| 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 | 29.5 | Very low | 24.9 | Very low | 248 Ų | 248 | 174.2 Ų | 174.2 | 100% | 1.222 | 88% | 0.882 | S | S | * | * | 0 | 116.2 | 0 | -73.2 | -174.8 | -78.1 | 0 | 0 | 107.2 | |||||
| 2 | E | 25.6 | Very low | 25.1 | Very low | 191 Ų | 191 | 173.3 Ų | 173.3 | 89% | 0.893 | 88% | 0.878 | S | S | * | * | trans | -78.3 | 143.7 | 169.3 | -61.5 | 173.7 | 136.1 | 0 | 0 | 109.1 | ||||
| 3 | Q | 29.1 | Very low | 24.7 | Very low | 183 Ų | 183 | 174.6 Ų | 174.6 | 86% | 0.855 | 88% | 0.878 | S | S | * | * | -175.9 | 127.2 | 114.5 | -100.3 | 176.7 | 6.2 | 0 | 0 | 110.4 | |||||
| 4 | E | 22.1 | Very low | 24.9 | Very low | 172 Ų | 172 | 167.2 Ų | 167.2 | 80% | 0.804 | 87% | 0.868 | S | S | * | * | trans | -66.9 | 134.7 | 158.9 | -61.8 | -176.8 | 110.5 | 0 | 0 | 109.3 | ||||
| 5 | T | 28.3 | Very low | 24.8 | Very low | 137 Ų | 137 | 167.5 Ų | 167.5 | 84% | 0.84 | 87% | 0.871 | S | S | * | * | trans | -140 | 116.1 | 147 | 31.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 6 | K | 21.1 | Very low | 24.6 | Very low | 186 Ų | 186 | 162.8 Ų | 162.8 | 81% | 0.809 | 86% | 0.864 | S | S | * | * | trans | -74.6 | 127.3 | 165.4 | -66 | 161.6 | -179.1 | 157.4 | 0 | 108.2 | ||||
| 7 | C | 24.5 | Very low | 24.8 | Very low | 136 Ų | 136 | 161.4 Ų | 161.4 | 92% | 0.919 | 86% | 0.863 | S | S | * | * | trans | -150.7 | 153.8 | 150.5 | -103.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 8 | K | 22.5 | Very low | 24.5 | Very low | 200 Ų | 200 | 162.2 Ų | 162.2 | 87% | 0.87 | 86% | 0.861 | S | S | * | * | trans | -84.9 | 158.9 | -168 | -73.7 | 176.5 | 177.9 | 177.3 | 0 | 112.1 | ||||
| 9 | P | 25.8 | Very low | 24.7 | Very low | 122 Ų | 122 | 159.7 Ų | 159.7 | 79% | 0.792 | 86% | 0.855 | S | S | * | * | trans | -79.3 | 140.5 | -173.6 | 32.3 | -35.1 | 0 | 0 | 0 | 112.3 | ||||
| 10 | N | 24.5 | Very low | 24.5 | Very low | 161 Ų | 161 | 157.4 Ų | 157.4 | 86% | 0.861 | 85% | 0.846 | S | S | * | * | trans | -114.9 | 133.3 | 163.7 | -90.2 | -19.9 | 0 | 0 | 0 | 109.8 | ||||
| 11 | H | 20.9 | Very low | 24.5 | Very low | 180 Ų | 180 | 155.8 Ų | 155.8 | 83% | 0.833 | 84% | 0.842 | S | S | * | * | trans | -65.3 | 142.5 | 165.7 | -73.2 | -94.2 | 0 | 0 | 0 | 110.7 | ||||
| 12 | I | 27.1 | Very low | 24.4 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | trans | -151.2 | 136 | 146.8 | -93.7 | 135.3 | 0 | 0 | 0 | 107.4 | ||||
| 13 | H | 20.6 | Very low | 24.4 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 88% | 0.88 | 82% | 0.824 | S | S | * | * | trans | -79.1 | 147.7 | 169.9 | -86.2 | -90.3 | 0 | 0 | 0 | 110.3 | ||||
| 14 | G | 26.4 | Very low | 24.1 | Very low | 71 Ų | 71 | 146.3 Ų | 146.3 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | -164.9 | 125.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 15 | D | 24.6 | Very low | 24.2 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | trans | -63.8 | 167.1 | -162.5 | -63.7 | -64.5 | 0 | 0 | 0 | 118.8 | ||||
| 16 | A | 21.2 | Very low | 24.3 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -56.2 | 143.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 17 | V | 28.5 | Very low | 24.4 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | -137.8 | 128.9 | 136.2 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 18 | E | 19.2 | Very low | 24.4 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -108.1 | 115 | 178.4 | 179.1 | 179.5 | -132.4 | 0 | 0 | 109 | ||||
| 19 | P | 28.4 | Very low | 24.5 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | trans | -104.1 | 130.4 | 165.7 | 33.8 | -26.5 | 0 | 0 | 0 | 111 | ||||
| 20 | T | 20.9 | Very low | 24.4 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 69% | 0.693 | 81% | 0.808 | S | S | * | * | trans | -81.6 | 174.3 | -177.7 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 21 | T | 24.5 | Very low | 24.6 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | 96.2 | 135.4 | 155.6 | 58.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 22 | D | 26.9 | Very low | 24.8 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | trans | 77.6 | 69 | 155.8 | -59.8 | -2.9 | 0 | 0 | 0 | 120.8 | S24 | D22-S24 PolarHBondContact O-N 3.42Š| ||
| 23 | D | 25.2 | Very low | 24.7 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 95% | 0.952 | 81% | 0.809 | S | S | * | * | trans | -59.1 | 94.8 | 153.3 | -78.2 | -49.1 | 0 | 0 | 0 | 111.9 | ||||
| 24 | S | 23.3 | Very low | 24.8 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -146.5 | 137.8 | 155.5 | 70.4 | 0 | 0 | 0 | 0 | 113.2 | D22 | D22-S24 PolarHBondContact O-N 3.42Š| ||
| 25 | M | 24.6 | Very low | 24.8 | Very low | 174 Ų | 174 | 146 Ų | 146 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 80.2 | 149.5 | 175.6 | -48.9 | -153.4 | 76.9 | 0 | 0 | 119.3 | ||
| 26 | T | 29.1 | Very low | 24.9 | Very low | 126 Ų | 126 | 144 Ų | 144 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 81.6 | 64.1 | 169.7 | 71.2 | 0 | 0 | 0 | 0 | 119.4 | S28 | T26-S28 PolarHBondContact O-N 3.25Š| ||
| 27 | S | 23.6 | Very low | 25 | Very low | 130 Ų | 130 | 149 Ų | 149 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -73.7 | 79.4 | 156 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 28 | S | 23.8 | Very low | 24.8 | Very low | 84 Ų | 84 | 148 Ų | 148 | 59% | 0.587 | 81% | 0.813 | S | S | * | * | trans | -155.4 | 16.3 | 172.2 | 68.5 | 0 | 0 | 0 | 0 | 118.6 | T26 | T26-S28 PolarHBondContact O-N 3.25Š| ||
| 29 | H | 25.1 | Very low | 25.1 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -139.8 | 83.1 | 176.2 | -76.8 | -68.4 | 0 | 0 | 0 | 114.8 | ||||
| 30 | Y | 24.5 | Very low | 24.7 | Very low | 236 Ų | 236 | 151.4 Ų | 151.4 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | -151.6 | 105.1 | 157.5 | -96.3 | -75.4 | 0 | 0 | 0 | 111.4 | ||||
| 31 | C | 29.2 | Very low | 24.8 | Very low | 134 Ų | 134 | 154 Ų | 154 | 91% | 0.905 | 83% | 0.827 | S | S | * | * | trans | -179.1 | 54.1 | 150.8 | -101 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 32 | F | 23.7 | Very low | 24.6 | Very low | 218 Ų | 218 | 155.8 Ų | 155.8 | 96% | 0.956 | 83% | 0.826 | S | S | * | * | trans | -100.6 | 114 | 152.5 | -87 | -78.1 | 0 | 0 | 0 | 108 | ||||
| 33 | G | 25.3 | Very low | 24.5 | Very low | 67 Ų | 67 | 157.7 Ų | 157.7 | 69% | 0.691 | 83% | 0.831 | S | S | * | * | trans | -149.2 | 61.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K35 | G33-K35 PolarHBondContact O-N 3.33Š| ||
| 34 | L | 23.6 | Very low | 24.4 | Very low | 165 Ų | 165 | 153 Ų | 153 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -58.6 | 124 | 174.3 | -72.1 | 166.3 | 0 | 0 | 0 | 110.2 | ||||
| 35 | K | 24.9 | Very low | 24.3 | Very low | 206 Ų | 206 | 158 Ų | 158 | 90% | 0.896 | 83% | 0.834 | S | S | * | * | trans | -98.7 | 85.4 | 171.3 | -73.4 | -172.8 | 177 | -178.3 | 0 | 110.2 | G33 | G33-K35 PolarHBondContact O-N 3.33Š| ||
| 36 | T | 26.5 | Very low | 24.3 | Very low | 129 Ų | 129 | 155.4 Ų | 155.4 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.3 | 165.4 | 45.9 | 0 | 0 | 0 | 0 | 109.8 | S38 | T36-S38 PolarHBondContact O-N 3.2Š|
| 37 | K | 24.9 | Very low | 24.1 | Very low | 197 Ų | 197 | 158.6 Ų | 158.6 | 86% | 0.857 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 117.3 | 179 | -72.2 | 176.8 | 179.7 | 171.8 | 0 | 109.4 | H39 | K37-H39 PolarHBondContact O-N 3.29Š|
| 38 | S | 23.9 | Very low | 24 | Very low | 118 Ų | 118 | 157.3 Ų | 157.3 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118.7 | 172.7 | 51 | 0 | 0 | 0 | 0 | 110.7 | T36 | T36-S38 PolarHBondContact O-N 3.2Š|
| 39 | H | 24.8 | Very low | 24 | Very low | 182 Ų | 182 | 161.4 Ų | 161.4 | 84% | 0.843 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 144.5 | 162.5 | -113.6 | -87.4 | 0 | 0 | 0 | 109.9 | K37 | K37-H39 PolarHBondContact O-N 3.29Š|
| 40 | E | 19.5 | Very low | 23.8 | Very low | 182 Ų | 182 | 158 Ų | 158 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 128.1 | 175.5 | -63.2 | 165.9 | 126.9 | 0 | 0 | 110.8 | ||
| 41 | I | 24.2 | Very low | 23.8 | Very low | 168 Ų | 168 | 158 Ų | 158 | 86% | 0.862 | 83% | 0.834 | S | S | * | * | trans | -130.8 | 138.2 | 153.9 | -63.1 | -175.1 | 0 | 0 | 0 | 108.2 | ||||
| 42 | H | 21 | Very low | 23.5 | Very low | 160 Ų | 160 | 158.8 Ų | 158.8 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | -75.7 | 160.9 | -172.3 | -108.5 | -121.5 | 0 | 0 | 0 | 114.3 | ||||
| 43 | E | 23 | Very low | 23.7 | Very low | 186 Ų | 186 | 154.5 Ų | 154.5 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | 74.3 | 146.5 | 154.1 | -71 | 177 | -168.5 | 0 | 0 | 121 | ||||
| 44 | G | 24.2 | Very low | 23.7 | Very low | 79 Ų | 79 | 158.2 Ų | 158.2 | 81% | 0.814 | 83% | 0.832 | S | S | * | * | trans | 144.4 | 70.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 45 | K | 21.2 | Very low | 23.7 | Very low | 205 Ų | 205 | 153.6 Ų | 153.6 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -83.8 | 128.7 | 175.9 | -63.8 | 164.4 | -178.1 | 160.5 | 0 | 111.6 | ||||
| 46 | S | 25 | Very low | 23.7 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -164.8 | 111.6 | 151.7 | -85.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 47 | K | 24.3 | Very low | 23.5 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | 67.6 | 100.9 | 60.1 | -76.8 | -165.4 | 174.3 | -177.4 | 0 | 116 | |||||
| 48 | S | 20.9 | Very low | 23.5 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | 56.5 | 119.9 | 136.3 | 61.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 49 | L | 23.6 | Very low | 23.6 | Very low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | 174.2 | 147.6 | 133.6 | -89.4 | 153.3 | 0 | 0 | 0 | 106 | ||||
| 50 | C | 22.4 | Very low | 23.5 | Very low | 100 Ų | 100 | 144 Ų | 144 | 68% | 0.676 | 81% | 0.814 | S | S | * | * | cis | -176.7 | 141.5 | -30.6 | -121.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 51 | R | 24 | Very low | 23.7 | Very low | 238 Ų | 238 | 140.8 Ų | 140.8 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | 74.9 | 128.7 | 154.8 | -66.7 | -176.2 | 170.4 | -177.8 | -2.8 | 121.5 | ||||
| 52 | N | 22.1 | Very low | 23.6 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -75.8 | 157 | 168.3 | -47.4 | -30.8 | 0 | 0 | 0 | 112.5 | ||||
| 53 | P | 29.3 | Very low | 23.8 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -82.1 | 169.3 | 144 | 34.6 | -29.8 | 0 | 0 | 0 | 111.7 | ||||
| 54 | V | 23.8 | Very low | 23.9 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | -119.3 | 137.2 | -159.2 | 170.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 55 | G | 24.1 | Very low | 24 | Very low | 69 Ų | 69 | 138.4 Ų | 138.4 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | 88 | 106.4 | 138.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 56 | S | 24.7 | Very low | 24 | Very low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | -178.6 | 127.5 | 100.5 | 62.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 57 | S | 23.2 | Very low | 23.9 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -7.8 | 143.3 | 146.1 | 56.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 58 | T | 24.6 | Very low | 24 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | cis | -152.8 | 133.2 | 22.5 | 46 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 59 | S | 25 | Very low | 23.9 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -157.3 | 108 | 152.9 | 51.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 60 | I | 24.6 | Very low | 24 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | trans | -89 | 110.7 | 179.7 | -65.9 | 171.8 | 0 | 0 | 0 | 108.8 | M62 | I60-M62 HydrophobicContact CG2-CG 4.29Š| ||
| 61 | S | 22.4 | Very low | 24.2 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -99.1 | 120.4 | 165.5 | 50.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 62 | M | 23 | Very low | 24.1 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | trans | -105.1 | 134.7 | 170 | -80.8 | -167.2 | 171.4 | 0 | 0 | 110.5 | I60 | I60-M62 HydrophobicContact CG2-CG 4.29Š| ||
| 63 | P | 25.6 | Very low | 24.2 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -86.6 | 129.9 | -173.2 | 32.8 | -34.2 | 0 | 0 | 0 | 112.8 | ||||
| 64 | I | 23.6 | Very low | 23.9 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -99.7 | 97.5 | 173.4 | -60.3 | 178 | 0 | 0 | 0 | 109.7 | ||||
| 65 | A | 26.3 | Very low | 23.9 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -71.8 | 134.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 66 | W | 20.7 | Very low | 23.6 | Very low | 240 Ų | 240 | 149.4 Ų | 149.4 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -76.1 | 130.2 | 173.6 | -82.1 | 41.1 | 0 | 0 | 0 | 111.4 | K68 | W66-K68 PolarHBondContact O-N 3.23Š| ||
| 67 | P | 24.5 | Very low | 23.5 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | trans | -78.3 | 114.3 | -178.5 | 29.6 | -33.5 | 0 | 0 | 0 | 112.2 | R69 | P67-R69 PolarHBondContact O-N 3.09Š| ||
| 68 | K | 24.7 | Very low | 23.3 | Very low | 197 Ų | 197 | 151.9 Ų | 151.9 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -61.1 | 114.4 | 167.9 | -69.7 | 179.2 | 178.5 | 176.4 | 0 | 110.1 | W66 V70 | W66-K68 PolarHBondContact O-N 3.23Å; K68-V70 HydrophobicContact CB-CG2 4.38Å; K68-V70 PolarHBondContact O-N 3.39Å | ||
| 69 | R | 20.5 | Very low | 23 | Very low | 222 Ų | 222 | 151 Ų | 151 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -87.3 | 87.5 | 171 | -166.5 | -173.7 | -65.8 | -148.7 | 6.1 | 109.5 | P67 | P67-R69 PolarHBondContact O-N 3.09Š| ||
| 70 | V | 26 | Very low | 22.9 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 148.6 | 172.3 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | K68 | K68-V70 HydrophobicContact CB-CG2 4.38Å; K68-V70 PolarHBondContact O-N 3.39Å |
| 71 | G | 26.1 | Very low | 22.6 | Very low | 69 Ų | 69 | 152.6 Ų | 152.6 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68 | 166.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | R73 | G71-R73 PolarHBondContact O-N 2.92Š|
| 72 | S | 22.1 | Very low | 22.5 | Very low | 126 Ų | 126 | 157.2 Ų | 157.2 | 88% | 0.881 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 122.8 | -173.3 | -48.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 73 | R | 22.4 | Very low | 22.3 | Very low | 255 Ų | 255 | 158.1 Ų | 158.1 | 96% | 0.962 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 131.9 | 159.7 | -94.5 | -179.1 | 173.4 | 167.5 | -2.6 | 109.7 | G71 | G71-R73 PolarHBondContact O-N 2.92Š|
| 74 | K | 23.3 | Very low | 22.1 | Very low | 200 Ų | 200 | 159.5 Ų | 159.5 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -130.7 | 140.8 | 163.5 | -133.1 | -179.2 | -174.6 | -177.7 | 0 | 108.3 | ||||
| 75 | K | 23.6 | Very low | 22.1 | Very low | 208 Ų | 208 | 159.7 Ų | 159.7 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | 79.4 | 120.7 | 179.9 | -61.9 | -167.7 | 172 | -171.7 | 0 | 117.9 | ||||
| 76 | S | 19.4 | Very low | 21.8 | Very low | 100 Ų | 100 | 160.5 Ų | 160.5 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | -80.2 | 146.7 | 148.5 | 52.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 77 | N | 21.2 | Very low | 22.1 | Very low | 151 Ų | 151 | 158.4 Ų | 158.4 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | 168.3 | 146.1 | 123.1 | -87.4 | 16.2 | 0 | 0 | 0 | 110.9 | |||||
| 78 | T | 19.7 | Very low | 21.8 | Very low | 121 Ų | 121 | 159.6 Ų | 159.6 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | -51.5 | 154.2 | 178.1 | 44 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 79 | S | 18.5 | Very low | 21.6 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | 65.4 | 128.9 | 153.2 | -48.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 80 | T | 22.1 | Very low | 21.7 | Very low | 138 Ų | 138 | 148 Ų | 148 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | cis | -153 | 171.2 | 48.3 | 12.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 81 | E | 18 | Very low | 21.4 | Very low | 175 Ų | 175 | 150.5 Ų | 150.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -69.5 | 144.4 | 174.9 | -62.8 | 151.5 | 138.7 | 0 | 0 | 112.7 | ||||
| 82 | F | 21.9 | Very low | 21.4 | Very low | 212 Ų | 212 | 156.7 Ų | 156.7 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -152.6 | 119.1 | 143.8 | -113.6 | -78.6 | 0 | 0 | 0 | 108.4 | ||||
| 83 | E | 18.6 | Very low | 21.3 | Very low | 185 Ų | 185 | 160.2 Ų | 160.2 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -75.4 | 135.6 | 168.9 | -63 | -178.5 | 114.8 | 0 | 0 | 109.8 | ||||
| 84 | E | 21.6 | Very low | 21.6 | Very low | 153 Ų | 153 | 153.8 Ų | 153.8 | 72% | 0.715 | 81% | 0.811 | S | S | * | * | trans | -157.8 | 118.1 | 130.7 | -113.2 | -167 | 142.7 | 0 | 0 | 112.2 | ||||
| 85 | K | 22.4 | Very low | 21.5 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | 57.3 | 107.4 | 144.2 | -66.7 | 163.6 | -175.9 | 162.9 | 0 | 119.6 | ||||
| 86 | S | 21.5 | Very low | 21.6 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | 47.6 | 126.2 | 134.1 | 60.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 87 | E | 25.1 | Very low | 21.8 | Very low | 196 Ų | 196 | 150.3 Ų | 150.3 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | cis | -139.5 | 143 | 23.5 | -64 | 173.6 | 115.1 | 0 | 0 | 112.2 | ||||
| 88 | C | 18.9 | Very low | 22.3 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | trans | -124.7 | 130.6 | 169.8 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 89 | G | 21.7 | Very low | 22.6 | Very low | 65 Ų | 65 | 148 Ų | 148 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | trans | -142.2 | -6.5 | -160.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 90 | T | 20.9 | Very low | 23 | Very low | 111 Ų | 111 | 150.1 Ų | 150.1 | 68% | 0.681 | 81% | 0.81 | S | S | * | * | trans | 61.1 | 143.4 | 163.5 | 37.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 91 | K | 20.7 | Very low | 23.3 | Very low | 180 Ų | 180 | 150 Ų | 150 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 62.6 | 109.3 | 139.3 | -65.7 | 163.1 | -173.3 | 169.9 | 0 | 119.5 | ||||
| 92 | K | 25.9 | Very low | 24.2 | Very low | 199 Ų | 199 | 146.2 Ų | 146.2 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | -172 | 132.3 | 89.5 | -99.1 | 164.6 | -175.1 | 174.4 | 0 | 111.9 | |||||
| 93 | Q | 20.8 | Very low | 24.6 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -78 | 130 | 155.2 | -70.1 | 166.7 | -41.3 | 0 | 0 | 107.4 | ||||
| 94 | S | 27.2 | Very low | 25.4 | Very low | 121 Ų | 121 | 145 Ų | 145 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -110.6 | 125.1 | 159.8 | 49.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 95 | L | 21.1 | Very low | 26 | Very low | 155 Ų | 155 | 144 Ų | 144 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -91.4 | 137.6 | -178.7 | -153 | 82.6 | 0 | 0 | 0 | 108.6 | ||||
| 96 | T | 26.5 | Very low | 26.7 | Very low | 135 Ų | 135 | 143 Ų | 143 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | 165.8 | 149.3 | 128.7 | 39.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 97 | D | 22.7 | Very low | 27.6 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -89.2 | 139.6 | -166 | -53.2 | -90.6 | 0 | 0 | 0 | 114.7 | ||||
| 98 | V | 31.5 | Very low | 28.5 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | trans | -133 | 91.6 | 145.9 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 99 | A | 27.8 | Very low | 29.8 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | trans | -78.4 | 160.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 100 | N | 26.1 | Very low | 31.9 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 75.5 | 57.2 | 175.9 | -57.7 | -18.6 | 0 | 0 | 0 | 117.7 | ||
| 101 | N | 28.6 | Very low | 33.3 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -150.3 | -1.2 | 142.6 | -109.6 | -33.8 | 0 | 0 | 0 | 115.9 | K103 | N101-K103 PolarHBondContact O-N 3.34Š|
| 102 | D | 35.7 | Very low | 35.1 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 51% | 0.508 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -81.1 | -6.3 | -170 | -83 | -12.8 | 0 | 0 | 0 | 116.8 | K106 | D102-K106 WeakPolarHBondContact O-CB 3.48Å; D102-K106 WeakPolarHBondContact O-CG 3.41Å; D102-K106 PolarHBondContact O-N 3.24Å |
| 103 | K | 32.1 | Very low | 36.8 | Very low | 181 Ų | 181 | 132 Ų | 132 | 79% | 0.787 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -67.2 | -44 | -178.8 | -158 | 179.3 | -178.2 | -172.6 | 0 | 111.3 | N101 E107 | N101-K103 PolarHBondContact O-N 3.34Å; K103-E107 PolarHBondContact O-N 3Å |
| 104 | Y | 33.6 | Very low | 38.5 | Very low | 191 Ų | 191 | 131.8 Ų | 131.8 | 75% | 0.749 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.7 | -41 | 175.7 | -76.3 | -81 | 0 | 0 | 0 | 112.5 | E107 T108 | Y104-E107 PolarHBondContact O-N 3.37Å; Y104-T108 PolarHBondContact O-N 3.44Å; Y104-T108 PolarHBondContact O-OG1 2.84Å |
