-T189 PolarHBondContact O-N 3.12Å; V185-T189 PolarHBondContact O-OG1 2.89Å |
| 186 | E | 96.3 | Very high | 95.1 | Very high | 113 Ų | 113 | 92.6 Ų | 92.6 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 174 | -177.4 | 168.8 | -165.5 | 0 | 0 | 111.7 | H182 Q183 S184 T189 N190 | H182-E186 WeakPolarHBondContact O-CB 3.39Å; H182-E186 PolarHBondContact O-N 3.23Å; Q183-E186 PolarHBondContact O-N 3.41Å; S184-E186 VanDerWaalsContact C-N 3.31Å; S184-E186 PolarHBondContact O-N 2.94Å; E186-T189 PolarHBondContact O-N 2.93Å; E186-N190 WeakPolarHBondContact O-CB 3.45Å; E186-N190 VanDerWaalsContact O-CG 3.26Å; E186-N190 PolarHBondContact O-N 3.34Å; E186-N190 PolarHBondContact O-ND2 3.44Å; E186-N190 VanDerWaalsContact O-ND2 3.07Å |
| 187 | A | 94.4 | Very high | 95.5 | Very high | 59 Ų | 59 | 94.1 Ų | 94.1 | 49% | 0.488 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q183 S184 T189 N190 G191 | Q183-A187 WeakPolarHBondContact O-CB 3.27Å; Q183-A187 PolarHBondContact O-N 3.45Å; S184-A187 WeakPolarHBondContact O-CB 3.47Å; S184-A187 PolarHBondContact O-N 3.45Å; A187-T189 PolarHBondContact O-N 2.9Å; A187-N190 PolarHBondContact O-N 2.83Å; A187-G191 PolarHBondContact O-N 2.95Å |
| 188 | D | 97.1 | Very high | 95.8 | Very high | 100 Ų | 100 | 95.9 Ų | 95.9 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 175.4 | -69.7 | -28 | 0 | 0 | 0 | 111.5 | S184 N190 G191 L192 | S184-D188 PolarHBondContact O-N 2.9Å; D188-N190 PolarHBondContact O-N 2.95Å; D188-G191 PolarHBondContact O-N 2.92Å; D188-L192 WeakPolarHBondContact O-CG 3.42Å; D188-L192 PolarHBondContact O-N 3.27Å |
| 189 | T | 97.9 | Very high | 96.1 | Very high | 52 Ų | 52 | 95.6 Ų | 95.6 | 32% | 0.319 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 177.4 | -57 | 0 | 0 | 0 | 0 | 111.5 | V185 E186 A187 L192 R193 | V185-T189 VanDerWaalsContact O-CB 3.31Å; V185-T189 WeakPolarHBondContact O-CB 3.47Å; V185-T189 PolarHBondContact O-N 3.12Å; V185-T189 PolarHBondContact O-OG1 2.89Å; E186-T189 PolarHBondContact O-N 2.93Å; A187-T189 PolarHBondContact O-N 2.9Å; T189-L192 PolarHBondContact O-N 2.99Å; T189-R193 WeakPolarHBondContact O-CG 3.41Å; T189-R193 PolarHBondContact O-N 3.34Å |
| 190 | N | 96.3 | Very high | 96.3 | Very high | 68 Ų | 68 | 96.1 Ų | 96.1 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 174.1 | -74 | -37.1 | 0 | 0 | 0 | 111.8 | E186 A187 D188 R193 R194 | E186-N190 WeakPolarHBondContact O-CB 3.45Å; E186-N190 VanDerWaalsContact O-CG 3.26Å; E186-N190 PolarHBondContact O-N 3.34Å; E186-N190 PolarHBondContact O-ND2 3.44Å; E186-N190 VanDerWaalsContact O-ND2 3.07Å; A187-N190 PolarHBondContact O-N 2.83Å; D188-N190 PolarHBondContact O-N 2.95Å; N190-R193 PolarHBondContact O-N 2.88Å; N190-R193 PolarHBondContact OD1-NH1 3.41Å; N190-R194 PolarHBondContact O-N 3.43Å; N190-R194 VanDerWaalsContact O-N 3.09Å |
| 191 | G | 97.6 | Very high | 96.7 | Very high | 34 Ų | 34 | 98.7 Ų | 98.7 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A187 D188 R193 R194 V195 | A187-G191 PolarHBondContact O-N 2.95Å; D188-G191 PolarHBondContact O-N 2.92Å; G191-R193 VanDerWaalsContact C-N 3.35Å; G191-R193 PolarHBondContact O-N 3.46Å; G191-R194 WeakPolarHBondContact O-CB 3.34Å; G191-R194 PolarHBondContact O-N 2.69Å; G191-V195 WeakPolarHBondContact O-CG2 3.4Å; G191-V195 PolarHBondContact O-N 2.88Å |
| 192 | L | 97.6 | Very high | 97 | Very high | 124 Ų | 124 | 97.2 Ų | 97.2 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.3 | -37 | 176.9 | -71.2 | 172.9 | 0 | 0 | 0 | 112.7 | D188 T189 V195 L196 | D188-L192 WeakPolarHBondContact O-CG 3.42Å; D188-L192 PolarHBondContact O-N 3.27Å; T189-L192 PolarHBondContact O-N 2.99Å; L192-V195 PolarHBondContact O-N 3.48Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 PolarHBondContact O-N 3.4Å |
| 193 | R | 97.9 | Very high | 97.2 | Very high | 131 Ų | 131 | 95.7 Ų | 95.7 | 49% | 0.494 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 172.4 | -71.7 | 177.9 | -162.3 | 136.7 | 1.8 | 111.9 | T189 N190 G191 V195 L196 E197 | T189-R193 WeakPolarHBondContact O-CG 3.41Å; T189-R193 PolarHBondContact O-N 3.34Å; N190-R193 PolarHBondContact O-N 2.88Å; N190-R193 PolarHBondContact OD1-NH1 3.41Å; G191-R193 VanDerWaalsContact C-N 3.35Å; G191-R193 PolarHBondContact O-N 3.46Å; R193-V195 PolarHBondContact O-N 2.74Å; R193-L196 WeakPolarHBondContact O-CB 3.48Å; R193-L196 PolarHBondContact O-N 2.91Å; R193-E197 WeakPolarHBondContact O-CG 3.31Å; R193-E197 PolarHBondContact O-N 2.93Å |
| 194 | R | 98.1 | Very high | 97.5 | Very high | 180 Ų | 180 | 93.1 Ų | 93.1 | 68% | 0.679 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.2 | -42.6 | 174.8 | -78.3 | -177.1 | 53.2 | 122.2 | 9.2 | 112.8 | N190 G191 L196 E197 E198 | N190-R194 PolarHBondContact O-N 3.43Å; N190-R194 VanDerWaalsContact O-N 3.09Å; G191-R194 WeakPolarHBondContact O-CB 3.34Å; G191-R194 PolarHBondContact O-N 2.69Å; R194-L196 VanDerWaalsContact C-N 3.3Å; R194-L196 PolarHBondContact O-N 3.21Å; R194-E197 PolarHBondContact O-N 3.07Å; R194-E198 WeakPolarHBondContact O-CB 3.4Å; R194-E198 PolarHBondContact O-N 2.88Å |
| 195 | V | 98.6 | Very high | 97.7 | Very high | 73 Ų | 73 | 93.6 Ų | 93.6 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -37.3 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | G191 L192 R193 E198 L199 | G191-V195 WeakPolarHBondContact O-CG2 3.4Å; G191-V195 PolarHBondContact O-N 2.88Å; L192-V195 PolarHBondContact O-N 3.48Å; R193-V195 PolarHBondContact O-N 2.74Å; V195-E198 PolarHBondContact O-N 3Å; V195-L199 HydrophobicContact CG1-CD1 3.98Å; V195-L199 HydrophobicContact CG1-CG 4.42Å; V195-L199 WeakPolarHBondContact O-CB 3.39Å; V195-L199 VanDerWaalsContact O-CG 3.27Å; V195-L199 WeakPolarHBondContact O-CG 3.24Å; V195-L199 PolarHBondContact O-N 3.06Å |
| 196 | L | 98.4 | Very high | 97.8 | Very high | 113 Ų | 113 | 94.3 Ų | 94.3 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 173.4 | -176.1 | 70.2 | 0 | 0 | 0 | 112 | L192 R193 R194 L199 T200 | L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 PolarHBondContact O-N 3.4Å; R193-L196 WeakPolarHBondContact O-CB 3.48Å; R193-L196 PolarHBondContact O-N 2.91Å; R194-L196 VanDerWaalsContact C-N 3.3Å; R194-L196 PolarHBondContact O-N 3.21Å; L196-L199 PolarHBondContact O-N 3.29Å; L196-T200 WeakPolarHBondContact O-CB 3.27Å; L196-T200 PolarHBondContact O-N 2.95Å; L196-T200 PolarHBondContact O-OG1 3.46Å |
| 197 | E | 98.4 | Very high | 97.9 | Very high | 128 Ų | 128 | 94 Ų | 94 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -45.3 | 175.2 | -72.5 | 164.9 | -169.7 | 0 | 0 | 111.4 | R193 R194 T200 L201 | R193-E197 WeakPolarHBondContact O-CG 3.31Å; R193-E197 PolarHBondContact O-N 2.93Å; R194-E197 PolarHBondContact O-N 3.07Å; E197-T200 WeakPolarHBondContact O-CB 3.42Å; E197-T200 PolarHBondContact O-N 3.27Å; E197-L201 PolarHBondContact O-N 3.39Å |
| 198 | E | 98.4 | Very high | 98.1 | Very high | 135 Ų | 135 | 96.2 Ų | 96.2 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 176.9 | -174.3 | 175.6 | 175.7 | 0 | 0 | 112.4 | R194 V195 T200 L201 S202 | R194-E198 WeakPolarHBondContact O-CB 3.4Å; R194-E198 PolarHBondContact O-N 2.88Å; V195-E198 PolarHBondContact O-N 3Å; E198-T200 VanDerWaalsContact C-N 3.32Å; E198-T200 PolarHBondContact O-N 3.43Å; E198-L201 PolarHBondContact O-N 2.84Å; E198-S202 WeakPolarHBondContact O-CB 3.43Å; E198-S202 PolarHBondContact O-N 2.95Å |
| 199 | L | 98.4 | Very high | 98.1 | Very high | 105 Ų | 105 | 96.9 Ų | 96.9 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 173.5 | -74.3 | 170.7 | 0 | 0 | 0 | 112.2 | V195 L196 T203 | V195-L199 HydrophobicContact CG1-CD1 3.98Å; V195-L199 HydrophobicContact CG1-CG 4.42Å; V195-L199 WeakPolarHBondContact O-CB 3.39Å; V195-L199 VanDerWaalsContact O-CG 3.27Å; V195-L199 WeakPolarHBondContact O-CG 3.24Å; V195-L199 PolarHBondContact O-N 3.06Å; L196-L199 PolarHBondContact O-N 3.29Å; L199-T203 WeakPolarHBondContact O-CB 3.48Å; L199-T203 PolarHBondContact O-N 3.16Å; L199-T203 PolarHBondContact O-OG1 3Å |
| 200 | T | 98.5 | Very high | 98.1 | Very high | 78 Ų | 78 | 102.8 Ų | 102.8 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 110.4 | L196 E197 E198 T203 T204 | L196-T200 WeakPolarHBondContact O-CB 3.27Å; L196-T200 PolarHBondContact O-N 2.95Å; L196-T200 PolarHBondContact O-OG1 3.46Å; E197-T200 WeakPolarHBondContact O-CB 3.42Å; E197-T200 PolarHBondContact O-N 3.27Å; E198-T200 VanDerWaalsContact C-N 3.32Å; E198-T200 PolarHBondContact O-N 3.43Å; T200-T203 WeakPolarHBondContact O-CB 3.17Å; T200-T203 PolarHBondContact O-N 2.92Å; T200-T204 PolarHBondContact O-N 3.27Å; T200-T204 PolarHBondContact O-OG1 3.5Å |
| 201 | L | 98.4 | Very high | 98.2 | Very high | 106 Ų | 106 | 105.5 Ų | 105.5 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.1 | -48.9 | 175.1 | -174.5 | 72.2 | 0 | 0 | 0 | 111.4 | E197 E198 T203 T204 D205 | E197-L201 PolarHBondContact O-N 3.39Å; E198-L201 PolarHBondContact O-N 2.84Å; L201-T203 VanDerWaalsContact C-N 3.25Å; L201-T203 PolarHBondContact O-N 2.96Å; L201-T204 WeakPolarHBondContact CA-OG1 3.3Å; L201-T204 PolarHBondContact O-N 3.43Å; L201-T204 VanDerWaalsContact O-N 3.17Å; L201-T204 PolarHBondContact O-OG1 3.13Å; L201-D205 PolarHBondContact O-N 3.27Å |
| 202 | S | 98.3 | Very high | 98.3 | Very high | 59 Ų | 59 | 106.7 Ų | 106.7 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -33.7 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 112.5 | E198 L206 | E198-S202 WeakPolarHBondContact O-CB 3.43Å; E198-S202 PolarHBondContact O-N 2.95Å; S202-L206 WeakPolarHBondContact O-CB 3.43Å; S202-L206 VanDerWaalsContact O-CG 3.27Å; S202-L206 WeakPolarHBondContact O-CG 3.38Å; S202-L206 PolarHBondContact O-N 2.83Å; S202-L206 VanDerWaalsContact O-N 3.1Å |
| 203 | T | 98.5 | Very high | 98.3 | Very high | 84 Ų | 84 | 105.7 Ų | 105.7 | 52% | 0.515 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 175.2 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | L199 T200 L201 L206 E207 | L199-T203 WeakPolarHBondContact O-CB 3.48Å; L199-T203 PolarHBondContact O-N 3.16Å; L199-T203 PolarHBondContact O-OG1 3Å; T200-T203 WeakPolarHBondContact O-CB 3.17Å; T200-T203 PolarHBondContact O-N 2.92Å; L201-T203 VanDerWaalsContact C-N 3.25Å; L201-T203 PolarHBondContact O-N 2.96Å; T203-L206 PolarHBondContact O-N 3.06Å; T203-E207 WeakPolarHBondContact O-CB 3.35Å; T203-E207 PolarHBondContact O-N 3.3Å |
| 204 | T | 98.4 | Very high | 98.3 | Very high | 61 Ų | 61 | 102.9 Ų | 102.9 | 37% | 0.374 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 176.3 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | T200 L201 L206 E207 I208 | T200-T204 PolarHBondContact O-N 3.27Å; T200-T204 PolarHBondContact O-OG1 3.5Å; L201-T204 WeakPolarHBondContact CA-OG1 3.3Å; L201-T204 PolarHBondContact O-N 3.43Å; L201-T204 VanDerWaalsContact O-N 3.17Å; L201-T204 PolarHBondContact O-OG1 3.13Å; T204-L206 PolarHBondContact O-N 3.49Å; T204-E207 PolarHBondContact O-N 3.3Å; T204-I208 VanDerWaalsContact O-CG1 3.28Å; T204-I208 WeakPolarHBondContact O-CG1 3.46Å; T204-I208 PolarHBondContact O-N 3.45Å |
| 205 | D | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 98.4 Ų | 98.4 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 176.2 | -72.9 | -13 | 0 | 0 | 0 | 112 | L201 Q209 | L201-D205 PolarHBondContact O-N 3.27Å; D205-Q209 VanDerWaalsContact O-CG 3.29Å; D205-Q209 WeakPolarHBondContact O-CG 3.42Å; D205-Q209 PolarHBondContact O-N 3.45Å; D205-Q209 PolarHBondContact O-NE2 3.04Å |
| 206 | L | 98.2 | Very high | 98.2 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71 | -33.5 | 175.5 | -72.4 | 171.6 | 0 | 0 | 0 | 112.4 | S202 T203 T204 Q209 R210 | S202-L206 WeakPolarHBondContact O-CB 3.43Å; S202-L206 VanDerWaalsContact O-CG 3.27Å; S202-L206 WeakPolarHBondContact O-CG 3.38Å; S202-L206 PolarHBondContact O-N 2.83Å; S202-L206 VanDerWaalsContact O-N 3.1Å; T203-L206 PolarHBondContact O-N 3.06Å; T204-L206 PolarHBondContact O-N 3.49Å; L206-Q209 PolarHBondContact O-N 3.03Å; L206-R210 WeakPolarHBondContact O-CB 3.32Å; L206-R210 PolarHBondContact O-N 3.46Å |
| 207 | E | 98.2 | Very high | 98.1 | Very high | 108 Ų | 108 | 100.2 Ų | 100.2 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.7 | -41.1 | 176.1 | -169.4 | 142.6 | -128.6 | 0 | 0 | 111.5 | T203 T204 R210 E211 | T203-E207 WeakPolarHBondContact O-CB 3.35Å; T203-E207 PolarHBondContact O-N 3.3Å; T204-E207 PolarHBondContact O-N 3.3Å; E207-R210 WeakPolarHBondContact O-CB 3.49Å; E207-R210 PolarHBondContact O-N 3.07Å; E207-R210 IonicContact OE1-NH1 3.65Å; E207-E211 PolarHBondContact O-N 3.2Å |
| 208 | I | 98.1 | Very high | 98.1 | Very high | 105 Ų | 105 | 99.6 Ų | 99.6 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 171.3 | -67.9 | 163.5 | 0 | 0 | 0 | 111.1 | T204 R210 E211 A212 | T204-I208 VanDerWaalsContact O-CG1 3.28Å; T204-I208 WeakPolarHBondContact O-CG1 3.46Å; T204-I208 PolarHBondContact O-N 3.45Å; I208-R210 VanDerWaalsContact C-N 3.31Å; I208-R210 PolarHBondContact O-N 2.91Å; I208-E211 PolarHBondContact O-N 2.96Å; I208-A212 WeakPolarHBondContact O-CB 3.32Å; I208-A212 PolarHBondContact O-N 3.49Å |
| 209 | Q | 98.2 | Very high | 98 | Very high | 113 Ų | 113 | 100.9 Ų | 100.9 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 175.8 | -75.4 | 170.6 | 52.1 | 0 | 0 | 112.2 | D205 L206 L213 | D205-Q209 VanDerWaalsContact O-CG 3.29Å; D205-Q209 WeakPolarHBondContact O-CG 3.42Å; D205-Q209 PolarHBondContact O-N 3.45Å; D205-Q209 PolarHBondContact O-NE2 3.04Å; L206-Q209 PolarHBondContact O-N 3.03Å; Q209-L213 WeakPolarHBondContact O-CB 3.3Å; Q209-L213 WeakPolarHBondContact O-CG 3.48Å; Q209-L213 PolarHBondContact O-N 2.89Å |
| 210 | R | 98.1 | Very high | 97.9 | Very high | 176 Ų | 176 | 100.5 Ų | 100.5 | 66% | 0.664 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 175.8 | 176.5 | -171.8 | 168.3 | -141 | -6.5 | 111.9 | L206 E207 I208 S214 | L206-R210 WeakPolarHBondContact O-CB 3.32Å; L206-R210 PolarHBondContact O-N 3.46Å; E207-R210 WeakPolarHBondContact O-CB 3.49Å; E207-R210 PolarHBondContact O-N 3.07Å; E207-R210 IonicContact OE1-NH1 3.65Å; I208-R210 VanDerWaalsContact C-N 3.31Å; I208-R210 PolarHBondContact O-N 2.91Å; R210-S214 WeakPolarHBondContact O-CB 3.4Å; R210-S214 PolarHBondContact O-N 2.89Å |
| 211 | E | 98.1 | Very high | 97.8 | Very high | 126 Ų | 126 | 103.3 Ų | 103.3 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64 | -48.3 | 177 | -171.2 | 168 | -152.2 | 0 | 0 | 110.5 | E207 I208 L213 S214 D215 | E207-E211 PolarHBondContact O-N 3.2Å; I208-E211 PolarHBondContact O-N 2.96Å; E211-L213 PolarHBondContact O-N 3.38Å; E211-S214 WeakPolarHBondContact O-CA 3.26Å; E211-S214 WeakPolarHBondContact O-CB 3.47Å; E211-S214 PolarHBondContact O-N 3.43Å; E211-D215 PolarHBondContact O-N 3.33Å |
| 212 | A | 98.1 | Very high | 97.7 | Very high | 58 Ų | 58 | 104 Ų | 104 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I208 S214 D215 E216 | I208-A212 WeakPolarHBondContact O-CB 3.32Å; I208-A212 PolarHBondContact O-N 3.49Å; A212-S214 VanDerWaalsContact C-N 3.33Å; A212-D215 PolarHBondContact O-N 3.46Å; A212-E216 WeakPolarHBondContact O-CB 3.34Å; A212-E216 PolarHBondContact O-N 3.18Å |
| 213 | L | 97.8 | Very high | 97.6 | Very high | 104 Ų | 104 | 104 Ų | 104 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.7 | -31.4 | 174.6 | -74.7 | 168.4 | 0 | 0 | 0 | 112.8 | Q209 E211 L217 | Q209-L213 WeakPolarHBondContact O-CB 3.3Å; Q209-L213 WeakPolarHBondContact O-CG 3.48Å; Q209-L213 PolarHBondContact O-N 2.89Å; E211-L213 PolarHBondContact O-N 3.38Å; L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 3.49Å |
| 214 | S | 97.9 | Very high | 97.4 | Very high | 71 Ų | 71 | 105.2 Ų | 105.2 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.7 | -40.8 | 174.6 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | R210 E211 A212 L217 M218 | R210-S214 WeakPolarHBondContact O-CB 3.4Å; R210-S214 PolarHBondContact O-N 2.89Å; E211-S214 WeakPolarHBondContact O-CA 3.26Å; E211-S214 WeakPolarHBondContact O-CB 3.47Å; E211-S214 PolarHBondContact O-N 3.43Å; A212-S214 VanDerWaalsContact C-N 3.33Å; S214-L217 PolarHBondContact O-N 3.28Å; S214-M218 WeakPolarHBondContact O-CB 3.28Å; S214-M218 PolarHBondContact O-N 2.89Å |
| 215 | D | 97.6 | Very high | 97.2 | Very high | 86 Ų | 86 | 109.6 Ų | 109.6 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 175.1 | -79.2 | -13.5 | 0 | 0 | 0 | 111.8 | E211 A212 M218 Y219 | E211-D215 PolarHBondContact O-N 3.33Å; A212-D215 PolarHBondContact O-N 3.46Å; D215-M218 PolarHBondContact O-N 3.01Å; D215-Y219 VanDerWaalsContact O-CB 3.29Å; D215-Y219 WeakPolarHBondContact O-CB 3.45Å; D215-Y219 PolarHBondContact O-N 3.48Å |
| 216 | E | 97.5 | Very high | 96.9 | Very high | 116 Ų | 116 | 111 Ų | 111 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 173.4 | -176 | 176.9 | -169.4 | 0 | 0 | 111.5 | A212 Y219 L220 | A212-E216 WeakPolarHBondContact O-CB 3.34Å; A212-E216 PolarHBondContact O-N 3.18Å; E216-Y219 PolarHBondContact O-N 3.13Å; E216-L220 HydrophobicContact CG-CD1 4.08Å; E216-L220 WeakPolarHBondContact O-CB 3.44Å; E216-L220 PolarHBondContact O-N 3.47Å |
| 217 | L | 96.9 | Very high | 96.5 | Very high | 109 Ų | 109 | 111 Ų | 111 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 174.9 | -80.3 | 171.2 | 0 | 0 | 0 | 112.6 | L213 S214 Y219 L220 Q221 | L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 3.49Å; S214-L217 PolarHBondContact O-N 3.28Å; L217-Y219 VanDerWaalsContact C-N 3.34Å; L217-L220 PolarHBondContact O-N 3.3Å; L217-Q221 WeakPolarHBondContact O-CB 3.49Å; L217-Q221 VanDerWaalsContact O-CG 3.31Å; L217-Q221 WeakPolarHBondContact O-CG 3.12Å; L217-Q221 PolarHBondContact O-N 2.93Å |
| 218 | M | 97.2 | Very high | 96 | Very high | 114 Ų | 114 | 110.6 Ų | 110.6 | 56% | 0.562 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 176.7 | -179.9 | 177.2 | 57.2 | 0 | 0 | 111.4 | S214 D215 Q221 K222 | S214-M218 WeakPolarHBondContact O-CB 3.28Å; S214-M218 PolarHBondContact O-N 2.89Å; D215-M218 PolarHBondContact O-N 3.01Å; M218-Q221 PolarHBondContact O-N 3.09Å; M218-K222 WeakPolarHBondContact O-CB 3.33Å; M218-K222 PolarHBondContact O-N 3.15Å |
| 219 | Y | 97.3 | Very high | 95.3 | Very high | 163 Ų | 163 | 106.7 Ų | 106.7 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.2 | -46.6 | 175.8 | 179.5 | -99.5 | 0 | 0 | 0 | 111.8 | D215 E216 L217 K222 N223 | D215-Y219 VanDerWaalsContact O-CB 3.29Å; D215-Y219 WeakPolarHBondContact O-CB 3.45Å; D215-Y219 PolarHBondContact O-N 3.48Å; E216-Y219 PolarHBondContact O-N 3.13Å; L217-Y219 VanDerWaalsContact C-N 3.34Å; Y219-K222 PolarHBondContact O-N 3.02Å; Y219-N223 WeakPolarHBondContact O-CB 3.35Å; Y219-N223 PolarHBondContact O-N 2.92Å |
| 220 | L | 96.8 | Very high | 94.7 | Very high | 96 Ų | 96 | 106 Ų | 106 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 175.1 | -88 | 157 | 0 | 0 | 0 | 112.6 | E216 L217 N223 H224 | E216-L220 HydrophobicContact CG-CD1 4.08Å; E216-L220 WeakPolarHBondContact O-CB 3.44Å; E216-L220 PolarHBondContact O-N 3.47Å; L217-L220 PolarHBondContact O-N 3.3Å; L220-N223 PolarHBondContact O-N 3.44Å; L220-H224 WeakPolarHBondContact O-CB 3.46Å; L220-H224 PolarHBondContact O-N 2.97Å |
| 221 | Q | 96.1 | Very high | 93.7 | Very high | 137 Ų | 137 | 102.7 Ų | 102.7 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.9 | -47 | 175.7 | -77.3 | 177.1 | -3.4 | 0 | 0 | 111.5 | L217 M218 H224 E225 | L217-Q221 WeakPolarHBondContact O-CB 3.49Å; L217-Q221 VanDerWaalsContact O-CG 3.31Å; L217-Q221 WeakPolarHBondContact O-CG 3.12Å; L217-Q221 PolarHBondContact O-N 2.93Å; M218-Q221 PolarHBondContact O-N 3.09Å; Q221-H224 PolarHBondContact O-N 2.92Å; Q221-E225 PolarHBondContact O-N 3.38Å |
| 222 | K | 96.6 | Very high | 92.4 | Very high | 121 Ų | 121 | 103.6 Ų | 103.6 | 53% | 0.526 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 177.8 | -178.7 | -179.8 | 168 | -175.5 | 0 | 111.9 | M218 Y219 H224 E225 E226 | M218-K222 WeakPolarHBondContact O-CB 3.33Å; M218-K222 PolarHBondContact O-N 3.15Å; Y219-K222 PolarHBondContact O-N 3.02Å; K222-H224 VanDerWaalsContact C-N 3.31Å; K222-H224 PolarHBondContact O-N 2.84Å; K222-E225 PolarHBondContact O-N 3.01Å; K222-E226 WeakPolarHBondContact CE-OE1 2.77Å; K222-E226 IonicContact NZ-OE1 3.73Å; K222-E226 WeakPolarHBondContact O-CG 3.23Å; K222-E226 PolarHBondContact O-N 3.44Å |
| 223 | N | 95.4 | Very high | 90.8 | Very high | 58 Ų | 58 | 106.8 Ų | 106.8 | 31% | 0.31 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 177.1 | -174.4 | 76 | 0 | 0 | 0 | 111.3 | Y219 L220 E226 E227 | Y219-N223 WeakPolarHBondContact O-CB 3.35Å; Y219-N223 PolarHBondContact O-N 2.92Å; L220-N223 PolarHBondContact O-N 3.44Å; N223-E226 PolarHBondContact O-N 2.88Å; N223-E227 PolarHBondContact ND2-OE1 3.41Å; N223-E227 WeakPolarHBondContact O-CB 3.45Å; N223-E227 WeakPolarHBondContact O-CG 3.4Å; N223-E227 PolarHBondContact O-N 3.3Å |
| 224 | H | 94.6 | Very high | 89 | Confident | 111 Ų | 111 | 105.2 Ų | 105.2 | 51% | 0.514 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 173.9 | -178 | 57.7 | 0 | 0 | 0 | 112.6 | L220 Q221 K222 E227 M228 | L220-H224 WeakPolarHBondContact O-CB 3.46Å; L220-H224 PolarHBondContact O-N 2.97Å; Q221-H224 PolarHBondContact O-N 2.92Å; K222-H224 VanDerWaalsContact C-N 3.31Å; K222-H224 PolarHBondContact O-N 2.84Å; H224-E227 PolarHBondContact O-N 2.98Å; H224-M228 VanDerWaalsContact CE1-CG 3.43Å; H224-M228 WeakPolarHBondContact CE1-CG 3.38Å; H224-M228 VanDerWaalsContact O-CB 3.27Å; H224-M228 WeakPolarHBondContact O-CB 3.28Å; H224-M228 WeakPolarHBondContact O-CG 3.34Å; H224-M228 PolarHBondContact O-N 3.44Å |
| 225 | E | 93.9 | Very high | 86.8 | Confident | 152 Ų | 152 | 106.8 Ų | 106.8 | 71% | 0.71 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66 | -40.2 | 176 | -172.7 | 167.8 | -152.2 | 0 | 0 | 111.9 | Q221 K222 G229 | Q221-E225 PolarHBondContact O-N 3.38Å; K222-E225 PolarHBondContact O-N 3.01Å; E225-G229 PolarHBondContact O-N 3.49Å |
| 226 | E | 92.2 | Very high | 84.5 | Confident | 105 Ų | 105 | 105.9 Ų | 105.9 | 49% | 0.491 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.3 | -46.7 | 173.1 | -73.1 | -179.1 | -177.1 | 0 | 0 | 111.8 | K222 N223 G229 V230 | K222-E226 WeakPolarHBondContact CE-OE1 2.77Å; K222-E226 IonicContact NZ-OE1 3.73Å; K222-E226 WeakPolarHBondContact O-CG 3.23Å; K222-E226 PolarHBondContact O-N 3.44Å; N223-E226 PolarHBondContact O-N 2.88Å; E226-G229 PolarHBondContact O-N 2.95Å; E226-V230 WeakPolarHBondContact O-CG2 3.44Å; E226-V230 PolarHBondContact O-N 2.92Å |
| 227 | E | 90.5 | Very high | 82.1 | Confident | 103 Ų | 103 | 102.5 Ų | 102.5 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.9 | -44.2 | 175 | -77.9 | 177.7 | -169.8 | 0 | 0 | 112.2 | N223 H224 G229 V230 L231 | N223-E227 PolarHBondContact ND2-OE1 3.41Å; N223-E227 WeakPolarHBondContact O-CB 3.45Å; N223-E227 WeakPolarHBondContact O-CG 3.4Å; N223-E227 PolarHBondContact O-N 3.3Å; H224-E227 PolarHBondContact O-N 2.98Å; E227-G229 VanDerWaalsContact C-N 3.34Å; E227-V230 PolarHBondContact O-N 3.36Å; E227-L231 WeakPolarHBondContact O-CB 3.48Å; E227-L231 WeakPolarHBondContact O-CG 3.32Å; E227-L231 PolarHBondContact O-N 3.38Å |
| 228 | M | 86.9 | Confident | 79.4 | Confident | 98 Ų | 98 | 104.2 Ų | 104.2 | 48% | 0.483 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.5 | -37.2 | 175.8 | -74.7 | -62.6 | -62.1 | 0 | 0 | 111.8 | H224 L231 Q232 | H224-M228 VanDerWaalsContact CE1-CG 3.43Å; H224-M228 WeakPolarHBondContact CE1-CG 3.38Å; H224-M228 VanDerWaalsContact O-CB 3.27Å; H224-M228 WeakPolarHBondContact O-CB 3.28Å; H224-M228 WeakPolarHBondContact O-CG 3.34Å; H224-M228 PolarHBondContact O-N 3.44Å; M228-L231 PolarHBondContact O-N 3.29Å; M228-L231 HydrophobicContact SD-CD1 4.37Å; M228-Q232 VanDerWaalsContact O-CB 3.22Å; M228-Q232 WeakPolarHBondContact O-CB 3.43Å; M228-Q232 PolarHBondContact O-N 3.5Å |
| 229 | G | 84.4 | Confident | 77 | Confident | 23 Ų | 23 | 106 Ų | 106 | 24% | 0.237 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -63.2 | -43.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E225 E226 E227 Q232 N233 | E225-G229 PolarHBondContact O-N 3.49Å; E226-G229 PolarHBondContact O-N 2.95Å; E227-G229 VanDerWaalsContact C-N 3.34Å; G229-Q232 PolarHBondContact O-N 3.36Å; G229-N233 VanDerWaalsContact O-CB 3.32Å; G229-N233 WeakPolarHBondContact O-CB 3.37Å; G229-N233 PolarHBondContact O-N 2.9Å; G229-N233 PolarHBondContact O-ND2 2.71Å |
| 230 | V | 83.9 | Confident | 74.2 | Confident | 98 Ų | 98 | 104.4 Ų | 104.4 | 59% | 0.594 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.2 | -44.5 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | E226 E227 N233 A234 | E226-V230 WeakPolarHBondContact O-CG2 3.44Å; E226-V230 PolarHBondContact O-N 2.92Å; E227-V230 PolarHBondContact O-N 3.36Å; V230-N233 PolarHBondContact O-N 3.16Å; V230-A234 VanDerWaalsContact O-CB 3.27Å; V230-A234 WeakPolarHBondContact O-CB 3.45Å; V230-A234 PolarHBondContact O-N 3.44Å |
| 231 | L | 77.3 | Confident | 71.8 | Confident | 107 Ų | 107 | 105.6 Ų | 105.6 | 56% | 0.56 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.4 | -39.3 | 176.9 | -72.8 | 170.4 | 0 | 0 | 0 | 112.2 | E227 M228 A234 S235 | E227-L231 WeakPolarHBondContact O-CB 3.48Å; E227-L231 WeakPolarHBondContact O-CG 3.32Å; E227-L231 PolarHBondContact O-N 3.38Å; M228-L231 PolarHBondContact O-N 3.29Å; M228-L231 HydrophobicContact SD-CD1 4.37Å; L231-A234 PolarHBondContact O-N 2.88Å; L231-S235 WeakPolarHBondContact O-CB 3.44Å; L231-S235 PolarHBondContact O-N 2.87Å; L231-S235 PolarHBondContact O-OG 3.4Å |
| 232 | Q | 70.9 | Confident | 69.1 | Low | 146 Ų | 146 | 105.7 Ų | 105.7 | 68% | 0.682 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.6 | -45.2 | 175.3 | -170.3 | 170.4 | 38.9 | 0 | 0 | 111 | M228 G229 A234 S235 G236 | M228-Q232 VanDerWaalsContact O-CB 3.22Å; M228-Q232 WeakPolarHBondContact O-CB 3.43Å; M228-Q232 PolarHBondContact O-N 3.5Å; G229-Q232 PolarHBondContact O-N 3.36Å; Q232-A234 PolarHBondContact O-N 3.24Å; Q232-S235 WeakPolarHBondContact CA-OG 2.92Å; Q232-S235 PolarHBondContact O-N 2.65Å; Q232-S235 PolarHBondContact O-OG 3.04Å; Q232-G236 PolarHBondContact O-N 3.43Å |
| 233 | N | 65.3 | Low | 66.5 | Low | 124 Ų | 124 | 107.9 Ų | 107.9 | 66% | 0.663 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.1 | -39.6 | 173.9 | -71.7 | -35.5 | 0 | 0 | 0 | 112.1 | G229 V230 S235 G236 G237 | G229-N233 VanDerWaalsContact O-CB 3.32Å; G229-N233 WeakPolarHBondContact O-CB 3.37Å; G229-N233 PolarHBondContact O-N 2.9Å; G229-N233 PolarHBondContact O-ND2 2.71Å; V230-N233 PolarHBondContact O-N 3.16Å; N233-S235 VanDerWaalsContact C-N 3.33Å; N233-S235 PolarHBondContact O-N 3.08Å; N233-G236 PolarHBondContact O-N 3.47Å; N233-G237 PolarHBondContact O-N 2.9Å |
| 234 | A | 59.1 | Low | 63.8 | Low | 72 Ų | 72 | 112.2 Ų | 112.2 | 60% | 0.595 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.8 | -33.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V230 L231 Q232 G236 | V230-A234 VanDerWaalsContact O-CB 3.27Å; V230-A234 WeakPolarHBondContact O-CB 3.45Å; V230-A234 PolarHBondContact O-N 3.44Å; L231-A234 PolarHBondContact O-N 2.88Å; Q232-A234 PolarHBondContact O-N 3.24Å; A234-G236 VanDerWaalsContact C-N 3.29Å; A234-G236 PolarHBondContact O-N 2.98Å |
| 235 | S | 52.6 | Low | 61.2 | Low | 103 Ų | 103 | 111 Ų | 111 | 72% | 0.72 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -77.3 | -8.5 | 174.1 | 63.1 | 0 | 0 | 0 | 0 | 114.7 | L231 Q232 N233 | L231-S235 WeakPolarHBondContact O-CB 3.44Å; L231-S235 PolarHBondContact O-N 2.87Å; L231-S235 PolarHBondContact O-OG 3.4Å; Q232-S235 WeakPolarHBondContact CA-OG 2.92Å; Q232-S235 PolarHBondContact O-N 2.65Å; Q232-S235 PolarHBondContact O-OG 3.04Å; N233-S235 VanDerWaalsContact C-N 3.33Å; N233-S235 PolarHBondContact O-N 3.08Å |
| 236 | G | 49.7 | Very low | 59.1 | Low | 67 Ų | 67 | 107.7 Ų | 107.7 | 69% | 0.691 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -102.4 | -6.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q232 N233 A234 | Q232-G236 PolarHBondContact O-N 3.43Å; N233-G236 PolarHBondContact O-N 3.47Å; A234-G236 VanDerWaalsContact C-N 3.29Å; A234-G236 PolarHBondContact O-N 2.98Å |
| 237 | G | 47.4 | Very low | 57 | Low | 45 Ų | 45 | 108.5 Ų | 108.5 | 46% | 0.464 | 65% | 0.653 | S | S | . | * | trans | -93.4 | 107 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N233 I239 | N233-G237 PolarHBondContact O-N 2.9Å; G237-I239 PolarHBondContact O-N 3.19Å | ||
| 238 | T | 40.2 | Very low | 55.4 | Low | 146 Ų | 146 | 107.5 Ų | 107.5 | 90% | 0.896 | 67% | 0.671 | S | S | * | * | trans | -62.3 | 108.6 | 160.1 | -4.6 | 0 | 0 | 0 | 0 | 108.9 | N240 | T238-N240 PolarHBondContact O-N 2.87Š| ||
| 239 | I | 45.2 | Very low | 54.3 | Low | 152 Ų | 152 | 107.7 Ų | 107.7 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | trans | -62.7 | 107.7 | -179.1 | -61.9 | 171.8 | 0 | 0 | 0 | 109.5 | G237 V241 | G237-I239 PolarHBondContact O-N 3.19Å; I239-V241 HydrophobicContact CG2-CB 4.44Å; I239-V241 HydrophobicContact CG2-CG2 3.5Å; I239-V241 VanDerWaalsContact CG2-CG2 3.5Å | ||
| 240 | N | 39.8 | Very low | 53.3 | Low | 128 Ų | 128 | 111 Ų | 111 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | trans | -106.5 | 88.1 | 166.4 | -160.5 | 43.2 | 0 | 0 | 0 | 109.3 | T238 E242 | T238-N240 PolarHBondContact O-N 2.87Å; N240-E242 PolarHBondContact ND2-OE1 2.92Å; N240-E242 PolarHBondContact O-N 3.33Å | ||
| 241 | V | 46.7 | Very low | 52.8 | Low | 121 Ų | 121 | 112.4 Ų | 112.4 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | trans | -85.7 | 90.8 | 174.3 | 171.2 | 0 | 0 | 0 | 0 | 108.1 | I239 M243 | I239-V241 HydrophobicContact CG2-CB 4.44Å; I239-V241 HydrophobicContact CG2-CG2 3.5Å; I239-V241 VanDerWaalsContact CG2-CG2 3.5Å; V241-M243 PolarHBondContact O-N 2.96Å | ||
| 242 | E | 38.1 | Very low | 52.8 | Low | 139 Ų | 139 | 111.5 Ų | 111.5 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | trans | -80.1 | 102.1 | 169.2 | -77.2 | -177.6 | -163.5 | 0 | 0 | 109.9 | N240 N244 | N240-E242 PolarHBondContact ND2-OE1 2.92Å; N240-E242 PolarHBondContact O-N 3.33Å; E242-N244 VanDerWaalsContact C-N 3.27Å; E242-N244 PolarHBondContact O-N 3.05Å | ||
| 243 | M | 42.7 | Very low | 53.1 | Low | 168 Ų | 168 | 106.5 Ų | 106.5 | 83% | 0.828 | 68% | 0.676 | S | S | * | * | trans | -70.1 | 78.5 | 176.8 | -170.6 | -178.7 | 94 | 0 | 0 | 111 | V241 A245 | V241-M243 PolarHBondContact O-N 2.96Å; M243-A245 PolarHBondContact O-N 3.45Å | ||
| 244 | N | 38.9 | Very low | 54 | Low | 148 Ų | 148 | 105.1 Ų | 105.1 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | trans | -73.6 | 93.8 | 167.7 | -97.8 | -51 | 0 | 0 | 0 | 109.9 | E242 A246 | E242-N244 VanDerWaalsContact C-N 3.27Å; E242-N244 PolarHBondContact O-N 3.05Å; N244-A246 VanDerWaalsContact C-N 3.31Å; N244-A246 PolarHBondContact O-N 2.98Å | ||
| 245 | A | 38.8 | Very low | 55.2 | Low | 87 Ų | 87 | 106.5 Ų | 106.5 | 72% | 0.719 | 66% | 0.663 | S | S | * | * | trans | -68.1 | 88.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | M243 | M243-A245 PolarHBondContact O-N 3.45Š| ||
| 246 | A | 50.2 | Low | 56.8 | Low | 82 Ų | 82 | 105.8 Ų | 105.8 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | trans | -60.3 | 153.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N244 | N244-A246 VanDerWaalsContact C-N 3.31Å; N244-A246 PolarHBondContact O-N 2.98Å | ||
| 247 | P | 47.8 | Very low | 58.6 | Low | 121 Ų | 121 | 107.8 Ų | 107.8 | 79% | 0.786 | 65% | 0.646 | S | S | * | * | trans | -59.5 | 148.7 | -170 | -22.5 | 33.7 | 0 | 0 | 0 | 112.6 | V249 | P247-V249 PolarHBondContact O-N 3.35Š| ||
| 248 | G | 57.7 | Low | 60.5 | Low | 83 Ų | 83 | 109.5 Ų | 109.5 | 86% | 0.856 | 64% | 0.643 | S | S | * | * | trans | -48 | 105.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D250 | G248-D250 PolarHBondContact O-N 2.92Š| ||
| 249 | V | 62.4 | Low | 62.9 | Low | 102 Ų | 102 | 110.8 Ų | 110.8 | 62% | 0.618 | 63% | 0.631 | S | S | * | * | trans | -62.1 | 132.6 | 173.5 | 178.1 | 0 | 0 | 0 | 0 | 108 | P247 L251 M254 | P247-V249 PolarHBondContact O-N 3.35Å; V249-L251 PolarHBondContact O-N 3.46Å; V249-M254 HydrophobicContact CG1-CB 4.19Å; V249-M254 HydrophobicContact CG1-SD 4.28Å | ||
| 250 | D | 65.3 | Low | 65 | Low | 93 Ų | 93 | 105.6 Ų | 105.6 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | trans | -60.6 | 104 | 171.3 | 174.6 | 14.7 | 0 | 0 | 0 | 108.8 | G248 T252 A253 M254 | G248-D250 PolarHBondContact O-N 2.92Å; D250-T252 PolarHBondContact O-N 2.89Å; D250-T252 VanDerWaalsContact O-N 3.12Å; D250-T252 WeakPolarHBondContact OD1-CB 3.45Å; D250-T252 PolarHBondContact OD1-N 2.86Å; D250-T252 PolarHBondContact OD1-OG1 3.34Å; D250-A253 HydrophobicContact CB-CB 4Å; D250-A253 WeakPolarHBondContact O-CB 3.36Å; D250-A253 PolarHBondContact O-N 3.07Å; D250-A253 PolarHBondContact OD2-N 2.7Å; D250-M254 PolarHBondContact O-N 3.3Å | ||
| 251 | L | 72.9 | Confident | 67.5 | Low | 126 Ų | 126 | 106.1 Ų | 106.1 | 66% | 0.66 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59.6 | -26.5 | -177.4 | -154.4 | 77.7 | 0 | 0 | 0 | 111.2 | V249 L255 | V249-L251 PolarHBondContact O-N 3.46Å; L251-L255 HydrophobicContact CG-CD1 4.35Å; L251-L255 VanDerWaalsContact O-CB 3.28Å; L251-L255 WeakPolarHBondContact O-CB 3.48Å; L251-L255 WeakPolarHBondContact O-CD1 3.47Å; L251-L255 WeakPolarHBondContact O-CG 3.38Å; L251-L255 PolarHBondContact O-N 2.97Å |
| 252 | T | 76.4 | Confident | 69.7 | Low | 88 Ų | 88 | 108.4 Ų | 108.4 | 54% | 0.54 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.6 | -47.4 | 175.3 | -29.3 | 0 | 0 | 0 | 0 | 110.8 | D250 L255 N256 | D250-T252 PolarHBondContact O-N 2.89Å; D250-T252 VanDerWaalsContact O-N 3.12Å; D250-T252 WeakPolarHBondContact OD1-CB 3.45Å; D250-T252 PolarHBondContact OD1-N 2.86Å; D250-T252 PolarHBondContact OD1-OG1 3.34Å; T252-L255 PolarHBondContact O-N 2.85Å; T252-N256 WeakPolarHBondContact O-CB 3.45Å; T252-N256 VanDerWaalsContact O-CG 3.23Å; T252-N256 PolarHBondContact O-N 3.34Å; T252-N256 PolarHBondContact O-ND2 3.1Å |