| 105 | K | 36.1 | Very low | 40 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 57% | 0.574 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.4 | -46.8 | 175.9 | -85.9 | -177.2 | 175.6 | 174.3 | 0 | 112.6 | E107 T108 D109 | K105-E107 VanDerWaalsContact C-N 3.27Å; K105-E107 PolarHBondContact O-N 3Å; K105-T108 PolarHBondContact O-N 2.89Å; K105-T108 PolarHBondContact O-OG1 3Å; K105-D109 WeakPolarHBondContact O-CB 3.3Å; K105-D109 PolarHBondContact O-N 2.97Å |
| 106 | K | 35.7 | Very low | 41.6 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 61% | 0.613 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.1 | -32.6 | 179.1 | -81.1 | 178 | 176.7 | 167.8 | 0 | 113.4 | D102 T110 | D102-K106 WeakPolarHBondContact O-CB 3.48Å; D102-K106 WeakPolarHBondContact O-CG 3.41Å; D102-K106 PolarHBondContact O-N 3.24Å; K106-T110 WeakPolarHBondContact O-CB 3.46Å; K106-T110 VanDerWaalsContact O-CG2 3.29Å; K106-T110 WeakPolarHBondContact O-CG2 3.31Å; K106-T110 PolarHBondContact O-N 2.95Å; K106-T110 PolarHBondContact O-OG1 3.29Å |
| 107 | E | 40 | Very low | 43.1 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.9 | -41.4 | 177.8 | -161.6 | 141.4 | -141.9 | 0 | 0 | 111.6 | K103 Y104 K105 T110 Q111 | K103-E107 PolarHBondContact O-N 3Å; Y104-E107 PolarHBondContact O-N 3.37Å; K105-E107 VanDerWaalsContact C-N 3.27Å; K105-E107 PolarHBondContact O-N 3Å; E107-T110 WeakPolarHBondContact CA-OG1 3.39Å; E107-T110 PolarHBondContact O-N 3.44Å; E107-T110 PolarHBondContact O-OG1 2.93Å; E107-T110 VanDerWaalsContact O-OG1 3.1Å; E107-Q111 PolarHBondContact O-N 3.18Å |
| 108 | T | 44 | Very low | 45 | Very low | 78 Ų | 78 | 128.5 Ų | 128.5 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.7 | -39.3 | 172.2 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | Y104 K105 Q111 K112 | Y104-T108 PolarHBondContact O-N 3.44Å; Y104-T108 PolarHBondContact O-OG1 2.84Å; K105-T108 PolarHBondContact O-N 2.89Å; K105-T108 PolarHBondContact O-OG1 3Å; T108-Q111 PolarHBondContact O-N 3.21Å; T108-K112 PolarHBondContact O-N 3.36Å |
| 109 | D | 46.5 | Very low | 46.1 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 43% | 0.428 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.8 | -35.8 | 178.4 | -77 | -24.4 | 0 | 0 | 0 | 111.8 | K105 K112 Q113 | K105-D109 WeakPolarHBondContact O-CB 3.3Å; K105-D109 PolarHBondContact O-N 2.97Å; D109-K112 PolarHBondContact O-N 2.87Å; D109-Q113 VanDerWaalsContact O-CB 3.31Å; D109-Q113 WeakPolarHBondContact O-CB 3.5Å; D109-Q113 VanDerWaalsContact O-CG 3.25Å; D109-Q113 WeakPolarHBondContact O-CG 3.29Å; D109-Q113 PolarHBondContact O-N 3.45Å |
| 110 | T | 66.6 | Low | 47.4 | Very low | 65 Ų | 65 | 124.8 Ų | 124.8 | 40% | 0.399 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.4 | -31.6 | 173.6 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | K106 E107 R114 | K106-T110 WeakPolarHBondContact O-CB 3.46Å; K106-T110 VanDerWaalsContact O-CG2 3.29Å; K106-T110 WeakPolarHBondContact O-CG2 3.31Å; K106-T110 PolarHBondContact O-N 2.95Å; K106-T110 PolarHBondContact O-OG1 3.29Å; E107-T110 WeakPolarHBondContact CA-OG1 3.39Å; E107-T110 PolarHBondContact O-N 3.44Å; E107-T110 PolarHBondContact O-OG1 2.93Å; E107-T110 VanDerWaalsContact O-OG1 3.1Å; T110-R114 WeakPolarHBondContact O-CB 3.37Å; T110-R114 VanDerWaalsContact O-CG 3.22Å; T110-R114 WeakPolarHBondContact O-CG 3.45Å; T110-R114 PolarHBondContact O-N 3.18Å |
| 111 | Q | 49.5 | Very low | 49 | Very low | 140 Ų | 140 | 120 Ų | 120 | 65% | 0.654 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.5 | -49.8 | 167.4 | -83.4 | -168.2 | -3.9 | 0 | 0 | 112 | E107 T108 Q113 R114 F115 | E107-Q111 PolarHBondContact O-N 3.18Å; T108-Q111 PolarHBondContact O-N 3.21Å; Q111-Q113 VanDerWaalsContact C-N 3.33Å; Q111-Q113 PolarHBondContact O-N 3.04Å; Q111-R114 PolarHBondContact O-N 3.24Å; Q111-F115 WeakPolarHBondContact O-CB 3.25Å; Q111-F115 PolarHBondContact O-N 3.39Å |
| 112 | K | 59.2 | Low | 50.2 | Low | 136 Ų | 136 | 115.8 Ų | 115.8 | 59% | 0.591 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -56.9 | -45.1 | 175.2 | -81.4 | -178.6 | 176.2 | 175.4 | 0 | 111.8 | T108 D109 F115 W116 | T108-K112 PolarHBondContact O-N 3.36Å; D109-K112 PolarHBondContact O-N 2.87Å; K112-F115 PolarHBondContact O-N 3.34Å; K112-W116 PolarHBondContact O-N 3.31Å |
| 113 | Q | 60.8 | Low | 50.8 | Low | 133 Ų | 133 | 115.2 Ų | 115.2 | 62% | 0.621 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 176.8 | -74.6 | 179 | 11.5 | 0 | 0 | 112.3 | D109 Q111 R117 | D109-Q113 VanDerWaalsContact O-CB 3.31Å; D109-Q113 WeakPolarHBondContact O-CB 3.5Å; D109-Q113 VanDerWaalsContact O-CG 3.25Å; D109-Q113 WeakPolarHBondContact O-CG 3.29Å; D109-Q113 PolarHBondContact O-N 3.45Å; Q111-Q113 VanDerWaalsContact C-N 3.33Å; Q111-Q113 PolarHBondContact O-N 3.04Å; Q113-R117 WeakPolarHBondContact O-CB 3.31Å; Q113-R117 PolarHBondContact O-N 3.23Å |
| 114 | R | 57.7 | Low | 51.8 | Low | 195 Ų | 195 | 108.1 Ų | 108.1 | 74% | 0.736 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 174 | -78.7 | 173.9 | 178.7 | -168.8 | 2 | 111.8 | T110 Q111 R117 F118 | T110-R114 WeakPolarHBondContact O-CB 3.37Å; T110-R114 VanDerWaalsContact O-CG 3.22Å; T110-R114 WeakPolarHBondContact O-CG 3.45Å; T110-R114 PolarHBondContact O-N 3.18Å; Q111-R114 PolarHBondContact O-N 3.24Å; R114-R117 PolarHBondContact O-N 3.4Å; R114-F118 PolarHBondContact O-N 3.39Å |
| 115 | F | 57.3 | Low | 52.6 | Low | 117 Ų | 117 | 106 Ų | 106 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -51.5 | 176.2 | -178.5 | -94 | 0 | 0 | 0 | 111.7 | Q111 K112 R117 F118 F119 | Q111-F115 WeakPolarHBondContact O-CB 3.25Å; Q111-F115 PolarHBondContact O-N 3.39Å; K112-F115 PolarHBondContact O-N 3.34Å; F115-R117 VanDerWaalsContact C-N 3.33Å; F115-R117 PolarHBondContact O-N 3.48Å; F115-F118 WeakPolarHBondContact O-CB 3.22Å; F115-F118 PolarHBondContact O-N 3.19Å; F115-F119 HydrophobicContact CD1-CD2 4.33Å; F115-F119 HydrophobicContact CD1-CE2 4.44Å; F115-F119 HydrophobicContact CD2-CE2 4.46Å; F115-F119 HydrophobicContact CE1-CD2 4.03Å; F115-F119 AromaticContact CE1-CE2 3.82Å; F115-F119 HydrophobicContact CE1-CE2 3.82Å; F115-F119 AromaticContact CE2-CE2 3.84Å; F115-F119 HydrophobicContact CE2-CE2 3.84Å; F115-F119 HydrophobicContact CZ-CD2 4.16Å; F115-F119 AromaticContact CZ-CE2 3.49Å; F115-F119 HydrophobicContact CZ-CE2 3.49Å; F115-F119 VanDerWaalsContact CZ-CE2 3.49Å; F115-F119 HydrophobicContact CZ-CZ 4.37Å; F115-F119 PolarHBondContact O-N 3.33Å |
| 116 | W | 55.7 | Low | 53.7 | Low | 103 Ų | 103 | 104.6 Ų | 104.6 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -34.9 | 176.8 | -73.7 | 117.5 | 0 | 0 | 0 | 113.1 | K112 F118 F119 R120 P141 | K112-W116 PolarHBondContact O-N 3.31Å; W116-F118 VanDerWaalsContact C-N 3.33Å; W116-F118 PolarHBondContact O-N 2.96Å; W116-F119 PolarHBondContact O-N 3.24Å; W116-R120 WeakPolarHBondContact O-CG 3.29Å; W116-R120 PolarHBondContact O-N 3.1Å; W116-P141 HydrophobicContact CH2-CB 3.88Å; W116-P141 HydrophobicContact CH2-CG 4.45Å; W116-P141 HydrophobicContact CZ3-CB 3.83Å; W116-P141 HydrophobicContact CZ3-CG 4.46Å |
| 117 | R | 58.9 | Low | 55.1 | Low | 142 Ų | 142 | 100.8 Ų | 100.8 | 54% | 0.536 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66 | -34.4 | 174.9 | -166.3 | 178 | -165.2 | -174.1 | 5.6 | 112.2 | Q113 R114 F115 I121 L135 | Q113-R117 WeakPolarHBondContact O-CB 3.31Å; Q113-R117 PolarHBondContact O-N 3.23Å; R114-R117 PolarHBondContact O-N 3.4Å; F115-R117 VanDerWaalsContact C-N 3.33Å; F115-R117 PolarHBondContact O-N 3.48Å; R117-I121 HydrophobicContact CG-CD1 3.82Å; R117-I121 HydrophobicContact CG-CG1 4.49Å; R117-I121 WeakPolarHBondContact O-CB 3.34Å; R117-I121 WeakPolarHBondContact O-CG1 3.12Å; R117-I121 PolarHBondContact O-N 2.82Å; R117-I121 VanDerWaalsContact O-N 3.14Å; R117-L135 HydrophobicContact CG-CD2 4.31Å |
| 118 | F | 61.7 | Low | 56.3 | Low | 124 Ų | 124 | 104 Ų | 104 | 54% | 0.544 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 171.5 | 174.9 | -95.3 | 0 | 0 | 0 | 111.1 | R114 F115 W116 I121 G122 F123 | R114-F118 PolarHBondContact O-N 3.39Å; F115-F118 WeakPolarHBondContact O-CB 3.22Å; F115-F118 PolarHBondContact O-N 3.19Å; W116-F118 VanDerWaalsContact C-N 3.33Å; W116-F118 PolarHBondContact O-N 2.96Å; F118-I121 PolarHBondContact O-N 3.41Å; F118-G122 WeakPolarHBondContact O-CA 3.41Å; F118-G122 PolarHBondContact O-N 2.85Å; F118-F123 HydrophobicContact CE1-CE2 4.35Å |
| 119 | F | 54 | Low | 57.5 | Low | 58 Ų | 58 | 108 Ų | 108 | 25% | 0.254 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 177.4 | -83.9 | -85 | 0 | 0 | 0 | 113.4 | F115 W116 I121 F123 | F115-F119 HydrophobicContact CD1-CD2 4.33Å; F115-F119 HydrophobicContact CD1-CE2 4.44Å; F115-F119 HydrophobicContact CD2-CE2 4.46Å; F115-F119 HydrophobicContact CE1-CD2 4.03Å; F115-F119 AromaticContact CE1-CE2 3.82Å; F115-F119 HydrophobicContact CE1-CE2 3.82Å; F115-F119 AromaticContact CE2-CE2 3.84Å; F115-F119 HydrophobicContact CE2-CE2 3.84Å; F115-F119 HydrophobicContact CZ-CD2 4.16Å; F115-F119 AromaticContact CZ-CE2 3.49Å; F115-F119 HydrophobicContact CZ-CE2 3.49Å; F115-F119 VanDerWaalsContact CZ-CE2 3.49Å; F115-F119 HydrophobicContact CZ-CZ 4.37Å; F115-F119 PolarHBondContact O-N 3.33Å; W116-F119 PolarHBondContact O-N 3.24Å; F119-I121 PolarHBondContact O-N 3.04Å; F119-F123 HydrophobicContact CD1-CE2 4.18Å; F119-F123 HydrophobicContact CE1-CE2 4.36Å |
| 120 | R | 55.9 | Low | 58 | Low | 88 Ų | 88 | 108.8 Ų | 108.8 | 33% | 0.332 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -36.9 | 178 | -71.6 | -178.8 | -170.7 | 172.4 | 3.8 | 113.6 | W116 T124 | W116-R120 WeakPolarHBondContact O-CG 3.29Å; W116-R120 PolarHBondContact O-N 3.1Å; R120-T124 WeakPolarHBondContact O-CG2 3.41Å |
| 121 | I | 59.7 | Low | 58 | Low | 54 Ų | 54 | 108.6 Ų | 108.6 | 28% | 0.277 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -97.6 | -41.6 | -173.9 | -59.4 | 177.7 | 0 | 0 | 0 | 112.3 | R117 F118 F119 F123 T124 K131 L135 | R117-I121 HydrophobicContact CG-CD1 3.82Å; R117-I121 HydrophobicContact CG-CG1 4.49Å; R117-I121 WeakPolarHBondContact O-CB 3.34Å; R117-I121 WeakPolarHBondContact O-CG1 3.12Å; R117-I121 PolarHBondContact O-N 2.82Å; R117-I121 VanDerWaalsContact O-N 3.14Å; F118-I121 PolarHBondContact O-N 3.41Å; F119-I121 PolarHBondContact O-N 3.04Å; I121-F123 PolarHBondContact O-N 3.48Å; I121-F123 VanDerWaalsContact O-N 3.09Å; I121-T124 PolarHBondContact O-N 3.28Å; I121-T124 PolarHBondContact O-OG1 2.77Å; I121-K131 HydrophobicContact CG2-CD 4.31Å; I121-L135 HydrophobicContact CD1-CD2 4.31Å |
| 122 | G | 54.6 | Low | 58.6 | Low | 49 Ų | 49 | 104.5 Ų | 104.5 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -27.1 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F118 | F118-G122 WeakPolarHBondContact O-CA 3.41Å; F118-G122 PolarHBondContact O-N 2.85Å |
| 123 | F | 46.9 | Very low | 58.4 | Low | 83 Ų | 83 | 101.8 Ų | 101.8 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 2.6 | -175.4 | -57.8 | -74.9 | 0 | 0 | 0 | 114.3 | F118 F119 I121 V148 K151 | F118-F123 HydrophobicContact CE1-CE2 4.35Å; F119-F123 HydrophobicContact CD1-CE2 4.18Å; F119-F123 HydrophobicContact CE1-CE2 4.36Å; I121-F123 PolarHBondContact O-N 3.48Å; I121-F123 VanDerWaalsContact O-N 3.09Å; F123-V148 HydrophobicContact CB-CG2 4.26Å; F123-V148 HydrophobicContact CD2-CG2 3.68Å; F123-V148 HydrophobicContact CE2-CG2 4.17Å; F123-V148 HydrophobicContact CG-CG2 3.89Å; F123-K151 WeakPolarHBondContact O-CE 3.48Å; F123-K151 PolarHBondContact O-NZ 3.14Å |
| 124 | T | 53.8 | Low | 58.2 | Low | 32 Ų | 32 | 96.5 Ų | 96.5 | 20% | 0.196 | 46% | 0.455 | C | S | . | . | trans | -92.9 | 133.9 | -177.1 | 66 | 0 | 0 | 0 | 0 | 112.9 | R120 I121 K126 K131 L134 | R120-T124 WeakPolarHBondContact O-CG2 3.41Å; I121-T124 PolarHBondContact O-N 3.28Å; I121-T124 PolarHBondContact O-OG1 2.77Å; T124-K126 PolarHBondContact O-N 2.95Å; T124-K131 WeakPolarHBondContact O-CE 3.38Å; T124-K131 PolarHBondContact O-NZ 3.37Å; T124-K131 WeakPolarHBondContact OG1-CE 3.42Å; T124-L134 HydrophobicContact CG2-CD1 4.08Å | ||
| 125 | N | 50.4 | Low | 58 | Low | 147 Ų | 147 | 90.7 Ų | 90.7 | 79% | 0.786 | 44% | 0.438 | S | S | * | . | trans | -84.5 | 5.3 | 173.4 | -72 | 17.5 | 0 | 0 | 0 | 112.8 | K151 | N125-K151 PolarHBondContact OD1-NZ 2.85Š| ||
| 126 | K | 59.8 | Low | 57.8 | Low | 102 Ų | 102 | 89.1 Ų | 89.1 | 44% | 0.443 | 44% | 0.442 | S | S | . | . | trans | -65.3 | 151.9 | -177.1 | -63.2 | -156.9 | -166.5 | 179.8 | 0 | 112.1 | T124 Q130 K131 L134 | T124-K126 PolarHBondContact O-N 2.95Å; K126-Q130 HydrophobicContact CB-CB 3.74Å; K126-Q130 HydrophobicContact CD-CB 4.07Å; K126-Q130 HydrophobicContact CG-CB 4.46Å; K126-K131 HydrophobicContact CB-CG 4.28Å; K126-K131 WeakPolarHBondContact O-CD 3.46Å; K126-K131 WeakPolarHBondContact O-CE 3.5Å; K126-L134 HydrophobicContact CD-CD1 3.78Å; K126-L134 HydrophobicContact CD-CG 4.31Å; K126-L134 HydrophobicContact CG-CD1 4.39Å | ||
| 127 | S | 63.5 | Low | 57.3 | Low | 60 Ų | 60 | 89.5 Ų | 89.5 | 42% | 0.42 | 45% | 0.452 | S | S | . | . | trans | -64.9 | 165.5 | -179.3 | 76.9 | 0 | 0 | 0 | 0 | 112.4 | K129 Q130 K131 | S127-K129 PolarHBondContact O-N 2.79Å; S127-Q130 PolarHBondContact O-N 2.92Å; S127-Q130 WeakPolarHBondContact OG-CG 3.42Å; S127-Q130 PolarHBondContact OG-N 3.09Å; S127-K131 WeakPolarHBondContact O-CB 3.5Å; S127-K131 WeakPolarHBondContact O-CG 3.22Å; S127-K131 PolarHBondContact O-N 3.4Å | ||
| 128 | K | 66.7 | Low | 56.4 | Low | 198 Ų | 198 | 91.5 Ų | 91.5 | 86% | 0.861 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -54.1 | -38.6 | 178 | -93.4 | -174.8 | 176.6 | 177.8 | 0 | 113 | K131 A132 | K128-K131 PolarHBondContact O-N 2.85Å; K128-A132 PolarHBondContact O-N 3.32Å |
| 129 | K | 67.9 | Low | 55.8 | Low | 163 Ų | 163 | 88.6 Ų | 88.6 | 71% | 0.709 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.1 | -52 | 177.1 | -171.3 | 176.5 | 179 | -177.9 | 0 | 111 | S127 K131 A132 D133 | S127-K129 PolarHBondContact O-N 2.79Å; K129-K131 PolarHBondContact O-N 3.4Å; K129-A132 WeakPolarHBondContact O-CA 3.39Å; K129-A132 VanDerWaalsContact O-CB 3.31Å; K129-A132 WeakPolarHBondContact O-CB 3.49Å; K129-A132 PolarHBondContact O-N 3.38Å; K129-D133 VanDerWaalsContact O-CG 3.32Å; K129-D133 PolarHBondContact O-N 3.11Å |
| 130 | Q | 58.5 | Low | 55.5 | Low | 95 Ų | 95 | 88.2 Ų | 88.2 | 44% | 0.444 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.1 | -26.4 | 176.5 | -68.2 | 170.2 | -17.3 | 0 | 0 | 113.7 | K126 S127 L134 | K126-Q130 HydrophobicContact CB-CB 3.74Å; K126-Q130 HydrophobicContact CD-CB 4.07Å; K126-Q130 HydrophobicContact CG-CB 4.46Å; S127-Q130 PolarHBondContact O-N 2.92Å; S127-Q130 WeakPolarHBondContact OG-CG 3.42Å; S127-Q130 PolarHBondContact OG-N 3.09Å; Q130-L134 WeakPolarHBondContact O-CB 3.08Å; Q130-L134 VanDerWaalsContact O-CG 3.29Å; Q130-L134 WeakPolarHBondContact O-CG 3.07Å; Q130-L134 PolarHBondContact O-N 2.82Å |
| 131 | K | 64.8 | Low | 54.9 | Low | 62 Ų | 62 | 86.8 Ų | 86.8 | 27% | 0.27 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -74.8 | -23.3 | 171.5 | -79.1 | 177.8 | 170.5 | 174.1 | 0 | 113.2 | I121 T124 K126 S127 K128 K129 | I121-K131 HydrophobicContact CG2-CD 4.31Å; T124-K131 WeakPolarHBondContact O-CE 3.38Å; T124-K131 PolarHBondContact O-NZ 3.37Å; T124-K131 WeakPolarHBondContact OG1-CE 3.42Å; K126-K131 HydrophobicContact CB-CG 4.28Å; K126-K131 WeakPolarHBondContact O-CD 3.46Å; K126-K131 WeakPolarHBondContact O-CE 3.5Å; S127-K131 WeakPolarHBondContact O-CB 3.5Å; S127-K131 WeakPolarHBondContact O-CG 3.22Å; S127-K131 PolarHBondContact O-N 3.4Å; K128-K131 PolarHBondContact O-N 2.85Å; K129-K131 PolarHBondContact O-N 3.4Å |
| 132 | A | 63.5 | Low | 54.1 | Low | 54 Ų | 54 | 90.4 Ų | 90.4 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -79 | -40.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K128 K129 L134 L135 | K128-A132 PolarHBondContact O-N 3.32Å; K129-A132 WeakPolarHBondContact O-CA 3.39Å; K129-A132 VanDerWaalsContact O-CB 3.31Å; K129-A132 WeakPolarHBondContact O-CB 3.49Å; K129-A132 PolarHBondContact O-N 3.38Å; A132-L134 VanDerWaalsContact C-N 3.26Å; A132-L134 PolarHBondContact O-N 3.1Å; A132-L135 WeakPolarHBondContact O-CA 3.16Å; A132-L135 VanDerWaalsContact O-CB 3.3Å; A132-L135 WeakPolarHBondContact O-CB 3.46Å; A132-L135 PolarHBondContact O-N 3.5Å |
| 133 | D | 55.4 | Low | 53.9 | Low | 79 Ų | 79 | 91.8 Ų | 91.8 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.8 | -31.1 | 175.4 | -50 | -32.9 | 0 | 0 | 0 | 111.7 | K129 L135 S136 N137 | K129-D133 VanDerWaalsContact O-CG 3.32Å; K129-D133 PolarHBondContact O-N 3.11Å; D133-L135 PolarHBondContact O-N 3.21Å; D133-S136 PolarHBondContact O-N 3.41Å; D133-S136 PolarHBondContact O-OG 3.2Å; D133-N137 PolarHBondContact O-N 3.21Å |
| 134 | L | 55.4 | Low | 53.9 | Low | 22 Ų | 22 | 88.6 Ų | 88.6 | 12% | 0.115 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -66 | -8.8 | 168.5 | -83 | 176 | 0 | 0 | 0 | 114.7 | T124 K126 Q130 A132 I139 | T124-L134 HydrophobicContact CG2-CD1 4.08Å; K126-L134 HydrophobicContact CD-CD1 3.78Å; K126-L134 HydrophobicContact CD-CG 4.31Å; K126-L134 HydrophobicContact CG-CD1 4.39Å; Q130-L134 WeakPolarHBondContact O-CB 3.08Å; Q130-L134 VanDerWaalsContact O-CG 3.29Å; Q130-L134 WeakPolarHBondContact O-CG 3.07Å; Q130-L134 PolarHBondContact O-N 2.82Å; A132-L134 VanDerWaalsContact C-N 3.26Å; A132-L134 PolarHBondContact O-N 3.1Å; L134-I139 HydrophobicContact CD2-CD1 3.33Å; L134-I139 HydrophobicContact CD2-CG1 4.35Å |
| 135 | L | 54.3 | Low | 53.3 | Low | 72 Ų | 72 | 91.8 Ų | 91.8 | 38% | 0.377 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -96.2 | -16.1 | 172.5 | -66.5 | 168.7 | 0 | 0 | 0 | 112.7 | R117 I121 A132 D133 | R117-L135 HydrophobicContact CG-CD2 4.31Å; I121-L135 HydrophobicContact CD1-CD2 4.31Å; A132-L135 WeakPolarHBondContact O-CA 3.16Å; A132-L135 VanDerWaalsContact O-CB 3.3Å; A132-L135 WeakPolarHBondContact O-CB 3.46Å; A132-L135 PolarHBondContact O-N 3.5Å; D133-L135 PolarHBondContact O-N 3.21Å |
| 136 | S | 53.5 | Low | 53.2 | Low | 85 Ų | 85 | 92.7 Ų | 92.7 | 59% | 0.594 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -90.6 | -24.7 | 177 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | D133 | D133-S136 PolarHBondContact O-N 3.41Å; D133-S136 PolarHBondContact O-OG 3.2Å |
| 137 | N | 43.6 | Very low | 52.7 | Low | 111 Ų | 111 | 92.3 Ų | 92.3 | 59% | 0.594 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -108.5 | 128.4 | -177.6 | -64.3 | 16.9 | 0 | 0 | 0 | 110.9 | D133 I139 | D133-N137 PolarHBondContact O-N 3.21Å; N137-I139 PolarHBondContact O-N 3.4Å |
| 138 | E | 41 | Very low | 52 | Low | 183 Ų | 183 | 91.1 Ų | 91.1 | 86% | 0.855 | 46% | 0.463 | S | S | * | . | trans | -73.1 | 92.7 | -179.9 | -62.4 | -159.4 | 141.3 | 0 | 0 | 111.8 | ||||
| 139 | I | 48.9 | Very low | 51.3 | Low | 64 Ų | 64 | 85.2 Ų | 85.2 | 33% | 0.328 | 45% | 0.446 | S | S | . | . | trans | -77.4 | 130.4 | 165.6 | -64.2 | -169.8 | 0 | 0 | 0 | 109.5 | L134 N137 D143 | L134-I139 HydrophobicContact CD2-CD1 3.33Å; L134-I139 HydrophobicContact CD2-CG1 4.35Å; N137-I139 PolarHBondContact O-N 3.4Å; I139-D143 HydrophobicContact CG2-CB 3.62Å | ||
| 140 | S | 47.4 | Very low | 50.2 | Low | 49 Ų | 49 | 81.7 Ų | 81.7 | 34% | 0.343 | 44% | 0.435 | S | S | . | . | trans | -55.8 | 141 | 177.6 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | F142 D143 A144 | S140-F142 PolarHBondContact O-N 3.07Å; S140-F142 VanDerWaalsContact O-N 3.11Å; S140-F142 PolarHBondContact OG-N 3.19Å; S140-D143 PolarHBondContact O-N 3.39Å; S140-D143 VanDerWaalsContact O-N 3.1Å; S140-A144 PolarHBondContact O-N 3.41Å | ||
| 141 | P | 42.6 | Very low | 49.5 | Very low | 58 Ų | 58 | 81.3 Ų | 81.3 | 38% | 0.377 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -51 | -32.6 | 171.9 | -29.1 | 36.8 | 0 | 0 | 0 | 114.1 | W116 A144 L145 | W116-P141 HydrophobicContact CH2-CB 3.88Å; W116-P141 HydrophobicContact CH2-CG 4.45Å; W116-P141 HydrophobicContact CZ3-CB 3.83Å; W116-P141 HydrophobicContact CZ3-CG 4.46Å; P141-A144 PolarHBondContact O-N 3.19Å; P141-L145 PolarHBondContact O-N 3.4Å |
| 142 | F | 43.1 | Very low | 48.6 | Very low | 131 Ų | 131 | 84.2 Ų | 84.2 | 58% | 0.575 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70 | -36.9 | 179.7 | -68.7 | -84.3 | 0 | 0 | 0 | 112.9 | S140 A144 L145 R146 H1670 | S140-F142 PolarHBondContact O-N 3.07Å; S140-F142 VanDerWaalsContact O-N 3.11Å; S140-F142 PolarHBondContact OG-N 3.19Å; F142-A144 VanDerWaalsContact C-N 3.32Å; F142-A144 PolarHBondContact O-N 2.9Å; F142-L145 PolarHBondContact O-N 3.11Å; F142-R146 PolarHBondContact O-N 3.27Å; F142-H1670 AromaticContact CE1-NE2 3.81Å |
| 143 | D | 50.7 | Low | 47.7 | Very low | 77 Ų | 77 | 84.8 Ų | 84.8 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.4 | -34.1 | 174.6 | -68.6 | -46.1 | 0 | 0 | 0 | 111.5 | I139 S140 R146 N147 | I139-D143 HydrophobicContact CG2-CB 3.62Å; S140-D143 PolarHBondContact O-N 3.39Å; S140-D143 VanDerWaalsContact O-N 3.1Å; D143-R146 PolarHBondContact O-N 2.91Å; D143-N147 PolarHBondContact O-N 3.24Å; D143-N147 PolarHBondContact O-ND2 3.49Å |