| 253 | A | 78.8 | Confident | 72.3 | Confident | 41 Ų | 41 | 108.1 Ų | 108.1 | 34% | 0.339 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D250 N256 N257 | D250-A253 HydrophobicContact CB-CB 4Å; D250-A253 WeakPolarHBondContact O-CB 3.36Å; D250-A253 PolarHBondContact O-N 3.07Å; D250-A253 PolarHBondContact OD2-N 2.7Å; A253-N256 PolarHBondContact O-N 2.92Å; A253-N257 WeakPolarHBondContact O-CB 3.18Å; A253-N257 PolarHBondContact O-N 2.74Å |
| 254 | M | 82.7 | Confident | 74.7 | Confident | 96 Ų | 96 | 105.2 Ų | 105.2 | 47% | 0.473 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.1 | -45.5 | 175.7 | -169.6 | 85.5 | -176.2 | 0 | 0 | 112.1 | V249 D250 N257 M258 | V249-M254 HydrophobicContact CG1-CB 4.19Å; V249-M254 HydrophobicContact CG1-SD 4.28Å; D250-M254 PolarHBondContact O-N 3.3Å; M254-N257 PolarHBondContact O-N 3.27Å; M254-M258 HydrophobicContact CG-CE 4.2Å; M254-M258 WeakPolarHBondContact O-CG 3.37Å; M254-M258 PolarHBondContact O-N 2.97Å |
| 255 | L | 84.4 | Confident | 77.3 | Confident | 100 Ų | 100 | 103.5 Ų | 103.5 | 52% | 0.524 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.2 | -37.4 | 176.7 | -86 | 159.6 | 0 | 0 | 0 | 112.5 | L251 T252 M258 R259 | L251-L255 HydrophobicContact CG-CD1 4.35Å; L251-L255 VanDerWaalsContact O-CB 3.28Å; L251-L255 WeakPolarHBondContact O-CB 3.48Å; L251-L255 WeakPolarHBondContact O-CD1 3.47Å; L251-L255 WeakPolarHBondContact O-CG 3.38Å; L251-L255 PolarHBondContact O-N 2.97Å; T252-L255 PolarHBondContact O-N 2.85Å; L255-M258 HydrophobicContact CD2-CE 3.89Å; L255-M258 HydrophobicContact CG-CE 4.13Å; L255-R259 WeakPolarHBondContact O-CB 3.29Å; L255-R259 PolarHBondContact O-N 3Å |
| 256 | N | 86.1 | Confident | 79.9 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.1 | -40.7 | 175 | -73.7 | -28.8 | 0 | 0 | 0 | 111.9 | T252 A253 R259 A260 | T252-N256 WeakPolarHBondContact O-CB 3.45Å; T252-N256 VanDerWaalsContact O-CG 3.23Å; T252-N256 PolarHBondContact O-N 3.34Å; T252-N256 PolarHBondContact O-ND2 3.1Å; A253-N256 PolarHBondContact O-N 2.92Å; N256-R259 PolarHBondContact O-N 3.32Å; N256-A260 WeakPolarHBondContact O-CB 3.46Å; N256-A260 PolarHBondContact O-N 3.48Å |
| 257 | N | 87.3 | Confident | 82 | Confident | 108 Ų | 108 | 102 Ų | 102 | 58% | 0.578 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.8 | -47.2 | 172.2 | -82.5 | -4.6 | 0 | 0 | 0 | 111.3 | A253 M254 R259 A260 E261 | A253-N257 WeakPolarHBondContact O-CB 3.18Å; A253-N257 PolarHBondContact O-N 2.74Å; M254-N257 PolarHBondContact O-N 3.27Å; N257-R259 VanDerWaalsContact C-N 3.28Å; N257-R259 PolarHBondContact O-N 3.41Å; N257-A260 WeakPolarHBondContact O-CB 3.36Å; N257-A260 PolarHBondContact O-N 2.88Å; N257-A260 VanDerWaalsContact O-N 3.09Å; N257-E261 VanDerWaalsContact O-CG 3.31Å; N257-E261 WeakPolarHBondContact O-CG 3.45Å; N257-E261 PolarHBondContact O-N 2.93Å |
| 258 | M | 88.4 | Confident | 84.2 | Confident | 82 Ų | 82 | 100.6 Ų | 100.6 | 40% | 0.404 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 175.4 | -73.9 | -172.9 | -63.8 | 0 | 0 | 111.9 | M254 L255 Y262 | M254-M258 HydrophobicContact CG-CE 4.2Å; M254-M258 WeakPolarHBondContact O-CG 3.37Å; M254-M258 PolarHBondContact O-N 2.97Å; L255-M258 HydrophobicContact CD2-CE 3.89Å; L255-M258 HydrophobicContact CG-CE 4.13Å; M258-Y262 WeakPolarHBondContact O-CB 3.48Å; M258-Y262 WeakPolarHBondContact O-CD2 3.41Å; M258-Y262 PolarHBondContact O-N 2.87Å |
| 259 | R | 90.1 | Very high | 86 | Confident | 172 Ų | 172 | 101.9 Ų | 101.9 | 65% | 0.649 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.7 | -44.9 | 173.1 | 175.5 | 175.9 | -82.1 | 160.1 | -7.5 | 111.6 | L255 N256 N257 Y262 E263 | L255-R259 WeakPolarHBondContact O-CB 3.29Å; L255-R259 PolarHBondContact O-N 3Å; N256-R259 PolarHBondContact O-N 3.32Å; N257-R259 VanDerWaalsContact C-N 3.28Å; N257-R259 PolarHBondContact O-N 3.41Å; R259-Y262 PolarHBondContact O-N 2.93Å; R259-E263 VanDerWaalsContact O-CB 3.29Å; R259-E263 WeakPolarHBondContact O-CB 3.3Å; R259-E263 PolarHBondContact O-N 3.38Å |
| 260 | A | 90.5 | Very high | 87.5 | Confident | 43 Ų | 43 | 102.4 Ų | 102.4 | 36% | 0.355 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N256 N257 Y262 E263 D264 | N256-A260 WeakPolarHBondContact O-CB 3.46Å; N256-A260 PolarHBondContact O-N 3.48Å; N257-A260 WeakPolarHBondContact O-CB 3.36Å; N257-A260 PolarHBondContact O-N 2.88Å; N257-A260 VanDerWaalsContact O-N 3.09Å; A260-Y262 VanDerWaalsContact C-N 3.33Å; A260-Y262 PolarHBondContact O-N 3.13Å; A260-E263 PolarHBondContact O-N 2.68Å; A260-E263 VanDerWaalsContact O-N 3.08Å; A260-D264 WeakPolarHBondContact O-CB 3.41Å; A260-D264 PolarHBondContact O-N 2.9Å |
| 261 | E | 90.8 | Very high | 89 | Confident | 140 Ų | 140 | 102.4 Ų | 102.4 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.1 | -40.9 | 175.4 | -66.4 | -75.7 | 163.5 | 0 | 0 | 112.2 | N257 L265 | N257-E261 VanDerWaalsContact O-CG 3.31Å; N257-E261 WeakPolarHBondContact O-CG 3.45Å; N257-E261 PolarHBondContact O-N 2.93Å; E261-L265 WeakPolarHBondContact O-CB 3.42Å; E261-L265 PolarHBondContact O-N 3.1Å |
| 262 | Y | 92.8 | Very high | 90.1 | Very high | 169 Ų | 169 | 100.4 Ų | 100.4 | 66% | 0.663 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.8 | -32.5 | 175 | -82.1 | -59.7 | 0 | 0 | 0 | 113.4 | M258 R259 A260 A266 | M258-Y262 WeakPolarHBondContact O-CB 3.48Å; M258-Y262 WeakPolarHBondContact O-CD2 3.41Å; M258-Y262 PolarHBondContact O-N 2.87Å; R259-Y262 PolarHBondContact O-N 2.93Å; A260-Y262 VanDerWaalsContact C-N 3.33Å; A260-Y262 PolarHBondContact O-N 3.13Å; Y262-A266 WeakPolarHBondContact O-CB 3.37Å; Y262-A266 PolarHBondContact O-N 2.87Å |
| 263 | E | 92.9 | Very high | 90.9 | Very high | 132 Ų | 132 | 99 Ų | 99 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -75.6 | -40.1 | 178.7 | -166.3 | 152.5 | -161.9 | 0 | 0 | 110.8 | R259 A260 A266 E267 | R259-E263 VanDerWaalsContact O-CB 3.29Å; R259-E263 WeakPolarHBondContact O-CB 3.3Å; R259-E263 PolarHBondContact O-N 3.38Å; A260-E263 PolarHBondContact O-N 2.68Å; A260-E263 VanDerWaalsContact O-N 3.08Å; E263-A266 PolarHBondContact O-N 3.48Å; E263-E267 WeakPolarHBondContact O-CB 3.37Å; E263-E267 PolarHBondContact O-N 3.39Å |
| 264 | D | 93.1 | Very high | 91.7 | Very high | 108 Ų | 108 | 100.5 Ų | 100.5 | 58% | 0.578 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 169.5 | -76.4 | -25.3 | 0 | 0 | 0 | 111.4 | A260 E267 Q268 | A260-D264 WeakPolarHBondContact O-CB 3.41Å; A260-D264 PolarHBondContact O-N 2.9Å; D264-E267 PolarHBondContact O-N 3.34Å; D264-Q268 VanDerWaalsContact O-CB 3.25Å; D264-Q268 WeakPolarHBondContact O-CB 3.25Å; D264-Q268 PolarHBondContact O-N 2.96Å |
| 265 | L | 93.9 | Very high | 92.3 | Very high | 111 Ų | 111 | 98.5 Ų | 98.5 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | 175.9 | -177.8 | 65.1 | 0 | 0 | 0 | 112.2 | E261 Q268 N269 | E261-L265 WeakPolarHBondContact O-CB 3.42Å; E261-L265 PolarHBondContact O-N 3.1Å; L265-Q268 PolarHBondContact O-N 3.47Å; L265-N269 VanDerWaalsContact O-CB 3.27Å; L265-N269 WeakPolarHBondContact O-CB 3.35Å; L265-N269 PolarHBondContact O-N 2.84Å |
| 266 | A | 93.3 | Very high | 92.9 | Very high | 60 Ų | 60 | 96.9 Ų | 96.9 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y262 E263 R270 | Y262-A266 WeakPolarHBondContact O-CB 3.37Å; Y262-A266 PolarHBondContact O-N 2.87Å; E263-A266 PolarHBondContact O-N 3.48Å; A266-R270 WeakPolarHBondContact O-CB 3.38Å; A266-R270 PolarHBondContact O-N 2.92Å |
| 267 | E | 94.3 | Very high | 93.4 | Very high | 79 Ų | 79 | 99.6 Ų | 99.6 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.1 | -36.9 | 175.2 | 179.7 | 159.3 | -105.5 | 0 | 0 | 112.2 | E263 D264 R270 K271 | E263-E267 WeakPolarHBondContact O-CB 3.37Å; E263-E267 PolarHBondContact O-N 3.39Å; D264-E267 PolarHBondContact O-N 3.34Å; E267-R270 WeakPolarHBondContact O-CB 3.38Å; E267-R270 PolarHBondContact O-N 3.41Å; E267-R270 IonicContact OE1-CZ 2.78Å; E267-R270 IonicContact OE1-NE 2.98Å; E267-R270 IonicContact OE1-NH2 3.83Å; E267-R270 PolarHBondContact OE1-NH2 2.85Å; E267-K271 HydrophobicContact CG-CD 4.09Å; E267-K271 VanDerWaalsContact CG-CE 3.46Å; E267-K271 HydrophobicContact CG-CG 4.44Å; E267-K271 VanDerWaalsContact O-CG 3.3Å; E267-K271 WeakPolarHBondContact O-CG 3.39Å; E267-K271 PolarHBondContact O-N 2.9Å; E267-K271 WeakPolarHBondContact OE2-CE 3.49Å; E267-K271 IonicContact OE2-NZ 3.82Å; E267-K271 PolarHBondContact OE2-NZ 2.74Å |
| 268 | Q | 94.3 | Very high | 93.9 | Very high | 90 Ų | 90 | 100.4 Ų | 100.4 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 172.7 | -175.3 | 56.1 | 34.7 | 0 | 0 | 110.6 | D264 L265 R270 K271 D272 | D264-Q268 VanDerWaalsContact O-CB 3.25Å; D264-Q268 WeakPolarHBondContact O-CB 3.25Å; D264-Q268 PolarHBondContact O-N 2.96Å; L265-Q268 PolarHBondContact O-N 3.47Å; Q268-R270 VanDerWaalsContact C-N 3.31Å; Q268-R270 PolarHBondContact O-N 3.29Å; Q268-K271 WeakPolarHBondContact O-CB 3.31Å; Q268-K271 PolarHBondContact O-N 3.11Å; Q268-K271 VanDerWaalsContact O-N 3.08Å; Q268-D272 PolarHBondContact NE2-OD1 3.04Å; Q268-D272 PolarHBondContact NE2-OD2 2.96Å; Q268-D272 WeakPolarHBondContact O-CB 3.49Å; Q268-D272 VanDerWaalsContact O-CG 3.26Å; Q268-D272 PolarHBondContact O-N 3.34Å |
| 269 | N | 94.8 | Very high | 94.3 | Very high | 111 Ų | 111 | 101.9 Ų | 101.9 | 59% | 0.594 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.2 | -41.2 | 175 | -168.2 | -77.3 | 0 | 0 | 0 | 112.1 | L265 D272 A273 | L265-N269 VanDerWaalsContact O-CB 3.27Å; L265-N269 WeakPolarHBondContact O-CB 3.35Å; L265-N269 PolarHBondContact O-N 2.84Å; N269-D272 PolarHBondContact O-N 3.46Å; N269-A273 VanDerWaalsContact O-CB 3.27Å; N269-A273 WeakPolarHBondContact O-CB 3.42Å; N269-A273 PolarHBondContact O-N 3.24Å |
| 270 | R | 95.4 | Very high | 94.6 | Very high | 113 Ų | 113 | 99.6 Ų | 99.6 | 43% | 0.426 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 172.8 | -177.8 | -174.9 | 66.3 | 80.1 | -6.1 | 112 | A266 E267 Q268 A273 E274 | A266-R270 WeakPolarHBondContact O-CB 3.38Å; A266-R270 PolarHBondContact O-N 2.92Å; E267-R270 WeakPolarHBondContact O-CB 3.38Å; E267-R270 PolarHBondContact O-N 3.41Å; E267-R270 IonicContact OE1-CZ 2.78Å; E267-R270 IonicContact OE1-NE 2.98Å; E267-R270 IonicContact OE1-NH2 3.83Å; E267-R270 PolarHBondContact OE1-NH2 2.85Å; Q268-R270 VanDerWaalsContact C-N 3.31Å; Q268-R270 PolarHBondContact O-N 3.29Å; R270-A273 PolarHBondContact O-N 3.28Å; R270-E274 IonicContact CZ-OE1 2.68Å; R270-E274 IonicContact NH1-OE1 3.84Å; R270-E274 PolarHBondContact NH1-OE1 3.12Å; R270-E274 WeakPolarHBondContact O-CB 3.36Å; R270-E274 WeakPolarHBondContact O-CG 3.1Å; R270-E274 PolarHBondContact O-N 3.39Å |
| 271 | K | 96 | Very high | 94.8 | Very high | 92 Ų | 92 | 99.8 Ų | 99.8 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 178.2 | -73.8 | 164.4 | -176.3 | 156.9 | 0 | 111.1 | E267 Q268 E274 A275 | E267-K271 HydrophobicContact CG-CD 4.09Å; E267-K271 VanDerWaalsContact CG-CE 3.46Å; E267-K271 HydrophobicContact CG-CG 4.44Å; E267-K271 VanDerWaalsContact O-CG 3.3Å; E267-K271 WeakPolarHBondContact O-CG 3.39Å; E267-K271 PolarHBondContact O-N 2.9Å; E267-K271 WeakPolarHBondContact OE2-CE 3.49Å; E267-K271 IonicContact OE2-NZ 3.82Å; E267-K271 PolarHBondContact OE2-NZ 2.74Å; Q268-K271 WeakPolarHBondContact O-CB 3.31Å; Q268-K271 PolarHBondContact O-N 3.11Å; Q268-K271 VanDerWaalsContact O-N 3.08Å; K271-E274 PolarHBondContact O-N 3.22Å; K271-A275 WeakPolarHBondContact O-CB 3.43Å; K271-A275 PolarHBondContact O-N 3.5Å |
| 272 | D | 95.1 | Very high | 95.1 | Very high | 85 Ų | 85 | 96 Ų | 96 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.9 | -39.8 | 179.9 | -65.2 | -26.2 | 0 | 0 | 0 | 112 | Q268 N269 A275 C276 | Q268-D272 PolarHBondContact NE2-OD1 3.04Å; Q268-D272 PolarHBondContact NE2-OD2 2.96Å; Q268-D272 WeakPolarHBondContact O-CB 3.49Å; Q268-D272 VanDerWaalsContact O-CG 3.26Å; Q268-D272 PolarHBondContact O-N 3.34Å; N269-D272 PolarHBondContact O-N 3.46Å; D272-A275 PolarHBondContact O-N 2.88Å; D272-C276 VanDerWaalsContact O-CB 3.29Å; D272-C276 WeakPolarHBondContact O-CB 3.39Å; D272-C276 PolarHBondContact O-N 3.27Å |
| 273 | A | 94.3 | Very high | 95.2 | Very high | 57 Ų | 57 | 91 Ų | 91 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | N269 R270 F277 | N269-A273 VanDerWaalsContact O-CB 3.27Å; N269-A273 WeakPolarHBondContact O-CB 3.42Å; N269-A273 PolarHBondContact O-N 3.24Å; R270-A273 PolarHBondContact O-N 3.28Å; A273-F277 WeakPolarHBondContact O-CB 3.47Å; A273-F277 PolarHBondContact O-N 3.23Å |
| 274 | E | 95.9 | Very high | 95.4 | Very high | 73 Ų | 73 | 89.4 Ų | 89.4 | 34% | 0.341 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 173.2 | -81.2 | -175.6 | -142.1 | 0 | 0 | 112.7 | R270 K271 K278 | R270-E274 IonicContact CZ-OE1 2.68Å; R270-E274 IonicContact NH1-OE1 3.84Å; R270-E274 PolarHBondContact NH1-OE1 3.12Å; R270-E274 WeakPolarHBondContact O-CB 3.36Å; R270-E274 WeakPolarHBondContact O-CG 3.1Å; R270-E274 PolarHBondContact O-N 3.39Å; K271-E274 PolarHBondContact O-N 3.22Å; E274-K278 WeakPolarHBondContact O-CB 3.34Å; E274-K278 VanDerWaalsContact O-CD 3.32Å; E274-K278 WeakPolarHBondContact O-CD 3.4Å; E274-K278 WeakPolarHBondContact O-CG 3.36Å; E274-K278 PolarHBondContact O-N 2.91Å; E274-K278 IonicContact OE2-NZ 3.71Å; E274-K278 PolarHBondContact OE2-NZ 2.96Å |
| 275 | A | 95.4 | Very high | 95.6 | Very high | 55 Ų | 55 | 89.8 Ų | 89.8 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.3 | -49.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | K271 D272 F277 K278 E279 | K271-A275 WeakPolarHBondContact O-CB 3.43Å; K271-A275 PolarHBondContact O-N 3.5Å; D272-A275 PolarHBondContact O-N 2.88Å; A275-F277 PolarHBondContact O-N 3.38Å; A275-K278 PolarHBondContact O-N 3.26Å; A275-E279 WeakPolarHBondContact O-CB 3.49Å; A275-E279 PolarHBondContact O-N 3.37Å |
| 276 | C | 96.4 | Very high | 95.7 | Very high | 65 Ų | 65 | 89.6 Ų | 89.6 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 175 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | D272 K278 E279 K280 | D272-C276 VanDerWaalsContact O-CB 3.29Å; D272-C276 WeakPolarHBondContact O-CB 3.39Å; D272-C276 PolarHBondContact O-N 3.27Å; C276-K278 PolarHBondContact O-N 2.86Å; C276-E279 PolarHBondContact O-N 3.33Å; C276-K280 WeakPolarHBondContact O-CG 3.42Å; C276-K280 PolarHBondContact O-N 2.92Å |
| 277 | F | 96.8 | Very high | 95.8 | Very high | 147 Ų | 147 | 91.8 Ų | 91.8 | 65% | 0.645 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 175.9 | -177.9 | -94.7 | 0 | 0 | 0 | 112.5 | A273 A275 S281 | A273-F277 WeakPolarHBondContact O-CB 3.47Å; A273-F277 PolarHBondContact O-N 3.23Å; A275-F277 PolarHBondContact O-N 3.38Å; F277-S281 WeakPolarHBondContact CE1-OG 3.29Å; F277-S281 WeakPolarHBondContact O-CB 3.38Å; F277-S281 PolarHBondContact O-N 3.34Å; F277-S281 PolarHBondContact O-OG 2.88Å |
| 278 | K | 96.4 | Very high | 95.9 | Very high | 124 Ų | 124 | 92.3 Ų | 92.3 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.3 | -73.5 | 161.6 | -167.5 | 158 | 0 | 111.3 | E274 A275 C276 S281 A282 | E274-K278 WeakPolarHBondContact O-CB 3.34Å; E274-K278 VanDerWaalsContact O-CD 3.32Å; E274-K278 WeakPolarHBondContact O-CD 3.4Å; E274-K278 WeakPolarHBondContact O-CG 3.36Å; E274-K278 PolarHBondContact O-N 2.91Å; E274-K278 IonicContact OE2-NZ 3.71Å; E274-K278 PolarHBondContact OE2-NZ 2.96Å; A275-K278 PolarHBondContact O-N 3.26Å; C276-K278 PolarHBondContact O-N 2.86Å; K278-S281 PolarHBondContact O-N 3.42Å; K278-A282 VanDerWaalsContact O-CB 3.32Å; K278-A282 WeakPolarHBondContact O-CB 3.21Å; K278-A282 PolarHBondContact O-N 2.86Å |
| 279 | E | 96.8 | Very high | 96 | Very high | 113 Ų | 113 | 90.8 Ų | 90.8 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -55.7 | 176.4 | -171.2 | -163.2 | 151.3 | 0 | 0 | 111 | A275 C276 S281 A282 T283 | A275-E279 WeakPolarHBondContact O-CB 3.49Å; A275-E279 PolarHBondContact O-N 3.37Å; C276-E279 PolarHBondContact O-N 3.33Å; E279-S281 VanDerWaalsContact C-N 3.29Å; E279-S281 PolarHBondContact O-N 3.41Å; E279-A282 WeakPolarHBondContact O-CB 3.34Å; E279-A282 PolarHBondContact O-N 3.2Å; E279-A282 VanDerWaalsContact O-N 3.07Å; E279-T283 PolarHBondContact O-N 2.95Å; E279-T283 PolarHBondContact O-OG1 3.39Å; E279-T283 VanDerWaalsContact O-OG1 3.06Å |
| 280 | K | 96.6 | Very high | 96 | Very high | 125 Ų | 125 | 89.7 Ų | 89.7 | 54% | 0.543 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 179.4 | -63.1 | -52.6 | 178.5 | -156.6 | 0 | 112.5 | C276 L284 | C276-K280 WeakPolarHBondContact O-CG 3.42Å; C276-K280 PolarHBondContact O-N 2.92Å; K280-L284 VanDerWaalsContact O-CB 3.3Å; K280-L284 WeakPolarHBondContact O-CB 3.32Å; K280-L284 PolarHBondContact O-N 2.89Å |
| 281 | S | 95.7 | Very high | 96.1 | Very high | 47 Ų | 47 | 89.6 Ų | 89.6 | 33% | 0.329 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | F277 K278 E279 Q285 | F277-S281 WeakPolarHBondContact CE1-OG 3.29Å; F277-S281 WeakPolarHBondContact O-CB 3.38Å; F277-S281 PolarHBondContact O-N 3.34Å; F277-S281 PolarHBondContact O-OG 2.88Å; K278-S281 PolarHBondContact O-N 3.42Å; E279-S281 VanDerWaalsContact C-N 3.29Å; E279-S281 PolarHBondContact O-N 3.41Å; S281-Q285 VanDerWaalsContact O-CB 3.29Å; S281-Q285 WeakPolarHBondContact O-CB 3.38Å; S281-Q285 PolarHBondContact O-N 2.87Å |
| 282 | A | 96.6 | Very high | 96.1 | Very high | 60 Ų | 60 | 87.7 Ų | 87.7 | 50% | 0.496 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | K278 E279 L284 Q285 Q286 | K278-A282 VanDerWaalsContact O-CB 3.32Å; K278-A282 WeakPolarHBondContact O-CB 3.21Å; K278-A282 PolarHBondContact O-N 2.86Å; E279-A282 WeakPolarHBondContact O-CB 3.34Å; E279-A282 PolarHBondContact O-N 3.2Å; E279-A282 VanDerWaalsContact O-N 3.07Å; A282-L284 PolarHBondContact O-N 3.49Å; A282-Q285 PolarHBondContact O-N 2.99Å; A282-Q286 WeakPolarHBondContact O-CB 3.3Å; A282-Q286 PolarHBondContact O-N 3.42Å |
| 283 | T | 96.1 | Very high | 96.1 | Very high | 65 Ų | 65 | 85.4 Ų | 85.4 | 40% | 0.399 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 174.3 | -48.5 | 0 | 0 | 0 | 0 | 111.4 | E279 Q286 Q287 | E279-T283 PolarHBondContact O-N 2.95Å; E279-T283 PolarHBondContact O-OG1 3.39Å; E279-T283 VanDerWaalsContact O-OG1 3.06Å; T283-Q286 PolarHBondContact O-N 2.98Å; T283-Q287 WeakPolarHBondContact O-CG 3.46Å; T283-Q287 PolarHBondContact O-N 3.24Å |
| 284 | L | 96.5 | Very high | 96.1 | Very high | 98 Ų | 98 | 85.6 Ų | 85.6 | 51% | 0.513 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 177.9 | -178.7 | 62.6 | 0 | 0 | 0 | 111.9 | K280 A282 Q286 Q287 I288 | K280-L284 VanDerWaalsContact O-CB 3.3Å; K280-L284 WeakPolarHBondContact O-CB 3.32Å; K280-L284 PolarHBondContact O-N 2.89Å; A282-L284 PolarHBondContact O-N 3.49Å; L284-Q286 VanDerWaalsContact C-N 3.32Å; L284-Q286 PolarHBondContact O-N 3.33Å; L284-Q287 PolarHBondContact O-N 3.29Å; L284-I288 HydrophobicContact CD1-CD1 4.17Å; L284-I288 HydrophobicContact CD1-CG1 4.4Å; L284-I288 HydrophobicContact CG-CD1 3.92Å; L284-I288 WeakPolarHBondContact O-CB 3.41Å; L284-I288 VanDerWaalsContact O-CG1 3.24Å; L284-I288 WeakPolarHBondContact O-CG1 3.36Å; L284-I288 PolarHBondContact O-N 3.48Å |
| 285 | Q | 96.2 | Very high | 96.2 | Very high | 116 Ų | 116 | 85.2 Ų | 85.2 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -35.1 | 176.9 | -175.2 | 59 | 58.7 | 0 | 0 | 112.2 | S281 A282 S289 | S281-Q285 VanDerWaalsContact O-CB 3.29Å; S281-Q285 WeakPolarHBondContact O-CB 3.38Å; S281-Q285 PolarHBondContact O-N 2.87Å; A282-Q285 PolarHBondContact O-N 2.99Å; Q285-S289 WeakPolarHBondContact O-CB 3.48Å; Q285-S289 PolarHBondContact O-N 3.05Å; Q285-S289 VanDerWaalsContact O-N 3.16Å; Q285-S289 PolarHBondContact O-OG 3.03Å |
| 286 | Q | 96.3 | Very high | 96.2 | Very high | 106 Ų | 106 | 86.4 Ų | 86.4 | 50% | 0.495 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.9 | -52.3 | 172.6 | -176.6 | 58.7 | 44.4 | 0 | 0 | 110.4 | A282 T283 L284 I288 S289 D290 | A282-Q286 WeakPolarHBondContact O-CB 3.3Å; A282-Q286 PolarHBondContact O-N 3.42Å; T283-Q286 PolarHBondContact O-N 2.98Å; L284-Q286 VanDerWaalsContact C-N 3.32Å; L284-Q286 PolarHBondContact O-N 3.33Å; Q286-I288 VanDerWaalsContact C-N 3.35Å; Q286-I288 PolarHBondContact O-N 3.46Å; Q286-S289 WeakPolarHBondContact O-CA 3.33Å; Q286-S289 WeakPolarHBondContact O-CB 3.44Å; Q286-S289 PolarHBondContact O-N 3.07Å; Q286-D290 WeakPolarHBondContact CG-OD2 3.24Å; Q286-D290 PolarHBondContact NE2-OD1 3.09Å; Q286-D290 PolarHBondContact NE2-OD2 3.25Å; Q286-D290 PolarHBondContact O-N 2.96Å |
| 287 | Q | 96.1 | Very high | 96.2 | Very high | 107 Ų | 107 | 85.5 Ų | 85.5 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -55.3 | -45.4 | 176.5 | -74.9 | 176.9 | -26.5 | 0 | 0 | 112.7 | T283 L284 S289 D290 D291 | T283-Q287 WeakPolarHBondContact O-CG 3.46Å; T283-Q287 PolarHBondContact O-N 3.24Å; L284-Q287 PolarHBondContact O-N 3.29Å; Q287-S289 PolarHBondContact O-N 3.17Å; Q287-D290 PolarHBondContact O-N 2.96Å; Q287-D291 WeakPolarHBondContact O-CB 3.5Å; Q287-D291 PolarHBondContact O-N 2.6Å |
| 288 | I | 96.3 | Very high | 96.2 | Very high | 90 Ų | 90 | 81.1 Ų | 81.1 | 46% | 0.462 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.1 | -35.3 | 175.6 | -71.4 | 166.1 | 0 | 0 | 0 | 111.7 | L284 Q286 A292 | L284-I288 HydrophobicContact CD1-CD1 4.17Å; L284-I288 HydrophobicContact CD1-CG1 4.4Å; L284-I288 HydrophobicContact CG-CD1 3.92Å; L284-I288 WeakPolarHBondContact O-CB 3.41Å; L284-I288 VanDerWaalsContact O-CG1 3.24Å; L284-I288 WeakPolarHBondContact O-CG1 3.36Å; L284-I288 PolarHBondContact O-N 3.48Å; Q286-I288 VanDerWaalsContact C-N 3.35Å; Q286-I288 PolarHBondContact O-N 3.46Å; I288-A292 WeakPolarHBondContact O-CB 3.32Å; I288-A292 PolarHBondContact O-N 3.38Å |
| 289 | S | 96.3 | Very high | 96.2 | Very high | 57 Ų | 57 | 83.3 Ų | 83.3 | 40% | 0.399 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -74 | -40.5 | 179.3 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | Q285 Q286 Q287 A292 G293 | Q285-S289 WeakPolarHBondContact O-CB 3.48Å; Q285-S289 PolarHBondContact O-N 3.05Å; Q285-S289 VanDerWaalsContact O-N 3.16Å; Q285-S289 PolarHBondContact O-OG 3.03Å; Q286-S289 WeakPolarHBondContact O-CA 3.33Å; Q286-S289 WeakPolarHBondContact O-CB 3.44Å; Q286-S289 PolarHBondContact O-N 3.07Å; Q287-S289 PolarHBondContact O-N 3.17Å; S289-A292 PolarHBondContact O-N 3.29Å; S289-G293 PolarHBondContact O-N 3.06Å |
| 290 | D | 95.5 | Very high | 96.2 | Very high | 89 Ų | 89 | 82.4 Ų | 82.4 | 48% | 0.476 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.8 | -44.2 | 177.2 | -63.6 | -31.1 | 0 | 0 | 0 | 111.3 | Q286 Q287 A292 G293 A294 | Q286-D290 WeakPolarHBondContact CG-OD2 3.24Å; Q286-D290 PolarHBondContact NE2-OD1 3.09Å; Q286-D290 PolarHBondContact NE2-OD2 3.25Å; Q286-D290 PolarHBondContact O-N 2.96Å; Q287-D290 PolarHBondContact O-N 2.96Å; D290-A292 PolarHBondContact O-N 3.4Å; D290-G293 CarbonylContact O-C 3.57Å; D290-G293 WeakPolarHBondContact O-CA 3.49Å; D290-G293 PolarHBondContact O-N 3.45Å; D290-G293 VanDerWaalsContact O-N 3.12Å; D290-A294 PolarHBondContact O-N 3.4Å |
| 291 | D | 95.9 | Very high | 96.2 | Very high | 111 Ų | 111 | 82.5 Ų | 82.5 | 59% | 0.594 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 174 | -77.8 | -14.1 | 0 | 0 | 0 | 111.8 | Q287 G293 A294 A295 | Q287-D291 WeakPolarHBondContact O-CB 3.5Å; Q287-D291 PolarHBondContact O-N 2.6Å; D291-G293 VanDerWaalsContact C-N 3.33Å; D291-A294 PolarHBondContact O-N 2.85Å; D291-A295 VanDerWaalsContact O-CB 3.25Å; D291-A295 WeakPolarHBondContact O-CB 3.37Å; D291-A295 PolarHBondContact O-N 2.93Å |
| 292 | A | 96 | Very high | 96.3 | Very high | 52 Ų | 52 | 85.9 Ų | 85.9 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I288 S289 D290 T296 | I288-A292 WeakPolarHBondContact O-CB 3.32Å; I288-A292 PolarHBondContact O-N 3.38Å; S289-A292 PolarHBondContact O-N 3.29Å; D290-A292 PolarHBondContact O-N 3.4Å; A292-T296 WeakPolarHBondContact O-CB 3.26Å; A292-T296 WeakPolarHBondContact O-CG2 3.32Å; A292-T296 PolarHBondContact O-N 3.13Å; A292-T296 PolarHBondContact O-OG1 3.17Å |
| 293 | G | 95.7 | Very high | 96.3 | Very high | 36 Ų | 36 | 87.2 Ų | 87.2 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -52.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | S289 D290 D291 A295 T296 A297 | S289-G293 PolarHBondContact O-N 3.06Å; D290-G293 CarbonylContact O-C 3.57Å; D290-G293 WeakPolarHBondContact O-CA 3.49Å; D290-G293 PolarHBondContact O-N 3.45Å; D290-G293 VanDerWaalsContact O-N 3.12Å; D291-G293 VanDerWaalsContact C-N 3.33Å; G293-A295 PolarHBondContact O-N 2.88Å; G293-T296 PolarHBondContact O-N 3.07Å; G293-T296 PolarHBondContact O-OG1 2.89Å; G293-A297 WeakPolarHBondContact O-CB 3.49Å; G293-A297 PolarHBondContact O-N 3.35Å |
| 294 | A | 95.4 | Very high | 96.4 | Very high | 61 Ų | 61 | 89.3 Ų | 89.3 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | D290 D291 T296 A297 A298 | D290-A294 PolarHBondContact O-N 3.4Å; D291-A294 PolarHBondContact O-N 2.85Å; A294-T296 VanDerWaalsContact C-N 3.35Å; A294-T296 PolarHBondContact O-N 2.91Å; A294-A297 PolarHBondContact O-N 3.16Å; A294-A298 WeakPolarHBondContact O-CB 3.45Å; A294-A298 PolarHBondContact O-N 3.37Å |
| 295 | A | 96.3 | Very high | 96.3 | Very high | 65 Ų | 65 | 90.4 Ų | 90.4 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | D291 G293 R299 | D291-A295 VanDerWaalsContact O-CB 3.25Å; D291-A295 WeakPolarHBondContact O-CB 3.37Å; D291-A295 PolarHBondContact O-N 2.93Å; G293-A295 PolarHBondContact O-N 2.88Å; A295-R299 VanDerWaalsContact O-CB 3.27Å; A295-R299 WeakPolarHBondContact O-CB 3.33Å; A295-R299 PolarHBondContact O-N 3.2Å; A295-R299 VanDerWaalsContact O-N 3.11Å |
| 296 | T | 96.9 | Very high | 96.3 | Very high | 81 Ų | 81 | 90.8 Ų | 90.8 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.8 | -36.8 | 175.1 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | A292 G293 A294 R299 N300 | A292-T296 WeakPolarHBondContact O-CB 3.26Å; A292-T296 WeakPolarHBondContact O-CG2 3.32Å; A292-T296 PolarHBondContact O-N 3.13Å; A292-T296 PolarHBondContact O-OG1 3.17Å; G293-T296 PolarHBondContact O-N 3.07Å; G293-T296 PolarHBondContact O-OG1 2.89Å; A294-T296 VanDerWaalsContact C-N 3.35Å; A294-T296 PolarHBondContact O-N 2.91Å; T296-R299 PolarHBondContact O-N 2.97Å; T296-N300 PolarHBondContact O-N 2.9Å; T296-N300 PolarHBondContact O-ND2 3.29Å |
| 297 | A | 96.6 | Very high | 96.3 | Very high | 46 Ų | 46 | 93.6 Ų | 93.6 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -54.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G293 A294 R299 N300 E301 | G293-A297 WeakPolarHBondContact O-CB 3.49Å; G293-A297 PolarHBondContact O-N 3.35Å; A294-A297 PolarHBondContact O-N 3.16Å; A297-R299 VanDerWaalsContact C-N 3.25Å; A297-R299 PolarHBondContact O-N 3.23Å; A297-N300 WeakPolarHBondContact O-CA 3.46Å; A297-N300 WeakPolarHBondContact O-CB 3.5Å; A297-N300 PolarHBondContact O-N 3.44Å; A297-E301 PolarHBondContact O-N 3.14Å |
| 298 | A | 96.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 91.6 Ų | 91.6 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -34.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A294 L302 | A294-A298 WeakPolarHBondContact O-CB 3.45Å; A294-A298 PolarHBondContact O-N 3.37Å; A298-L302 WeakPolarHBondContact O-CB 3.46Å; A298-L302 PolarHBondContact O-N 2.88Å |
| 299 | R | 97.4 | Very high | 96.3 | Very high | 170 Ų | 170 | 92.4 Ų | 92.4 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66 | -39.3 | 173.4 | -175.8 | -176.9 | 177.7 | 87 | 2.9 | 112.2 | A295 T296 A297 M303 | A295-R299 VanDerWaalsContact O-CB 3.27Å; A295-R299 WeakPolarHBondContact O-CB 3.33Å; A295-R299 PolarHBondContact O-N 3.2Å; A295-R299 VanDerWaalsContact O-N 3.11Å; T296-R299 PolarHBondContact O-N 2.97Å; A297-R299 VanDerWaalsContact C-N 3.25Å; A297-R299 PolarHBondContact O-N 3.23Å; R299-M303 HydrophobicContact CG-CE 4.38Å; R299-M303 WeakPolarHBondContact O-CG 3.37Å; R299-M303 PolarHBondContact O-N 3.42Å |
| 300 | N | 96.8 | Very high | 96.2 | Very high | 95 Ų | 95 | 94.4 Ų | 94.4 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.2 | -43.5 | 177.3 | -68.4 | -22.8 | 0 | 0 | 0 | 111.2 | T296 A297 L302 M303 E304 | T296-N300 PolarHBondContact O-N 2.9Å; T296-N300 PolarHBondContact O-ND2 3.29Å; A297-N300 WeakPolarHBondContact O-CA 3.46Å; A297-N300 WeakPolarHBondContact O-CB 3.5Å; A297-N300 PolarHBondContact O-N 3.44Å; N300-L302 PolarHBondContact O-N 3.05Å; N300-M303 PolarHBondContact O-N 3.47Å; N300-M303 VanDerWaalsContact O-N 3.16Å; N300-M303 WeakPolarHBondContact OD1-CE 3.35Å; N300-E304 PolarHBondContact O-N 2.78Å |
| 301 | E | 96.4 | Very high | 96.1 | Very high | 127 Ų | 127 | 93.6 Ų | 93.6 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.7 | -46.4 | 173.5 | -70 | 173 | -175.4 | 0 | 0 | 111.8 | A297 M303 E304 L305 | A297-E301 PolarHBondContact O-N 3.14Å; E301-M303 VanDerWaalsContact C-N 3.32Å; E301-M303 PolarHBondContact O-N 2.99Å; E301-E304 PolarHBondContact O-N 3.32Å; E301-E304 VanDerWaalsContact O-N 3.13Å; E301-L305 VanDerWaalsContact O-CD1 3.24Å; E301-L305 WeakPolarHBondContact O-CD1 3.22Å; E301-L305 PolarHBondContact O-N 3.32Å |
| 302 | L | 97.2 | Very high | 95.8 | Very high | 118 Ų | 118 | 93.5 Ų | 93.5 | 62% | 0.618 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.5 | -40.9 | 175.7 | -161.5 | 173.4 | 0 | 0 | 0 | 111.5 | A298 N300 E304 K306 | A298-L302 WeakPolarHBondContact O-CB 3.46Å; A298-L302 PolarHBondContact O-N 2.88Å; N300-L302 PolarHBondContact O-N 3.05Å; L302-E304 VanDerWaalsContact C-N 3.34Å; L302-E304 PolarHBondContact O-N 3.02Å; L302-K306 VanDerWaalsContact O-CB 3.3Å; L302-K306 WeakPolarHBondContact O-CB 3.45Å; L302-K306 PolarHBondContact O-N 3.47Å |
| 303 | M | 97.1 | Very high | 95.6 | Very high | 87 Ų | 87 | 95.9 Ų | 95.9 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 175.4 | -72.8 | -172.9 | -58.8 | 0 | 0 | 112.4 | R299 N300 E301 K306 R307 | R299-M303 HydrophobicContact CG-CE 4.38Å; R299-M303 WeakPolarHBondContact O-CG 3.37Å; R299-M303 PolarHBondContact O-N 3.42Å; N300-M303 PolarHBondContact O-N 3.47Å; N300-M303 VanDerWaalsContact O-N 3.16Å; N300-M303 WeakPolarHBondContact OD1-CE 3.35Å; E301-M303 VanDerWaalsContact C-N 3.32Å; E301-M303 PolarHBondContact O-N 2.99Å; M303-K306 PolarHBondContact O-N 3.31Å; M303-R307 WeakPolarHBondContact O-CG 3.26Å; M303-R307 PolarHBondContact O-N 3.46Å |
| 304 | E | 96.9 | Very high | 95.5 | Very high | 109 Ų | 109 | 99.5 Ų | 99.5 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.2 | -44.3 | 178.2 | -164.3 | 57.3 | -153.9 | 0 | 0 | 111.9 | N300 E301 L302 K306 R307 T308 | N300-E304 PolarHBondContact O-N 2.78Å; E301-E304 PolarHBondContact O-N 3.32Å; E301-E304 VanDerWaalsContact O-N 3.13Å; L302-E304 VanDerWaalsContact C-N 3.34Å; L302-E304 PolarHBondContact O-N 3.02Å; E304-K306 PolarHBondContact O-N 2.94Å; E304-R307 WeakPolarHBondContact O-CB 3.43Å; E304-R307 PolarHBondContact O-N 2.84Å; E304-T308 PolarHBondContact O-N 2.85Å; E304-T308 PolarHBondContact O-OG1 3.31Å |
| 305 | L | 95.6 | Very high | 95.4 | Very high | 121 Ų | 121 | 101.4 Ų | 101.4 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.7 | -37 | 170.1 | -92.9 | 79.4 | 0 | 0 | 0 | 111.9 | E301 T308 L309 | E301-L305 VanDerWaalsContact O-CD1 3.24Å; E301-L305 WeakPolarHBondContact O-CD1 3.22Å; E301-L305 PolarHBondContact O-N 3.32Å; L305-T308 WeakPolarHBondContact CA-OG1 3.37Å; L305-T308 PolarHBondContact O-OG1 3.24Å; L305-T308 VanDerWaalsContact O-OG1 3.06Å; L305-L309 VanDerWaalsContact O-CB 3.27Å; L305-L309 WeakPolarHBondContact O-CB 3.48Å; L305-L309 PolarHBondContact O-N 2.89Å |
| 306 | K | 95.9 | Very high | 95.1 | Very high | 124 Ų | 124 | 103.7 Ų | 103.7 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.7 | -37 | 175.3 | -173.8 | 173.9 | -179.7 | 176.8 | 0 | 112.2 | L302 M303 E304 Q310 | L302-K306 VanDerWaalsContact O-CB 3.3Å; L302-K306 WeakPolarHBondContact O-CB 3.45Å; L302-K306 PolarHBondContact O-N 3.47Å; M303-K306 PolarHBondContact O-N 3.31Å; E304-K306 PolarHBondContact O-N 2.94Å; K306-Q310 VanDerWaalsContact O-CG 3.28Å; K306-Q310 WeakPolarHBondContact O-CG 3.41Å; K306-Q310 PolarHBondContact O-N 3.05Å; K306-Q310 VanDerWaalsContact O-N 3.13Å |
| 307 | R | 95.9 | Very high | 94.9 | Very high | 166 Ų | 166 | 105.2 Ų | 105.2 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.1 | -48.3 | 174.2 | -74.3 | -173.6 | 116.1 | 82.3 | 4.3 | 111.4 | M303 E304 L309 Q310 T311 | M303-R307 WeakPolarHBondContact O-CG 3.26Å; M303-R307 PolarHBondContact O-N 3.46Å; E304-R307 WeakPolarHBondContact O-CB 3.43Å; E304-R307 PolarHBondContact O-N 2.84Å; R307-L309 PolarHBondContact O-N 3.47Å; R307-Q310 PolarHBondContact O-N 3.41Å; R307-T311 PolarHBondContact O-N 2.85Å; R307-T311 PolarHBondContact O-OG1 3.06Å |
| 308 | T | 95.3 | Very high | 94.6 | Very high | 65 Ų | 65 | 106.4 Ų | 106.4 | 40% | 0.399 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | -179.7 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | E304 L305 Q310 T311 L312 | E304-T308 PolarHBondContact O-N 2.85Å; E304-T308 PolarHBondContact O-OG1 3.31Å; L305-T308 WeakPolarHBondContact CA-OG1 3.37Å; L305-T308 PolarHBondContact O-OG1 3.24Å; L305-T308 VanDerWaalsContact O-OG1 3.06Å; T308-Q310 PolarHBondContact O-N 3.01Å; T308-T311 PolarHBondContact O-N 3.12Å; T308-L312 WeakPolarHBondContact O-CB 3.31Å; T308-L312 WeakPolarHBondContact O-CG 3.36Å; T308-L312 PolarHBondContact O-N 3.02Å |
| 309 | L | 96.1 | Very high | 94.2 | Very high | 106 Ų | 106 | 109.2 Ų | 109.2 | 56% | 0.555 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.7 | -47.6 | 171.8 | -172.6 | 161.2 | 0 | 0 | 0 | 111.5 | L305 R307 T311 L312 E313 | L305-L309 VanDerWaalsContact O-CB 3.27Å; L305-L309 WeakPolarHBondContact O-CB 3.48Å; L305-L309 PolarHBondContact O-N 2.89Å; R307-L309 PolarHBondContact O-N 3.47Å; L309-T311 PolarHBondContact O-N 2.88Å; L309-L312 PolarHBondContact O-N 3.39Å; L309-E313 WeakPolarHBondContact O-CB 3.31Å; L309-E313 PolarHBondContact O-N 3.18Å |