| 144 | A | 46.6 | Very low | 46.9 | Very low | 17 Ų | 17 | 87.4 Ų | 87.4 | 14% | 0.14 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S140 P141 F142 V148 | S140-A144 PolarHBondContact O-N 3.41Å; P141-A144 PolarHBondContact O-N 3.19Å; F142-A144 VanDerWaalsContact C-N 3.32Å; F142-A144 PolarHBondContact O-N 2.9Å; A144-V148 WeakPolarHBondContact O-CG2 3.37Å; A144-V148 PolarHBondContact O-N 3.18Å |
| 145 | L | 42.1 | Very low | 45.9 | Very low | 98 Ų | 98 | 90.7 Ų | 90.7 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 173.4 | -73.4 | 167.4 | 0 | 0 | 0 | 112.2 | P141 F142 N147 V148 S149 | P141-L145 PolarHBondContact O-N 3.4Å; F142-L145 PolarHBondContact O-N 3.11Å; L145-N147 PolarHBondContact O-N 3.32Å; L145-V148 WeakPolarHBondContact O-CB 3.45Å; L145-V148 PolarHBondContact O-N 2.97Å; L145-V148 VanDerWaalsContact O-N 3.1Å; L145-S149 PolarHBondContact O-N 3.4Å |
| 146 | R | 48.2 | Very low | 45.4 | Very low | 166 Ų | 166 | 91.4 Ų | 91.4 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.2 | -45.3 | 178.1 | -160.2 | 177.1 | -166.8 | -171.3 | 4.5 | 112 | F142 D143 V148 S149 D150 | F142-R146 PolarHBondContact O-N 3.27Å; D143-R146 PolarHBondContact O-N 2.91Å; R146-V148 PolarHBondContact O-N 3.38Å; R146-S149 WeakPolarHBondContact O-CB 3.47Å; R146-S149 PolarHBondContact O-N 3.07Å; R146-S149 VanDerWaalsContact O-N 3.09Å; R146-D150 VanDerWaalsContact O-CG 3.3Å; R146-D150 PolarHBondContact O-N 2.92Å |
| 147 | N | 48.8 | Very low | 44.5 | Very low | 94 Ų | 94 | 93.8 Ų | 93.8 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.5 | -31.4 | 174.7 | -81.9 | -80.7 | 0 | 0 | 0 | 113.5 | D143 L145 K151 | D143-N147 PolarHBondContact O-N 3.24Å; D143-N147 PolarHBondContact O-ND2 3.49Å; L145-N147 PolarHBondContact O-N 3.32Å; N147-K151 WeakPolarHBondContact O-CB 3.06Å; N147-K151 PolarHBondContact O-N 3.3Å |
| 148 | V | 48.3 | Very low | 44 | Very low | 35 Ų | 35 | 95 Ų | 95 | 21% | 0.212 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -73.5 | -42.1 | 174 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | F123 A144 L145 R146 K151 H152 | F123-V148 HydrophobicContact CB-CG2 4.26Å; F123-V148 HydrophobicContact CD2-CG2 3.68Å; F123-V148 HydrophobicContact CE2-CG2 4.17Å; F123-V148 HydrophobicContact CG-CG2 3.89Å; A144-V148 WeakPolarHBondContact O-CG2 3.37Å; A144-V148 PolarHBondContact O-N 3.18Å; L145-V148 WeakPolarHBondContact O-CB 3.45Å; L145-V148 PolarHBondContact O-N 2.97Å; L145-V148 VanDerWaalsContact O-N 3.1Å; R146-V148 PolarHBondContact O-N 3.38Å; V148-K151 PolarHBondContact O-N 3.43Å; V148-H152 PolarHBondContact O-N 3.16Å |
| 149 | S | 52.8 | Low | 43.6 | Very low | 74 Ų | 74 | 90.8 Ų | 90.8 | 52% | 0.517 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 176.6 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | L145 R146 K151 H152 S153 | L145-S149 PolarHBondContact O-N 3.4Å; R146-S149 WeakPolarHBondContact O-CB 3.47Å; R146-S149 PolarHBondContact O-N 3.07Å; R146-S149 VanDerWaalsContact O-N 3.09Å; S149-K151 VanDerWaalsContact C-N 3.28Å; S149-K151 PolarHBondContact O-N 2.95Å; S149-H152 WeakPolarHBondContact O-CB 3.38Å; S149-H152 PolarHBondContact O-N 2.87Å; S149-S153 PolarHBondContact O-N 3.3Å |
| 150 | D | 44.6 | Very low | 42.9 | Very low | 89 Ų | 89 | 91.6 Ų | 91.6 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 179.9 | -65.8 | -25.3 | 0 | 0 | 0 | 111.1 | R146 S153 H154 | R146-D150 VanDerWaalsContact O-CG 3.3Å; R146-D150 PolarHBondContact O-N 2.92Å; D150-S153 PolarHBondContact O-N 3.47Å; D150-H154 WeakPolarHBondContact O-CB 3.46Å; D150-H154 PolarHBondContact O-N 3.35Å |
| 151 | K | 43.5 | Very low | 42.2 | Very low | 88 Ų | 88 | 95.7 Ų | 95.7 | 38% | 0.383 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.2 | -34.8 | 172.7 | -83.1 | -168 | 162.8 | -166.3 | 0 | 113.7 | F123 N125 N147 V148 S149 H154 F155 | F123-K151 WeakPolarHBondContact O-CE 3.48Å; F123-K151 PolarHBondContact O-NZ 3.14Å; N125-K151 PolarHBondContact OD1-NZ 2.85Å; N147-K151 WeakPolarHBondContact O-CB 3.06Å; N147-K151 PolarHBondContact O-N 3.3Å; V148-K151 PolarHBondContact O-N 3.43Å; S149-K151 VanDerWaalsContact C-N 3.28Å; S149-K151 PolarHBondContact O-N 2.95Å; K151-H154 PolarHBondContact O-N 3.09Å; K151-F155 WeakPolarHBondContact O-CB 3.49Å; K151-F155 PolarHBondContact O-N 3.49Å |
| 152 | H | 45.7 | Very low | 41.6 | Very low | 123 Ų | 123 | 99.2 Ų | 99.2 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -44.9 | 171.9 | -117.2 | 90.9 | 0 | 0 | 0 | 110.9 | V148 S149 H154 F155 V156 | V148-H152 PolarHBondContact O-N 3.16Å; S149-H152 WeakPolarHBondContact O-CB 3.38Å; S149-H152 PolarHBondContact O-N 2.87Å; H152-H154 VanDerWaalsContact C-N 3.33Å; H152-H154 PolarHBondContact O-N 3.21Å; H152-F155 PolarHBondContact O-N 3.2Å; H152-V156 WeakPolarHBondContact O-CG2 3.01Å; H152-V156 PolarHBondContact O-N 3.19Å |
| 153 | S | 45.5 | Very low | 41 | Very low | 66 Ų | 66 | 96.6 Ų | 96.6 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 174.5 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | S149 D150 V156 K157 | S149-S153 PolarHBondContact O-N 3.3Å; D150-S153 PolarHBondContact O-N 3.47Å; S153-V156 PolarHBondContact O-N 2.77Å; S153-K157 WeakPolarHBondContact O-CG 3.35Å; S153-K157 PolarHBondContact O-N 3Å |
| 154 | H | 37.9 | Very low | 40 | Very low | 134 Ų | 134 | 97.7 Ų | 97.7 | 62% | 0.62 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.4 | -29.4 | 178.7 | -142.6 | -54.6 | 0 | 0 | 0 | 113.6 | D150 K151 H152 Y158 | D150-H154 WeakPolarHBondContact O-CB 3.46Å; D150-H154 PolarHBondContact O-N 3.35Å; K151-H154 PolarHBondContact O-N 3.09Å; H152-H154 VanDerWaalsContact C-N 3.33Å; H152-H154 PolarHBondContact O-N 3.21Å; H154-Y158 PolarHBondContact O-N 3.49Å; H154-Y158 VanDerWaalsContact O-N 3.13Å |
| 155 | F | 35.5 | Very low | 39.2 | Very low | 90 Ų | 90 | 103.4 Ų | 103.4 | 40% | 0.395 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -74.3 | -40 | 174.8 | -177.7 | -112.5 | 0 | 0 | 0 | 111.7 | K151 H152 K157 Y158 L159 L282 | K151-F155 WeakPolarHBondContact O-CB 3.49Å; K151-F155 PolarHBondContact O-N 3.49Å; H152-F155 PolarHBondContact O-N 3.2Å; F155-K157 VanDerWaalsContact C-N 3.33Å; F155-K157 PolarHBondContact O-N 3.45Å; F155-Y158 WeakPolarHBondContact O-CB 3.49Å; F155-Y158 PolarHBondContact O-N 2.71Å; F155-L159 HydrophobicContact CD1-CD1 3.96Å; F155-L159 HydrophobicContact CD1-CG 4.49Å; F155-L159 HydrophobicContact CE1-CD1 3.47Å; F155-L159 VanDerWaalsContact CE1-CD1 3.47Å; F155-L159 HydrophobicContact CE1-CG 4.12Å; F155-L159 HydrophobicContact CE2-CG 4.37Å; F155-L159 HydrophobicContact CZ-CD1 3.82Å; F155-L159 HydrophobicContact CZ-CD2 4.22Å; F155-L159 HydrophobicContact CZ-CG 4.04Å; F155-L159 PolarHBondContact O-N 3.46Å; F155-L282 HydrophobicContact CE1-CD2 4.14Å; F155-L282 HydrophobicContact CZ-CD2 3.93Å |
| 156 | V | 43.4 | Very low | 38.6 | Very low | 88 Ų | 88 | 105.6 Ų | 105.6 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.7 | -41.1 | 171.1 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | H152 S153 Y158 L159 A160 | H152-V156 WeakPolarHBondContact O-CG2 3.01Å; H152-V156 PolarHBondContact O-N 3.19Å; S153-V156 PolarHBondContact O-N 2.77Å; V156-Y158 VanDerWaalsContact C-N 3.26Å; V156-Y158 PolarHBondContact O-N 2.83Å; V156-L159 PolarHBondContact O-N 3.19Å; V156-A160 WeakPolarHBondContact O-CB 3.47Å; V156-A160 PolarHBondContact O-N 3.34Å |
| 157 | K | 34.7 | Very low | 37.6 | Very low | 134 Ų | 134 | 105.7 Ų | 105.7 | 58% | 0.583 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.4 | -31.5 | 171 | -75.4 | -178.7 | 179 | -177.9 | 0 | 113.6 | S153 F155 L161 | S153-K157 WeakPolarHBondContact O-CG 3.35Å; S153-K157 PolarHBondContact O-N 3Å; F155-K157 VanDerWaalsContact C-N 3.33Å; F155-K157 PolarHBondContact O-N 3.45Å; K157-L161 WeakPolarHBondContact O-CD1 3.38Å; K157-L161 WeakPolarHBondContact O-CG 3.48Å |
| 158 | Y | 32.9 | Very low | 36.6 | Very low | 137 Ų | 137 | 108.1 Ų | 108.1 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -77.7 | -43.6 | 178.6 | -159.5 | -87.3 | 0 | 0 | 0 | 111.8 | H154 F155 V156 A160 L161 E162 | H154-Y158 PolarHBondContact O-N 3.49Å; H154-Y158 VanDerWaalsContact O-N 3.13Å; F155-Y158 WeakPolarHBondContact O-CB 3.49Å; F155-Y158 PolarHBondContact O-N 2.71Å; V156-Y158 VanDerWaalsContact C-N 3.26Å; V156-Y158 PolarHBondContact O-N 2.83Å; Y158-A160 VanDerWaalsContact C-N 3.25Å; Y158-A160 PolarHBondContact O-N 2.94Å; Y158-L161 WeakPolarHBondContact O-CB 3.4Å; Y158-L161 PolarHBondContact O-N 3.06Å; Y158-E162 HydrophobicContact CD1-CG 4.4Å; Y158-E162 HydrophobicContact CE1-CG 4.14Å; Y158-E162 PolarHBondContact O-N 2.8Å |
| 159 | L | 32 | Very low | 35.4 | Very low | 94 Ų | 94 | 114.4 Ų | 114.4 | 49% | 0.492 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.8 | -33.6 | 173.4 | -72.7 | 176.1 | 0 | 0 | 0 | 112.4 | F155 V156 L161 | F155-L159 HydrophobicContact CD1-CD1 3.96Å; F155-L159 HydrophobicContact CD1-CG 4.49Å; F155-L159 HydrophobicContact CE1-CD1 3.47Å; F155-L159 VanDerWaalsContact CE1-CD1 3.47Å; F155-L159 HydrophobicContact CE1-CG 4.12Å; F155-L159 HydrophobicContact CE2-CG 4.37Å; F155-L159 HydrophobicContact CZ-CD1 3.82Å; F155-L159 HydrophobicContact CZ-CD2 4.22Å; F155-L159 HydrophobicContact CZ-CG 4.04Å; F155-L159 PolarHBondContact O-N 3.46Å; V156-L159 PolarHBondContact O-N 3.19Å; L159-L161 PolarHBondContact O-N 2.81Å |
| 160 | A | 35.8 | Very low | 34.3 | Very low | 82 Ų | 82 | 116.7 Ų | 116.7 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -11.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | V156 Y158 | V156-A160 WeakPolarHBondContact O-CB 3.47Å; V156-A160 PolarHBondContact O-N 3.34Å; Y158-A160 VanDerWaalsContact C-N 3.25Å; Y158-A160 PolarHBondContact O-N 2.94Å |
| 161 | L | 32.5 | Very low | 33.5 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 71% | 0.707 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -22.3 | 178.5 | -72 | 167.4 | 0 | 0 | 0 | 113.6 | K157 Y158 L159 G163 | K157-L161 WeakPolarHBondContact O-CD1 3.38Å; K157-L161 WeakPolarHBondContact O-CG 3.48Å; Y158-L161 WeakPolarHBondContact O-CB 3.4Å; Y158-L161 PolarHBondContact O-N 3.06Å; L159-L161 PolarHBondContact O-N 2.81Å; L161-G163 PolarHBondContact O-N 2.89Å |
| 162 | E | 29.6 | Very low | 32.8 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 0 | 178.5 | -75.7 | -167.4 | 155.3 | 0 | 0 | 114.1 | Y158 S164 | Y158-E162 HydrophobicContact CD1-CG 4.4Å; Y158-E162 HydrophobicContact CE1-CG 4.14Å; Y158-E162 PolarHBondContact O-N 2.8Å; E162-S164 PolarHBondContact O-N 3.43Å |
| 163 | G | 30.9 | Very low | 31.9 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 78% | 0.784 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -2.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | L161 | L161-G163 PolarHBondContact O-N 2.89Š|
| 164 | S | 29.1 | Very low | 31.1 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | trans | -153.8 | 109.8 | 178 | -165.6 | 0 | 0 | 0 | 0 | 112.3 | E162 | E162-S164 PolarHBondContact O-N 3.43Š| ||
| 165 | V | 29 | Very low | 30.9 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 84% | 0.836 | 68% | 0.677 | S | S | * | * | trans | -108.5 | 86.3 | 166.9 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 166 | D | 29.3 | Very low | 30.7 | Very low | 143 Ų | 143 | 122.7 Ų | 122.7 | 77% | 0.765 | 68% | 0.681 | S | S | * | * | trans | -149.1 | 162.4 | 155.5 | -111.4 | -36 | 0 | 0 | 0 | 111.7 | ||||
| 167 | Q | 28.3 | Very low | 30 | Very low | 169 Ų | 169 | 126.8 Ų | 126.8 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -77.2 | 142.4 | -148.2 | -59.8 | 164.6 | 22.6 | 0 | 0 | 114.3 | ||||
| 168 | N | 26.9 | Very low | 29.6 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | 35.3 | 105.1 | 155.1 | -63.6 | -19.6 | 0 | 0 | 0 | 118 | ||||
| 169 | L | 24.5 | Very low | 29.3 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 87% | 0.869 | 71% | 0.709 | S | S | * | * | 179 | 141.5 | 110 | -95.1 | 158.7 | 0 | 0 | 0 | 113.3 | Y171 | L169-Y171 PolarHBondContact O-N 3.27Š| |||
| 170 | T | 28 | Very low | 28.9 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -58.6 | 112.4 | 159.5 | 36.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 171 | Y | 29.3 | Very low | 28.2 | Very low | 219 Ų | 219 | 131.8 Ų | 131.8 | 86% | 0.859 | 72% | 0.723 | S | S | * | * | trans | 169.5 | 100.5 | 135.5 | -105.2 | -80.1 | 0 | 0 | 0 | 108.6 | L169 P173 | L169-Y171 PolarHBondContact O-N 3.27Å; Y171-P173 WeakPolarHBondContact O-CD 3.3Å | ||
| 172 | L | 28.7 | Very low | 27.8 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -73.2 | 127.2 | 166.4 | -100.5 | 86.6 | 0 | 0 | 0 | 109.2 | V176 | L172-V176 HydrophobicContact CD2-CB 4.18Å; L172-V176 HydrophobicContact CD2-CG1 3.91Å | ||
| 173 | P | 25.2 | Very low | 27.5 | Very low | 86 Ų | 86 | 136 Ų | 136 | 56% | 0.558 | 74% | 0.74 | S | S | * | * | trans | -62 | 148.5 | 173.7 | -22.5 | 34.3 | 0 | 0 | 0 | 112.2 | Y171 T175 V176 | Y171-P173 WeakPolarHBondContact O-CD 3.3Å; P173-T175 PolarHBondContact O-N 2.78Å; P173-T175 VanDerWaalsContact O-N 3.1Å; P173-V176 PolarHBondContact O-N 2.97Å | ||
| 174 | S | 30.6 | Very low | 27 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -61.4 | -20.9 | -174 | 46.1 | 0 | 0 | 0 | 0 | 114.8 | V176 K177 M178 | S174-V176 PolarHBondContact O-N 3.47Å; S174-K177 WeakPolarHBondContact O-CA 3.49Å; S174-K177 WeakPolarHBondContact O-CB 3.45Å; S174-K177 PolarHBondContact O-N 3.01Å; S174-M178 PolarHBondContact O-N 2.97Å |
| 175 | T | 32.9 | Very low | 26.7 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -57.2 | -42.9 | 174.6 | 36.4 | 0 | 0 | 0 | 0 | 112.8 | P173 K177 M178 S179 | P173-T175 PolarHBondContact O-N 2.78Å; P173-T175 VanDerWaalsContact O-N 3.1Å; T175-K177 PolarHBondContact O-N 2.86Å; T175-M178 PolarHBondContact O-N 3.15Å; T175-S179 PolarHBondContact O-N 3.12Å; T175-S179 PolarHBondContact O-OG 2.97Å |
| 176 | V | 31 | Very low | 26.5 | Very low | 76 Ų | 76 | 148 Ų | 148 | 46% | 0.461 | 76% | 0.755 | S | S | . | * | H | α-helix | trans | -69.7 | -21.7 | 177.8 | -175 | 0 | 0 | 0 | 0 | 111.7 | L172 P173 S174 | L172-V176 HydrophobicContact CD2-CB 4.18Å; L172-V176 HydrophobicContact CD2-CG1 3.91Å; P173-V176 PolarHBondContact O-N 2.97Å; S174-V176 PolarHBondContact O-N 3.47Å |
| 177 | K | 29.5 | Very low | 26.1 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -82.2 | -26.6 | 179.1 | -144.6 | 175.9 | -173.4 | 179.6 | 0 | 112.8 | S174 T175 | S174-K177 WeakPolarHBondContact O-CA 3.49Å; S174-K177 WeakPolarHBondContact O-CB 3.45Å; S174-K177 PolarHBondContact O-N 3.01Å; T175-K177 PolarHBondContact O-N 2.86Å |
| 178 | M | 24.7 | Very low | 25.7 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -79.8 | -37.5 | 175.9 | -70.7 | -168.2 | 73.6 | 0 | 0 | 112.8 | S174 T175 L180 Q181 | S174-M178 PolarHBondContact O-N 2.97Å; T175-M178 PolarHBondContact O-N 3.15Å; M178-L180 PolarHBondContact O-N 3.15Å; M178-Q181 PolarHBondContact O-N 2.65Å |
| 179 | S | 27.2 | Very low | 25.6 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -3.8 | 179.3 | -52.5 | 0 | 0 | 0 | 0 | 115.1 | T175 | T175-S179 PolarHBondContact O-N 3.12Å; T175-S179 PolarHBondContact O-OG 2.97Å |
| 180 | L | 23.8 | Very low | 25.4 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 3.6 | 173.9 | -71.3 | 169.5 | 0 | 0 | 0 | 113.1 | M178 | M178-L180 PolarHBondContact O-N 3.15Š|
| 181 | Q | 21.8 | Very low | 25.3 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -107.6 | 113.8 | 175.3 | -162.9 | 72.8 | 37.5 | 0 | 0 | 108.8 | M178 | M178-Q181 PolarHBondContact O-N 2.65Š|
| 182 | W | 22.9 | Very low | 24.8 | Very low | 232 Ų | 232 | 144.9 Ų | 144.9 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 129.9 | -179.4 | -68.6 | 78.2 | 0 | 0 | 0 | 110.8 | ||
| 183 | P | 23.3 | Very low | 24.5 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 133.7 | 170.9 | -20.3 | 32.8 | 0 | 0 | 0 | 110.7 | ||
| 184 | E | 21.4 | Very low | 24.3 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 158.7 | 173.9 | -66.9 | -174.2 | 142.9 | 0 | 0 | 111.2 | E186 | E184-E186 PolarHBondContact O-N 2.7Š|
| 185 | Q | 22.2 | Very low | 23.8 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 117.1 | -174.2 | -62 | 168.5 | -62.5 | 0 | 0 | 112.1 | ||
| 186 | E | 24.5 | Very low | 23.3 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 146.1 | 149.9 | -75.2 | -174.5 | 150.4 | 0 | 0 | 109.8 | E184 | E184-E186 PolarHBondContact O-N 2.7Š|
| 187 | K | 21.6 | Very low | 22.8 | Very low | 174 Ų | 174 | 152.9 Ų | 152.9 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | -113.9 | 154.4 | -165.7 | -62.3 | 172.1 | 178.7 | 170.4 | 0 | 110.9 | ||||
| 188 | S | 20.3 | Very low | 22.3 | Very low | 92 Ų | 92 | 154.9 Ų | 154.9 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | 45.2 | 120.8 | 143.7 | 60.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 189 | D | 24.2 | Very low | 22.1 | Very low | 142 Ų | 142 | 152.6 Ų | 152.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | 159.6 | 108.2 | 125.4 | -74 | -15 | 0 | 0 | 0 | 106.4 | |||||
| 190 | I | 19.9 | Very low | 21.7 | Very low | 150 Ų | 150 | 153.2 Ų | 153.2 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | 52.9 | 92.6 | 74.9 | -54 | -178.8 | 0 | 0 | 0 | 112.7 | |||||
| 191 | F | 25.8 | Very low | 21.6 | Very low | 201 Ų | 201 | 152.5 Ų | 152.5 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | 174.3 | 102.9 | 151.2 | -100.2 | -71.1 | 0 | 0 | 0 | 103.7 | ||||
| 192 | D | 20.1 | Very low | 21.5 | Very low | 140 Ų | 140 | 150.6 Ų | 150.6 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | cis | 70.9 | 124.2 | 48.1 | -147.6 | 8.5 | 0 | 0 | 0 | 114.7 | ||||
| 193 | S | 21.9 | Very low | 21.4 | Very low | 88 Ų | 88 | 144.4 Ų | 144.4 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | trans | 61.6 | 128.2 | 166.8 | 66.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 194 | N | 21 | Very low | 21.2 | Very low | 135 Ų | 135 | 148 Ų | 148 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 81.8 | 114 | 133.1 | -66.4 | 7.2 | 0 | 0 | 0 | 123.7 | ||||
| 195 | E | 20 | Very low | 21.2 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 69.8 | 140.6 | 118.6 | -62 | -165.5 | 116.1 | 0 | 0 | 123.6 | |||||
| 196 | T | 21.7 | Very low | 21.1 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | 68.8 | 107.4 | 142.4 | 44.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 197 | K | 20.5 | Very low | 20.8 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | 58.3 | 119.5 | 111.4 | -79.6 | -176.3 | 179.3 | 176.6 | 0 | 120.7 | |||||
| 198 | Y | 20.4 | Very low | 20.8 | Very low | 215 Ų | 215 | 140.5 Ų | 140.5 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | 74.3 | 154 | 139.9 | -78.3 | -73.6 | 0 | 0 | 0 | 121.3 | ||||
| 199 | S | 20.3 | Very low | 21.8 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 75.8 | 118.9 | 172.8 | -147.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 200 | T | 19.2 | Very low | 21.5 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | cis | 81.3 | 137.7 | 35 | -45.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 201 | V | 20.5 | Very low | 21.6 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 79.9 | 113.5 | -179.7 | -165.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 202 | C | 19.7 | Very low | 21.3 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | cis | 101.2 | 151.5 | 36.3 | -164.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 203 | S | 20.6 | Very low | 21.3 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | 82.7 | 121.1 | -173.1 | -51.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 204 | K | 20 | Very low | 21.4 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | 82.1 | 102.6 | 51.8 | -77.6 | -171.3 | 176.1 | -176.3 | 0 | 113.5 | |||||
| 205 | E | 21 | Very low | 21.5 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -163.6 | 124.3 | 146.6 | -103 | 156.5 | -170.4 | 0 | 0 | 104.8 | ||||
| 206 | C | 20 | Very low | 21.6 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 70% | 0.703 | 78% | 0.776 | S | S | * | * | 67.9 | 97 | 53.8 | -79.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 207 | D | 18.8 | Very low | 21.6 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 75.3 | 130.1 | 129.7 | -56.7 | -50.3 | 0 | 0 | 0 | 122.4 | |||||
| 208 | N | 21.2 | Very low | 21.7 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | 93.9 | 155.2 | 139.1 | -77.7 | -23.3 | 0 | 0 | 0 | 122.2 | ||||
| 209 | P | 41.1 | Very low | 21.7 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -110 | -167.4 | -162.8 | 43.3 | -32.5 | 0 | 0 | 0 | 112.8 | ||||
| 210 | E | 18.2 | Very low | 21.7 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | 71.2 | 127.9 | 175.4 | -58.7 | 171 | -173.5 | 0 | 0 | 112.1 | ||||