| 310 | Q | 95.2 | Very high | 93.8 | Very high | 99 Ų | 99 | 104 Ų | 104 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 178.3 | -74.8 | -178.5 | -35.7 | 0 | 0 | 112.8 | K306 R307 T308 E313 I314 | K306-Q310 VanDerWaalsContact O-CG 3.28Å; K306-Q310 WeakPolarHBondContact O-CG 3.41Å; K306-Q310 PolarHBondContact O-N 3.05Å; K306-Q310 VanDerWaalsContact O-N 3.13Å; R307-Q310 PolarHBondContact O-N 3.41Å; T308-Q310 PolarHBondContact O-N 3.01Å; Q310-E313 PolarHBondContact O-N 3.13Å; Q310-I314 WeakPolarHBondContact O-CD1 3.37Å; Q310-I314 VanDerWaalsContact O-CG1 3.27Å; Q310-I314 WeakPolarHBondContact O-CG1 3.42Å; Q310-I314 PolarHBondContact O-N 2.94Å; Q310-I314 VanDerWaalsContact O-N 3.09Å |
| 311 | T | 94 | Very high | 93.6 | Very high | 73 Ų | 73 | 102.2 Ų | 102.2 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -49.4 | 173.9 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | R307 T308 L309 E313 I314 E315 | R307-T311 PolarHBondContact O-N 2.85Å; R307-T311 PolarHBondContact O-OG1 3.06Å; T308-T311 PolarHBondContact O-N 3.12Å; L309-T311 PolarHBondContact O-N 2.88Å; T311-E313 VanDerWaalsContact C-N 3.31Å; T311-E313 PolarHBondContact O-N 3.39Å; T311-I314 PolarHBondContact O-N 3.38Å; T311-I314 VanDerWaalsContact O-N 3.16Å; T311-E315 WeakPolarHBondContact O-CG 3.38Å; T311-E315 PolarHBondContact O-N 3.36Å |
| 312 | L | 89.5 | Confident | 93.3 | Very high | 108 Ų | 108 | 101 Ų | 101 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.8 | -36.6 | 178.3 | -72.8 | 166.6 | 0 | 0 | 0 | 112.5 | T308 L309 E315 L316 | T308-L312 WeakPolarHBondContact O-CB 3.31Å; T308-L312 WeakPolarHBondContact O-CG 3.36Å; T308-L312 PolarHBondContact O-N 3.02Å; L309-L312 PolarHBondContact O-N 3.39Å; L312-E315 PolarHBondContact O-N 3.06Å; L312-L316 VanDerWaalsContact O-CB 3.3Å; L312-L316 WeakPolarHBondContact O-CB 3.45Å; L312-L316 PolarHBondContact O-N 3.19Å |
| 313 | E | 91.8 | Very high | 93 | Very high | 103 Ų | 103 | 101.2 Ų | 101.2 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 175.5 | -173.5 | 172.8 | -161.6 | 0 | 0 | 111.8 | L309 Q310 T311 L316 Q317 | L309-E313 WeakPolarHBondContact O-CB 3.31Å; L309-E313 PolarHBondContact O-N 3.18Å; Q310-E313 PolarHBondContact O-N 3.13Å; T311-E313 VanDerWaalsContact C-N 3.31Å; T311-E313 PolarHBondContact O-N 3.39Å; E313-L316 PolarHBondContact O-N 2.9Å; E313-Q317 WeakPolarHBondContact O-CB 3.49Å; E313-Q317 VanDerWaalsContact O-CG 3.26Å; E313-Q317 WeakPolarHBondContact O-CG 3.36Å; E313-Q317 PolarHBondContact O-N 3.47Å |
| 314 | I | 93.8 | Very high | 92.7 | Very high | 112 Ų | 112 | 103.1 Ų | 103.1 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.6 | -41.3 | 174.4 | -68.1 | 164.2 | 0 | 0 | 0 | 111.1 | Q310 T311 Q317 S318 | Q310-I314 WeakPolarHBondContact O-CD1 3.37Å; Q310-I314 VanDerWaalsContact O-CG1 3.27Å; Q310-I314 WeakPolarHBondContact O-CG1 3.42Å; Q310-I314 PolarHBondContact O-N 2.94Å; Q310-I314 VanDerWaalsContact O-N 3.09Å; T311-I314 PolarHBondContact O-N 3.38Å; T311-I314 VanDerWaalsContact O-N 3.16Å; I314-Q317 PolarHBondContact O-N 3.37Å; I314-S318 VanDerWaalsContact O-CB 3.32Å; I314-S318 WeakPolarHBondContact O-CB 3.47Å; I314-S318 PolarHBondContact O-N 2.95Å |
| 315 | E | 93.4 | Very high | 92.5 | Very high | 101 Ų | 101 | 101.5 Ų | 101.5 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.1 | -73.6 | 175.2 | -178.3 | 0 | 0 | 111.4 | T311 L312 Q317 S318 I319 | T311-E315 WeakPolarHBondContact O-CG 3.38Å; T311-E315 PolarHBondContact O-N 3.36Å; L312-E315 PolarHBondContact O-N 3.06Å; E315-Q317 PolarHBondContact O-N 2.93Å; E315-S318 WeakPolarHBondContact O-CB 3.42Å; E315-S318 PolarHBondContact O-N 2.85Å; E315-I319 WeakPolarHBondContact O-CG1 3.37Å; E315-I319 PolarHBondContact O-N 3.17Å |
| 316 | L | 88.8 | Confident | 92.2 | Very high | 112 Ų | 112 | 103.4 Ų | 103.4 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.7 | -44.8 | 174.7 | -176.1 | 155 | 0 | 0 | 0 | 111.7 | L312 E313 S320 | L312-L316 VanDerWaalsContact O-CB 3.3Å; L312-L316 WeakPolarHBondContact O-CB 3.45Å; L312-L316 PolarHBondContact O-N 3.19Å; E313-L316 PolarHBondContact O-N 2.9Å; L316-S320 VanDerWaalsContact O-CB 3.28Å; L316-S320 WeakPolarHBondContact O-CB 3.41Å; L316-S320 PolarHBondContact O-N 3.46Å; L316-S320 PolarHBondContact O-OG 3.38Å |
| 317 | Q | 92.3 | Very high | 92 | Very high | 113 Ų | 113 | 102.4 Ų | 102.4 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 175.4 | -73.4 | 174.4 | 16.4 | 0 | 0 | 111.8 | E313 I314 E315 S320 A321 | E313-Q317 WeakPolarHBondContact O-CB 3.49Å; E313-Q317 VanDerWaalsContact O-CG 3.26Å; E313-Q317 WeakPolarHBondContact O-CG 3.36Å; E313-Q317 PolarHBondContact O-N 3.47Å; I314-Q317 PolarHBondContact O-N 3.37Å; E315-Q317 PolarHBondContact O-N 2.93Å; Q317-S320 PolarHBondContact O-N 2.99Å; Q317-A321 WeakPolarHBondContact O-CB 3.37Å; Q317-A321 PolarHBondContact O-N 3.37Å |
| 318 | S | 90.3 | Very high | 91.8 | Very high | 71 Ų | 71 | 97.8 Ų | 97.8 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 177.3 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | I314 E315 S320 A321 M322 | I314-S318 VanDerWaalsContact O-CB 3.32Å; I314-S318 WeakPolarHBondContact O-CB 3.47Å; I314-S318 PolarHBondContact O-N 2.95Å; E315-S318 WeakPolarHBondContact O-CB 3.42Å; E315-S318 PolarHBondContact O-N 2.85Å; S318-S320 VanDerWaalsContact C-N 3.31Å; S318-S320 PolarHBondContact O-N 3.41Å; S318-A321 PolarHBondContact O-N 2.94Å; S318-M322 WeakPolarHBondContact O-CB 3.42Å; S318-M322 PolarHBondContact O-N 3.49Å |
| 319 | I | 88.3 | Confident | 91.7 | Very high | 113 Ų | 113 | 97.6 Ų | 97.6 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -38 | 176.8 | -67.4 | 167 | 0 | 0 | 0 | 110.6 | E315 M322 K323 | E315-I319 WeakPolarHBondContact O-CG1 3.37Å; E315-I319 PolarHBondContact O-N 3.17Å; I319-M322 PolarHBondContact O-N 3.08Å; I319-K323 WeakPolarHBondContact O-CB 3.33Å; I319-K323 PolarHBondContact O-N 3.35Å |
| 320 | S | 89.6 | Confident | 91.4 | Very high | 62 Ų | 62 | 97.1 Ų | 97.1 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 176.3 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | L316 Q317 S318 K323 Q324 | L316-S320 VanDerWaalsContact O-CB 3.28Å; L316-S320 WeakPolarHBondContact O-CB 3.41Å; L316-S320 PolarHBondContact O-N 3.46Å; L316-S320 PolarHBondContact O-OG 3.38Å; Q317-S320 PolarHBondContact O-N 2.99Å; S318-S320 VanDerWaalsContact C-N 3.31Å; S318-S320 PolarHBondContact O-N 3.41Å; S320-K323 PolarHBondContact O-N 2.95Å; S320-Q324 PolarHBondContact O-N 3.31Å |
| 321 | A | 91.7 | Very high | 91.3 | Very high | 57 Ų | 57 | 95 Ų | 95 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q317 S318 Q324 S325 | Q317-A321 WeakPolarHBondContact O-CB 3.37Å; Q317-A321 PolarHBondContact O-N 3.37Å; S318-A321 PolarHBondContact O-N 2.94Å; A321-Q324 PolarHBondContact O-N 2.94Å; A321-S325 PolarHBondContact O-N 2.91Å |
| 322 | M | 90.4 | Very high | 91.4 | Very high | 102 Ų | 102 | 97.9 Ų | 97.9 | 50% | 0.502 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 174.3 | -174.7 | -176.5 | -65.3 | 0 | 0 | 111.5 | S318 I319 S325 Y326 | S318-M322 WeakPolarHBondContact O-CB 3.42Å; S318-M322 PolarHBondContact O-N 3.49Å; I319-M322 PolarHBondContact O-N 3.08Å; M322-S325 WeakPolarHBondContact O-CB 3.34Å; M322-S325 PolarHBondContact O-N 3.37Å; M322-Y326 HydrophobicContact CG-CD2 4Å; M322-Y326 HydrophobicContact CG-CE2 3.52Å; M322-Y326 VanDerWaalsContact O-CD2 3.29Å; M322-Y326 WeakPolarHBondContact O-CD2 3.31Å; M322-Y326 PolarHBondContact O-N 3.09Å; M322-Y326 HydrophobicContact SD-CE2 3.98Å |
| 323 | K | 91.6 | Very high | 91.5 | Very high | 121 Ų | 121 | 95.4 Ų | 95.4 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.7 | -50.7 | 173.1 | 178.7 | -172.8 | 163 | -176.9 | 0 | 111.1 | I319 S320 S325 Y326 E327 | I319-K323 WeakPolarHBondContact O-CB 3.33Å; I319-K323 PolarHBondContact O-N 3.35Å; S320-K323 PolarHBondContact O-N 2.95Å; K323-S325 VanDerWaalsContact C-N 3.25Å; K323-S325 PolarHBondContact O-N 2.98Å; K323-Y326 PolarHBondContact O-N 2.86Å; K323-Y326 VanDerWaalsContact O-N 3.1Å; K323-E327 WeakPolarHBondContact CE-OE1 3.5Å; K323-E327 WeakPolarHBondContact CE-OE2 3.46Å; K323-E327 HydrophobicContact CG-CG 4.42Å; K323-E327 IonicContact NZ-OE1 2.88Å; K323-E327 PolarHBondContact NZ-OE1 3.38Å; K323-E327 PolarHBondContact O-N 2.7Å |
| 324 | Q | 90.7 | Very high | 91.6 | Very high | 127 Ų | 127 | 96 Ų | 96 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.3 | -35.9 | -180 | -172.9 | -179.9 | 13.7 | 0 | 0 | 112.3 | S320 A321 S328 | S320-Q324 PolarHBondContact O-N 3.31Å; A321-Q324 PolarHBondContact O-N 2.94Å; Q324-S328 WeakPolarHBondContact O-CB 3.4Å; Q324-S328 PolarHBondContact O-N 2.92Å; Q324-S328 PolarHBondContact O-OG 3.49Å |
| 325 | S | 92.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 92.6 Ų | 92.6 | 53% | 0.531 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | A321 M322 K323 S328 S329 | A321-S325 PolarHBondContact O-N 2.91Å; M322-S325 WeakPolarHBondContact O-CB 3.34Å; M322-S325 PolarHBondContact O-N 3.37Å; K323-S325 VanDerWaalsContact C-N 3.25Å; K323-S325 PolarHBondContact O-N 2.98Å; S325-S328 PolarHBondContact O-N 3.43Å; S325-S329 WeakPolarHBondContact O-CB 3.4Å; S325-S329 PolarHBondContact O-N 3.16Å |
| 326 | Y | 89.7 | Confident | 91.9 | Very high | 160 Ų | 160 | 91.7 Ų | 91.7 | 63% | 0.627 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 176.6 | -70.4 | -50.1 | 0 | 0 | 0 | 113.1 | M322 K323 S328 S329 L330 | M322-Y326 HydrophobicContact CG-CD2 4Å; M322-Y326 HydrophobicContact CG-CE2 3.52Å; M322-Y326 VanDerWaalsContact O-CD2 3.29Å; M322-Y326 WeakPolarHBondContact O-CD2 3.31Å; M322-Y326 PolarHBondContact O-N 3.09Å; M322-Y326 HydrophobicContact SD-CE2 3.98Å; K323-Y326 PolarHBondContact O-N 2.86Å; K323-Y326 VanDerWaalsContact O-N 3.1Å; Y326-S328 VanDerWaalsContact C-N 3.32Å; Y326-S328 PolarHBondContact O-N 3.4Å; Y326-S329 PolarHBondContact O-N 3.07Å; Y326-L330 WeakPolarHBondContact O-CB 3.36Å; Y326-L330 PolarHBondContact O-N 2.9Å |
| 327 | E | 92 | Very high | 92.2 | Very high | 104 Ų | 104 | 94.1 Ų | 94.1 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 174.4 | -72.3 | 176 | 148.8 | 0 | 0 | 111.6 | K323 A331 | K323-E327 WeakPolarHBondContact CE-OE1 3.5Å; K323-E327 WeakPolarHBondContact CE-OE2 3.46Å; K323-E327 HydrophobicContact CG-CG 4.42Å; K323-E327 IonicContact NZ-OE1 2.88Å; K323-E327 PolarHBondContact NZ-OE1 3.38Å; K323-E327 PolarHBondContact O-N 2.7Å; E327-A331 WeakPolarHBondContact O-CB 3.33Å; E327-A331 PolarHBondContact O-N 3.26Å |
| 328 | S | 91.6 | Very high | 92.4 | Very high | 68 Ų | 68 | 96.3 Ų | 96.3 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 176.3 | -56 | 0 | 0 | 0 | 0 | 111.9 | Q324 S325 Y326 A331 E332 | Q324-S328 WeakPolarHBondContact O-CB 3.4Å; Q324-S328 PolarHBondContact O-N 2.92Å; Q324-S328 PolarHBondContact O-OG 3.49Å; S325-S328 PolarHBondContact O-N 3.43Å; Y326-S328 VanDerWaalsContact C-N 3.32Å; Y326-S328 PolarHBondContact O-N 3.4Å; S328-A331 PolarHBondContact O-N 3.08Å; S328-E332 WeakPolarHBondContact O-CB 3.1Å; S328-E332 PolarHBondContact O-N 3.44Å |
| 329 | S | 93.1 | Very high | 92.7 | Very high | 61 Ų | 61 | 95.3 Ų | 95.3 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 177.1 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | S325 Y326 E332 T333 | S325-S329 WeakPolarHBondContact O-CB 3.4Å; S325-S329 PolarHBondContact O-N 3.16Å; Y326-S329 PolarHBondContact O-N 3.07Å; S329-E332 PolarHBondContact O-N 3.32Å; S329-T333 WeakPolarHBondContact O-CG2 3.34Å; S329-T333 PolarHBondContact O-N 2.91Å; S329-T333 PolarHBondContact O-OG1 3.08Å |
| 330 | L | 89.9 | Confident | 93.2 | Very high | 96 Ų | 96 | 94.6 Ų | 94.6 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -53.5 | 174.1 | 179.2 | 62.4 | 0 | 0 | 0 | 110.5 | Y326 E332 T333 E334 | Y326-L330 WeakPolarHBondContact O-CB 3.36Å; Y326-L330 PolarHBondContact O-N 2.9Å; L330-E332 VanDerWaalsContact C-N 3.28Å; L330-E332 PolarHBondContact O-N 2.84Å; L330-T333 PolarHBondContact O-N 3.15Å; L330-T333 PolarHBondContact O-OG1 2.99Å; L330-E334 HydrophobicContact CD1-CG 4.16Å; L330-E334 HydrophobicContact CG-CG 4.37Å; L330-E334 WeakPolarHBondContact O-CG 3.42Å; L330-E334 PolarHBondContact O-N 3.46Å |
| 331 | A | 91.9 | Very high | 93.6 | Very high | 56 Ų | 56 | 97 Ų | 97 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.1 | -36.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | E327 S328 G335 | E327-A331 WeakPolarHBondContact O-CB 3.33Å; E327-A331 PolarHBondContact O-N 3.26Å; S328-A331 PolarHBondContact O-N 3.08Å; A331-G335 PolarHBondContact O-N 3.11Å |
| 332 | E | 96.2 | Very high | 93.9 | Very high | 132 Ų | 132 | 100 Ų | 100 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -46.1 | 172.6 | -177.2 | 177.3 | -172 | 0 | 0 | 111.5 | S328 S329 L330 G335 N336 | S328-E332 WeakPolarHBondContact O-CB 3.1Å; S328-E332 PolarHBondContact O-N 3.44Å; S329-E332 PolarHBondContact O-N 3.32Å; L330-E332 VanDerWaalsContact C-N 3.28Å; L330-E332 PolarHBondContact O-N 2.84Å; E332-G335 PolarHBondContact O-N 3.4Å; E332-N336 WeakPolarHBondContact O-CB 3.4Å; E332-N336 VanDerWaalsContact O-CG 3.24Å; E332-N336 PolarHBondContact O-N 3.19Å; E332-N336 PolarHBondContact O-ND2 3.42Å; E332-N336 VanDerWaalsContact O-ND2 3.11Å |
| 333 | T | 92.5 | Very high | 94.3 | Very high | 57 Ų | 57 | 100.3 Ų | 100.3 | 35% | 0.35 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | S329 L330 N336 Y337 | S329-T333 WeakPolarHBondContact O-CG2 3.34Å; S329-T333 PolarHBondContact O-N 2.91Å; S329-T333 PolarHBondContact O-OG1 3.08Å; L330-T333 PolarHBondContact O-N 3.15Å; L330-T333 PolarHBondContact O-OG1 2.99Å; T333-N336 PolarHBondContact O-N 3.42Å; T333-Y337 WeakPolarHBondContact O-CD2 3.28Å; T333-Y337 PolarHBondContact O-N 2.86Å |
| 334 | E | 93.6 | Very high | 94.6 | Very high | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 175.7 | -70.8 | 178.2 | 161 | 0 | 0 | 111.4 | L330 N336 Y337 Y338 | L330-E334 HydrophobicContact CD1-CG 4.16Å; L330-E334 HydrophobicContact CG-CG 4.37Å; L330-E334 WeakPolarHBondContact O-CG 3.42Å; L330-E334 PolarHBondContact O-N 3.46Å; E334-N336 VanDerWaalsContact C-N 3.34Å; E334-N336 PolarHBondContact O-N 2.95Å; E334-Y337 PolarHBondContact O-N 3.06Å; E334-Y338 WeakPolarHBondContact O-CB 3.38Å; E334-Y338 PolarHBondContact O-N 3.34Å |
| 335 | G | 95.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 97.6 Ų | 97.6 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A331 E332 Y338 S339 | A331-G335 PolarHBondContact O-N 3.11Å; E332-G335 PolarHBondContact O-N 3.4Å; G335-Y338 PolarHBondContact O-N 3.49Å; G335-S339 WeakPolarHBondContact O-CB 3.45Å; G335-S339 PolarHBondContact O-N 3.37Å |
| 336 | N | 97.3 | Very high | 95.2 | Very high | 83 Ų | 83 | 98.2 Ų | 98.2 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 175.2 | -75.6 | -34.4 | 0 | 0 | 0 | 112.3 | E332 T333 E334 Q340 | E332-N336 WeakPolarHBondContact O-CB 3.4Å; E332-N336 VanDerWaalsContact O-CG 3.24Å; E332-N336 PolarHBondContact O-N 3.19Å; E332-N336 PolarHBondContact O-ND2 3.42Å; E332-N336 VanDerWaalsContact O-ND2 3.11Å; T333-N336 PolarHBondContact O-N 3.42Å; E334-N336 VanDerWaalsContact C-N 3.34Å; E334-N336 PolarHBondContact O-N 2.95Å; N336-Q340 WeakPolarHBondContact O-CG 3.28Å; N336-Q340 PolarHBondContact O-N 2.9Å; N336-Q340 PolarHBondContact O-NE2 3.12Å |
| 337 | Y | 96 | Very high | 95.6 | Very high | 162 Ų | 162 | 96.8 Ų | 96.8 | 64% | 0.635 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.8 | -39.6 | 174.7 | -77 | -61 | 0 | 0 | 0 | 112.3 | T333 E334 S339 Q340 L341 | T333-Y337 WeakPolarHBondContact O-CD2 3.28Å; T333-Y337 PolarHBondContact O-N 2.86Å; E334-Y337 PolarHBondContact O-N 3.06Å; Y337-S339 VanDerWaalsContact C-N 3.35Å; Y337-S339 PolarHBondContact O-N 3.17Å; Y337-Q340 PolarHBondContact O-N 3.24Å; Y337-L341 WeakPolarHBondContact O-CB 3.46Å; Y337-L341 PolarHBondContact O-N 3.08Å |
| 338 | Y | 97 | Very high | 95.9 | Very high | 160 Ų | 160 | 95.2 Ų | 95.2 | 63% | 0.627 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.6 | -45.2 | 173.9 | -178 | -91.3 | 0 | 0 | 0 | 111.5 | E334 G335 L341 Q342 | E334-Y338 WeakPolarHBondContact O-CB 3.38Å; E334-Y338 PolarHBondContact O-N 3.34Å; G335-Y338 PolarHBondContact O-N 3.49Å; Y338-L341 PolarHBondContact O-N 2.9Å; Y338-Q342 WeakPolarHBondContact O-CB 3.45Å; Y338-Q342 PolarHBondContact O-N 3.33Å |
| 339 | S | 97.1 | Very high | 96.3 | Very high | 49 Ų | 49 | 98.4 Ų | 98.4 | 34% | 0.343 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | G335 Y337 Q342 Q343 | G335-S339 WeakPolarHBondContact O-CB 3.45Å; G335-S339 PolarHBondContact O-N 3.37Å; Y337-S339 VanDerWaalsContact C-N 3.35Å; Y337-S339 PolarHBondContact O-N 3.17Å; S339-Q342 PolarHBondContact O-N 3.49Å; S339-Q343 VanDerWaalsContact O-CG 3.29Å; S339-Q343 WeakPolarHBondContact O-CG 3.45Å; S339-Q343 PolarHBondContact O-N 2.87Å; S339-Q343 PolarHBondContact O-NE2 2.86Å; S339-Q343 PolarHBondContact OG-NE2 3.35Å |
| 340 | Q | 98 | Very high | 96.5 | Very high | 98 Ų | 98 | 98.3 Ų | 98.3 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 174.9 | -76.1 | 168.4 | 71.4 | 0 | 0 | 112.1 | N336 Y337 Q342 Q343 I344 | N336-Q340 WeakPolarHBondContact O-CG 3.28Å; N336-Q340 PolarHBondContact O-N 2.9Å; N336-Q340 PolarHBondContact O-NE2 3.12Å; Y337-Q340 PolarHBondContact O-N 3.24Å; Q340-Q342 VanDerWaalsContact C-N 3.34Å; Q340-Q342 PolarHBondContact O-N 3.44Å; Q340-Q343 PolarHBondContact O-N 3.26Å; Q340-I344 WeakPolarHBondContact O-CG1 3.47Å; Q340-I344 PolarHBondContact O-N 3.42Å |
| 341 | L | 97.9 | Very high | 96.9 | Very high | 113 Ų | 113 | 102 Ų | 102 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 176.8 | -175.9 | 63.6 | 0 | 0 | 0 | 111.2 | Y337 Y338 Q343 I344 Q345 | Y337-L341 WeakPolarHBondContact O-CB 3.46Å; Y337-L341 PolarHBondContact O-N 3.08Å; Y338-L341 PolarHBondContact O-N 2.9Å; L341-Q343 PolarHBondContact O-N 2.85Å; L341-I344 PolarHBondContact O-N 2.92Å; L341-Q345 WeakPolarHBondContact O-CB 3.46Å; L341-Q345 PolarHBondContact O-N 2.91Å |
| 342 | Q | 98.3 | Very high | 97.2 | Very high | 119 Ų | 119 | 104.8 Ų | 104.8 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 175.2 | -173.1 | 178.1 | 0.3 | 0 | 0 | 112.1 | Y338 S339 Q340 Q345 E346 | Y338-Q342 WeakPolarHBondContact O-CB 3.45Å; Y338-Q342 PolarHBondContact O-N 3.33Å; S339-Q342 PolarHBondContact O-N 3.49Å; Q340-Q342 VanDerWaalsContact C-N 3.34Å; Q340-Q342 PolarHBondContact O-N 3.44Å; Q342-Q345 PolarHBondContact O-N 2.88Å; Q342-E346 PolarHBondContact O-N 3.43Å |
| 343 | Q | 98.4 | Very high | 97.3 | Very high | 110 Ų | 110 | 104.9 Ų | 104.9 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 175.3 | -72.4 | 169.9 | 47.5 | 0 | 0 | 112.2 | S339 Q340 L341 E346 Q347 | S339-Q343 VanDerWaalsContact O-CG 3.29Å; S339-Q343 WeakPolarHBondContact O-CG 3.45Å; S339-Q343 PolarHBondContact O-N 2.87Å; S339-Q343 PolarHBondContact O-NE2 2.86Å; S339-Q343 PolarHBondContact OG-NE2 3.35Å; Q340-Q343 PolarHBondContact O-N 3.26Å; L341-Q343 PolarHBondContact O-N 2.85Å; Q343-E346 PolarHBondContact O-N 3.31Å; Q343-Q347 WeakPolarHBondContact O-CG 3.21Å; Q343-Q347 PolarHBondContact O-N 3.26Å |
| 344 | I | 97.7 | Very high | 97.5 | Very high | 92 Ų | 92 | 106.4 Ų | 106.4 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 175.7 | -67.7 | 166.6 | 0 | 0 | 0 | 110.4 | Q340 L341 E346 Q347 I348 | Q340-I344 WeakPolarHBondContact O-CG1 3.47Å; Q340-I344 PolarHBondContact O-N 3.42Å; L341-I344 PolarHBondContact O-N 2.92Å; I344-E346 VanDerWaalsContact C-N 3.31Å; I344-E346 PolarHBondContact O-N 3.34Å; I344-Q347 PolarHBondContact O-N 2.94Å; I344-I348 HydrophobicContact CG2-CD1 3.93Å; I344-I348 HydrophobicContact CG2-CG1 4.49Å; I344-I348 WeakPolarHBondContact O-CG1 3.43Å; I344-I348 PolarHBondContact O-N 3.24Å |
| 345 | Q | 97.9 | Very high | 97.8 | Very high | 99 Ų | 99 | 105.9 Ų | 105.9 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 177.7 | -172 | 61.9 | 47.7 | 0 | 0 | 112.3 | L341 Q342 I348 R349 | L341-Q345 WeakPolarHBondContact O-CB 3.46Å; L341-Q345 PolarHBondContact O-N 2.91Å; Q342-Q345 PolarHBondContact O-N 2.88Å; Q345-I348 PolarHBondContact O-N 3.05Å; Q345-R349 PolarHBondContact O-N 2.93Å |
| 346 | E | 98.4 | Very high | 97.9 | Very high | 89 Ų | 89 | 108.9 Ų | 108.9 | 42% | 0.416 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 175.5 | -169.2 | 60.4 | -158.8 | 0 | 0 | 111.8 | Q342 Q343 I344 I348 R349 V350 | Q342-E346 PolarHBondContact O-N 3.43Å; Q343-E346 PolarHBondContact O-N 3.31Å; I344-E346 VanDerWaalsContact C-N 3.31Å; I344-E346 PolarHBondContact O-N 3.34Å; E346-I348 VanDerWaalsContact C-N 3.33Å; E346-I348 PolarHBondContact O-N 3.01Å; E346-R349 PolarHBondContact O-N 3.48Å; E346-R349 IonicContact OE2-CZ 3.91Å; E346-R349 IonicContact OE2-NH1 2.7Å; E346-R349 PolarHBondContact OE2-NH1 2.92Å; E346-V350 WeakPolarHBondContact O-CG2 3.44Å; E346-V350 PolarHBondContact O-N 3.32Å |
| 347 | Q | 98.4 | Very high | 97.9 | Very high | 130 Ų | 130 | 110.7 Ų | 110.7 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 172.1 | -71.8 | 178.1 | 23.5 | 0 | 0 | 112 | Q343 I344 R351 | Q343-Q347 WeakPolarHBondContact O-CG 3.21Å; Q343-Q347 PolarHBondContact O-N 3.26Å; I344-Q347 PolarHBondContact O-N 2.94Å; Q347-R351 VanDerWaalsContact O-CG 3.24Å; Q347-R351 WeakPolarHBondContact O-CG 3.16Å; Q347-R351 PolarHBondContact O-N 2.83Å; Q347-R351 VanDerWaalsContact O-N 3.12Å |
| 348 | I | 97.9 | Very high | 98.1 | Very high | 70 Ų | 70 | 107.7 Ų | 107.7 | 36% | 0.359 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -52 | 174.2 | -69.9 | 166.9 | 0 | 0 | 0 | 109.9 | I344 Q345 E346 V350 R351 E352 | I344-I348 HydrophobicContact CG2-CD1 3.93Å; I344-I348 HydrophobicContact CG2-CG1 4.49Å; I344-I348 WeakPolarHBondContact O-CG1 3.43Å; I344-I348 PolarHBondContact O-N 3.24Å; Q345-I348 PolarHBondContact O-N 3.05Å; E346-I348 VanDerWaalsContact C-N 3.33Å; E346-I348 PolarHBondContact O-N 3.01Å; I348-V350 VanDerWaalsContact C-N 3.35Å; I348-V350 PolarHBondContact O-N 2.76Å; I348-R351 WeakPolarHBondContact O-CB 3.49Å; I348-R351 PolarHBondContact O-N 2.87Å; I348-E352 HydrophobicContact CG2-CG 4.15Å; I348-E352 WeakPolarHBondContact CG2-OE1 3.09Å; I348-E352 WeakPolarHBondContact O-CG 3.11Å; I348-E352 PolarHBondContact O-N 3.32Å |
| 349 | R | 98.4 | Very high | 98.1 | Very high | 135 Ų | 135 | 107.2 Ų | 107.2 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -51.5 | -49.8 | 177.2 | 170.4 | -176.8 | -76.2 | 145.1 | -5.9 | 112.3 | Q345 E346 R351 E352 E353 | Q345-R349 PolarHBondContact O-N 2.93Å; E346-R349 PolarHBondContact O-N 3.48Å; E346-R349 IonicContact OE2-CZ 3.91Å; E346-R349 IonicContact OE2-NH1 2.7Å; E346-R349 PolarHBondContact OE2-NH1 2.92Å; R349-R351 VanDerWaalsContact C-N 3.28Å; R349-R351 PolarHBondContact O-N 3.21Å; R349-E352 PolarHBondContact O-N 3.07Å; R349-E353 WeakPolarHBondContact O-CB 3.44Å; R349-E353 PolarHBondContact O-N 2.89Å |
| 350 | V | 98.5 | Very high | 98.2 | Very high | 59 Ų | 59 | 108.2 Ų | 108.2 | 36% | 0.358 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -35.5 | -179.7 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | E346 I348 Q354 | E346-V350 WeakPolarHBondContact O-CG2 3.44Å; E346-V350 PolarHBondContact O-N 3.32Å; I348-V350 VanDerWaalsContact C-N 3.35Å; I348-V350 PolarHBondContact O-N 2.76Å; V350-Q354 WeakPolarHBondContact O-CB 3.3Å; V350-Q354 VanDerWaalsContact O-CG 3.26Å; V350-Q354 WeakPolarHBondContact O-CG 3.45Å; V350-Q354 PolarHBondContact O-N 2.88Å |
| 351 | R | 98.1 | Very high | 98.2 | Very high | 174 Ų | 174 | 108.6 Ų | 108.6 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.8 | -37.8 | 175.8 | -67.1 | -65.1 | -173.4 | 142.8 | 4.9 | 112.5 | Q347 I348 R349 Q354 L355 | Q347-R351 VanDerWaalsContact O-CG 3.24Å; Q347-R351 WeakPolarHBondContact O-CG 3.16Å; Q347-R351 PolarHBondContact O-N 2.83Å; Q347-R351 VanDerWaalsContact O-N 3.12Å; I348-R351 WeakPolarHBondContact O-CB 3.49Å; I348-R351 PolarHBondContact O-N 2.87Å; R349-R351 VanDerWaalsContact C-N 3.28Å; R349-R351 PolarHBondContact O-N 3.21Å; R351-Q354 PolarHBondContact O-N 2.58Å; R351-L355 WeakPolarHBondContact O-CB 3.4Å; R351-L355 WeakPolarHBondContact O-CG 3.07Å; R351-L355 PolarHBondContact O-N 2.87Å |
| 352 | E | 97.8 | Very high | 98.2 | Very high | 115 Ų | 115 | 106.9 Ų | 106.9 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -44 | 173.6 | -71 | 172.8 | 157.1 | 0 | 0 | 111.1 | I348 R349 L355 Q356 | I348-E352 HydrophobicContact CG2-CG 4.15Å; I348-E352 WeakPolarHBondContact CG2-OE1 3.09Å; I348-E352 WeakPolarHBondContact O-CG 3.11Å; I348-E352 PolarHBondContact O-N 3.32Å; R349-E352 PolarHBondContact O-N 3.07Å; E352-L355 PolarHBondContact O-N 3.44Å; E352-Q356 WeakPolarHBondContact O-CB 3.5Å; E352-Q356 PolarHBondContact O-N 2.95Å |
| 353 | E | 98.1 | Very high | 98.1 | Very high | 133 Ų | 133 | 106.9 Ų | 106.9 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 175.3 | -174.1 | 172.7 | -159.5 | 0 | 0 | 111.7 | R349 L355 Q356 Q357 | R349-E353 WeakPolarHBondContact O-CB 3.44Å; R349-E353 PolarHBondContact O-N 2.89Å; E353-L355 PolarHBondContact O-N 2.97Å; E353-Q356 PolarHBondContact O-N 3.42Å; E353-Q357 WeakPolarHBondContact O-CB 3.27Å; E353-Q357 PolarHBondContact O-N 3.48Å |
| 354 | Q | 98.3 | Very high | 98.1 | Very high | 89 Ų | 89 | 103 Ų | 103 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 174.4 | -75.7 | 173.7 | -6.5 | 0 | 0 | 112.9 | V350 R351 Q357 I358 | V350-Q354 WeakPolarHBondContact O-CB 3.3Å; V350-Q354 VanDerWaalsContact O-CG 3.26Å; V350-Q354 WeakPolarHBondContact O-CG 3.45Å; V350-Q354 PolarHBondContact O-N 2.88Å; R351-Q354 PolarHBondContact O-N 2.58Å; Q354-Q357 PolarHBondContact O-N 2.92Å; Q354-I358 WeakPolarHBondContact O-CG1 3.4Å; Q354-I358 PolarHBondContact O-N 3.22Å |
| 355 | L | 98.3 | Very high | 98.1 | Very high | 104 Ų | 104 | 102.8 Ų | 102.8 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 175.7 | -76.3 | 171.3 | 0 | 0 | 0 | 111.6 | R351 E352 E353 R359 | R351-L355 WeakPolarHBondContact O-CB 3.4Å; R351-L355 WeakPolarHBondContact O-CG 3.07Å; R351-L355 PolarHBondContact O-N 2.87Å; E352-L355 PolarHBondContact O-N 3.44Å; E353-L355 PolarHBondContact O-N 2.97Å; L355-R359 VanDerWaalsContact O-CG 3.3Å; L355-R359 WeakPolarHBondContact O-CG 3.44Å; L355-R359 PolarHBondContact O-N 3.47Å |
| 356 | Q | 98.1 | Very high | 98.1 | Very high | 103 Ų | 103 | 104.7 Ų | 104.7 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 176.8 | -172.3 | 58.3 | 26.7 | 0 | 0 | 111.4 | E352 E353 R359 T360 | E352-Q356 WeakPolarHBondContact O-CB 3.5Å; E352-Q356 PolarHBondContact O-N 2.95Å; E353-Q356 PolarHBondContact O-N 3.42Å; Q356-R359 PolarHBondContact O-N 3.42Å; Q356-T360 WeakPolarHBondContact O-CG2 3.24Å; Q356-T360 PolarHBondContact O-N 3.12Å; Q356-T360 PolarHBondContact O-OG1 3.22Å |
| 357 | Q | 98.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 105.1 Ų | 105.1 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.2 | -52.4 | 174.5 | -175.4 | 179.5 | 4.2 | 0 | 0 | 111.2 | E353 Q354 R359 T360 E361 | E353-Q357 WeakPolarHBondContact O-CB 3.27Å; E353-Q357 PolarHBondContact O-N 3.48Å; Q354-Q357 PolarHBondContact O-N 2.92Å; Q357-R359 VanDerWaalsContact C-N 3.28Å; Q357-R359 PolarHBondContact O-N 2.91Å; Q357-T360 PolarHBondContact O-N 3.26Å; Q357-T360 VanDerWaalsContact O-N 3.14Å; Q357-T360 PolarHBondContact O-OG1 2.84Å; Q357-E361 PolarHBondContact O-N 3.17Å |
| 358 | I | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 105.4 Ų | 105.4 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 179.3 | -68.3 | 166.5 | 0 | 0 | 0 | 111.3 | Q354 E361 T362 | Q354-I358 WeakPolarHBondContact O-CG1 3.4Å; Q354-I358 PolarHBondContact O-N 3.22Å; I358-E361 PolarHBondContact O-N 3Å; I358-T362 WeakPolarHBondContact O-CB 3.29Å; I358-T362 PolarHBondContact O-N 3.38Å; I358-T362 PolarHBondContact O-OG1 3Å |
| 359 | R | 98.1 | Very high | 98.1 | Very high | 150 Ų | 150 | 108.1 Ų | 108.1 | 57% | 0.566 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -51.2 | 173.6 | -75 | 171.8 | 179.4 | -171.5 | -0.4 | 111.6 | L355 Q356 Q357 E361 T362 E363 | L355-R359 VanDerWaalsContact O-CG 3.3Å; L355-R359 WeakPolarHBondContact O-CG 3.44Å; L355-R359 PolarHBondContact O-N 3.47Å; Q356-R359 PolarHBondContact O-N 3.42Å; Q357-R359 VanDerWaalsContact C-N 3.28Å; Q357-R359 PolarHBondContact O-N 2.91Å; R359-E361 VanDerWaalsContact C-N 3.3Å; R359-E361 PolarHBondContact O-N 3.1Å; R359-T362 PolarHBondContact O-N 3.13Å; R359-E363 WeakPolarHBondContact O-CB 3.29Å; R359-E363 WeakPolarHBondContact O-CG 3.4Å; R359-E363 PolarHBondContact O-N 3.18Å |
| 360 | T | 98.1 | Very high | 98 | Very high | 71 Ų | 71 | 107.1 Ų | 107.1 | 44% | 0.436 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 179.4 | 55.5 | 0 | 0 | 0 | 0 | 113 | Q356 Q357 G364 | Q356-T360 WeakPolarHBondContact O-CG2 3.24Å; Q356-T360 PolarHBondContact O-N 3.12Å; Q356-T360 PolarHBondContact O-OG1 3.22Å; Q357-T360 PolarHBondContact O-N 3.26Å; Q357-T360 VanDerWaalsContact O-N 3.14Å; Q357-T360 PolarHBondContact O-OG1 2.84Å; T360-G364 PolarHBondContact O-N 3.23Å |
| 361 | E | 98.3 | Very high | 98 | Very high | 105 Ų | 105 | 110.6 Ų | 110.6 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -43.4 | 174.3 | -173.6 | 178.6 | 177.1 | 0 | 0 | 111.5 | Q357 I358 R359 E363 G364 Q365 | Q357-E361 PolarHBondContact O-N 3.17Å; I358-E361 PolarHBondContact O-N 3Å; R359-E361 VanDerWaalsContact C-N 3.3Å; R359-E361 PolarHBondContact O-N 3.1Å; E361-E363 PolarHBondContact O-N 3.37Å; E361-G364 PolarHBondContact O-N 3.43Å; E361-Q365 WeakPolarHBondContact O-CG 3.29Å; E361-Q365 PolarHBondContact O-N 3.27Å; E361-Q365 PolarHBondContact OE1-NE2 2.85Å |
| 362 | T | 98 | Very high | 98 | Very high | 78 Ų | 78 | 107.6 Ų | 107.6 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 176.8 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | I358 R359 K366 | I358-T362 WeakPolarHBondContact O-CB 3.29Å; I358-T362 PolarHBondContact O-N 3.38Å; I358-T362 PolarHBondContact O-OG1 3Å; R359-T362 PolarHBondContact O-N 3.13Å; T362-K366 WeakPolarHBondContact O-CB 3.39Å; T362-K366 PolarHBondContact O-N 2.81Å |
| 363 | E | 97.5 | Very high | 97.9 | Very high | 118 Ų | 118 | 106.9 Ų | 106.9 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -40.7 | 174.1 | -73.6 | 169.9 | -174.2 | 0 | 0 | 111.6 | R359 E361 K366 L367 | R359-E363 WeakPolarHBondContact O-CB 3.29Å; R359-E363 WeakPolarHBondContact O-CG 3.4Å; R359-E363 PolarHBondContact O-N 3.18Å; E361-E363 PolarHBondContact O-N 3.37Å; E363-K366 PolarHBondContact O-N 3.44Å; E363-L367 WeakPolarHBondContact O-CG 3.42Å; E363-L367 PolarHBondContact O-N 3.28Å; E363-L367 VanDerWaalsContact O-N 3.13Å |
| 364 | G | 97.8 | Very high | 97.9 | Very high | 29 Ų | 29 | 102.4 Ų | 102.4 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -52.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T360 E361 K366 L367 E368 | T360-G364 PolarHBondContact O-N 3.23Å; E361-G364 PolarHBondContact O-N 3.43Å; G364-K366 VanDerWaalsContact C-N 3.28Å; G364-K366 PolarHBondContact O-N 3.14Å; G364-L367 PolarHBondContact O-N 3.16Å; G364-L367 VanDerWaalsContact O-N 3.08Å; G364-E368 PolarHBondContact O-N 3.48Å |
| 365 | Q | 97.9 | Very high | 97.9 | Very high | 87 Ų | 87 | 102.8 Ų | 102.8 | 41% | 0.407 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 176.9 | -71.3 | 175.7 | 10 | 0 | 0 | 112 | E361 L367 E368 H369 | E361-Q365 WeakPolarHBondContact O-CG 3.29Å; E361-Q365 PolarHBondContact O-N 3.27Å; E361-Q365 PolarHBondContact OE1-NE2 2.85Å; Q365-L367 PolarHBondContact O-N 3.48Å; Q365-E368 PolarHBondContact O-N 2.91Å; Q365-H369 WeakPolarHBondContact O-CB 3.27Å; Q365-H369 PolarHBondContact O-CD2 3.13Å; Q365-H369 PolarHBondContact O-N 3.02Å |
| 366 | K | 97.9 | Very high | 97.9 | Very high | 140 Ų | 140 | 102.7 Ų | 102.7 | 61% | 0.609 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.1 | -46.7 | 174.6 | -176.5 | -166.7 | 170.3 | -165.5 | 0 | 111.5 | T362 E363 G364 H369 E370 | T362-K366 WeakPolarHBondContact O-CB 3.39Å; T362-K366 PolarHBondContact O-N 2.81Å; E363-K366 PolarHBondContact O-N 3.44Å; G364-K366 VanDerWaalsContact C-N 3.28Å; G364-K366 PolarHBondContact O-N 3.14Å; K366-H369 PolarHBondContact O-N 2.97Å; K366-E370 WeakPolarHBondContact O-CB 3.4Å; K366-E370 PolarHBondContact O-N 3.42Å |
| 367 | L | 97.9 | Very high | 97.8 | Very high | 98 Ų | 98 | 100.4 Ų | 100.4 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 178.8 | -69.5 | 170.1 | 0 | 0 | 0 | 112.1 | E363 G364 Q365 E370 Q371 | E363-L367 WeakPolarHBondContact O-CG 3.42Å; E363-L367 PolarHBondContact O-N 3.28Å; E363-L367 VanDerWaalsContact O-N 3.13Å; G364-L367 PolarHBondContact O-N 3.16Å; G364-L367 VanDerWaalsContact O-N 3.08Å; Q365-L367 PolarHBondContact O-N 3.48Å; L367-E370 PolarHBondContact O-N 3.05Å; L367-Q371 VanDerWaalsContact O-CG 3.32Å; L367-Q371 WeakPolarHBondContact O-CG 3.38Å; L367-Q371 PolarHBondContact O-N 2.76Å |
| 368 | E | 97.7 | Very high | 97.8 | Very high | 135 Ų | 135 | 101.7 Ų | 101.7 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 174 | -70 | -179.6 | -176.6 | 0 | 0 | 112 | G364 Q365 Q371 L372 | G364-E368 PolarHBondContact O-N 3.48Å; Q365-E368 PolarHBondContact O-N 2.91Å; E368-Q371 PolarHBondContact O-N 2.88Å; E368-L372 WeakPolarHBondContact O-CB 3.49Å; E368-L372 PolarHBondContact O-N 2.94Å |
| 369 | H | 97.9 | Very high | 97.7 | Very high | 127 Ų | 127 | 101 Ų | 101 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -39.9 | 174.1 | -77.8 | -53.4 | 0 | 0 | 0 | 112.8 | Q365 K366 L372 L373 | Q365-H369 WeakPolarHBondContact O-CB 3.27Å; Q365-H369 PolarHBondContact O-CD2 3.13Å; Q365-H369 PolarHBondContact O-N 3.02Å; K366-H369 PolarHBondContact O-N 2.97Å; H369-L372 PolarHBondContact O-N 3.2Å; H369-L373 WeakPolarHBondContact O-CB 3.48Å; H369-L373 PolarHBondContact O-N 3.42Å |