| 211 | E | 22.3 | Very low | 21.8 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | -159.5 | 178 | 70.2 | -132 | -174.7 | 163.2 | 0 | 0 | 114 | |||||
| 212 | S | 19.9 | Very low | 21.9 | Very low | 93 Ų | 93 | 145.7 Ų | 145.7 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -97.1 | 163.8 | -173.3 | 70 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 213 | S | 19.9 | Very low | 22 | Very low | 95 Ų | 95 | 148.6 Ų | 148.6 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | 71.2 | 117.8 | 159.6 | 79.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 214 | Y | 24.4 | Very low | 22.1 | Very low | 238 Ų | 238 | 151 Ų | 151 | 93% | 0.933 | 79% | 0.791 | S | S | * | * | -137.9 | 152.6 | 117 | -105.1 | -79.8 | 0 | 0 | 0 | 109.3 | |||||
| 215 | K | 22 | Very low | 22.3 | Very low | 197 Ų | 197 | 151.9 Ų | 151.9 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -80.8 | 152 | -159.3 | -72.6 | 172.7 | 176.7 | 170.9 | 0 | 113.6 | ||||
| 216 | N | 21.4 | Very low | 22.5 | Very low | 154 Ų | 154 | 148 Ų | 148 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -61.3 | 131.6 | 162.4 | -58.5 | -51.8 | 0 | 0 | 0 | 110.1 | ||||
| 217 | D | 23.4 | Very low | 22.6 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -108.3 | 139.4 | 156 | -94.3 | -39.7 | 0 | 0 | 0 | 110.4 | ||||
| 218 | I | 20.7 | Very low | 22.7 | Very low | 155 Ų | 155 | 153 Ų | 153 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | trans | -108.4 | 113.1 | -176.2 | -63.9 | 168.2 | 0 | 0 | 0 | 108.7 | ||||
| 219 | S | 21.9 | Very low | 22.8 | Very low | 100 Ų | 100 | 152.3 Ų | 152.3 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -163.9 | 109.6 | 151.7 | 49.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 220 | T | 20.7 | Very low | 22 | Very low | 113 Ų | 113 | 151 Ų | 151 | 69% | 0.693 | 81% | 0.806 | S | S | * | * | 45 | 114.6 | 85 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 221 | N | 20.4 | Very low | 22.2 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 56.8 | 116.5 | 159.8 | -55 | -31.1 | 0 | 0 | 0 | 117.7 | ||||
| 222 | V | 22.5 | Very low | 22 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | -162.2 | 129.5 | 109.9 | 140.2 | 0 | 0 | 0 | 0 | 110 | I224 | V222-I224 HydrophobicContact CG1-CG1 3.67Å; V222-I224 PolarHBondContact O-N 3.31Å | |||
| 223 | M | 21.1 | Very low | 22.1 | Very low | 176 Ų | 176 | 153.3 Ų | 153.3 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -77.4 | 95.3 | 172.4 | 179.6 | -174.2 | -72.4 | 0 | 0 | 108.8 | R225 | M223-R225 PolarHBondContact O-N 2.89Š| ||
| 224 | I | 22.6 | Very low | 22.3 | Very low | 151 Ų | 151 | 153.6 Ų | 153.6 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | trans | -79.7 | 100.7 | 172.8 | -55.7 | -174.8 | 0 | 0 | 0 | 109 | V222 | V222-I224 HydrophobicContact CG1-CG1 3.67Å; V222-I224 PolarHBondContact O-N 3.31Å | ||
| 225 | R | 24.5 | Very low | 22 | Very low | 219 Ų | 219 | 147.4 Ų | 147.4 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 150.5 | 153.1 | -95.8 | -172.3 | 173.9 | -171.2 | -0.7 | 109.5 | M223 | M223-R225 PolarHBondContact O-N 2.89Š|
| 226 | P | 25.6 | Very low | 22.1 | Very low | 110 Ų | 110 | 145 Ų | 145 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 164 | -163.3 | 27.1 | -35.6 | 0 | 0 | 0 | 114.8 | ||
| 227 | P | 23.1 | Very low | 22.1 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 160.3 | -161.7 | 30.4 | -36.9 | 0 | 0 | 0 | 115.4 | ||
| 228 | K | 19.7 | Very low | 22.3 | Very low | 209 Ų | 209 | 140.7 Ų | 140.7 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 147 | 176.3 | -63.6 | 174.6 | 177 | 176.6 | 0 | 111.8 | ||
| 229 | C | 24.1 | Very low | 22.3 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | -154.1 | 131.4 | 152.9 | -162 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 230 | G | 24.4 | Very low | 22.3 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | -162.8 | -166.7 | -0.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 231 | Q | 22.2 | Very low | 22.2 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 0.7 | 136.9 | 174.1 | -59 | -170 | -5.3 | 0 | 0 | 124 | ||||
| 232 | R | 18.7 | Very low | 22.3 | Very low | 229 Ų | 229 | 144 Ų | 144 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | 55.1 | 115.9 | 137.9 | -72.6 | -174.4 | 167.9 | -149.1 | -2 | 121.8 | ||||
| 233 | S | 21.7 | Very low | 22.3 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | 137.7 | 147.5 | 109.3 | 64.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 234 | S | 22.6 | Very low | 22.3 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 48.6 | 98.8 | 174.8 | 47.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 235 | S | 19.8 | Very low | 22.4 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | 75.6 | 111.7 | 74.4 | 71.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 236 | V | 24.2 | Very low | 22.3 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -178.7 | 139.1 | 134.8 | 146.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 237 | T | 20.8 | Very low | 22.1 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -99.9 | -171.6 | 178.5 | 50.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 238 | P | 28.2 | Very low | 22.1 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | cis | -131.1 | 177.4 | -25.4 | 22.3 | 1.7 | 0 | 0 | 0 | 114.3 | ||||
| 239 | S | 20.1 | Very low | 22.2 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 40.1 | 164.4 | 136.6 | -54.8 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 240 | D | 21.5 | Very low | 22.2 | Very low | 134 Ų | 134 | 135 Ų | 135 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 81.6 | 144.9 | 154.7 | -73.6 | -9.5 | 0 | 0 | 0 | 118.9 | ||||
| 241 | R | 18.8 | Very low | 22.1 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 73% | 0.725 | 75% | 0.749 | S | S | * | * | cis | -170.7 | 155.6 | -18.5 | -121.5 | 169.7 | -170.9 | -144.2 | -0.3 | 111 | ||||
| 242 | F | 22.3 | Very low | 22 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | 67.9 | 143.5 | 148.3 | -83.6 | -65.7 | 0 | 0 | 0 | 125.6 | ||||
| 243 | S | 22.6 | Very low | 22.1 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 67.5 | 150.4 | 142.4 | 54.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 244 | E | 20.1 | Very low | 22.1 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | cis | 166.1 | 175.8 | -26.2 | -111.5 | -178.4 | 169.5 | 0 | 0 | 106.3 | ||||
| 245 | T | 25.1 | Very low | 22.1 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | 75.8 | 113 | -179.6 | 71.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 246 | S | 22 | Very low | 22 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | 66 | 132 | 63.1 | 79 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 247 | S | 23.1 | Very low | 21.9 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | cis | -166.3 | 176.4 | 2.8 | 56.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 248 | D | 22.9 | Very low | 21.8 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | cis | -152.1 | -173 | 6.4 | -152.7 | 10.5 | 0 | 0 | 0 | 112.8 | ||||
| 249 | R | 21.8 | Very low | 21.5 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | -41.4 | 140.4 | 175.5 | -59.9 | 145.9 | -159.3 | -138.7 | -4.5 | 119 | ||||
| 250 | N | 22.8 | Very low | 21.5 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | -161.9 | 111.9 | 93.2 | -96.3 | -29.8 | 0 | 0 | 0 | 113.7 | |||||
| 251 | I | 22.8 | Very low | 21.6 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 65% | 0.651 | 76% | 0.758 | S | S | * | * | 57.7 | 94.9 | 128.6 | -59.9 | 173.5 | 0 | 0 | 0 | 115.3 | |||||
| 252 | E | 20.1 | Very low | 21.7 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | 68.2 | 133.9 | 91.9 | -71.7 | 176.5 | 162.9 | 0 | 0 | 113 | |||||
| 253 | S | 22 | Very low | 21.5 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | cis | -165.9 | 172.1 | 10.7 | 51.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 254 | S | 21 | Very low | 21.7 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | cis | -158.5 | 158.3 | 4.6 | 39.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 255 | S | 21.4 | Very low | 22 | Very low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | 45.4 | 104.5 | 158.9 | 58.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 256 | T | 19.6 | Very low | 21.8 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | 48.4 | 106 | 77.6 | 70.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 257 | C | 21.3 | Very low | 21.9 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | trans | -160.8 | 101.6 | 130.2 | -131.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 258 | E | 18.9 | Very low | 22 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -68.2 | 132.4 | 162.5 | 175.3 | -179.2 | -150.6 | 0 | 0 | 109.3 | ||||
| 259 | K | 21.3 | Very low | 22 | Very low | 189 Ų | 189 | 140 Ų | 140 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -154.9 | 112.1 | 158.1 | -117.9 | 169 | -170.6 | 179.7 | 0 | 112.3 | ||||
| 260 | V | 19.9 | Very low | 22.2 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -67.6 | 137.2 | 175.8 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 261 | Y | 23.2 | Very low | 22.2 | Very low | 209 Ų | 209 | 135.6 Ų | 135.6 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | trans | -109 | 152.8 | 165.3 | -91.3 | -92.8 | 0 | 0 | 0 | 110 | ||||
| 262 | P | 21.3 | Very low | 22.4 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -87.9 | 179.5 | -165.8 | 36.8 | -37.5 | 0 | 0 | 0 | 114.9 | ||||
| 263 | S | 18.6 | Very low | 22.6 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -89.2 | 164.2 | -163.2 | -45.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 264 | T | 27.5 | Very low | 22.7 | Very low | 136 Ų | 136 | 136 Ų | 136 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | 69.8 | 156.4 | 152.7 | 41 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 265 | P | 25.1 | Very low | 22.9 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | cis | -123.5 | 178 | 13.1 | 42 | -28.3 | 0 | 0 | 0 | 116.9 | ||||
| 266 | V | 20.6 | Very low | 23.1 | Very low | 141 Ų | 141 | 149.6 Ų | 149.6 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -96.3 | 143.8 | 174.6 | 170.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 267 | A | 25.4 | Very low | 23.4 | Very low | 96 Ų | 96 | 149 Ų | 149 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -144.7 | 127.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 268 | S | 24 | Very low | 23.7 | Very low | 111 Ų | 111 | 154.6 Ų | 154.6 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -36.3 | 127.6 | 175.9 | -19.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 269 | K | 24 | Very low | 24 | Very low | 205 Ų | 205 | 152.3 Ų | 152.3 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | 57.7 | 104.9 | 89.6 | -72.1 | -172 | 175.4 | -177.6 | 0 | 116.1 | |||||
| 270 | S | 25.2 | Very low | 24.4 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | -161.9 | 127.5 | 121.1 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 271 | T | 22.9 | Very low | 25.1 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 71% | 0.712 | 81% | 0.806 | S | S | * | * | trans | -133.3 | 122.3 | -173.7 | -51.8 | 0 | 0 | 0 | 0 | 109.6 | L273 | T271-L273 HydrophobicContact CG2-CG 4.49Š| ||
| 272 | V | 27 | Very low | 25.7 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -151.4 | 99.6 | 156.8 | -176.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 273 | L | 24.8 | Very low | 26.2 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | 83.8 | 135.6 | 69.3 | -77.3 | 177.4 | 0 | 0 | 0 | 116.1 | T271 | T271-L273 HydrophobicContact CG2-CG 4.49Š| |||
| 274 | L | 24.4 | Very low | 26.5 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 75.6 | 101 | 155 | -65.9 | 159.4 | 0 | 0 | 0 | 120.5 | ||||
| 275 | R | 24.6 | Very low | 26.7 | Very low | 251 Ų | 251 | 139.4 Ų | 139.4 | 95% | 0.947 | 76% | 0.761 | S | S | * | * | trans | -121.6 | 124 | 134.8 | -95.7 | -174.1 | 174.8 | 158.2 | 1.7 | 110.7 | ||||
| 276 | R | 25.4 | Very low | 27.1 | Very low | 232 Ų | 232 | 136.9 Ų | 136.9 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | trans | -75.6 | 153.3 | 171.9 | -79.7 | 179 | 170.9 | 166 | -3.3 | 111.1 | ||||
| 277 | P | 25.3 | Very low | 27.6 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | trans | -89.3 | 135.5 | -175.4 | 33.7 | -34 | 0 | 0 | 0 | 114.1 | ||||
| 278 | R | 28.9 | Very low | 28 | Very low | 249 Ų | 249 | 138.1 Ų | 138.1 | 94% | 0.94 | 73% | 0.732 | S | S | * | * | trans | -132.7 | 127.9 | 143.6 | -87 | -172.9 | 173.4 | 143.1 | -1.7 | 108.8 | ||||
| 279 | T | 24.5 | Very low | 28.6 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -74.1 | 154.3 | 174.7 | 51.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 280 | P | 30.4 | Very low | 28.9 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | -129.7 | 137.6 | 89.8 | 33.2 | -22.8 | 0 | 0 | 0 | 114.3 | L282 | P280-L282 PolarHBondContact O-N 3.01Š| |||
| 281 | T | 34.4 | Very low | 29 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 64% | 0.644 | 70% | 0.697 | S | S | * | * | trans | -31 | 112.7 | 177 | 47.9 | 0 | 0 | 0 | 0 | 117.4 | G283 R284 | T281-G283 PolarHBondContact O-N 3.45Å; T281-R284 PolarHBondContact O-N 3.05Å | ||
| 282 | L | 35 | Very low | 29.3 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.4 | -23.5 | 174.7 | -168.2 | 66.2 | 0 | 0 | 0 | 115.1 | F155 P280 R284 A285 | F155-L282 HydrophobicContact CE1-CD2 4.14Å; F155-L282 HydrophobicContact CZ-CD2 3.93Å; P280-L282 PolarHBondContact O-N 3.01Å; L282-R284 PolarHBondContact O-N 3.29Å; L282-A285 PolarHBondContact O-N 3.25Å; L282-A285 VanDerWaalsContact O-N 3.17Å |
| 283 | G | 31.5 | Very low | 29.3 | Very low | 51 Ų | 51 | 135.4 Ų | 135.4 | 53% | 0.526 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -62.6 | -21.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T281 | T281-G283 PolarHBondContact O-N 3.45Å |
| 284 | R | 26.4 | Very low | 29.4 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 57% | 0.574 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -75.7 | -34.9 | 173.5 | -93.3 | -177.5 | 170.5 | -176.6 | -7.3 | 112.7 | T281 L282 L287 F288 | T281-R284 PolarHBondContact O-N 3.05Å; L282-R284 PolarHBondContact O-N 3.29Å; R284-L287 PolarHBondContact O-N 3.34Å; R284-F288 PolarHBondContact O-N 2.99Å |
| 285 | A | 30.9 | Very low | 29.4 | Very low | 55 Ų | 55 | 132.4 Ų | 132.4 | 46% | 0.455 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -63.5 | -46 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L282 L287 F288 V289 | L282-A285 PolarHBondContact O-N 3.25Å; L282-A285 VanDerWaalsContact O-N 3.17Å; A285-L287 VanDerWaalsContact C-N 3.26Å; A285-L287 PolarHBondContact O-N 3.42Å; A285-F288 PolarHBondContact O-N 2.8Å; A285-F288 VanDerWaalsContact O-N 3.09Å; A285-V289 PolarHBondContact O-N 3.14Å |
| 286 | A | 32.8 | Very low | 29.7 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 58% | 0.579 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -61.7 | -31.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R290 | A286-R290 WeakPolarHBondContact O-CB 3.44Å; A286-R290 PolarHBondContact O-N 3.34Å |
| 287 | L | 32 | Very low | 29.8 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 61% | 0.613 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -74.4 | -34.4 | 173.2 | -85.1 | 169.3 | 0 | 0 | 0 | 112.8 | R284 A285 R290 A291 | R284-L287 PolarHBondContact O-N 3.34Å; A285-L287 VanDerWaalsContact C-N 3.26Å; A285-L287 PolarHBondContact O-N 3.42Å; L287-R290 PolarHBondContact O-N 3.46Å; L287-A291 WeakPolarHBondContact O-CB 3.47Å; L287-A291 PolarHBondContact O-N 3.13Å |
| 288 | F | 32.8 | Very low | 29.8 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -68 | -46 | 173.9 | -95 | -76.9 | 0 | 0 | 0 | 112.1 | R284 A285 R290 A291 S292 | R284-F288 PolarHBondContact O-N 2.99Å; A285-F288 PolarHBondContact O-N 2.8Å; A285-F288 VanDerWaalsContact O-N 3.09Å; F288-R290 PolarHBondContact O-N 3.22Å; F288-A291 PolarHBondContact O-N 2.89Å; F288-A291 VanDerWaalsContact O-N 3.14Å; F288-S292 PolarHBondContact O-N 2.8Å; F288-S292 PolarHBondContact O-OG 2.96Å; F288-S292 VanDerWaalsContact O-OG 3.08Å |
| 289 | V | 38.2 | Very low | 29.7 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 60% | 0.6 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -56.9 | -41.2 | 173.9 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | A285 | A285-V289 PolarHBondContact O-N 3.14Å |
| 290 | R | 29 | Very low | 29.7 | Very low | 181 Ų | 181 | 119 Ų | 119 | 68% | 0.683 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -72.7 | -33.9 | 176.9 | -166.9 | 170.9 | -177.7 | 121.1 | 1.2 | 113.8 | A286 L287 F288 Y293 | A286-R290 WeakPolarHBondContact O-CB 3.44Å; A286-R290 PolarHBondContact O-N 3.34Å; L287-R290 PolarHBondContact O-N 3.46Å; F288-R290 PolarHBondContact O-N 3.22Å; R290-Y293 PolarHBondContact O-N 2.78Å |
| 291 | A | 27.5 | Very low | 29.4 | Very low | 61 Ų | 61 | 119.6 Ų | 119.6 | 50% | 0.504 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -70.8 | -38.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L287 F288 Y293 M294 | L287-A291 WeakPolarHBondContact O-CB 3.47Å; L287-A291 PolarHBondContact O-N 3.13Å; F288-A291 PolarHBondContact O-N 2.89Å; F288-A291 VanDerWaalsContact O-N 3.14Å; A291-Y293 PolarHBondContact O-N 2.91Å; A291-Y293 VanDerWaalsContact O-N 3.13Å; A291-M294 PolarHBondContact O-N 3.14Å |
| 292 | S | 29 | Very low | 28.8 | Very low | 93 Ų | 93 | 120.7 Ų | 120.7 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -59.5 | -20.7 | 173.5 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | F288 | F288-S292 PolarHBondContact O-N 2.8Å; F288-S292 PolarHBondContact O-OG 2.96Å; F288-S292 VanDerWaalsContact O-OG 3.08Å |
| 293 | Y | 26.7 | Very low | 28.3 | Very low | 206 Ų | 206 | 121.4 Ų | 121.4 | 81% | 0.808 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -2.1 | 176.8 | -95.4 | -82.4 | 0 | 0 | 0 | 115.2 | R290 A291 | R290-Y293 PolarHBondContact O-N 2.78Å; A291-Y293 PolarHBondContact O-N 2.91Å; A291-Y293 VanDerWaalsContact O-N 3.13Å |
| 294 | M | 27.8 | Very low | 27.7 | Very low | 156 Ų | 156 | 123.4 Ų | 123.4 | 77% | 0.768 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -114.4 | 25.4 | -178.3 | -65.2 | -144.4 | 73.6 | 0 | 0 | 113.7 | A291 | A291-M294 PolarHBondContact O-N 3.14Š|
| 295 | G | 24.5 | Very low | 27.4 | Very low | 62 Ų | 62 | 123.6 Ų | 123.6 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | trans | -148.6 | 51.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 296 | V | 29.8 | Very low | 26.9 | Very low | 135 Ų | 135 | 126.6 Ų | 126.6 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -138.1 | 113.8 | 159.2 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 297 | D | 28.4 | Very low | 26.3 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | -71.9 | 146.9 | 174.9 | -73.2 | -54.6 | 0 | 0 | 0 | 111.7 | S299 | D297-S299 PolarHBondContact O-N 2.89Å; D297-S299 VanDerWaalsContact O-N 3.13Å | ||
| 298 | K | 26.1 | Very low | 25.9 | Very low | 216 Ų | 216 | 132.8 Ų | 132.8 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | trans | -76.1 | 97.1 | 176.8 | -65.6 | 176.9 | 179.8 | 178.8 | 0 | 110.6 | ||||
| 299 | S | 26.7 | Very low | 25.3 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -107.7 | 103.5 | 154.5 | 60.5 | 0 | 0 | 0 | 0 | 108.8 | D297 | D297-S299 PolarHBondContact O-N 2.89Å; D297-S299 VanDerWaalsContact O-N 3.13Å | ||
| 300 | G | 24.6 | Very low | 24.5 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -85.6 | 148 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 301 | T | 24.2 | Very low | 24.3 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -137.2 | 114.4 | 151.4 | 20.4 | 0 | 0 | 0 | 0 | 108.2 | T303 | T301-T303 PolarHBondContact O-N 2.99Š| ||
| 302 | S | 21.6 | Very low | 24.2 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -73.6 | 116.3 | 169.8 | -62.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 303 | T | 24.7 | Very low | 23.9 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -135.7 | 100.4 | 154.4 | -7.7 | 0 | 0 | 0 | 0 | 108.8 | T301 | T301-T303 PolarHBondContact O-N 2.99Š| ||
| 304 | S | 19 | Very low | 23.7 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 66% | 0.657 | 82% | 0.815 | S | S | * | * | trans | -72.5 | 163.2 | 172 | 52.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 305 | L | 19.7 | Very low | 23.5 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | 71.5 | 122.1 | 164.3 | -53.5 | 153.3 | 0 | 0 | 0 | 114.5 | ||||
| 306 | S | 20 | Very low | 23.4 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | -171 | 165.3 | 61.2 | 40.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 307 | F | 19.8 | Very low | 23.1 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -74.5 | 151.8 | -174.7 | -78.2 | -110.6 | 0 | 0 | 0 | 114 | ||||
| 308 | S | 23 | Very low | 22.8 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -131.7 | 79.3 | 152.4 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 309 | K | 20.8 | Very low | 22.6 | Very low | 183 Ų | 183 | 140.9 Ų | 140.9 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -114 | 148.7 | 154.9 | -99.8 | -172.8 | 175.8 | -178.4 | 0 | 108.2 | ||||
| 310 | Q | 21.1 | Very low | 22.3 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | 104.8 | 118.5 | 173.8 | -62.6 | 179.7 | -8.4 | 0 | 0 | 115.8 | ||||
| 311 | N | 24.5 | Very low | 22.2 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | -173.4 | 96.4 | 107.9 | -95.8 | -35.7 | 0 | 0 | 0 | 111.9 | |||||
| 312 | T | 27.2 | Very low | 22.1 | Very low | 144 Ų | 144 | 144 Ų | 144 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -125.3 | 105.1 | 156.8 | 46.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 313 | K | 21.9 | Very low | 22.3 | Very low | 192 Ų | 192 | 145.3 Ų | 145.3 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -71 | 129.7 | 176.1 | -68 | 176.9 | 175 | 179.9 | 0 | 109.6 | ||||
| 314 | R | 22 | Very low | 22.1 | Very low | 221 Ų | 221 | 147 Ų | 147 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | -172.2 | 130.3 | 121.7 | -99.3 | -177.4 | -176.4 | 109.5 | -1.9 | 111.3 | |||||
| 315 | D | 23.7 | Very low | 22.3 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 66% | 0.658 | 78% | 0.779 | S | S | * | * | trans | 69.2 | 100.1 | 133.4 | -49.7 | -18 | 0 | 0 | 0 | 120.7 | ||||
| 316 | T | 23.4 | Very low | 22.4 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | 76.3 | 119.5 | 123.1 | 52.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 317 | V | 21.9 | Very low | 22.6 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | 91.9 | 105.4 | 120.2 | 169.4 | 0 | 0 | 0 | 0 | 119 | |||||
| 318 | L | 23.4 | Very low | 22.9 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | 103.5 | 141.9 | 135.9 | -81.4 | 170.6 | 0 | 0 | 0 | 123 | ||||
| 319 | S | 22.4 | Very low | 22.8 | Very low | 100 Ų | 100 | 148.8 Ų | 148.8 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 64.9 | 90.1 | 155.8 | 36.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 320 | N | 19.5 | Very low | 22.9 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | 6.5 | 132.7 | 116.8 | -61.7 | -2.5 | 0 | 0 | 0 | 118.2 | |||||
| 321 | D | 22.8 | Very low | 22.9 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | 146.3 | 147 | 129.4 | -79.1 | -15.3 | 0 | 0 | 0 | 109.6 | |||||
| 322 | S | 22.5 | Very low | 22.8 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | cis | -166.1 | 170.6 | -24.5 | 55.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 323 | H | 24 | Very low | 22.6 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 73 | 131.6 | 154.9 | -80.9 | -64.5 | 0 | 0 | 0 | 123.3 | ||||
| 324 | F | 22.3 | Very low | 22.5 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | 70.7 | 96.3 | 152.4 | -79.2 | -78.4 | 0 | 0 | 0 | 121.5 | ||||
| 325 | S | 21.7 | Very low | 22.6 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -48.2 | 136.9 | 139.1 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 326 | D | 23.5 | Very low | 22.5 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -160.8 | 102.6 | 144.2 | -101.4 | -28.3 | 0 | 0 | 0 | 110.2 | ||||
| 327 | F | 22.4 | Very low | 22.6 | Very low | 206 Ų | 206 | 135.7 Ų | 135.7 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | trans | -145.3 | 123.2 | 161.7 | -106.1 | -82.3 | 0 | 0 | 0 | 109.1 | ||||
| 328 | P | 26.4 | Very low | 22.5 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -77.2 | 130.7 | -167.8 | 29.8 | -34.9 | 0 | 0 | 0 | 111.6 | ||||
| 329 | N | 22 | Very low | 22.5 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -110.6 | 136.4 | 177.3 | -130.6 | -20.6 | 0 | 0 | 0 | 110.1 | ||||
| 330 | L | 22.3 | Very low | 22.4 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 66.4 | 100.7 | 156.8 | -57.8 | 162.4 | 0 | 0 | 0 | 118.6 | ||||
| 331 | S | 21.1 | Very low | 22.6 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -152.2 | 150.7 | 154.9 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 332 | S | 23.2 | Very low | 22.7 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | 60.4 | 108.2 | -170.6 | 68.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 333 | A | 22.5 | Very low | 22.8 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | cis | 65.8 | 135.4 | 17.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 334 | Q | 19.3 | Very low | 22.7 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 75.2 | 124.2 | -163.9 | -50.4 | -57.1 | -24.2 | 0 | 0 | 113.1 | ||||
| 335 | P | 24.2 | Very low | 22.7 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | -123.8 | 128.2 | 61.5 | 36.3 | -26.7 | 0 | 0 | 0 | 114.9 | |||||
| 336 | G | 21.4 | Very low | 22.8 | Very low | 47 Ų | 47 | 138.4 Ų | 138.4 | 49% | 0.485 | 79% | 0.793 | S | S | . | * | trans | -80.3 | 130.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 337 | F | 25.8 | Very low | 23 | Very low | 214 Ų | 214 | 140.5 Ų | 140.5 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | trans | -138.3 | 120.5 | 143 | -102.8 | -76.1 | 0 | 0 | 0 | 109.3 | ||||
| 338 | I | 20.2 | Very low | 22.9 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | -93.7 | 131.3 | -173.1 | -67.6 | 164.6 | 0 | 0 | 0 | 109.6 | R340 | I338-R340 HydrophobicContact CG2-CG 3.93Š| ||
| 339 | S | 23.8 | Very low | 22.7 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -172.9 | 87.2 | 148.1 | -80.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 340 | R | 20.4 | Very low | 22.7 | Very low | 228 Ų | 228 | 145.4 Ų | 145.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | 59 | 94.9 | 82.7 | -76 | -172.9 | 166.9 | -177.1 | -3.1 | 114.9 | I338 | I338-R340 HydrophobicContact CG2-CG 3.93Š| |||
| 341 | S | 23.5 | Very low | 22.9 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | 142.4 | 135.7 | 137.8 | 58.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 342 | S | 24 | Very low | 22.8 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | cis | -171.3 | 156 | -23.4 | 36.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 343 | S | 24.6 | Very low | 22.8 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | 68.8 | 66.7 | 166.2 | -165.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 344 | L | 23.4 | Very low | 23.1 | Very low | 173 Ų | 173 | 153.4 Ų | 153.4 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -127.3 | 81.9 | 144.5 | -82.3 | 175.7 | 0 | 0 | 0 | 108.1 | ||||
| 345 | N | 21.9 | Very low | 23.2 | Very low | 165 Ų | 165 | 150.5 Ų | 150.5 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -165.1 | 65.4 | 168.1 | -100.9 | -24.5 | 0 | 0 | 0 | 110.5 | ||||
| 346 | S | 24.1 | Very low | 23.3 | Very low | 97 Ų | 97 | 152.5 Ų | 152.5 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -145 | 151 | 158.9 | 51 | 0 | 0 | 0 | 0 | 106.5 | ||
| 347 | E | 25.9 | Very low | 23.3 | Very low | 193 Ų | 193 | 158.7 Ų | 158.7 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | 72.8 | 38.8 | -177.9 | -55 | 174.3 | -172.8 | 0 | 0 | 115.8 | ||||
| 348 | L | 20.9 | Very low | 23.1 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -111.1 | 43 | 150 | -122 | 174.9 | 0 | 0 | 0 | 110.9 | ||||
| 349 | R | 22.2 | Very low | 23.2 | Very low | 233 Ų | 233 | 155 Ų | 155 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -147.2 | 91.4 | 172.2 | -80.5 | -168.8 | 178.1 | -173.8 | 0.2 | 109.9 | ||||
| 350 | E | 23.3 | Very low | 23.1 | Very low | 178 Ų | 178 | 157.3 Ų | 157.3 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -173.4 | 159.8 | 133.3 | -108.2 | 176.8 | -174.7 | 0 | 0 | 110.6 | ||
| 351 | F | 24.7 | Very low | 23.1 | Very low | 183 Ų | 183 | 156.8 Ų | 156.8 | 80% | 0.803 | 80% | 0.798 | S | S | * | * | trans | 61.2 | 62.2 | 178.6 | -69.5 | -77.3 | 0 | 0 | 0 | 118.2 | ||||
| 352 | N | 19.1 | Very low | 23 | Very low | 152 Ų | 152 | 155 Ų | 155 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -109.4 | 106.5 | 130.7 | -176.8 | 6 | 0 | 0 | 0 | 108.2 | ||||
| 353 | Q | 24.7 | Very low | 22.7 | Very low | 155 Ų | 155 | 154.9 Ų | 154.9 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | 168.3 | 123 | 155.1 | -98 | 166.7 | 35.1 | 0 | 0 | 112.5 | ||||
| 354 | N | 27.1 | Very low | 22.6 | Very low | 150 Ų | 150 | 155.8 Ų | 155.8 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 168.7 | 81.2 | 137.9 | -89.3 | -16.8 | 0 | 0 | 0 | 107.9 | ||||
| 355 | T | 22.6 | Very low | 22.5 | Very low | 109 Ų | 109 | 156 Ų | 156 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | 40.8 | 106.1 | 81 | 61.8 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 356 | Q | 24.9 | Very low | 22.3 | Very low | 171 Ų | 171 | 154.8 Ų | 154.8 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | -172.5 | 119.6 | 103.5 | -93.2 | 170.7 | 19.3 | 0 | 0 | 108.5 | |||||
| 357 | Q | 22.3 | Very low | 22.2 | Very low | 177 Ų | 177 | 157.6 Ų | 157.6 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | 56.5 | 119 | 104.4 | -63.7 | -178 | -4.5 | 0 | 0 | 113.2 | |||||
| 358 | S | 22.2 | Very low | 21.8 | Very low | 96 Ų | 96 | 153.7 Ų | 153.7 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | -178.4 | 165.8 | 60 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 359 | F | 21.8 | Very low | 22 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 64.1 | 102.8 | 163.5 | -63.3 | -70.5 | 0 | 0 | 0 | 122.7 | ||||
| 360 | H | 22.2 | Very low | 21.9 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | 37 | 133.5 | 110.9 | -72.8 | -81.9 | 0 | 0 | 0 | 118.4 | |||||
| 361 | R | 19.6 | Very low | 21.9 | Very low | 217 Ų | 217 | 145.9 Ų | 145.9 | 82% | 0.819 | 76% | 0.763 | S | S | * | * | cis | -177.4 | 159.7 | 36.9 | -153.4 | -170.4 | 179.3 | -162.3 | 1 | 111 | ||||
| 362 | S | 21.1 | Very low | 21.6 | Very low | 80 Ų | 80 | 144.3 Ų | 144.3 | 56% | 0.559 | 76% | 0.763 | S | S | * | * | trans | 48.4 | 103.2 | 145.6 | 55.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 363 | S | 18.5 | Very low | 21.8 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 21.1 | 130.7 | 110.2 | 63.7 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 364 | V | 21.9 | Very low | 21.7 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | 172.5 | 135.3 | 108.1 | 154.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 365 | K | 20.7 | Very low | 21.9 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | trans | 4.6 | 141.8 | 154.8 | -53.4 | 174.3 | -179.9 | 177 | 0 | 120.9 | ||||
| 366 | N | 18.9 | Very low | 21.8 | Very low | 138 Ų | 138 | 148.7 Ų | 148.7 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 43 | 120.5 | 135.5 | -53 | 6.1 | 0 | 0 | 0 | 119.6 | ||||
| 367 | N | 20.6 | Very low | 21.6 | Very low | 156 Ų | 156 | 147 Ų | 147 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | -174.5 | 163.5 | 100.8 | -96.3 | -14.6 | 0 | 0 | 0 | 113.5 | |||||
| 368 | S | 18.8 | Very low | 21.7 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -94.1 | 127.8 | 175.3 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 369 | S | 23.8 | Very low | 21.6 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -173.8 | 109.8 | 161.4 | 51.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 370 | Q | 21.6 | Very low | 21.7 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | 77.1 | 145.5 | 92.7 | -94.9 | -176.3 | -19.7 | 0 | 0 | 116.1 | |||||
| 371 | T | 21.8 | Very low | 21.8 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | 75.4 | 109.2 | 171.3 | 67.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 372 | N | 20.4 | Very low | 21.9 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 30.2 | 121.3 | 132 | -60.9 | -18.5 | 0 | 0 | 0 | 120.7 | ||||
| 373 | L | 21.7 | Very low | 22.1 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | -174.9 | 152.9 | 99.6 | -94.8 | 166.1 | 0 | 0 | 0 | 112.1 | |||||
| 374 | Q | 22.4 | Very low | 22.1 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -111.9 | 166.6 | -179.3 | -103.4 | -95.3 | -2.5 | 0 | 0 | 109.4 | ||||
| 375 | P | 32.5 | Very low | 22.2 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | -108.8 | 161.9 | -92 | 40.8 | -29.6 | 0 | 0 | 0 | 113.1 | |||||
| 376 | F | 21.1 | Very low | 22.2 | Very low | 209 Ų | 209 | 149.4 Ų | 149.4 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | -100.8 | 128.7 | 168.9 | -106.3 | -87 | 0 | 0 | 0 | 112.8 | ||||
| 377 | N | 19 | Very low | 22.4 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -93.4 | 139.4 | 178.3 | -164.3 | -4.4 | 0 | 0 | 0 | 109.4 | ||||
| 378 | L | 25.5 | Very low | 22.6 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -153.1 | 107.9 | 174.3 | -113.6 | 149.9 | 0 | 0 | 0 | 112.7 | ||||
| 379 | N | 20.5 | Very low | 22.8 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -69.3 | 150.5 | 169.3 | -70.5 | -51.6 | 0 | 0 | 0 | 111.4 | ||||
| 380 | G | 24.2 | Very low | 22.8 | Very low | 74 Ų | 74 | 152.7 Ų | 152.7 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | -161.9 | 99.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 381 | C | 23.7 | Very low | 22.9 | Very low | 130 Ų | 130 | 150.7 Ų | 150.7 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | 66.7 | 123.1 | 158.2 | -74.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 382 | Q | 20.6 | Very low | 23.1 | Very low | 175 Ų | 175 | 149.9 Ų | 149.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -86.7 | 147.9 | 167.7 | -60.8 | 172 | -23.6 | 0 | 0 | 111.4 | ||||
| 383 | Y | 25.1 | Very low | 23.3 | Very low | 221 Ų | 221 | 148.6 Ų | 148.6 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -122.3 | 86.3 | 157.4 | -87.5 | -79.5 | 0 | 0 | 0 | 110 | T385 | Y383-T385 PolarHBondContact O-N 3.1Š| ||
| 384 | E | 19.7 | Very low | 23.3 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 63% | 0.626 | 80% | 0.8 | S | S | * | * | trans | -76.3 | 102.6 | 177.4 | -171.4 | -173.4 | -102.3 | 0 | 0 | 110.3 | R386 | E384-R386 IonicContact OE2-CZ 2.72Å; E384-R386 IonicContact OE2-NE 3.07Å; E384-R386 PolarHBondContact OE2-NE 3.45Å; E384-R386 IonicContact OE2-NH2 3.34Å; E384-R386 PolarHBondContact OE2-NH2 2.8Å | ||
| 385 | T | 23.3 | Very low | 23.5 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | -106.5 | 102.8 | 176.8 | -43.1 | 0 | 0 | 0 | 0 | 110.5 | Y383 | Y383-T385 PolarHBondContact O-N 3.1Š| ||
| 386 | R | 21.4 | Very low | 23.3 | Very low | 207 Ų | 207 | 154.7 Ų | 154.7 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | -74.1 | 131.6 | -175.3 | -61.5 | 177.3 | -178.3 | -171.8 | -2.2 | 111.9 | E384 | E384-R386 IonicContact OE2-CZ 2.72Å; E384-R386 IonicContact OE2-NE 3.07Å; E384-R386 PolarHBondContact OE2-NE 3.45Å; E384-R386 IonicContact OE2-NH2 3.34Å; E384-R386 PolarHBondContact OE2-NH2 2.8Å | ||
| 387 | I | 23.8 | Very low | 23.5 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | trans | -117.1 | 138.1 | 166.6 | -62.6 | -179.8 | 0 | 0 | 0 | 108.5 | ||||
| 388 | P | 24.2 | Very low | 23.9 | Very low | 118 Ų | 118 | 153 Ų | 153 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | -81.8 | 146.2 | -160.2 | -12.9 | 30.5 | 0 | 0 | 0 | 114.6 | A390 | P388-A390 PolarHBondContact O-N 3.45Š| ||
| 389 | K | 22.1 | Very low | 24.1 | Very low | 206 Ų | 206 | 149.9 Ų | 149.9 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -69.9 | 111.7 | 166.7 | -65.8 | -178.8 | 178 | -176.9 | 0 | 109.8 | ||||
| 390 | A | 25.4 | Very low | 24.6 | Very low | 100 Ų | 100 | 153.9 Ų | 153.9 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -99.7 | 103.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P388 | P388-A390 PolarHBondContact O-N 3.45Š| ||
| 391 | T | 22.4 | Very low | 24.8 | Very low | 141 Ų | 141 | 157.9 Ų | 157.9 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | trans | -87.1 | 106.3 | 173.9 | 37 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 392 | S | 26.3 | Very low | 25.3 | Very low | 108 Ų | 108 | 157.9 Ų | 157.9 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -160.8 | 123.9 | 160.8 | -161.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 393 | T | 24.5 | Very low | 25.7 | Very low | 123 Ų | 123 | 154.4 Ų | 154.4 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | 2.5 | 125.4 | 160.3 | 58.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 394 | R | 21 | Very low | 26.1 | Very low | 240 Ų | 240 | 147.6 Ų | 147.6 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | 24.7 | 105.5 | 146.5 | -69.1 | -174.6 | 177.8 | -176.5 | -0.7 | 118.4 | ||||
| 395 | H | 27.3 | Very low | 26.8 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -153.8 | 146.3 | 139.9 | -93.2 | -60.1 | 0 | 0 | 0 | 111.9 | ||||
| 396 | N | 28.7 | Very low | 27.4 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -29.7 | 130.8 | -170.8 | -59.6 | 3.7 | 0 | 0 | 0 | 118.3 | ||||
| 397 | C | 24.5 | Very low | 28 | Very low | 134 Ų | 134 | 146 Ų | 146 | 91% | 0.905 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 127.7 | 174.6 | -47.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 398 | H | 27.4 | Very low | 28.4 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 159.3 | 163.7 | -88.8 | -69.9 | 0 | 0 | 0 | 110.3 | ||
| 399 | A | 29.5 | Very low | 28.9 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 155.6 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | D401 | A399-D401 PolarHBondContact O-N 2.87Š|
| 400 | Y | 31.3 | Very low | 29.2 | Very low | 235 Ų | 235 | 139.9 Ų | 139.9 | 92% | 0.922 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 117.6 | 175.9 | -68.4 | -94.1 | 0 | 0 | 0 | 112.4 | T402 | Y400-T402 PolarHBondContact O-N 3.37Š|
| 401 | D | 29.2 | Very low | 29.3 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -73.8 | 109.4 | 163.9 | -100.6 | -26.6 | 0 | 0 | 0 | 109.1 | A399 V403 | A399-D401 PolarHBondContact O-N 2.87Å; D401-V403 PolarHBondContact O-N 2.95Å | ||
| 402 | T | 32.8 | Very low | 29.6 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | trans | -68.7 | 111.4 | 172.6 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | Y400 P404 | Y400-T402 PolarHBondContact O-N 3.37Å; T402-P404 WeakPolarHBondContact O-CD 3.29Å | ||
| 403 | V | 29.5 | Very low | 29.6 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 62% | 0.618 | 75% | 0.752 | S | S | * | * | trans | -74.7 | 122 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | D401 K407 | D401-V403 PolarHBondContact O-N 2.95Å; V403-K407 HydrophobicContact CG1-CB 4.45Å | ||
| 404 | P | 33.7 | Very low | 29.7 | Very low | 77 Ų | 77 | 145.7 Ų | 145.7 | 50% | 0.5 | 75% | 0.751 | S | S | . | * | trans | -66.9 | 141.5 | 178.9 | -22 | 34.5 | 0 | 0 | 0 | 113 | T402 D406 K407 | T402-P404 WeakPolarHBondContact O-CD 3.29Å; P404-D406 PolarHBondContact O-N 3.34Å; P404-K407 PolarHBondContact O-N 3.24Å | ||
| 405 | L | 34.3 | Very low | 30 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -48.8 | -35.5 | -173.2 | -100.7 | 68 | 0 | 0 | 0 | 115.3 | K407 L408 | L405-K407 PolarHBondContact O-N 3.25Å; L405-L408 PolarHBondContact O-N 3.35Å |
| 406 | D | 37 | Very low | 29.9 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -57.4 | -5 | -178.7 | -66.2 | 14.5 | 0 | 0 | 0 | 114.9 | P404 K719 | P404-D406 PolarHBondContact O-N 3.34Å; D406-K719 IonicContact OD2-NZ 2.71Å; D406-K719 PolarHBondContact OD2-NZ 3.1Å |
| 407 | K | 32.4 | Very low | 29.7 | Very low | 154 Ų | 154 | 136 Ų | 136 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -116.5 | 3.8 | -176.4 | -70.1 | -173.6 | 179.6 | 174.7 | 0 | 116.1 | V403 P404 L405 E409 | V403-K407 HydrophobicContact CG1-CB 4.45Å; P404-K407 PolarHBondContact O-N 3.24Å; L405-K407 PolarHBondContact O-N 3.25Å; K407-E409 PolarHBondContact O-N 3.35Å; K407-E409 VanDerWaalsContact O-N 3.13Å |
| 408 | L | 32.4 | Very low | 29.6 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 50% | 0.497 | 74% | 0.738 | S | S | . | * | trans | -83.2 | 78.7 | 173.4 | -80.4 | 159.2 | 0 | 0 | 0 | 110.7 | L405 C410 L411 | L405-L408 PolarHBondContact O-N 3.35Å; L408-C410 PolarHBondContact O-N 2.86Å; L408-C410 VanDerWaalsContact O-N 3.16Å; L408-L411 PolarHBondContact O-N 3.09Å | ||
| 409 | E | 35.1 | Very low | 29.3 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 67% | 0.673 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -66.7 | -10.8 | 175.3 | -70.7 | -153.9 | 119.1 | 0 | 0 | 113.9 | K407 L411 K412 | K407-E409 PolarHBondContact O-N 3.35Å; K407-E409 VanDerWaalsContact O-N 3.13Å; E409-L411 VanDerWaalsContact C-N 3.27Å; E409-L411 PolarHBondContact O-N 2.75Å; E409-K412 IonicContact OE1-NZ 2.72Å; E409-K412 PolarHBondContact OE1-NZ 2.74Å |
| 410 | C | 29.2 | Very low | 29 | Very low | 111 Ų | 111 | 141 Ų | 141 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -73.7 | -10.1 | 174.8 | -58.8 | 0 | 0 | 0 | 0 | 114.5 | L408 | L408-C410 PolarHBondContact O-N 2.86Å; L408-C410 VanDerWaalsContact O-N 3.16Å |