| 370 | E | 97.5 | Very high | 97.7 | Very high | 115 Ų | 115 | 97.7 Ų | 97.7 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.3 | -169.9 | 173.8 | 167.5 | 0 | 0 | 111.4 | K366 L367 L373 G374 | K366-E370 WeakPolarHBondContact O-CB 3.4Å; K366-E370 PolarHBondContact O-N 3.42Å; L367-E370 PolarHBondContact O-N 3.05Å; E370-L373 PolarHBondContact O-N 2.89Å; E370-G374 PolarHBondContact O-N 3.01Å |
| 371 | Q | 97.6 | Very high | 97.5 | Very high | 131 Ų | 131 | 101.2 Ų | 101.2 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -44.8 | 172.9 | -71.1 | 173.8 | 27.9 | 0 | 0 | 112.2 | L367 E368 L373 G374 I375 | L367-Q371 VanDerWaalsContact O-CG 3.32Å; L367-Q371 WeakPolarHBondContact O-CG 3.38Å; L367-Q371 PolarHBondContact O-N 2.76Å; E368-Q371 PolarHBondContact O-N 2.88Å; Q371-L373 VanDerWaalsContact C-N 3.32Å; Q371-L373 PolarHBondContact O-N 3.08Å; Q371-G374 WeakPolarHBondContact O-CA 3.36Å; Q371-G374 PolarHBondContact O-N 3.25Å; Q371-I375 WeakPolarHBondContact O-CG1 3.26Å; Q371-I375 PolarHBondContact O-N 3.36Å |
| 372 | L | 97.9 | Very high | 97.5 | Very high | 112 Ų | 112 | 98.7 Ų | 98.7 | 59% | 0.586 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.7 | -36.9 | 178.4 | -173.9 | 64.3 | 0 | 0 | 0 | 111.9 | E368 H369 I375 K376 | E368-L372 WeakPolarHBondContact O-CB 3.49Å; E368-L372 PolarHBondContact O-N 2.94Å; H369-L372 PolarHBondContact O-N 3.2Å; L372-I375 PolarHBondContact O-N 2.81Å; L372-K376 WeakPolarHBondContact O-CB 3.34Å; L372-K376 PolarHBondContact O-N 2.89Å |
| 373 | L | 97.6 | Very high | 97.3 | Very high | 99 Ų | 99 | 99.8 Ų | 99.8 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 172.9 | -174 | 64.2 | 0 | 0 | 0 | 111.6 | H369 E370 Q371 K376 T377 | H369-L373 WeakPolarHBondContact O-CB 3.48Å; H369-L373 PolarHBondContact O-N 3.42Å; E370-L373 PolarHBondContact O-N 2.89Å; Q371-L373 VanDerWaalsContact C-N 3.32Å; Q371-L373 PolarHBondContact O-N 3.08Å; L373-K376 HydrophobicContact CD1-CD 4.44Å; L373-K376 PolarHBondContact O-N 2.81Å; L373-T377 HydrophobicContact CD1-CG2 4.46Å; L373-T377 WeakPolarHBondContact O-CG2 3.4Å; L373-T377 PolarHBondContact O-N 2.91Å; L373-T377 PolarHBondContact O-OG1 3.43Å |
| 374 | G | 97.7 | Very high | 97.2 | Very high | 39 Ų | 39 | 98.9 Ų | 98.9 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E370 Q371 T377 Y378 | E370-G374 PolarHBondContact O-N 3.01Å; Q371-G374 WeakPolarHBondContact O-CA 3.36Å; Q371-G374 PolarHBondContact O-N 3.25Å; G374-T377 PolarHBondContact O-OG1 3.14Å; G374-T377 VanDerWaalsContact O-OG1 3.08Å; G374-Y378 PolarHBondContact O-N 3.18Å; G374-Y378 VanDerWaalsContact O-N 3.08Å |
| 375 | I | 97.7 | Very high | 96.9 | Very high | 98 Ų | 98 | 102.4 Ų | 102.4 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 176 | -65.6 | 166.7 | 0 | 0 | 0 | 111 | Q371 L372 T377 Y378 L379 | Q371-I375 WeakPolarHBondContact O-CG1 3.26Å; Q371-I375 PolarHBondContact O-N 3.36Å; L372-I375 PolarHBondContact O-N 2.81Å; I375-T377 PolarHBondContact O-N 2.77Å; I375-Y378 WeakPolarHBondContact O-CB 3.37Å; I375-Y378 PolarHBondContact O-N 2.62Å; I375-L379 HydrophobicContact CG2-CD1 3.98Å; I375-L379 HydrophobicContact CG2-CG 4.41Å; I375-L379 WeakPolarHBondContact O-CG 3.36Å; I375-L379 PolarHBondContact O-N 3.15Å |
| 376 | K | 97.4 | Very high | 96.7 | Very high | 101 Ų | 101 | 104.2 Ų | 104.2 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.2 | -51.2 | 176.9 | 179 | -177.4 | 173.4 | -73.2 | 0 | 111.3 | L372 L373 Y378 L379 E380 | L372-K376 WeakPolarHBondContact O-CB 3.34Å; L372-K376 PolarHBondContact O-N 2.89Å; L373-K376 HydrophobicContact CD1-CD 4.44Å; L373-K376 PolarHBondContact O-N 2.81Å; K376-Y378 VanDerWaalsContact C-N 3.26Å; K376-Y378 PolarHBondContact O-N 3.12Å; K376-L379 PolarHBondContact O-N 2.86Å; K376-L379 VanDerWaalsContact O-N 3.17Å; K376-E380 WeakPolarHBondContact CE-OE1 3.36Å; K376-E380 HydrophobicContact CG-CG 4.44Å; K376-E380 IonicContact NZ-OE1 3.59Å; K376-E380 PolarHBondContact NZ-OE1 2.86Å; K376-E380 IonicContact NZ-OE2 2.58Å; K376-E380 PolarHBondContact NZ-OE2 3.1Å; K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 3.37Å |
| 377 | T | 97.1 | Very high | 96.4 | Very high | 55 Ų | 55 | 100.5 Ų | 100.5 | 34% | 0.337 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -23.7 | -179.7 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | L373 G374 I375 K381 | L373-T377 HydrophobicContact CD1-CG2 4.46Å; L373-T377 WeakPolarHBondContact O-CG2 3.4Å; L373-T377 PolarHBondContact O-N 2.91Å; L373-T377 PolarHBondContact O-OG1 3.43Å; G374-T377 PolarHBondContact O-OG1 3.14Å; G374-T377 VanDerWaalsContact O-OG1 3.08Å; I375-T377 PolarHBondContact O-N 2.77Å; T377-K381 WeakPolarHBondContact O-CD 3.3Å; T377-K381 VanDerWaalsContact O-CG 3.31Å; T377-K381 WeakPolarHBondContact O-CG 3.32Å; T377-K381 PolarHBondContact O-N 2.82Å |
| 378 | Y | 97.9 | Very high | 95.9 | Very high | 149 Ų | 149 | 100.7 Ų | 100.7 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70 | -50.1 | 167.8 | 176.3 | -86.1 | 0 | 0 | 0 | 111.3 | G374 I375 K376 E380 K381 E382 | G374-Y378 PolarHBondContact O-N 3.18Å; G374-Y378 VanDerWaalsContact O-N 3.08Å; I375-Y378 WeakPolarHBondContact O-CB 3.37Å; I375-Y378 PolarHBondContact O-N 2.62Å; K376-Y378 VanDerWaalsContact C-N 3.26Å; K376-Y378 PolarHBondContact O-N 3.12Å; Y378-E380 VanDerWaalsContact C-N 3.33Å; Y378-E380 PolarHBondContact O-N 2.82Å; Y378-K381 WeakPolarHBondContact O-CB 3.45Å; Y378-K381 PolarHBondContact O-N 2.97Å; Y378-E382 WeakPolarHBondContact CE1-OE2 3.32Å; Y378-E382 PolarHBondContact O-N 2.92Å |
| 379 | L | 97.2 | Very high | 95.5 | Very high | 84 Ų | 84 | 99.4 Ų | 99.4 | 44% | 0.44 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 179.5 | -69.5 | 172 | 0 | 0 | 0 | 112.5 | I375 K376 E382 I383 | I375-L379 HydrophobicContact CG2-CD1 3.98Å; I375-L379 HydrophobicContact CG2-CG 4.41Å; I375-L379 WeakPolarHBondContact O-CG 3.36Å; I375-L379 PolarHBondContact O-N 3.15Å; K376-L379 PolarHBondContact O-N 2.86Å; K376-L379 VanDerWaalsContact O-N 3.17Å; L379-E382 PolarHBondContact O-N 2.79Å; L379-I383 WeakPolarHBondContact O-CG1 3.37Å; L379-I383 PolarHBondContact O-N 3.22Å |
| 380 | E | 96.3 | Very high | 94.9 | Very high | 80 Ų | 80 | 99 Ų | 99 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 174.2 | -74.4 | 173.7 | 141.3 | 0 | 0 | 111.3 | K376 Y378 E382 I383 D384 | K376-E380 WeakPolarHBondContact CE-OE1 3.36Å; K376-E380 HydrophobicContact CG-CG 4.44Å; K376-E380 IonicContact NZ-OE1 3.59Å; K376-E380 PolarHBondContact NZ-OE1 2.86Å; K376-E380 IonicContact NZ-OE2 2.58Å; K376-E380 PolarHBondContact NZ-OE2 3.1Å; K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 3.37Å; Y378-E380 VanDerWaalsContact C-N 3.33Å; Y378-E380 PolarHBondContact O-N 2.82Å; E380-E382 VanDerWaalsContact C-N 3.3Å; E380-E382 PolarHBondContact O-N 3.44Å; E380-I383 PolarHBondContact O-N 2.94Å; E380-D384 WeakPolarHBondContact O-CB 3.36Å; E380-D384 PolarHBondContact O-N 3.08Å |
| 381 | K | 95.8 | Very high | 93.9 | Very high | 146 Ų | 146 | 97.4 Ų | 97.4 | 64% | 0.635 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64 | -34.1 | 174.2 | -69.2 | 165.8 | -174.9 | 168.8 | 0 | 112.9 | T377 Y378 M385 | T377-K381 WeakPolarHBondContact O-CD 3.3Å; T377-K381 VanDerWaalsContact O-CG 3.31Å; T377-K381 WeakPolarHBondContact O-CG 3.32Å; T377-K381 PolarHBondContact O-N 2.82Å; Y378-K381 WeakPolarHBondContact O-CB 3.45Å; Y378-K381 PolarHBondContact O-N 2.97Å; K381-M385 WeakPolarHBondContact O-CB 3.37Å; K381-M385 PolarHBondContact O-N 3.13Å |
| 382 | E | 96.4 | Very high | 92.3 | Very high | 52 Ų | 52 | 92.5 Ų | 92.5 | 24% | 0.243 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -69.9 | -42.8 | 177.1 | -153.8 | -178.4 | 172.2 | 0 | 0 | 111.2 | Y378 L379 E380 M385 Y386 | Y378-E382 WeakPolarHBondContact CE1-OE2 3.32Å; Y378-E382 PolarHBondContact O-N 2.92Å; L379-E382 PolarHBondContact O-N 2.79Å; E380-E382 VanDerWaalsContact C-N 3.3Å; E380-E382 PolarHBondContact O-N 3.44Å; E382-M385 HydrophobicContact CG-CE 4.35Å; E382-M385 WeakPolarHBondContact O-CB 3.37Å; E382-M385 PolarHBondContact O-N 3.17Å; E382-Y386 HydrophobicContact CG-CD2 4.28Å; E382-Y386 HydrophobicContact CG-CE2 3.64Å; E382-Y386 WeakPolarHBondContact O-CD2 3.42Å; E382-Y386 PolarHBondContact O-N 3.5Å; E382-Y386 PolarHBondContact OE1-OH 3.32Å; E382-Y386 VanDerWaalsContact OE1-OH 3.12Å |
| 383 | I | 94.3 | Very high | 90.3 | Very high | 101 Ų | 101 | 93.5 Ų | 93.5 | 52% | 0.518 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 172.9 | -68.2 | 165.9 | 0 | 0 | 0 | 110.8 | L379 E380 M385 Y386 C387 | L379-I383 WeakPolarHBondContact O-CG1 3.37Å; L379-I383 PolarHBondContact O-N 3.22Å; E380-I383 PolarHBondContact O-N 2.94Å; I383-M385 VanDerWaalsContact C-N 3.25Å; I383-M385 PolarHBondContact O-N 3.06Å; I383-Y386 PolarHBondContact O-N 3Å; I383-C387 PolarHBondContact O-N 2.83Å; I383-C387 PolarHBondContact O-SG 3.3Å; I383-C387 VanDerWaalsContact O-SG 3.32Å |
| 384 | D | 95.1 | Very high | 88.1 | Confident | 99 Ų | 99 | 95 Ų | 95 | 53% | 0.529 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.4 | -40.6 | 175.7 | -75.6 | -20.5 | 0 | 0 | 0 | 111.2 | E380 C387 N388 | E380-D384 WeakPolarHBondContact O-CB 3.36Å; E380-D384 PolarHBondContact O-N 3.08Å; D384-C387 PolarHBondContact O-N 3.42Å; D384-N388 WeakPolarHBondContact O-CB 3.32Å; D384-N388 PolarHBondContact O-N 3.19Å; D384-N388 PolarHBondContact O-ND2 3.23Å |
| 385 | M | 91.8 | Very high | 85.9 | Confident | 103 Ų | 103 | 101.1 Ų | 101.1 | 51% | 0.507 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 174.7 | -176.2 | 176 | 65.1 | 0 | 0 | 112.1 | K381 E382 I383 N388 L389 | K381-M385 WeakPolarHBondContact O-CB 3.37Å; K381-M385 PolarHBondContact O-N 3.13Å; E382-M385 HydrophobicContact CG-CE 4.35Å; E382-M385 WeakPolarHBondContact O-CB 3.37Å; E382-M385 PolarHBondContact O-N 3.17Å; I383-M385 VanDerWaalsContact C-N 3.25Å; I383-M385 PolarHBondContact O-N 3.06Å; M385-N388 PolarHBondContact O-N 3.49Å; M385-L389 HydrophobicContact CG-CD1 4.44Å; M385-L389 WeakPolarHBondContact O-CG 3.42Å; M385-L389 PolarHBondContact O-N 2.88Å |
| 386 | Y | 95 | Very high | 83.5 | Confident | 124 Ų | 124 | 106 Ų | 106 | 49% | 0.486 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 175.1 | -69.7 | -51 | 0 | 0 | 0 | 112.6 | E382 I383 L389 L390 | E382-Y386 HydrophobicContact CG-CD2 4.28Å; E382-Y386 HydrophobicContact CG-CE2 3.64Å; E382-Y386 WeakPolarHBondContact O-CD2 3.42Å; E382-Y386 PolarHBondContact O-N 3.5Å; E382-Y386 PolarHBondContact OE1-OH 3.32Å; E382-Y386 VanDerWaalsContact OE1-OH 3.12Å; I383-Y386 PolarHBondContact O-N 3Å; Y386-L389 PolarHBondContact O-N 2.89Å; Y386-L390 PolarHBondContact O-N 3.36Å |
| 387 | C | 90.1 | Very high | 81 | Confident | 62 Ų | 62 | 106.1 Ų | 106.1 | 42% | 0.419 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 173.6 | -67.9 | 0 | 0 | 0 | 0 | 111.2 | I383 D384 L389 L390 D391 | I383-C387 PolarHBondContact O-N 2.83Å; I383-C387 PolarHBondContact O-SG 3.3Å; I383-C387 VanDerWaalsContact O-SG 3.32Å; D384-C387 PolarHBondContact O-N 3.42Å; C387-L389 PolarHBondContact O-N 3.42Å; C387-L390 PolarHBondContact O-N 2.89Å; C387-L390 VanDerWaalsContact O-N 3.17Å; C387-D391 WeakPolarHBondContact O-CB 3.38Å; C387-D391 PolarHBondContact O-N 3.25Å |
| 388 | N | 88.1 | Confident | 78.4 | Confident | 103 Ų | 103 | 111.6 Ų | 111.6 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.4 | -31.5 | 176 | -83.8 | -73.3 | 0 | 0 | 0 | 113.4 | D384 M385 G392 | D384-N388 WeakPolarHBondContact O-CB 3.32Å; D384-N388 PolarHBondContact O-N 3.19Å; D384-N388 PolarHBondContact O-ND2 3.23Å; M385-N388 PolarHBondContact O-N 3.49Å; N388-G392 PolarHBondContact O-N 3.45Å; N388-G392 VanDerWaalsContact O-N 3.12Å |
| 389 | L | 89.4 | Confident | 75.6 | Confident | 108 Ų | 108 | 108.4 Ų | 108.4 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.3 | -43.9 | 174.4 | -72.9 | 168.5 | 0 | 0 | 0 | 111.7 | M385 Y386 C387 G392 E393 | M385-L389 HydrophobicContact CG-CD1 4.44Å; M385-L389 WeakPolarHBondContact O-CG 3.42Å; M385-L389 PolarHBondContact O-N 2.88Å; Y386-L389 PolarHBondContact O-N 2.89Å; C387-L389 PolarHBondContact O-N 3.42Å; L389-G392 PolarHBondContact O-N 2.82Å; L389-E393 PolarHBondContact O-N 2.97Å; L389-E393 VanDerWaalsContact O-N 3.1Å |
| 390 | L | 85.6 | Confident | 72.7 | Confident | 118 Ų | 118 | 111.5 Ų | 111.5 | 62% | 0.618 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.2 | -49.6 | 173.6 | -99.9 | 69.5 | 0 | 0 | 0 | 111.7 | Y386 C387 G392 E393 E394 | Y386-L390 PolarHBondContact O-N 3.36Å; C387-L390 PolarHBondContact O-N 2.89Å; C387-L390 VanDerWaalsContact O-N 3.17Å; L390-G392 PolarHBondContact O-N 3.06Å; L390-G392 VanDerWaalsContact O-N 3.13Å; L390-E393 PolarHBondContact O-N 3.34Å; L390-E394 PolarHBondContact O-N 3.03Å |
| 391 | D | 76.1 | Confident | 69.8 | Low | 81 Ų | 81 | 110.6 Ų | 110.6 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.3 | -24 | 175.4 | -72.1 | -3.1 | 0 | 0 | 0 | 112.5 | C387 R395 | C387-D391 WeakPolarHBondContact O-CB 3.38Å; C387-D391 PolarHBondContact O-N 3.25Å; D391-R395 WeakPolarHBondContact O-CB 3.46Å; D391-R395 WeakPolarHBondContact O-CG 3.3Å; D391-R395 PolarHBondContact O-N 3.46Å; D391-R395 PolarHBondContact O-NE 2.84Å; D391-R395 PolarHBondContact O-NH2 3.08Å |
| 392 | G | 63.4 | Low | 67 | Low | 29 Ų | 29 | 114.9 Ų | 114.9 | 30% | 0.299 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -79.8 | -25.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N388 L389 L390 | N388-G392 PolarHBondContact O-N 3.45Å; N388-G392 VanDerWaalsContact O-N 3.12Å; L389-G392 PolarHBondContact O-N 2.82Å; L390-G392 PolarHBondContact O-N 3.06Å; L390-G392 VanDerWaalsContact O-N 3.13Å |
| 393 | E | 57.4 | Low | 64.2 | Low | 133 Ų | 133 | 121.5 Ų | 121.5 | 62% | 0.621 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -91 | -36.2 | 178.5 | -169.7 | 159.7 | -138.7 | 0 | 0 | 112 | L389 L390 R395 R396 S397 | L389-E393 PolarHBondContact O-N 2.97Å; L389-E393 VanDerWaalsContact O-N 3.1Å; L390-E393 PolarHBondContact O-N 3.34Å; E393-R395 VanDerWaalsContact C-N 3.33Å; E393-R395 PolarHBondContact O-N 2.82Å; E393-R396 WeakPolarHBondContact O-CA 3.47Å; E393-R396 WeakPolarHBondContact O-CB 3.43Å; E393-R396 PolarHBondContact O-N 2.57Å; E393-S397 PolarHBondContact O-N 2.96Å; E393-S397 PolarHBondContact O-OG 2.93Å |
| 394 | E | 50.6 | Low | 61.7 | Low | 129 Ų | 129 | 122.1 Ų | 122.1 | 60% | 0.603 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.1 | -41.9 | 170.4 | -166.3 | 160 | -140.8 | 0 | 0 | 110.7 | L390 R396 S397 E398 | L390-E394 PolarHBondContact O-N 3.03Å; E394-R396 PolarHBondContact O-N 3.14Å; E394-R396 VanDerWaalsContact O-N 3.16Å; E394-S397 PolarHBondContact O-N 3.4Å; E394-E398 PolarHBondContact O-N 2.93Å |
| 395 | R | 50.6 | Low | 58.9 | Low | 168 Ų | 168 | 125.5 Ų | 125.5 | 63% | 0.634 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.1 | -5.6 | 170 | -78.8 | -177.5 | -70.9 | 164 | -7.5 | 115.6 | D391 E393 | D391-R395 WeakPolarHBondContact O-CB 3.46Å; D391-R395 WeakPolarHBondContact O-CG 3.3Å; D391-R395 PolarHBondContact O-N 3.46Å; D391-R395 PolarHBondContact O-NE 2.84Å; D391-R395 PolarHBondContact O-NH2 3.08Å; E393-R395 VanDerWaalsContact C-N 3.33Å; E393-R395 PolarHBondContact O-N 2.82Å |
| 396 | R | 48.8 | Very low | 56.1 | Low | 202 Ų | 202 | 127.3 Ų | 127.3 | 76% | 0.762 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -95.5 | -26.4 | 166.2 | -76.9 | 179.8 | 175.5 | -169.1 | 0.8 | 112.5 | E393 E394 S399 | E393-R396 WeakPolarHBondContact O-CA 3.47Å; E393-R396 WeakPolarHBondContact O-CB 3.43Å; E393-R396 PolarHBondContact O-N 2.57Å; E394-R396 PolarHBondContact O-N 3.14Å; E394-R396 VanDerWaalsContact O-N 3.16Å; R396-S399 PolarHBondContact O-OG 3.21Å; R396-S399 VanDerWaalsContact O-OG 3.14Å |
| 397 | S | 45.1 | Very low | 53.2 | Low | 103 Ų | 103 | 124.6 Ų | 124.6 | 72% | 0.72 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -77.2 | -36.4 | 173.3 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | E393 E394 S399 | E393-S397 PolarHBondContact O-N 2.96Å; E393-S397 PolarHBondContact O-OG 2.93Å; E394-S397 PolarHBondContact O-N 3.4Å; S397-S399 VanDerWaalsContact C-N 3.34Å; S397-S399 PolarHBondContact O-N 3.47Å |
| 398 | E | 42.3 | Very low | 50.7 | Low | 169 Ų | 169 | 131.4 Ų | 131.4 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 47.8 | 171.1 | -62 | -161.1 | 146 | 0 | 0 | 112.8 | E394 | E394-E398 PolarHBondContact O-N 2.93Š|
| 399 | S | 39 | Very low | 48.3 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 57% | 0.573 | 69% | 0.687 | S | S | * | * | trans | -110.2 | 60.2 | 176.5 | 80.1 | 0 | 0 | 0 | 0 | 113.8 | R396 S397 | R396-S399 PolarHBondContact O-OG 3.21Å; R396-S399 VanDerWaalsContact O-OG 3.14Å; S397-S399 VanDerWaalsContact C-N 3.34Å; S397-S399 PolarHBondContact O-N 3.47Å | ||