| 411 | L | 27.6 | Very low | 28.4 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -101.1 | 12.5 | 177 | -68.5 | 176.4 | 0 | 0 | 0 | 114 | L408 E409 L413 | L408-L411 PolarHBondContact O-N 3.09Å; E409-L411 VanDerWaalsContact C-N 3.27Å; E409-L411 PolarHBondContact O-N 2.75Å; L411-L413 VanDerWaalsContact C-N 3.28Å |
| 412 | K | 28.1 | Very low | 28 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 68% | 0.683 | 73% | 0.729 | S | S | * | * | trans | -86.3 | 11.5 | 169.8 | -77.4 | -178 | 179.4 | 168.2 | 0 | 114 | E409 | E409-K412 IonicContact OE1-NZ 2.72Å; E409-K412 PolarHBondContact OE1-NZ 2.74Å | ||
| 413 | L | 25.8 | Very low | 27.4 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | -115.2 | 55.2 | -179.7 | -72.9 | 172.2 | 0 | 0 | 0 | 112.5 | L411 | L411-L413 VanDerWaalsContact C-N 3.28Š| ||
| 414 | I | 27.2 | Very low | 27 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -128.5 | 114.3 | 152.5 | -58.3 | -179.6 | 0 | 0 | 0 | 105.9 | S416 | I414-S416 PolarHBondContact O-N 3.46Š|
| 415 | P | 27.4 | Very low | 26.4 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | trans | -62.9 | 120.6 | -176.4 | -23.8 | 34.2 | 0 | 0 | 0 | 111.9 | V417 | P415-V417 PolarHBondContact O-N 3.41Š| ||
| 416 | S | 24 | Very low | 25.9 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -66.9 | 101.5 | 169.9 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | I414 Q418 | I414-S416 PolarHBondContact O-N 3.46Å; S416-Q418 PolarHBondContact O-N 3.24Å | ||
| 417 | V | 24.8 | Very low | 25.3 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | -73.2 | 78.2 | 169.3 | -175.7 | 0 | 0 | 0 | 0 | 109 | P415 | P415-V417 PolarHBondContact O-N 3.41Š| ||
| 418 | Q | 22 | Very low | 24.9 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -94.2 | 155.9 | 150.9 | -80.3 | -173.6 | -27.7 | 0 | 0 | 108.6 | S416 | S416-Q418 PolarHBondContact O-N 3.24Š| ||
| 419 | M | 21.9 | Very low | 24.6 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 77% | 0.768 | 78% | 0.78 | S | S | * | * | trans | 78.1 | 76.3 | -179.9 | -50.1 | -60.5 | -72.4 | 0 | 0 | 116 | ||||
| 420 | L | 22.3 | Very low | 24 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 95% | 0.953 | 79% | 0.793 | S | S | * | * | -136.7 | 93.6 | 128.7 | -101 | 175.8 | 0 | 0 | 0 | 109.6 | |||||
| 421 | S | 18.9 | Very low | 23.7 | Very low | 87 Ų | 87 | 144.2 Ų | 144.2 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | trans | -119.6 | 125.6 | 168.5 | 61.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 422 | K | 21.3 | Very low | 23.6 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | 106 | 143.1 | 168 | -61.7 | -178.1 | 176.6 | -176.5 | 0 | 117.9 | ||||
| 423 | S | 20.2 | Very low | 23.4 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 63.9 | 104.6 | 157.2 | 46.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 424 | S | 20.6 | Very low | 23.3 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | 19.9 | 118.8 | 121.1 | 57.4 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 425 | E | 22.5 | Very low | 23.1 | Very low | 196 Ų | 196 | 145.9 Ų | 145.9 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | -164.7 | 169.8 | 107.9 | -110 | 170.2 | -174.4 | 0 | 0 | 111.9 | |||||
| 426 | V | 22.9 | Very low | 22.9 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -77.5 | 135.9 | -171.5 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 427 | N | 25.5 | Very low | 22.9 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -155.5 | 140.8 | 138.9 | -100.3 | -31 | 0 | 0 | 0 | 111.7 | ||||
| 428 | S | 22.5 | Very low | 22.8 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -78.5 | 122.2 | -177.6 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 429 | E | 26.1 | Very low | 23 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -174 | 66.3 | 147.1 | -107.2 | 166.4 | -153 | 0 | 0 | 109.8 | ||||
| 430 | L | 23.5 | Very low | 23.1 | Very low | 180 Ų | 180 | 147.6 Ų | 147.6 | 94% | 0.942 | 82% | 0.819 | S | S | * | * | trans | -138.5 | 59.8 | 169.2 | -148.3 | 102.8 | 0 | 0 | 0 | 111.2 | ||||
| 431 | S | 22.9 | Very low | 23.3 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -137.5 | 66.1 | 174 | 60.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 432 | N | 24.5 | Very low | 23.4 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -158.3 | 140.5 | 158.6 | -96.2 | -37.5 | 0 | 0 | 0 | 110.7 | ||
| 433 | L | 24.8 | Very low | 23.5 | Very low | 161 Ų | 161 | 148.3 Ų | 148.3 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | 66.5 | 71.3 | 170.2 | -56.8 | 171.6 | 0 | 0 | 0 | 117.1 | ||||
| 434 | T | 23.5 | Very low | 23.5 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 93% | 0.933 | 83% | 0.826 | S | S | * | * | trans | -129.1 | 80.8 | 140.6 | -51.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 435 | L | 22.9 | Very low | 23.6 | Very low | 161 Ų | 161 | 150 Ų | 150 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -119 | 111.2 | 169 | -155.8 | 97.8 | 0 | 0 | 0 | 107.9 | ||||
| 436 | I | 24.3 | Very low | 23.5 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | 173 | 98.4 | 151.6 | -86.7 | 149.1 | 0 | 0 | 0 | 104.4 | ||||
| 437 | K | 23.9 | Very low | 23.3 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -117.8 | 115.3 | 164.5 | -98.6 | -169.5 | 176.3 | -176.8 | 0 | 107.7 | ||||
| 438 | S | 22.2 | Very low | 23.1 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | 25.2 | 136.1 | 134.2 | 59.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 439 | S | 25.7 | Very low | 23 | Very low | 112 Ų | 112 | 148.6 Ų | 148.6 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | 91.2 | 99.9 | 141.2 | -159.1 | 0 | 0 | 0 | 0 | 117.9 | Y441 | S439-Y441 PolarHBondContact O-N 3.39Š| ||
| 440 | D | 24.3 | Very low | 22.8 | Very low | 155 Ų | 155 | 148.1 Ų | 148.1 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -66.8 | 122.3 | 157.7 | -54.4 | -68.5 | 0 | 0 | 0 | 110.7 | ||||
| 441 | Y | 26 | Very low | 22.7 | Very low | 221 Ų | 221 | 142.6 Ų | 142.6 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -168.7 | 119.1 | 143.7 | -114.3 | -75.7 | 0 | 0 | 0 | 108.5 | S439 | S439-Y441 PolarHBondContact O-N 3.39Š| ||
| 442 | V | 21.5 | Very low | 22.6 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -110.2 | 117.3 | -177.5 | 178.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 443 | P | 23.1 | Very low | 22.5 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -113 | 151.1 | 157.2 | 36 | -27.1 | 0 | 0 | 0 | 112 | ||||
| 444 | T | 21.1 | Very low | 22.4 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -73.6 | 160.4 | -176 | -42.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 445 | T | 21.5 | Very low | 22.3 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | 121.7 | 99.6 | 138 | -39.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 446 | I | 20.9 | Very low | 22.1 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | trans | 62.1 | 114.2 | 134.2 | -57 | 176 | 0 | 0 | 0 | 121.3 | ||||
| 447 | S | 19.2 | Very low | 21.9 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | 28.2 | 130.2 | 126.3 | -35.9 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 448 | F | 20.7 | Very low | 21.8 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 80% | 0.803 | 77% | 0.771 | S | S | * | * | 175.8 | 117.2 | 115.3 | -91.3 | -77.1 | 0 | 0 | 0 | 106 | |||||
| 449 | L | 19.6 | Very low | 21.5 | Very low | 139 Ų | 139 | 146 Ų | 146 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | 73.5 | 136.7 | 78.9 | -99.5 | 171.5 | 0 | 0 | 0 | 115.8 | |||||
| 450 | H | 22.4 | Very low | 21.4 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | 66.6 | 140.1 | -177.9 | -71.6 | -89 | 0 | 0 | 0 | 117.8 | ||||
| 451 | G | 21.3 | Very low | 21.1 | Very low | 63 Ų | 63 | 147.2 Ų | 147.2 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | cis | 125.6 | 100.3 | -9.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 452 | D | 22.2 | Very low | 20.8 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -167.2 | 151.1 | 169.5 | -108.6 | -9.2 | 0 | 0 | 0 | 107.9 | ||||
| 453 | Q | 21.6 | Very low | 20.8 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | cis | -166.8 | 152.6 | -28.2 | -139.8 | -174.1 | 80.6 | 0 | 0 | 108.1 | ||||
| 454 | K | 21.8 | Very low | 20.7 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 72.5 | 141.6 | 173.8 | -53.9 | 161.8 | -174.9 | 172.9 | 0 | 113.8 | ||||
| 455 | Q | 22.2 | Very low | 20.7 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | cis | -140.5 | 170.1 | 27.2 | -149.6 | 162.9 | 0.1 | 0 | 0 | 113 | ||||
| 456 | E | 18.7 | Very low | 20.7 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -65.8 | 142.9 | -164.2 | -59.7 | 134.7 | 123.8 | 0 | 0 | 116 | ||||
| 457 | L | 20.8 | Very low | 20.8 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | trans | -160.6 | 122.6 | 146 | -114 | 150.2 | 0 | 0 | 0 | 113.1 | ||||
| 458 | H | 20.8 | Very low | 21.1 | Very low | 172 Ų | 172 | 152 Ų | 152 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | 30.1 | 136.3 | 161.1 | -93.3 | -83.4 | 0 | 0 | 0 | 124.6 | ||||
| 459 | T | 17 | Very low | 21 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -59.3 | 137.3 | 166.3 | 51.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 460 | S | 22.6 | Very low | 21.3 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -152.1 | 143.7 | 139.3 | 54.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 461 | E | 17.5 | Very low | 21.2 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -89.3 | 149.3 | -178.2 | -57.7 | 163.6 | 134.1 | 0 | 0 | 110.7 | ||||
| 462 | Y | 20.3 | Very low | 21.5 | Very low | 200 Ų | 200 | 154 Ų | 154 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | 167.8 | 115.8 | 122.4 | -106.8 | -104.2 | 0 | 0 | 0 | 113.2 | |||||
| 463 | N | 21.6 | Very low | 21.5 | Very low | 124 Ų | 124 | 154 Ų | 154 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | trans | 43.8 | 120.7 | 136 | -65.8 | -16.7 | 0 | 0 | 0 | 124.5 | ||||
| 464 | T | 20.7 | Very low | 21.5 | Very low | 115 Ų | 115 | 152.7 Ų | 152.7 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 39.4 | 129.4 | 114.7 | 3.4 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 465 | E | 22.1 | Very low | 21.5 | Very low | 138 Ų | 138 | 150.7 Ų | 150.7 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | -175.8 | 149.6 | 65.1 | -79.8 | -150.9 | 133 | 0 | 0 | 114.8 | |||||
| 466 | K | 21.9 | Very low | 21.8 | Very low | 144 Ų | 144 | 149.5 Ų | 149.5 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | trans | 52.8 | 126.9 | 134.1 | -63.8 | 173.9 | -173.9 | 149.9 | 0 | 124.4 | ||||
| 467 | N | 21.3 | Very low | 21.8 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | 55.8 | 121.8 | 125.4 | -53.2 | -11.5 | 0 | 0 | 0 | 121.6 | |||||
| 468 | Q | 26.2 | Very low | 22 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | -168.6 | 138.5 | 96.4 | -104.7 | 176.3 | 0.6 | 0 | 0 | 114.2 | |||||
| 469 | T | 19.4 | Very low | 22.2 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -91.4 | 141.3 | 167.5 | 41.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 470 | Q | 24.5 | Very low | 22.8 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | trans | -178.2 | 120.7 | 134 | -100 | 165.6 | 11.9 | 0 | 0 | 109.1 | ||||
| 471 | V | 21.8 | Very low | 22.7 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | 59.5 | 97.6 | 91.7 | -178 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 472 | I | 27.6 | Very low | 23 | Very low | 176 Ų | 176 | 151.5 Ų | 151.5 | 90% | 0.903 | 76% | 0.758 | S | S | * | * | trans | -132.3 | 127.5 | 130.3 | -63.8 | -172.6 | 0 | 0 | 0 | 107 | ||||
| 473 | E | 20.7 | Very low | 23.4 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -112.2 | 168.2 | -176.3 | -145.6 | -179.8 | -133.3 | 0 | 0 | 108.8 | ||||
| 474 | N | 21.5 | Very low | 23.5 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | trans | 74.5 | 114.7 | 148 | -68.3 | -24.9 | 0 | 0 | 0 | 122.4 | ||||
| 475 | N | 22.1 | Very low | 23.5 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | 96.1 | 162.1 | 115 | -71.9 | -20 | 0 | 0 | 0 | 122.3 | |||||
| 476 | I | 28.2 | Very low | 23.8 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 94 | 66.8 | 163.5 | -42.1 | -171.6 | 0 | 0 | 0 | 116.1 | ||||
| 477 | L | 20.1 | Very low | 23.8 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | -34 | 130.3 | 124.4 | 179.6 | 86.8 | 0 | 0 | 0 | 112.7 | |||||
| 478 | K | 23.8 | Very low | 23.8 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | 172 | 146 | 130.9 | -99.2 | 175 | 178.8 | -170.8 | 0 | 114.8 | ||||
| 479 | D | 24.5 | Very low | 23.5 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | trans | 49.8 | 135 | 144.7 | -46.7 | -30.3 | 0 | 0 | 0 | 119.2 | ||||
| 480 | T | 30.3 | Very low | 23.5 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | cis | -153.1 | 155.5 | 48.3 | 37.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 481 | R | 20.4 | Very low | 23.3 | Very low | 227 Ų | 227 | 139.6 Ų | 139.6 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | -91.9 | 156.4 | 165.2 | -83.3 | 176.5 | 167.6 | 154.3 | -5.7 | 110.9 | ||||
| 482 | N | 23.8 | Very low | 23.3 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | 65.4 | 118.2 | 156.3 | -59.5 | -4.8 | 0 | 0 | 0 | 119.3 | ||||
| 483 | S | 29.3 | Very low | 22.9 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | -149.1 | 150.2 | 127.3 | -166.5 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 484 | V | 22.8 | Very low | 23 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | -136.2 | 144.6 | -170.2 | 165.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 485 | D | 21.6 | Very low | 22.8 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 60.7 | 116.5 | 166.1 | -65.1 | -22.4 | 0 | 0 | 0 | 122.1 | ||||
| 486 | M | 27.2 | Very low | 22.9 | Very low | 159 Ų | 159 | 142 Ų | 142 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | -167.9 | 131 | 125.1 | -99.1 | -152.9 | 71.1 | 0 | 0 | 108 | |||||
| 487 | L | 22.8 | Very low | 22.4 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | 52.9 | 139.3 | 74.2 | -70.7 | 170 | 0 | 0 | 0 | 113.9 | |||||
| 488 | V | 20.4 | Very low | 22.6 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | cis | -165.5 | 160 | -25 | 93.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 489 | T | 21 | Very low | 22.6 | Very low | 115 Ų | 115 | 138 Ų | 138 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 56.9 | 114.6 | 164.1 | 50.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 490 | S | 19.6 | Very low | 22.5 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 99.1 | 142.2 | 114.9 | 79.7 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 491 | S | 20.6 | Very low | 22.2 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 90.5 | 122.4 | 144.3 | -55.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 492 | S | 21.3 | Very low | 22.4 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 56.4 | 112 | 143.8 | 55.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 493 | E | 19.5 | Very low | 22.4 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | 32.2 | 111.8 | 119.1 | -60.1 | 177.9 | 167.6 | 0 | 0 | 118.4 | |||||
| 494 | T | 21.7 | Very low | 22 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 91% | 0.914 | 75% | 0.754 | S | S | * | * | -167.1 | 148.4 | 123.2 | 11.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 495 | E | 18.4 | Very low | 22.2 | Very low | 187 Ų | 187 | 139.1 Ų | 139.1 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -75.6 | 127.5 | 172.2 | -53.8 | 166.9 | 122.4 | 0 | 0 | 110.3 | ||||
| 496 | V | 22.6 | Very low | 22.2 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | -145 | 121.7 | 147.5 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | V498 | V496-V498 HydrophobicContact CG1-CG2 4.11Š| ||
| 497 | S | 19.4 | Very low | 21.8 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -78.9 | 128.6 | 169.4 | -44.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 498 | V | 24.1 | Very low | 21.7 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -131.3 | 137.5 | 164.1 | -177.2 | 0 | 0 | 0 | 0 | 111 | V496 | V496-V498 HydrophobicContact CG1-CG2 4.11Š| ||
| 499 | L | 22 | Very low | 21.7 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | trans | -76.7 | 175.4 | -174 | -95 | 72 | 0 | 0 | 0 | 114.8 | ||||
| 500 | N | 24 | Very low | 22 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 65% | 0.652 | 79% | 0.785 | S | S | * | * | trans | 103 | 138.6 | 151.7 | -60.8 | -36.5 | 0 | 0 | 0 | 115.9 | ||||
| 501 | H | 23.5 | Very low | 22.1 | Very low | 140 Ų | 140 | 148 Ų | 148 | 65% | 0.648 | 79% | 0.791 | S | S | * | * | cis | -163.9 | 161.1 | -2.3 | -124.7 | -19.3 | 0 | 0 | 0 | 113.3 | ||||
| 502 | K | 23.7 | Very low | 22 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 70% | 0.704 | 79% | 0.792 | S | S | * | * | trans | 63.4 | 104.6 | 145.2 | -69.8 | 168.9 | -178.1 | 177.2 | 0 | 120.9 | ||||
| 503 | H | 24.1 | Very low | 22 | Very low | 191 Ų | 191 | 149 Ų | 149 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | 179.3 | 149.7 | 123.5 | -88.7 | -60.3 | 0 | 0 | 0 | 106.3 | |||||
| 504 | S | 22.2 | Very low | 22 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | cis | -164 | 165.6 | -12.4 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 505 | K | 25.9 | Very low | 22 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | 81.6 | 111.3 | 166.9 | -55.7 | -177.3 | 179.3 | 178.8 | 0 | 120.1 | ||||
| 506 | N | 21.6 | Very low | 22 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -23.5 | 137.4 | 158.7 | -55.3 | -10.7 | 0 | 0 | 0 | 116 | ||||
| 507 | C | 19.9 | Very low | 22 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | 69.5 | 85.9 | 61.1 | -68.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 508 | E | 21 | Very low | 21.9 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | trans | -90.7 | 148.4 | 149.2 | -78.1 | -170.2 | 128.5 | 0 | 0 | 110.4 | ||||
| 509 | S | 20 | Very low | 21.9 | Very low | 107 Ų | 107 | 150.6 Ų | 150.6 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -135.3 | 116.2 | 179.5 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 510 | N | 27.9 | Very low | 21.7 | Very low | 152 Ų | 152 | 151.8 Ų | 151.8 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -146 | 101.2 | 172.1 | -94.6 | -40.1 | 0 | 0 | 0 | 113.4 | ||||
| 511 | R | 21.2 | Very low | 21.6 | Very low | 227 Ų | 227 | 153.5 Ų | 153.5 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | 31.3 | 119 | 135.7 | -81 | -177.2 | 174.3 | 178.7 | -1.3 | 121.8 | ||||
| 512 | T | 19 | Very low | 21.6 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | 51.2 | 128.2 | 126.4 | 62 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 513 | S | 21.1 | Very low | 21.5 | Very low | 103 Ų | 103 | 153.3 Ų | 153.3 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | 159.7 | 122.8 | 116.9 | -77.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 514 | E | 19.6 | Very low | 21.4 | Very low | 177 Ų | 177 | 149 Ų | 149 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | 36.8 | 109.3 | 139.5 | -61.6 | 174.1 | 170.7 | 0 | 0 | 119.8 | ||||
| 515 | I | 19.9 | Very low | 21.4 | Very low | 153 Ų | 153 | 153.8 Ų | 153.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | 56 | 123.3 | 85.9 | -57.6 | 176.8 | 0 | 0 | 0 | 115.1 | |||||
| 516 | S | 19.4 | Very low | 21.3 | Very low | 95 Ų | 95 | 149.5 Ų | 149.5 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | trans | 64.7 | 118 | 161.9 | 63.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 517 | N | 21.9 | Very low | 21.4 | Very low | 154 Ų | 154 | 151.2 Ų | 151.2 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | -160.1 | 139.3 | 99.7 | -101.7 | -46 | 0 | 0 | 0 | 114.2 | |||||
| 518 | L | 18.5 | Very low | 21.5 | Very low | 162 Ų | 162 | 152.7 Ų | 152.7 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -85.1 | 132.2 | 160.7 | -73 | 153.1 | 0 | 0 | 0 | 107.6 | ||||
| 519 | Q | 22.8 | Very low | 21.4 | Very low | 191 Ų | 191 | 153.5 Ų | 153.5 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -153.7 | 137.7 | 146.6 | -155.3 | 127.6 | -30 | 0 | 0 | 113.1 | ||||
| 520 | L | 18.7 | Very low | 21.4 | Very low | 164 Ų | 164 | 154.2 Ų | 154.2 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -84.5 | 145 | 170.5 | -69.9 | 149.5 | 0 | 0 | 0 | 110.1 | ||||
| 521 | N | 21.6 | Very low | 21.1 | Very low | 159 Ų | 159 | 153 Ų | 153 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -158.4 | 138 | 149.1 | -135.7 | -5.5 | 0 | 0 | 0 | 112.9 | ||||
| 522 | P | 23.7 | Very low | 21.1 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | -111.5 | 120.5 | 176.1 | 36 | -25.4 | 0 | 0 | 0 | 113.5 | ||||
| 523 | Q | 21.6 | Very low | 21.1 | Very low | 194 Ų | 194 | 147 Ų | 147 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | 175.4 | 149.4 | 164.1 | -97.9 | 153.1 | 39.8 | 0 | 0 | 105.8 | ||||
| 524 | S | 22.8 | Very low | 21.1 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | cis | -158.6 | 149.8 | 7.1 | 41.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 525 | F | 21.4 | Very low | 21.2 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | 46.4 | 116 | 152.3 | -78.7 | -90.9 | 0 | 0 | 0 | 124.5 | ||||
| 526 | S | 23.1 | Very low | 21.2 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | 74.9 | 139.3 | 141.9 | 83.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 527 | K | 24.1 | Very low | 21.3 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | S | Bend | cis | -129.4 | 133.8 | 13.4 | -69.5 | 169.3 | 179.3 | 166.7 | 0 | 112.6 | ||
| 528 | N | 21.8 | Very low | 21.1 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | 53.9 | 68.4 | 155.2 | -61.8 | -1.4 | 0 | 0 | 0 | 119.3 | S530 | N528-S530 PolarHBondContact O-N 2.89Š| ||
| 529 | R | 19.7 | Very low | 21.4 | Very low | 210 Ų | 210 | 153.1 Ų | 153.1 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -57.9 | 120.8 | 156.2 | -177.3 | -172.7 | -163.3 | -173.9 | 8.4 | 111.7 | I531 | R529-I531 HydrophobicContact CG-CB 4.01Å; R529-I531 HydrophobicContact CG-CD1 4.44Å; R529-I531 HydrophobicContact CG-CG1 4.2Å | ||
| 530 | S | 20.2 | Very low | 21.3 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -118.3 | 75.7 | 151.7 | 51.5 | 0 | 0 | 0 | 0 | 109.6 | N528 | N528-S530 PolarHBondContact O-N 2.89Š| ||
| 531 | I | 20.4 | Very low | 21.5 | Very low | 126 Ų | 126 | 151.8 Ų | 151.8 | 65% | 0.646 | 80% | 0.802 | S | S | * | * | trans | -124.7 | 108.3 | 172.6 | -60.9 | 173.1 | 0 | 0 | 0 | 107 | R529 | R529-I531 HydrophobicContact CG-CB 4.01Å; R529-I531 HydrophobicContact CG-CD1 4.44Å; R529-I531 HydrophobicContact CG-CG1 4.2Å | ||
| 532 | S | 21 | Very low | 21.9 | Very low | 107 Ų | 107 | 149 Ų | 149 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 171.5 | 99.5 | 149.9 | 169.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 533 | S | 20.7 | Very low | 21.9 | Very low | 115 Ų | 115 | 154.1 Ų | 154.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -167.8 | 94 | 138.5 | 52.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 534 | N | 21 | Very low | 21.9 | Very low | 151 Ų | 151 | 149.5 Ų | 149.5 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | 58.8 | 142.8 | 82.6 | -95.9 | -15.6 | 0 | 0 | 0 | 117.2 | |||||
| 535 | S | 21.1 | Very low | 21.9 | Very low | 110 Ų | 110 | 149.9 Ų | 149.9 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 67.9 | 102 | 164.6 | 51.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 536 | R | 19.9 | Very low | 21.9 | Very low | 237 Ų | 237 | 146.9 Ų | 146.9 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | 8.2 | 136 | 121.2 | -64 | 176 | 178 | 169.9 | 0.3 | 119 | |||||
| 537 | K | 20.9 | Very low | 22.1 | Very low | 205 Ų | 205 | 150.9 Ų | 150.9 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | 70 | 125.8 | 142.4 | -78.5 | -167.5 | 173.1 | -169.8 | 0 | 120.6 | ||||
| 538 | S | 18.8 | Very low | 22.2 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | 101.4 | 151.7 | 137.6 | -139.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 539 | L | 24 | Very low | 22.2 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -88.5 | 140.7 | -169.5 | -174.5 | 79.6 | 0 | 0 | 0 | 112 | ||||
| 540 | E | 20.8 | Very low | 22.2 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | 169.8 | 168.1 | 128.3 | -94.9 | -171.5 | 167.1 | 0 | 0 | 115.7 | |||||
| 541 | I | 22.7 | Very low | 22.2 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -157.1 | 156.1 | -154.1 | -61.5 | 160.5 | 0 | 0 | 0 | 108.5 | ||||
| 542 | P | 30.7 | Very low | 22.2 | Very low | 102 Ų | 102 | 154.5 Ų | 154.5 | 66% | 0.662 | 81% | 0.806 | S | S | * | * | cis | -126.8 | -174 | -19.6 | 35.3 | -16.7 | 0 | 0 | 0 | 113.7 | ||||
| 543 | K | 22.2 | Very low | 22.5 | Very low | 209 Ų | 209 | 154.7 Ų | 154.7 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | 169.3 | 172.1 | 127.5 | -91.7 | 168.3 | -171.9 | 174.9 | 0 | 114.6 | |||||
| 544 | A | 23.5 | Very low | 22.4 | Very low | 98 Ų | 98 | 155.1 Ų | 155.1 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -105.9 | 172.6 | -166 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 545 | S | 21.2 | Very low | 22.4 | Very low | 108 Ų | 108 | 157.1 Ų | 157.1 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | 114.4 | 124.2 | 144.4 | -150.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 546 | V | 22.2 | Very low | 22.3 | Very low | 135 Ų | 135 | 157.3 Ų | 157.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 71.4 | 137.3 | 148.9 | 170.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 547 | K | 28.2 | Very low | 22.3 | Very low | 189 Ų | 189 | 153.3 Ų | 153.3 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -60.3 | 151.3 | 176.1 | -59.1 | 172.6 | -179.8 | 176.4 | 0 | 110.8 | ||||
| 548 | P | 25.7 | Very low | 22.3 | Very low | 125 Ų | 125 | 151.4 Ų | 151.4 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | -154.7 | -174.6 | 62.6 | 42.6 | -20.5 | 0 | 0 | 0 | 119.1 | |||||
| 549 | I | 20.9 | Very low | 22.4 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | -40.4 | 145.9 | 171.1 | -74.6 | 166.4 | 0 | 0 | 0 | 117.5 | ||||
| 550 | R | 20.1 | Very low | 22.4 | Very low | 221 Ų | 221 | 147.8 Ų | 147.8 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 73 | 105.8 | 156.8 | -79.3 | 167.4 | -173.7 | -163.9 | 1.3 | 122 | ||||
| 551 | Q | 20.1 | Very low | 22.4 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | 59.6 | 110.8 | 124.1 | -66.9 | -175.1 | -8.9 | 0 | 0 | 123 | |||||
| 552 | R | 20.2 | Very low | 22.4 | Very low | 230 Ų | 230 | 148.1 Ų | 148.1 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | 70.4 | 163.8 | 143.3 | -58.1 | -178.6 | 173.6 | -176.3 | -1 | 117.3 | ||||
| 553 | P | 26.9 | Very low | 22.3 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | -139.6 | 173 | -60.8 | 42.7 | -26.8 | 0 | 0 | 0 | 115.4 | |||||
| 554 | V | 20.1 | Very low | 22.4 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 81.6 | 121.9 | 146.2 | 162.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 555 | K | 20.7 | Very low | 22.3 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 82 | 126.7 | 144.7 | -89 | 173.5 | -172.2 | -178.9 | 0 | 125.4 | ||||
| 556 | T | 19.7 | Very low | 23.3 | Very low | 114 Ų | 114 | 145 Ų | 145 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 105.1 | 102.7 | 134.1 | -55.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 557 | I | 19.5 | Very low | 23.3 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | 44.6 | 140.5 | 133.4 | -27.4 | 169.9 | 0 | 0 | 0 | 124.7 | ||||
| 558 | I | 20.6 | Very low | 23 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | 112.8 | 120.1 | 145.1 | -54.8 | -178.7 | 0 | 0 | 0 | 119.8 | ||||
| 559 | G | 21.1 | Very low | 22.8 | Very low | 58 Ų | 58 | 151.3 Ų | 151.3 | 60% | 0.598 | 78% | 0.78 | S | S | * | * | 107.8 | 134.1 | 124.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 560 | T | 23.4 | Very low | 22.9 | Very low | 134 Ų | 134 | 150.6 Ų | 150.6 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 62.8 | 152.1 | 146.3 | 60.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 561 | E | 21.5 | Very low | 23 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | cis | -160 | -171 | -15.3 | -120 | 177.8 | -154.2 | 0 | 0 | 114.7 | ||||
| 562 | L | 22.5 | Very low | 23.3 | Very low | 150 Ų | 150 | 147.3 Ų | 147.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -70.7 | 175.7 | -168.7 | -124.5 | 76.4 | 0 | 0 | 0 | 117.4 | ||||
| 563 | P | 29.2 | Very low | 23.3 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | -154.7 | 149.8 | 62.8 | 39.3 | -15.9 | 0 | 0 | 0 | 122.4 | |||||
| 564 | T | 23.3 | Very low | 23.2 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | trans | 56.9 | 132.8 | 146.1 | 57 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 565 | S | 22.3 | Very low | 23.1 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | cis | 97.4 | 154.9 | 17.1 | -167.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 566 | P | 42.2 | Very low | 23.3 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | cis | -140.2 | 168.5 | -32.8 | 34.8 | -16.8 | 0 | 0 | 0 | 117 | ||||
| 567 | R | 21.2 | Very low | 23.7 | Very low | 236 Ų | 236 | 144.9 Ų | 144.9 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -167.9 | 124.4 | 134 | -137.5 | -176.6 | 165.2 | 148 | -5.1 | 116 | ||||
| 568 | S | 22.8 | Very low | 23.9 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | 41.9 | 153.4 | 145.8 | 60.3 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 569 | R | 19.7 | Very low | 24 | Very low | 246 Ų | 246 | 149.3 Ų | 149.3 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | cis | 177.4 | 113.2 | -23.2 | -171.7 | -175.5 | -154.7 | 179.4 | 6.1 | 107.9 | ||||
| 570 | S | 24.3 | Very low | 24.1 | Very low | 130 Ų | 130 | 152 Ų | 152 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -159.6 | 145.2 | 161 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 571 | S | 21.7 | Very low | 24.1 | Very low | 112 Ų | 112 | 154.8 Ų | 154.8 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -120.5 | 143.8 | -167.6 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 572 | Q | 26.4 | Very low | 24.4 | Very low | 202 Ų | 202 | 152.1 Ų | 152.1 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | trans | -155.2 | 147.1 | 136.9 | -115.8 | 173.2 | 5.1 | 0 | 0 | 111.5 | ||||
| 573 | K | 20 | Very low | 24.4 | Very low | 201 Ų | 201 | 151.1 Ų | 151.1 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -96.8 | 141.4 | 177.2 | -67.7 | 172.7 | 174.4 | 176.3 | 0 | 109.3 | ||||
| 574 | S | 24.2 | Very low | 24.3 | Very low | 120 Ų | 120 | 155.4 Ų | 155.4 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -153.5 | 101.2 | 144.3 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 575 | N | 19.8 | Very low | 24.4 | Very low | 148 Ų | 148 | 155 Ų | 155 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -75.9 | 132.9 | 165 | -68.3 | -17.5 | 0 | 0 | 0 | 108.3 | ||||
| 576 | N | 24.9 | Very low | 24.6 | Very low | 155 Ų | 155 | 156.3 Ų | 156.3 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | -173.8 | 157.1 | 108.2 | -94.2 | -13.7 | 0 | 0 | 0 | 112.1 | |||||
| 577 | P | 27.8 | Very low | 24 | Very low | 96 Ų | 96 | 158 Ų | 158 | 62% | 0.623 | 81% | 0.812 | S | S | * | * | trans | -102.6 | 161.7 | -164.4 | 39.2 | -33.4 | 0 | 0 | 0 | 112.9 | ||||
| 578 | F | 22.9 | Very low | 24.3 | Very low | 194 Ų | 194 | 152.1 Ų | 152.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | -167.3 | 155.9 | 107.9 | -114.9 | -82.5 | 0 | 0 | 0 | 113 | |||||
| 579 | Y | 22.9 | Very low | 24.5 | Very low | 217 Ų | 217 | 155.5 Ų | 155.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -66.4 | 140.2 | 177.6 | -84.1 | -115.2 | 0 | 0 | 0 | 112.9 | ||||
| 580 | S | 23.5 | Very low | 24.8 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | -163 | 162.2 | 124.2 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 581 | K | 22.5 | Very low | 24.9 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -74.7 | 136.4 | -173.5 | -62.6 | 163.4 | -177.1 | 164.4 | 0 | 110.2 | N583 | K581-N583 PolarHBondContact O-N 2.93Å; K581-N583 VanDerWaalsContact O-N 3.11Å | ||
| 582 | P | 28.3 | Very low | 24.9 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -66 | 115.2 | 171 | 27.5 | -32.6 | 0 | 0 | 0 | 109.2 | K584 | P582-K584 PolarHBondContact O-N 3.16Š| ||
| 583 | N | 23.4 | Very low | 24.7 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -76.3 | 109.4 | -175.7 | -157.5 | 2.8 | 0 | 0 | 0 | 109.2 | K581 N585 | K581-N583 PolarHBondContact O-N 2.93Å; K581-N583 VanDerWaalsContact O-N 3.11Å; N583-N585 PolarHBondContact O-N 3.36Å | ||
| 584 | K | 26.9 | Very low | 25 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -68.9 | 79.4 | 165.3 | -74.1 | -172.5 | 174.7 | -169.2 | 0 | 108.3 | P582 | P582-K584 PolarHBondContact O-N 3.16Š|
| 585 | N | 25.2 | Very low | 24.8 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | trans | 176.5 | 76.3 | 161.8 | -90.9 | -15.9 | 0 | 0 | 0 | 110.3 | N583 | N583-N585 PolarHBondContact O-N 3.36Š| ||
| 586 | L | 26.9 | Very low | 24.9 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -147.5 | -18.3 | 161.9 | -108.7 | 138.2 | 0 | 0 | 0 | 113.8 | K588 | L586-K588 PolarHBondContact O-N 2.86Š|
| 587 | T | 28.3 | Very low | 24.9 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 93% | 0.926 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 12.9 | 161.2 | 38 | 0 | 0 | 0 | 0 | 114.2 | ||
| 588 | K | 29 | Very low | 24.6 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 50% | 0.496 | 76% | 0.756 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.8 | 5.3 | 169.5 | -143.8 | 170.9 | -169.5 | -90.1 | 0 | 113.8 | L586 E592 | L586-K588 PolarHBondContact O-N 2.86Å; K588-E592 IonicContact NZ-OE1 2.57Å; K588-E592 PolarHBondContact NZ-OE1 3.37Å |
| 589 | K | 26.7 | Very low | 24.7 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -96.5 | 11.3 | 174.3 | -100 | -167.5 | 172 | -167.5 | 0 | 114.6 | ||
| 590 | F | 24.4 | Very low | 24.6 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -109.3 | 2.9 | 168.1 | -136.6 | -91.5 | 0 | 0 | 0 | 112.9 | ||
| 591 | C | 26.5 | Very low | 24.6 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -134.9 | 15.8 | -178.2 | -58.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 592 | E | 23.3 | Very low | 24.4 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 54% | 0.542 | 75% | 0.754 | S | S | . | * | S | Bend | trans | -129.4 | 24.4 | 176.1 | -72.8 | -179.4 | 178.1 | 0 | 0 | 112.1 | K588 | K588-E592 IonicContact NZ-OE1 2.57Å; K588-E592 PolarHBondContact NZ-OE1 3.37Å |
| 593 | S | 21.4 | Very low | 24.2 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -107.1 | 2.8 | 172.7 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 594 | I | 25.9 | Very low | 24.1 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 86% | 0.862 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -133.1 | 62.3 | 169.6 | -46 | -179.4 | 0 | 0 | 0 | 109.3 | ||
| 595 | S | 20.2 | Very low | 23.8 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 56% | 0.559 | 75% | 0.753 | S | S | * | * | trans | -144.8 | 86.1 | 160.9 | 60.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 596 | N | 22.3 | Very low | 23.9 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 161.3 | 69.2 | 158.8 | -83.4 | -1.9 | 0 | 0 | 0 | 110.4 | ||||
| 597 | V | 25.6 | Very low | 23.9 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -135 | 82.7 | 147.2 | -176.7 | 0 | 0 | 0 | 0 | 106.2 | T599 | V597-T599 PolarHBondContact O-N 3.04Š| ||
| 598 | E | 20.4 | Very low | 23.8 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | -79.6 | 105.1 | 164.9 | -70.4 | -179.7 | 140.8 | 0 | 0 | 108.4 | ||||
| 599 | T | 25.4 | Very low | 23.7 | Very low | 121 Ų | 121 | 145 Ų | 145 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -139.3 | 123.7 | 153.7 | 41 | 0 | 0 | 0 | 0 | 109.4 | V597 I601 | V597-T599 PolarHBondContact O-N 3.04Å; T599-I601 PolarHBondContact O-N 3.36Å | ||
| 600 | N | 20.3 | Very low | 23.8 | Very low | 164 Ų | 164 | 141 Ų | 141 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -70.5 | 123 | -170.9 | -59.1 | -56 | 0 | 0 | 0 | 112.2 | ||||
| 601 | I | 23.5 | Very low | 24 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | trans | -136.5 | 114.3 | 149.7 | -58.7 | -177.4 | 0 | 0 | 0 | 106.7 | T599 I603 | T599-I601 PolarHBondContact O-N 3.36Å; I601-I603 PolarHBondContact O-N 3.05Å | ||
| 602 | E | 19.3 | Very low | 24 | Very low | 192 Ų | 192 | 143 Ų | 143 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | trans | -68.1 | 117 | 178.3 | -67.4 | 179.3 | 130 | 0 | 0 | 110.3 | ||||
| 603 | I | 23.4 | Very low | 24.3 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -113.9 | 119.2 | 166.3 | -59.8 | 179.1 | 0 | 0 | 0 | 106.4 | I601 F605 | I601-I603 PolarHBondContact O-N 3.05Å; I603-F605 PolarHBondContact O-N 3.5Å | ||
| 604 | P | 22.1 | Very low | 24.8 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 132.7 | -166.4 | 26.2 | -34.3 | 0 | 0 | 0 | 112.4 | ||
| 605 | F | 20.7 | Very low | 24.8 | Very low | 197 Ų | 197 | 145 Ų | 145 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 125.5 | 172.8 | -77.5 | -97 | 0 | 0 | 0 | 111.1 | I603 N607 | I603-F605 PolarHBondContact O-N 3.5Å; F605-N607 PolarHBondContact O-N 2.98Å |
| 606 | P | 26.9 | Very low | 25.2 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 126.7 | 166.1 | 28.9 | -31.6 | 0 | 0 | 0 | 109.3 | N608 | P606-N608 PolarHBondContact O-N 2.72Å; P606-N608 VanDerWaalsContact O-N 3.08Å |
| 607 | N | 26.9 | Very low | 25.5 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | -67 | 106 | 177.1 | -89.6 | -40 | 0 | 0 | 0 | 110.8 | F605 N609 | F605-N607 PolarHBondContact O-N 2.98Å; N607-N609 PolarHBondContact O-N 3.46Å | ||
| 608 | N | 26.6 | Very low | 25.6 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -65.9 | 92.6 | 167.5 | -77.8 | -5.4 | 0 | 0 | 0 | 110.3 | P606 | P606-N608 PolarHBondContact O-N 2.72Å; P606-N608 VanDerWaalsContact O-N 3.08Å | ||
| 609 | N | 26.8 | Very low | 25.9 | Very low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | trans | -143.9 | 60.2 | 170.4 | -94.6 | -38.3 | 0 | 0 | 0 | 109.8 | N607 | N607-N609 PolarHBondContact O-N 3.46Š| ||
| 610 | S | 28 | Very low | 26.3 | Very low | 88 Ų | 88 | 143.3 Ų | 143.3 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | trans | -139.6 | -15.2 | 177.1 | 54.4 | 0 | 0 | 0 | 0 | 116.2 | Y612 N613 | S610-Y612 PolarHBondContact O-N 3.22Å; S610-Y612 VanDerWaalsContact O-N 3.11Å; S610-N613 PolarHBondContact O-N 3.08Å | ||
| 611 | E | 27.7 | Very low | 27 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 62% | 0.621 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -11.3 | -175.4 | -76.4 | -175.7 | 133.6 | 0 | 0 | 115.4 | N613 | E611-N613 VanDerWaalsContact C-N 3.34Å; E611-N613 PolarHBondContact O-N 3.28Å |
| 612 | Y | 27.9 | Very low | 27.4 | Very low | 208 Ų | 208 | 135.4 Ų | 135.4 | 82% | 0.816 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -5.7 | 177.6 | -110.4 | -88 | 0 | 0 | 0 | 115.4 | S610 | S610-Y612 PolarHBondContact O-N 3.22Å; S610-Y612 VanDerWaalsContact O-N 3.11Å |
| 613 | N | 29.8 | Very low | 28.1 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 68% | 0.679 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -101.7 | -10.6 | -178.7 | -84.3 | -32.3 | 0 | 0 | 0 | 115 | S610 E611 | S610-N613 PolarHBondContact O-N 3.08Å; E611-N613 VanDerWaalsContact C-N 3.34Å; E611-N613 PolarHBondContact O-N 3.28Å |
| 614 | E | 30.5 | Very low | 28.7 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 67% | 0.668 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.2 | -28.2 | -179.9 | -66.9 | -158.8 | 145.7 | 0 | 0 | 113.5 | F616 Q617 | E614-F616 VanDerWaalsContact C-N 3.3Å; E614-F616 PolarHBondContact O-N 2.77Å; E614-Q617 PolarHBondContact O-N 2.9Å |
| 615 | Q | 26.4 | Very low | 29.3 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 72% | 0.72 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64 | -31.8 | 178.2 | -73.9 | -171.8 | -10.2 | 0 | 0 | 113.4 | ||
| 616 | F | 28.1 | Very low | 30.1 | Very low | 155 Ų | 155 | 118.1 Ų | 118.1 | 68% | 0.68 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81.1 | -17.8 | 179.1 | -86.8 | -75.1 | 0 | 0 | 0 | 114.6 | E614 | E614-F616 VanDerWaalsContact C-N 3.3Å; E614-F616 PolarHBondContact O-N 2.77Å |
| 617 | Q | 29.3 | Very low | 30.7 | Very low | 128 Ų | 128 | 115.8 Ų | 115.8 | 60% | 0.598 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.9 | -38.1 | 174.2 | -72 | -74.9 | -7.6 | 0 | 0 | 111.2 | E614 E619 K620 | E614-Q617 PolarHBondContact O-N 2.9Å; Q617-E619 PolarHBondContact O-N 3.31Å; Q617-K620 PolarHBondContact O-N 3.41Å |
| 618 | N | 27.5 | Very low | 31.6 | Very low | 105 Ų | 105 | 111.4 Ų | 111.4 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.7 | -31.3 | -176.1 | -75.2 | -24.4 | 0 | 0 | 0 | 113.9 | K620 S621 I622 | N618-K620 PolarHBondContact O-N 3.46Å; N618-S621 PolarHBondContact O-N 3.3Å; N618-I622 WeakPolarHBondContact O-CD1 3.38Å; N618-I622 WeakPolarHBondContact O-CG1 3.48Å; N618-I622 PolarHBondContact O-N 3.05Å |
| 619 | E | 27.8 | Very low | 32.5 | Very low | 139 Ų | 139 | 105.9 Ų | 105.9 | 65% | 0.65 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.5 | -34.3 | 175.7 | -69.6 | -165.5 | 152 | 0 | 0 | 113.2 | Q617 I622 | Q617-E619 PolarHBondContact O-N 3.31Å; E619-I622 PolarHBondContact O-N 3.3Å |