| 400 | T | 36.6 | Very low | 45.4 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 91% | 0.914 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -143.4 | 83.3 | 155.5 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 401 | G | 35 | Very low | 43.1 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 171.6 | 76.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 402 | Y | 35.5 | Very low | 41.1 | Very low | 235 Ų | 235 | 136.5 Ų | 136.5 | 92% | 0.922 | 73% | 0.728 | S | S | * | * | trans | 58.2 | 126.3 | 150 | -63.8 | -82.4 | 0 | 0 | 0 | 122.3 | ||||
| 403 | K | 37.8 | Very low | 39.6 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | -79.1 | 150.6 | 156 | -71 | -76.6 | -173.6 | -179.3 | 0 | 109.7 | ||||
| 404 | P | 42.3 | Very low | 38.5 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | -130.8 | 150.4 | 82.3 | 17.8 | 4.4 | 0 | 0 | 0 | 112.2 | |||||
| 405 | K | 36.4 | Very low | 37.5 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | 52 | 129.8 | 75.4 | -71.9 | -159 | 158.1 | -152.7 | 0 | 114.7 | |||||
| 406 | D | 34 | Very low | 36.8 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | cis | -159.6 | 158.4 | -11.4 | -88.5 | -36.7 | 0 | 0 | 0 | 105.9 | ||||
| 407 | G | 32.8 | Very low | 36.2 | Very low | 67 Ų | 67 | 133.8 Ų | 133.8 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | cis | 161.2 | 177 | -0.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 408 | K | 37.8 | Very low | 36 | Very low | 205 Ų | 205 | 137.3 Ų | 137.3 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | 83.8 | 126.8 | 174.9 | -142.8 | 178.9 | -169.6 | -174.1 | 0 | 118.1 | ||||
| 409 | P | 37.3 | Very low | 35.8 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -91.8 | 152.6 | 175.9 | 36.6 | -34 | 0 | 0 | 0 | 112.9 | ||||
| 410 | G | 29.3 | Very low | 36 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -96.7 | 122.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 411 | N | 37.6 | Very low | 36.2 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -89.6 | 114.4 | 171.8 | -66.1 | -15.4 | 0 | 0 | 0 | 108.4 | ||||
| 412 | E | 32.9 | Very low | 36.5 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -108.4 | 102.3 | 159.7 | -74.6 | -174 | 157.5 | 0 | 0 | 108.3 | N414 | E412-N414 PolarHBondContact O-N 2.88Š| ||
| 413 | A | 32.5 | Very low | 37 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 106.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | D415 | A413-D415 VanDerWaalsContact C-N 3.26Å; A413-D415 PolarHBondContact O-N 3.19Å | ||
| 414 | N | 33.3 | Very low | 37.4 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | -72.8 | 86.9 | 169.9 | -72.6 | -29.1 | 0 | 0 | 0 | 108.7 | E412 S416 | E412-N414 PolarHBondContact O-N 2.88Å; N414-S416 PolarHBondContact O-N 3.46Å; N414-S416 VanDerWaalsContact O-N 3.16Å | ||
| 415 | D | 31.1 | Very low | 37.6 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -71.8 | 97.4 | 168.7 | -169.4 | 23.3 | 0 | 0 | 0 | 108.4 | A413 T417 | A413-D415 VanDerWaalsContact C-N 3.26Å; A413-D415 PolarHBondContact O-N 3.19Å; D415-T417 PolarHBondContact O-N 2.91Å; D415-T417 VanDerWaalsContact O-N 3.08Å | ||
| 416 | S | 36.1 | Very low | 38.4 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -77.3 | 92.1 | 178.3 | 56.4 | 0 | 0 | 0 | 0 | 109.7 | N414 E418 | N414-S416 PolarHBondContact O-N 3.46Å; N414-S416 VanDerWaalsContact O-N 3.16Å; S416-E418 PolarHBondContact O-N 2.79Å | ||
| 417 | T | 35.9 | Very low | 39.7 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | trans | -59.8 | 107.7 | 169.7 | 41.6 | 0 | 0 | 0 | 0 | 110.7 | D415 E419 | D415-T417 PolarHBondContact O-N 2.91Å; D415-T417 VanDerWaalsContact O-N 3.08Å; T417-E419 PolarHBondContact O-N 2.92Å | ||
| 418 | E | 39.5 | Very low | 40.9 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | -72.7 | 107.1 | 167.8 | -68.5 | -168.7 | 152.9 | 0 | 0 | 110.1 | S416 T420 | S416-E418 PolarHBondContact O-N 2.79Å; E418-T420 PolarHBondContact O-N 3.14Å | ||
| 419 | E | 38.5 | Very low | 42 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 70% | 0.696 | 72% | 0.719 | S | S | * | * | trans | -77.3 | 97.4 | 172.8 | -68.7 | -173.1 | 160 | 0 | 0 | 111 | T417 F421 | T417-E419 PolarHBondContact O-N 2.92Å; E419-F421 HydrophobicContact CB-CD2 4.22Å; E419-F421 HydrophobicContact CB-CE2 3.73Å; E419-F421 HydrophobicContact CB-CZ 4.48Å; E419-F421 WeakPolarHBondContact O-CD2 3.41Å; E419-F421 PolarHBondContact O-N 2.84Å; E419-F421 VanDerWaalsContact O-N 3.13Å; E419-F421 WeakPolarHBondContact OE2-CE2 3.32Å; E419-F421 WeakPolarHBondContact OE2-CZ 3.41Å | ||
| 420 | T | 44.1 | Very low | 43 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -76.3 | 97 | 172.5 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | E418 A422 | E418-T420 PolarHBondContact O-N 3.14Å; T420-A422 PolarHBondContact O-N 3.37Å | ||
| 421 | F | 40.8 | Very low | 44.2 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 70% | 0.697 | 71% | 0.711 | S | S | * | * | trans | -73.9 | 99.8 | 173.9 | -74.9 | -90.1 | 0 | 0 | 0 | 112.3 | E419 R423 | E419-F421 HydrophobicContact CB-CD2 4.22Å; E419-F421 HydrophobicContact CB-CE2 3.73Å; E419-F421 HydrophobicContact CB-CZ 4.48Å; E419-F421 WeakPolarHBondContact O-CD2 3.41Å; E419-F421 PolarHBondContact O-N 2.84Å; E419-F421 VanDerWaalsContact O-N 3.13Å; E419-F421 WeakPolarHBondContact OE2-CE2 3.32Å; E419-F421 WeakPolarHBondContact OE2-CZ 3.41Å; F421-R423 PolarHBondContact O-N 2.91Å | ||
| 422 | A | 39.9 | Very low | 44.9 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | trans | -80.8 | 107.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T420 | T420-A422 PolarHBondContact O-N 3.37Š| ||
| 423 | R | 46.8 | Very low | 46.2 | Very low | 209 Ų | 209 | 126.5 Ų | 126.5 | 79% | 0.789 | 70% | 0.7 | S | S | * | * | trans | -95 | 107.6 | 171.7 | 179.5 | 179.3 | -71.4 | 160.3 | -0.3 | 110.3 | F421 V425 | F421-R423 PolarHBondContact O-N 2.91Å; R423-V425 HydrophobicContact CG-CG2 4.24Å | ||
| 424 | T | 46.6 | Very low | 47.5 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | trans | -82.3 | 122.2 | 172.1 | -14.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 425 | V | 47.1 | Very low | 48.4 | Very low | 74 Ų | 74 | 123 Ų | 123 | 45% | 0.448 | 67% | 0.674 | S | S | . | * | trans | -109.2 | 131.4 | 171.7 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | R423 E427 L438 | R423-V425 HydrophobicContact CG-CG2 4.24Å; V425-E427 HydrophobicContact CG1-CG 4.35Å; V425-L438 HydrophobicContact CG1-CD1 4.03Å | ||
| 426 | A | 52.6 | Low | 49.5 | Very low | 70 Ų | 70 | 122 Ų | 122 | 58% | 0.579 | 67% | 0.668 | S | S | * | * | trans | -111 | 126.5 | 171 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 427 | E | 61.9 | Low | 49.9 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 55% | 0.547 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.3 | 177.2 | -68.4 | 180 | 170.9 | 0 | 0 | 108.9 | V425 L435 L438 | V425-E427 HydrophobicContact CG1-CG 4.35Å; E427-L435 HydrophobicContact CB-CD2 3.91Å; E427-L435 HydrophobicContact CG-CD2 4.09Å; E427-L438 HydrophobicContact CG-CD1 4.07Å |
| 428 | E | 56.5 | Low | 50.3 | Low | 148 Ų | 148 | 120 Ų | 120 | 69% | 0.692 | 65% | 0.65 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 115.5 | 166.6 | -75.2 | -167.3 | 148 | 0 | 0 | 109.5 | L436 | E428-L436 PolarHBondContact O-N 3.42Å |
| 429 | L | 62.1 | Low | 50.7 | Low | 100 Ų | 100 | 119.9 Ų | 119.9 | 52% | 0.524 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.7 | 177.7 | -66.7 | 168.2 | 0 | 0 | 0 | 109.6 | L435 | L429-L435 HydrophobicContact CD2-CB 4.43Å; L429-L435 HydrophobicContact CD2-CD2 3.51Å; L429-L435 HydrophobicContact CD2-CG 3.64Å; L429-L435 HydrophobicContact CG-CD2 4.27Å |
| 430 | D | 57.6 | Low | 50.9 | Low | 85 Ų | 85 | 117 Ų | 117 | 46% | 0.455 | 63% | 0.634 | S | S | . | * | trans | -75.2 | 169.5 | 169.8 | -164 | 12.9 | 0 | 0 | 0 | 111.8 | L432 G433 S434 L436 | D430-L432 PolarHBondContact O-N 3.27Å; D430-G433 PolarHBondContact O-N 3.49Å; D430-S434 PolarHBondContact N-O 2.8Å; D430-S434 VanDerWaalsContact N-O 3.13Å; D430-L436 HydrophobicContact CB-CD1 3.83Å; D430-L436 HydrophobicContact CB-CG 4.16Å | ||
| 431 | Q | 55.7 | Low | 50.6 | Low | 195 Ų | 195 | 117.9 Ų | 117.9 | 91% | 0.911 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -7.9 | -179.8 | -63 | -174.5 | 9.3 | 0 | 0 | 114.7 | ||
| 432 | L | 50.4 | Low | 50.8 | Low | 163 Ų | 163 | 115.8 Ų | 115.8 | 85% | 0.853 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 13.7 | 173 | -64 | 177.1 | 0 | 0 | 0 | 113.8 | D430 S434 | D430-L432 PolarHBondContact O-N 3.27Å; L432-S434 VanDerWaalsContact C-N 3.33Å; L432-S434 PolarHBondContact O-N 2.94Å |
| 433 | G | 60.7 | Low | 51 | Low | 55 Ų | 55 | 116.8 Ų | 116.8 | 57% | 0.567 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 76.4 | 12 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D430 | D430-G433 PolarHBondContact O-N 3.49Š|
| 434 | S | 60.9 | Low | 50.6 | Low | 77 Ų | 77 | 113.5 Ų | 113.5 | 54% | 0.538 | 62% | 0.623 | S | S | . | * | trans | -85.6 | 135.3 | 173.6 | -168.2 | 0 | 0 | 0 | 0 | 111 | D430 L432 L436 | D430-S434 PolarHBondContact N-O 2.8Å; D430-S434 VanDerWaalsContact N-O 3.13Å; L432-S434 VanDerWaalsContact C-N 3.33Å; L432-S434 PolarHBondContact O-N 2.94Å; S434-L436 PolarHBondContact O-N 3.13Å | ||
| 435 | L | 51.4 | Low | 50.3 | Low | 95 Ų | 95 | 116.4 Ų | 116.4 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.4 | 114.3 | 177.8 | -81.9 | 166.2 | 0 | 0 | 0 | 110.8 | E427 L429 | E427-L435 HydrophobicContact CB-CD2 3.91Å; E427-L435 HydrophobicContact CG-CD2 4.09Å; L429-L435 HydrophobicContact CD2-CB 4.43Å; L429-L435 HydrophobicContact CD2-CD2 3.51Å; L429-L435 HydrophobicContact CD2-CG 3.64Å; L429-L435 HydrophobicContact CG-CD2 4.27Å |
| 436 | L | 54 | Low | 49.8 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 63% | 0.634 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86 | -33.7 | 179.9 | -73.6 | 173.9 | 0 | 0 | 0 | 113 | E428 D430 S434 | E428-L436 PolarHBondContact O-N 3.42Å; D430-L436 HydrophobicContact CB-CD1 3.83Å; D430-L436 HydrophobicContact CB-CG 4.16Å; S434-L436 PolarHBondContact O-N 3.13Å |
| 437 | S | 45.6 | Very low | 49.1 | Very low | 66 Ų | 66 | 121.9 Ų | 121.9 | 46% | 0.462 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -161.1 | 142.4 | 175 | -142.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 438 | L | 44.8 | Very low | 48 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 56% | 0.56 | 66% | 0.656 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 99.7 | 170.8 | -164.5 | 82.7 | 0 | 0 | 0 | 109 | V425 E427 | V425-L438 HydrophobicContact CG1-CD1 4.03Å; E427-L438 HydrophobicContact CG-CD1 4.07Å |
| 439 | R | 47.3 | Very low | 47 | Very low | 176 Ų | 176 | 123.8 Ų | 123.8 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | trans | -107.3 | 99.6 | 179.6 | -175.3 | 164.8 | -72.9 | -179 | -0.3 | 111 | H441 | R439-H441 PolarHBondContact O-N 3.39Š| ||
| 440 | V | 42.5 | Very low | 45.7 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 54% | 0.539 | 68% | 0.679 | S | S | . | * | trans | -71.2 | 114.2 | 170.9 | -178.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 441 | H | 37.3 | Very low | 44.7 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 147 | 167.6 | -80.6 | -58.2 | 0 | 0 | 0 | 110.9 | R439 | R439-H441 PolarHBondContact O-N 3.39Š|
| 442 | S | 44.9 | Very low | 43.8 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 158.8 | -171.2 | -166.2 | 0 | 0 | 0 | 0 | 112.9 | E444 | S442-E444 PolarHBondContact O-N 2.96Š|
| 443 | V | 43.6 | Very low | 43.2 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 72% | 0.715 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 126.5 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 444 | E | 40 | Very low | 42.1 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | trans | -113.5 | 107.9 | 173.6 | -164.2 | -180 | -158.8 | 0 | 0 | 109.4 | S442 K446 | S442-E444 PolarHBondContact O-N 2.96Å; E444-K446 HydrophobicContact CG-CG 4.48Å; E444-K446 PolarHBondContact O-N 2.86Å; E444-K446 IonicContact OE1-NZ 2.65Å; E444-K446 WeakPolarHBondContact OE2-CE 3.46Å; E444-K446 IonicContact OE2-NZ 3.3Å; E444-K446 PolarHBondContact OE2-NZ 3.41Å | ||
| 445 | E | 40.1 | Very low | 41.2 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -75.4 | 90.6 | -175.1 | -170.2 | -176.8 | -177.9 | 0 | 0 | 111.2 | S447 | E445-S447 PolarHBondContact O-N 3.44Š| ||
| 446 | K | 37.1 | Very low | 40.5 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 62% | 0.617 | 73% | 0.731 | S | S | * | * | trans | -94.7 | 86.8 | -178.6 | -81.3 | 172.6 | 169.5 | 153.5 | 0 | 112.4 | E444 S448 | E444-K446 HydrophobicContact CG-CG 4.48Å; E444-K446 PolarHBondContact O-N 2.86Å; E444-K446 IonicContact OE1-NZ 2.65Å; E444-K446 WeakPolarHBondContact OE2-CE 3.46Å; E444-K446 IonicContact OE2-NZ 3.3Å; E444-K446 PolarHBondContact OE2-NZ 3.41Å; K446-S448 PolarHBondContact O-N 2.91Å; K446-S448 PolarHBondContact O-OG 3.37Å | ||
| 447 | S | 38 | Very low | 39.9 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -61.7 | 92.4 | 168.5 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | E445 K449 | E445-S447 PolarHBondContact O-N 3.44Å; S447-K449 PolarHBondContact O-N 2.83Å; S447-K449 VanDerWaalsContact O-N 3.09Å | ||
| 448 | S | 37.7 | Very low | 39.5 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -84.8 | 84.4 | -175.7 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | K446 I450 | K446-S448 PolarHBondContact O-N 2.91Å; K446-S448 PolarHBondContact O-OG 3.37Å; S448-I450 PolarHBondContact O-N 3.36Å | ||
| 449 | K | 34.8 | Very low | 39.6 | Very low | 202 Ų | 202 | 150.2 Ų | 150.2 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | trans | -64.2 | 112.7 | 160.6 | -99.3 | 178.3 | 177.3 | 171.1 | 0 | 108.8 | S447 S451 | S447-K449 PolarHBondContact O-N 2.83Å; S447-K449 VanDerWaalsContact O-N 3.09Å; K449-S451 PolarHBondContact O-N 3.23Å; K449-S451 VanDerWaalsContact O-N 3.12Å | ||
| 450 | I | 35.8 | Very low | 39.5 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | -63.9 | 111.5 | 175.3 | -61.3 | 168 | 0 | 0 | 0 | 109 | S448 | S448-I450 PolarHBondContact O-N 3.36Š| ||
| 451 | S | 35.3 | Very low | 39.4 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -122.9 | 108.1 | 161.7 | 59.6 | 0 | 0 | 0 | 0 | 108.9 | K449 | K449-S451 PolarHBondContact O-N 3.23Å; K449-S451 VanDerWaalsContact O-N 3.12Å | ||
| 452 | N | 37.9 | Very low | 40 | Very low | 145 Ų | 145 | 151.9 Ų | 151.9 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -51.2 | 136.4 | 171.3 | -63 | -50.8 | 0 | 0 | 0 | 110.8 | ||||
| 453 | I | 38.2 | Very low | 40.1 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | trans | -162.1 | 116 | 146.3 | -100.1 | 142.9 | 0 | 0 | 0 | 110.5 | ||||
| 454 | T | 37.3 | Very low | 41 | Very low | 127 Ų | 127 | 154.2 Ų | 154.2 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | trans | 48.3 | 117.8 | 142.8 | -42.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 455 | M | 41.2 | Very low | 41.1 | Very low | 188 Ų | 188 | 155 Ų | 155 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | trans | -57.4 | 134.8 | 158.7 | -66.4 | 175.5 | 170.2 | 0 | 0 | 111.7 | ||||
| 456 | E | 37.3 | Very low | 41.1 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -130 | 140.4 | 142.6 | -106.3 | -144.1 | 152 | 0 | 0 | 110.7 | ||||
| 457 | Q | 40.4 | Very low | 41.4 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 87% | 0.869 | 84% | 0.842 | S | S | * | * | trans | -103.4 | 116.7 | -170 | -178.7 | -176.5 | 21.3 | 0 | 0 | 108.8 | ||||
| 458 | R | 38 | Very low | 41.6 | Very low | 241 Ų | 241 | 156.1 Ų | 156.1 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | trans | -133.7 | 119.8 | 173 | -149.4 | 166.8 | -170.9 | 147.7 | 1.7 | 113.1 | ||||
| 459 | V | 46.7 | Very low | 41.8 | Very low | 119 Ų | 119 | 159.3 Ų | 159.3 | 72% | 0.721 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 143.6 | -176.4 | 176 | 0 | 0 | 0 | 0 | 111 | S461 | V459-S461 PolarHBondContact O-N 2.95Š|
| 460 | P | 45.4 | Very low | 42.3 | Very low | 124 Ų | 124 | 156.5 Ų | 156.5 | 81% | 0.805 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 124.2 | 175.8 | 28.5 | -34.8 | 0 | 0 | 0 | 111.8 | ||
| 461 | S | 40.4 | Very low | 42.7 | Very low | 119 Ų | 119 | 156.3 Ų | 156.3 | 83% | 0.832 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 128.2 | 169.8 | 54.3 | 0 | 0 | 0 | 0 | 111 | V459 | V459-S461 PolarHBondContact O-N 2.95Š|
| 462 | K | 48.9 | Very low | 43.3 | Very low | 204 Ų | 204 | 160.1 Ų | 160.1 | 89% | 0.887 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 146.8 | -179.8 | -155.1 | 172.6 | -175.4 | 176.5 | 0 | 112.3 | ||
| 463 | A | 48.5 | Very low | 43.8 | Very low | 80 Ų | 80 | 161.3 Ų | 161.3 | 66% | 0.661 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 165 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 464 | P | 62.8 | Low | 44.3 | Very low | 202 Ų | 202 | 161.5 Ų | 161.5 | 100% | 1.312 | 87% | 0.871 | S | S | * | * | -111.9 | 0 | 82.4 | 35.2 | -36.4 | 0 | 0 | 0 | 114.7 |
Retrieved 464 of 464 residues in 64.3 ms
(Link to these results)