| 620 | K | 32.4 | Very low | 33.9 | Very low | 107 Ų | 107 | 100.5 Ų | 100.5 | 47% | 0.465 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 175.7 | -86.2 | -167 | 176.5 | -171.3 | 0 | 111.5 | Q617 N618 I622 S623 D1019 | Q617-K620 PolarHBondContact O-N 3.41Å; N618-K620 PolarHBondContact O-N 3.46Å; K620-I622 PolarHBondContact O-N 2.96Å; K620-S623 WeakPolarHBondContact O-CB 3.44Å; K620-S623 PolarHBondContact O-N 3.17Å; K620-S623 PolarHBondContact O-OG 3.39Å; K620-D1019 IonicContact NZ-OD1 3.32Å; K620-D1019 PolarHBondContact NZ-OD1 3.35Å; K620-D1019 IonicContact NZ-OD2 3.44Å; K620-D1019 PolarHBondContact NZ-OD2 2.74Å |
| 621 | S | 34.7 | Very low | 35.5 | Very low | 61 Ų | 61 | 97 Ų | 97 | 43% | 0.427 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.3 | -39.1 | 179.1 | -58.7 | 0 | 0 | 0 | 0 | 112 | N618 S623 R1011 | N618-S621 PolarHBondContact O-N 3.3Å; S621-S623 VanDerWaalsContact C-N 3.27Å; S621-S623 PolarHBondContact O-N 3.21Å; S621-R1011 PolarHBondContact O-NH1 3.47Å |
| 622 | I | 33.3 | Very low | 37.4 | Very low | 88 Ų | 88 | 93 Ų | 93 | 45% | 0.451 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -25.6 | -175.7 | -69.7 | 165.5 | 0 | 0 | 0 | 113.5 | N618 E619 K620 H624 S625 V626 | N618-I622 WeakPolarHBondContact O-CD1 3.38Å; N618-I622 WeakPolarHBondContact O-CG1 3.48Å; N618-I622 PolarHBondContact O-N 3.05Å; E619-I622 PolarHBondContact O-N 3.3Å; K620-I622 PolarHBondContact O-N 2.96Å; I622-H624 CarbonylContact O-C 3.53Å; I622-H624 PolarHBondContact O-N 2.86Å; I622-S625 WeakPolarHBondContact CA-OG 3.1Å; I622-S625 CarbonylContact O-C 3.57Å; I622-S625 PolarHBondContact O-N 3.31Å; I622-V626 HydrophobicContact CG2-CG2 3.79Å; I622-V626 WeakPolarHBondContact O-CG2 3.41Å; I622-V626 PolarHBondContact O-N 3.15Å |
| 623 | S | 32.6 | Very low | 39.5 | Very low | 71 Ų | 71 | 88.9 Ų | 88.9 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -54.6 | -19.4 | -175.9 | 59.8 | 0 | 0 | 0 | 0 | 117.3 | K620 S621 R1011 | K620-S623 WeakPolarHBondContact O-CB 3.44Å; K620-S623 PolarHBondContact O-N 3.17Å; K620-S623 PolarHBondContact O-OG 3.39Å; S621-S623 VanDerWaalsContact C-N 3.27Å; S621-S623 PolarHBondContact O-N 3.21Å; S623-R1011 PolarHBondContact OG-NH2 3.4Å |
| 624 | H | 36.8 | Very low | 41.6 | Very low | 87 Ų | 87 | 85 Ų | 85 | 40% | 0.403 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -116.4 | -22.3 | 166 | -90.6 | 19.7 | 0 | 0 | 0 | 112.9 | I622 V626 | I622-H624 CarbonylContact O-C 3.53Å; I622-H624 PolarHBondContact O-N 2.86Å; H624-V626 VanDerWaalsContact C-N 3.26Å; H624-V626 PolarHBondContact O-N 3.24Å |
| 625 | S | 34.4 | Very low | 43.4 | Very low | 44 Ų | 44 | 81 Ų | 81 | 31% | 0.308 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -78.9 | 0.4 | 175 | 74.5 | 0 | 0 | 0 | 0 | 115 | I622 N627 I628 G629 | I622-S625 WeakPolarHBondContact CA-OG 3.1Å; I622-S625 CarbonylContact O-C 3.57Å; I622-S625 PolarHBondContact O-N 3.31Å; S625-N627 VanDerWaalsContact C-N 3.3Å; S625-N627 PolarHBondContact O-N 3.16Å; S625-I628 PolarHBondContact O-N 3.43Å; S625-G629 PolarHBondContact O-N 2.81Å |
| 626 | V | 37.2 | Very low | 45.8 | Very low | 84 Ų | 84 | 83 Ų | 83 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -54.3 | -46.5 | 168.8 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | I622 H624 S630 | I622-V626 HydrophobicContact CG2-CG2 3.79Å; I622-V626 WeakPolarHBondContact O-CG2 3.41Å; I622-V626 PolarHBondContact O-N 3.15Å; H624-V626 VanDerWaalsContact C-N 3.26Å; H624-V626 PolarHBondContact O-N 3.24Å; V626-S630 VanDerWaalsContact O-CB 3.25Å; V626-S630 WeakPolarHBondContact O-CB 3.41Å; V626-S630 PolarHBondContact O-N 3.4Å; V626-S630 VanDerWaalsContact O-N 3.13Å; V626-S630 PolarHBondContact O-OG 3.13Å |
| 627 | N | 40.2 | Very low | 48.3 | Very low | 61 Ų | 61 | 79.4 Ų | 79.4 | 33% | 0.326 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.3 | -51.1 | 179.7 | -71.1 | -29.7 | 0 | 0 | 0 | 111.2 | S625 S630 F631 N699 | S625-N627 VanDerWaalsContact C-N 3.3Å; S625-N627 PolarHBondContact O-N 3.16Å; N627-S630 PolarHBondContact O-N 3.49Å; N627-S630 PolarHBondContact O-OG 2.66Å; N627-F631 PolarHBondContact O-N 3.47Å; N627-N699 VanDerWaalsContact CG-ND2 3.28Å; N627-N699 PolarHBondContact ND2-ND2 2.95Å; N627-N699 PolarHBondContact OD1-ND2 3.35Å |
| 628 | I | 45.4 | Very low | 50.7 | Low | 59 Ų | 59 | 78.8 Ų | 78.8 | 30% | 0.303 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -53.1 | -56.3 | 179.4 | -64.9 | 178.2 | 0 | 0 | 0 | 111.3 | S625 S630 F631 V632 F1206 | S625-I628 PolarHBondContact O-N 3.43Å; I628-S630 PolarHBondContact O-N 3.39Å; I628-F631 PolarHBondContact O-N 3.03Å; I628-V632 PolarHBondContact O-N 3.1Å; I628-F1206 HydrophobicContact CB-CD1 4.25Å; I628-F1206 HydrophobicContact CB-CE1 4.5Å; I628-F1206 HydrophobicContact CB-CG 4.37Å; I628-F1206 HydrophobicContact CD1-CD2 4.41Å; I628-F1206 HydrophobicContact CG1-CD2 4.29Å; I628-F1206 HydrophobicContact CG1-CG 4.29Å; I628-F1206 HydrophobicContact CG2-CD1 3.4Å; I628-F1206 VanDerWaalsContact CG2-CD1 3.4Å; I628-F1206 HydrophobicContact CG2-CD2 3.93Å; I628-F1206 HydrophobicContact CG2-CE1 3.25Å; I628-F1206 HydrophobicContact CG2-CE2 3.78Å; I628-F1206 HydrophobicContact CG2-CG 3.78Å; I628-F1206 HydrophobicContact CG2-CZ 3.46Å; I628-F1206 VanDerWaalsContact CG2-CZ 3.46Å |
| 629 | G | 46.5 | Very low | 53.2 | Low | 27 Ų | 27 | 78 Ų | 78 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.6 | -36 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S625 F631 L633 | S625-G629 PolarHBondContact O-N 2.81Å; G629-F631 PolarHBondContact O-N 3.34Å; G629-L633 VanDerWaalsContact O-CB 3.25Å; G629-L633 WeakPolarHBondContact O-CB 3.45Å; G629-L633 WeakPolarHBondContact O-CG 3.49Å; G629-L633 PolarHBondContact O-N 2.75Å |
| 630 | S | 55.1 | Low | 55.7 | Low | 41 Ų | 41 | 76.5 Ų | 76.5 | 29% | 0.287 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -26.4 | 176.7 | 79 | 0 | 0 | 0 | 0 | 113.3 | V626 N627 I628 R634 N700 | V626-S630 VanDerWaalsContact O-CB 3.25Å; V626-S630 WeakPolarHBondContact O-CB 3.41Å; V626-S630 PolarHBondContact O-N 3.4Å; V626-S630 VanDerWaalsContact O-N 3.13Å; V626-S630 PolarHBondContact O-OG 3.13Å; N627-S630 PolarHBondContact O-N 3.49Å; N627-S630 PolarHBondContact O-OG 2.66Å; I628-S630 PolarHBondContact O-N 3.39Å; S630-R634 WeakPolarHBondContact O-CB 3.21Å; S630-R634 PolarHBondContact O-N 3.21Å; S630-R634 PolarHBondContact O-NH2 3.08Å; S630-N700 PolarHBondContact OG-ND2 2.93Å |
| 631 | F | 62.7 | Low | 58.1 | Low | 15 Ų | 15 | 72 Ų | 72 | 7% | 0.066 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -83.4 | -47.9 | 177.3 | -178.1 | -111.1 | 0 | 0 | 0 | 112.2 | N627 I628 G629 L633 R634 R635 E1205 E1208 | N627-F631 PolarHBondContact O-N 3.47Å; I628-F631 PolarHBondContact O-N 3.03Å; G629-F631 PolarHBondContact O-N 3.34Å; F631-L633 VanDerWaalsContact C-N 3.28Å; F631-L633 PolarHBondContact O-N 3.26Å; F631-R634 CarbonylContact O-C 3.59Å; F631-R634 WeakPolarHBondContact O-CA 3.4Å; F631-R634 WeakPolarHBondContact O-CB 3.21Å; F631-R634 PolarHBondContact O-N 3.28Å; F631-R635 VanDerWaalsContact CE1-NH2 3.32Å; F631-R635 VanDerWaalsContact CZ-NH2 3.33Å; F631-R635 PolarHBondContact O-N 3.03Å; F631-E1205 WeakPolarHBondContact CD1-O 3.48Å; F631-E1205 WeakPolarHBondContact CE1-O 3.44Å; F631-E1208 HydrophobicContact CE1-CB 4.35Å; F631-E1208 HydrophobicContact CE2-CB 3.56Å; F631-E1208 HydrophobicContact CE2-CG 3.73Å; F631-E1208 WeakPolarHBondContact CE2-OE2 3.31Å; F631-E1208 HydrophobicContact CZ-CB 3.46Å; F631-E1208 VanDerWaalsContact CZ-CB 3.46Å; F631-E1208 HydrophobicContact CZ-CG 3.77Å |
| 632 | V | 66.1 | Low | 60.4 | Low | 48 Ų | 48 | 71 Ų | 71 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58 | -42.6 | 175.3 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | I628 R634 R636 E1205 F1206 | I628-V632 PolarHBondContact O-N 3.1Å; V632-R634 VanDerWaalsContact C-N 3.35Å; V632-R634 PolarHBondContact O-N 3.14Å; V632-R636 WeakPolarHBondContact O-CB 3.34Å; V632-R636 PolarHBondContact O-N 2.96Å; V632-E1205 HydrophobicContact CG2-CB 4.22Å; V632-F1206 HydrophobicContact CG2-CD1 3.81Å; V632-F1206 HydrophobicContact CG2-CE1 3.75Å |
| 633 | L | 72.1 | Confident | 62.9 | Low | 123 Ų | 123 | 70.4 Ų | 70.4 | 64% | 0.644 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.5 | -36 | 173.9 | -70.5 | 171.4 | 0 | 0 | 0 | 112.5 | G629 F631 A637 | G629-L633 VanDerWaalsContact O-CB 3.25Å; G629-L633 WeakPolarHBondContact O-CB 3.45Å; G629-L633 WeakPolarHBondContact O-CG 3.49Å; G629-L633 PolarHBondContact O-N 2.75Å; F631-L633 VanDerWaalsContact C-N 3.28Å; F631-L633 PolarHBondContact O-N 3.26Å; L633-A637 VanDerWaalsContact O-CB 3.29Å; L633-A637 WeakPolarHBondContact O-CB 3.38Å; L633-A637 PolarHBondContact O-N 3.39Å |
| 634 | R | 73.7 | Confident | 65.5 | Low | 44 Ų | 44 | 71.5 Ų | 71.5 | 17% | 0.166 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.4 | -49 | 175 | -170.5 | -173.9 | -43.6 | 124.5 | 53.7 | 112 | S630 F631 V632 R636 A637 K638 L641 N700 | S630-R634 WeakPolarHBondContact O-CB 3.21Å; S630-R634 PolarHBondContact O-N 3.21Å; S630-R634 PolarHBondContact O-NH2 3.08Å; F631-R634 CarbonylContact O-C 3.59Å; F631-R634 WeakPolarHBondContact O-CA 3.4Å; F631-R634 WeakPolarHBondContact O-CB 3.21Å; F631-R634 PolarHBondContact O-N 3.28Å; V632-R634 VanDerWaalsContact C-N 3.35Å; V632-R634 PolarHBondContact O-N 3.14Å; R634-R636 PolarHBondContact O-N 3.16Å; R634-A637 CarbonylContact O-C 3.57Å; R634-A637 WeakPolarHBondContact O-CA 3.08Å; R634-A637 PolarHBondContact O-N 3.46Å; R634-K638 PolarHBondContact O-N 2.89Å; R634-L641 HydrophobicContact CG-CD2 3.85Å; R634-N700 VanDerWaalsContact CZ-CB 3.49Å; R634-N700 PolarHBondContact NH1-OD1 3.05Å; R634-N700 PolarHBondContact NH2-ND2 3.15Å; R634-N700 VanDerWaalsContact NH2-ND2 3.14Å; R634-N700 PolarHBondContact NH2-OD1 3.04Å |
| 635 | R | 70 | Confident | 68 | Low | 60 Ų | 60 | 70.7 Ų | 70.7 | 23% | 0.226 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.3 | -36.8 | 177.4 | -171.4 | -174.2 | -82.3 | 135.8 | -6.8 | 110.5 | F631 K638 P639 E642 E1205 I1207 | F631-R635 VanDerWaalsContact CE1-NH2 3.32Å; F631-R635 VanDerWaalsContact CZ-NH2 3.33Å; F631-R635 PolarHBondContact O-N 3.03Å; R635-K638 CarbonylContact O-C 3.59Å; R635-P639 WeakPolarHBondContact O-CA 3.49Å; R635-E642 IonicContact CZ-OE1 3.74Å; R635-E642 VanDerWaalsContact CZ-OE1 3.23Å; R635-E642 IonicContact NE-OE1 3.73Å; R635-E642 PolarHBondContact NE-OE1 2.69Å; R635-E642 IonicContact NH2-OE1 3.06Å; R635-E642 PolarHBondContact NH2-OE1 3.15Å; R635-E1205 PolarHBondContact NH1-O 3.09Å; R635-I1207 PolarHBondContact NH2-O 3.46Å |
| 636 | R | 75.8 | Confident | 70.6 | Confident | 195 Ų | 195 | 70 Ų | 70 | 74% | 0.736 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.9 | -32 | 173.2 | -165.9 | 172.9 | -173.9 | 128.7 | 0.5 | 113.9 | V632 R634 | V632-R636 WeakPolarHBondContact O-CB 3.34Å; V632-R636 PolarHBondContact O-N 2.96Å; R634-R636 PolarHBondContact O-N 3.16Å |
| 637 | A | 80.3 | Confident | 73 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 66% | 0.661 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -82.2 | -23.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L633 R634 | L633-A637 VanDerWaalsContact O-CB 3.29Å; L633-A637 WeakPolarHBondContact O-CB 3.38Å; L633-A637 PolarHBondContact O-N 3.39Å; R634-A637 CarbonylContact O-C 3.57Å; R634-A637 WeakPolarHBondContact O-CA 3.08Å; R634-A637 PolarHBondContact O-N 3.46Å |
| 638 | K | 79.9 | Confident | 75.3 | Confident | 115 Ų | 115 | 67.9 Ų | 67.9 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | trans | -146.3 | 80.8 | -179.8 | -65.4 | -167.8 | 174 | -163.9 | 0 | 110 | R634 R635 E640 L641 | R634-K638 PolarHBondContact O-N 2.89Å; R635-K638 CarbonylContact O-C 3.59Å; K638-E640 VanDerWaalsContact C-N 3.3Å; K638-E640 PolarHBondContact O-N 3.01Å; K638-L641 HydrophobicContact CB-CB 3.97Å; K638-L641 HydrophobicContact CD-CD1 4.05Å; K638-L641 WeakPolarHBondContact O-CB 3.39Å; K638-L641 PolarHBondContact O-N 3.32Å | ||
| 639 | P | 79.7 | Confident | 77.4 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 58% | 0.584 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -66.2 | -32.2 | -179.2 | 24.9 | -33.6 | 0 | 0 | 0 | 112.8 | R635 L641 | R635-P639 WeakPolarHBondContact O-CA 3.49Å; P639-L641 VanDerWaalsContact C-N 3.25Å; P639-L641 PolarHBondContact O-N 3.11Å |
| 640 | E | 81.3 | Confident | 79.5 | Confident | 107 Ų | 107 | 64.1 Ų | 64.1 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -79.3 | 2.2 | 178.7 | -59.9 | -56.2 | 148.8 | 0 | 0 | 114.2 | K638 E642 N643 E644 | K638-E640 VanDerWaalsContact C-N 3.3Å; K638-E640 PolarHBondContact O-N 3.01Å; E640-E642 PolarHBondContact O-N 2.84Å; E640-N643 CarbonylContact O-C 3.53Å; E640-N643 WeakPolarHBondContact O-CA 3.41Å; E640-N643 WeakPolarHBondContact O-CB 3.48Å; E640-N643 PolarHBondContact O-N 3.01Å; E640-N643 PolarHBondContact OE2-ND2 3.44Å; E640-E644 PolarHBondContact O-N 3.27Å |
| 641 | L | 82.5 | Confident | 81.2 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -60.2 | -33.2 | -173.9 | -172.9 | 65.3 | 0 | 0 | 0 | 113.3 | R634 K638 P639 N643 E644 H646 | R634-L641 HydrophobicContact CG-CD2 3.85Å; K638-L641 HydrophobicContact CB-CB 3.97Å; K638-L641 HydrophobicContact CD-CD1 4.05Å; K638-L641 WeakPolarHBondContact O-CB 3.39Å; K638-L641 PolarHBondContact O-N 3.32Å; P639-L641 VanDerWaalsContact C-N 3.25Å; P639-L641 PolarHBondContact O-N 3.11Å; L641-N643 PolarHBondContact O-N 3.08Å; L641-E644 PolarHBondContact O-N 2.99Å; L641-H646 HydrophobicContact CD1-CB 3.91Å; L641-H646 PolarHBondContact O-CE1 2.98Å; L641-H646 PolarHBondContact O-ND1 3.22Å |
| 642 | E | 82.5 | Confident | 82.5 | Confident | 41 Ų | 41 | 66 Ų | 66 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -70.7 | -16.3 | 176.2 | -61.7 | -179.3 | -155.7 | 0 | 0 | 112.4 | R635 E640 I917 E1208 | R635-E642 IonicContact CZ-OE1 3.74Å; R635-E642 VanDerWaalsContact CZ-OE1 3.23Å; R635-E642 IonicContact NE-OE1 3.73Å; R635-E642 PolarHBondContact NE-OE1 2.69Å; R635-E642 IonicContact NH2-OE1 3.06Å; R635-E642 PolarHBondContact NH2-OE1 3.15Å; E640-E642 PolarHBondContact O-N 2.84Å; E642-I917 PolarHBondContact O-N 3.47Å; E642-E1208 HydrophobicContact CG-CG 4.08Å |
| 643 | N | 86.8 | Confident | 83.8 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -99.2 | -4.1 | 176.7 | -63.7 | -34.3 | 0 | 0 | 0 | 113.2 | E640 L641 P916 | E640-N643 CarbonylContact O-C 3.53Å; E640-N643 WeakPolarHBondContact O-CA 3.41Å; E640-N643 WeakPolarHBondContact O-CB 3.48Å; E640-N643 PolarHBondContact O-N 3.01Å; E640-N643 PolarHBondContact OE2-ND2 3.44Å; L641-N643 PolarHBondContact O-N 3.08Å; N643-P916 WeakPolarHBondContact O-CB 3.35Å; N643-P916 WeakPolarHBondContact O-CG 3.3Å |
| 644 | E | 86.4 | Confident | 84.8 | Confident | 93 Ų | 93 | 58.6 Ų | 58.6 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -112.8 | 143.8 | -177.8 | -71.6 | -179.4 | 175.1 | 0 | 0 | 111.5 | E640 L641 H646 | E640-E644 PolarHBondContact O-N 3.27Å; L641-E644 PolarHBondContact O-N 2.99Å; E644-H646 PolarHBondContact O-N 3.01Å; E644-H646 PolarHBondContact O-ND1 3.38Å |
| 645 | Q | 88.9 | Confident | 85.8 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | trans | -68.1 | 124.9 | 167.7 | -169.3 | -174.1 | 17.9 | 0 | 0 | 109.1 | I914 L915 | Q645-I914 VanDerWaalsContact CA-O 3.27Å; Q645-I914 WeakPolarHBondContact CA-O 3.46Å; Q645-I914 VanDerWaalsContact CG-O 3.28Å; Q645-I914 WeakPolarHBondContact CG-O 3.44Å; Q645-L915 HydrophobicContact CG-CD2 4.23Å | ||
| 646 | H | 89 | Confident | 86.9 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 13% | 0.13 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 169.8 | 178.8 | 70.5 | -83.8 | 0 | 0 | 0 | 112.1 | L641 E644 I914 E1208 | L641-H646 HydrophobicContact CD1-CB 3.91Å; L641-H646 PolarHBondContact O-CE1 2.98Å; L641-H646 PolarHBondContact O-ND1 3.22Å; E644-H646 PolarHBondContact O-N 3.01Å; E644-H646 PolarHBondContact O-ND1 3.38Å; H646-I914 PolarHBondContact N-O 3.13Å; H646-I914 WeakPolarHBondContact NE2-CD1 3.41Å; H646-I914 PolarHBondContact O-N 3.35Å; H646-E1208 IonicContact CE1-OE1 2.74Å; H646-E1208 IonicContact NE2-OE1 3.09Å |
| 647 | K | 87.9 | Confident | 87.7 | Confident | 92 Ų | 92 | 47.5 Ų | 47.5 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.5 | 173 | -57.3 | -159.8 | 169 | -117.7 | 0 | 109.3 | D741 T911 V912 D913 | K647-D741 IonicContact NZ-OD2 3.13Å; K647-T911 HydrophobicContact CB-CG2 4.31Å; K647-T911 HydrophobicContact CD-CG2 3.92Å; K647-V912 WeakPolarHBondContact CA-O 3.26Å; K647-D913 WeakPolarHBondContact CD-OD1 3.46Å; K647-D913 WeakPolarHBondContact CE-OD1 3.46Å; K647-D913 WeakPolarHBondContact CG-OD1 3.27Å; K647-D913 VanDerWaalsContact NZ-CG 3.29Å; K647-D913 IonicContact NZ-OD1 3.91Å; K647-D913 PolarHBondContact NZ-OD1 3.12Å; K647-D913 IonicContact NZ-OD2 3.67Å; K647-D913 PolarHBondContact NZ-OD2 3.46Å; K647-D913 VanDerWaalsContact NZ-OD2 3.13Å |
| 648 | D | 88.9 | Confident | 88.4 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 139.1 | 160.8 | -177.1 | 40.1 | 0 | 0 | 0 | 110 | N700 T911 V912 I914 Y1211 | D648-N700 WeakPolarHBondContact OD1-CA 3.43Å; D648-N700 PolarHBondContact OD1-OD1 2.87Å; D648-T911 CarbonylContact O-C 3.49Å; D648-T911 WeakPolarHBondContact O-CA 3.21Å; D648-V912 PolarHBondContact N-O 3.46Å; D648-V912 PolarHBondContact O-N 3.33Å; D648-I914 HydrophobicContact CB-CD1 3.8Å; D648-Y1211 HydrophobicContact CB-CD2 4.14Å; D648-Y1211 HydrophobicContact CB-CE2 4.34Å; D648-Y1211 VanDerWaalsContact OD2-CE2 3.23Å; D648-Y1211 WeakPolarHBondContact OD2-CE2 3.46Å |
| 649 | V | 89.9 | Confident | 89.1 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.1 | -175.8 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | N700 L701 I704 Y909 T911 | V649-N700 PolarHBondContact O-N 3.06Å; V649-L701 HydrophobicContact CB-CB 4.18Å; V649-L701 HydrophobicContact CG1-CB 4.12Å; V649-L701 PolarHBondContact O-N 2.77Å; V649-I704 HydrophobicContact CG1-CG1 4.44Å; V649-Y909 HydrophobicContact CG1-CE2 3.54Å; V649-T911 HydrophobicContact CG2-CG2 4.35Å |
| 650 | S | 89.7 | Confident | 89.7 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.3 | -178.9 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | N699 Y909 Q910 | S650-N699 WeakPolarHBondContact CB-OD1 3Å; S650-Y909 WeakPolarHBondContact O-CA 3.36Å; S650-Q910 PolarHBondContact N-O 2.97Å; S650-Q910 PolarHBondContact O-N 2.89Å; S650-Q910 PolarHBondContact OG-O 3.46Å |
| 651 | L | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 106.2 | -177.1 | 178.5 | 58.5 | 0 | 0 | 0 | 109.9 | I653 L673 L698 L701 I704 M707 L739 I907 H908 Y909 | L651-I653 HydrophobicContact CD1-CD1 4.42Å; L651-I653 HydrophobicContact CD1-CG1 4.02Å; L651-I653 HydrophobicContact CD2-CD1 3.94Å; L651-I653 HydrophobicContact CD2-CG1 4.43Å; L651-I653 HydrophobicContact CG-CD1 3.87Å; L651-I653 HydrophobicContact CG-CG1 3.84Å; L651-L673 HydrophobicContact CD2-CD1 4.02Å; L651-L673 HydrophobicContact CD2-CD2 3.46Å; L651-L673 VanDerWaalsContact CD2-CD2 3.46Å; L651-L673 HydrophobicContact CD2-CG 4.41Å; L651-L698 HydrophobicContact CB-CB 4.44Å; L651-L698 PolarHBondContact N-O 2.85Å; L651-L698 WeakPolarHBondContact O-CB 3.31Å; L651-L698 PolarHBondContact O-N 3.41Å; L651-L701 HydrophobicContact CB-CD1 3.59Å; L651-L701 HydrophobicContact CD2-CD1 4.37Å; L651-I704 HydrophobicContact CD2-CD1 3.98Å; L651-M707 HydrophobicContact CD2-SD 4.09Å; L651-L739 HydrophobicContact CD2-CD1 4.05Å; L651-I907 HydrophobicContact CD1-CG2 3.74Å; L651-H908 WeakPolarHBondContact CA-O 3.47Å; L651-Y909 HydrophobicContact CB-CD2 4.4Å; L651-Y909 HydrophobicContact CD1-CD2 4.24Å |
| 652 | R | 90.6 | Very high | 90.3 | Very high | 97 Ų | 97 | 38 Ų | 38 | 37% | 0.366 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.4 | 173.7 | -58.6 | -174.7 | -70.7 | -155.6 | -5.2 | 109.7 | F696 D697 I907 H908 | R652-F696 WeakPolarHBondContact CA-O 3.4Å; R652-D697 WeakPolarHBondContact CB-OD1 3.21Å; R652-D697 HydrophobicContact CG-CB 4.21Å; R652-D697 VanDerWaalsContact CG-OD1 3.25Å; R652-D697 WeakPolarHBondContact CG-OD1 3.3Å; R652-I907 CarbonylContact O-C 3.52Å; R652-I907 WeakPolarHBondContact O-CA 3.46Å; R652-H908 HydrophobicContact CB-CB 4.34Å; R652-H908 PolarHBondContact N-O 2.81Å; R652-H908 PolarHBondContact NH2-CE1 3.18Å; R652-H908 VanDerWaalsContact NH2-CE1 3.29Å; R652-H908 PolarHBondContact NH2-ND1 3.03Å; R652-H908 PolarHBondContact O-N 2.99Å |
| 653 | I | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.4 | -174.2 | -53 | 161.2 | 0 | 0 | 0 | 109.1 | L651 I655 I671 Q695 F696 L698 M707 M906 | L651-I653 HydrophobicContact CD1-CD1 4.42Å; L651-I653 HydrophobicContact CD1-CG1 4.02Å; L651-I653 HydrophobicContact CD2-CD1 3.94Å; L651-I653 HydrophobicContact CD2-CG1 4.43Å; L651-I653 HydrophobicContact CG-CD1 3.87Å; L651-I653 HydrophobicContact CG-CG1 3.84Å; I653-I655 HydrophobicContact CG2-CD1 3.72Å; I653-I655 HydrophobicContact CG2-CG1 4.23Å; I653-I671 HydrophobicContact CD1-CD1 4.17Å; I653-I671 HydrophobicContact CD1-CG2 3.64Å; I653-I671 HydrophobicContact CG2-CD1 4.22Å; I653-Q695 CarbonylContact O-C 3.59Å; I653-Q695 WeakPolarHBondContact O-CA 3.42Å; I653-F696 PolarHBondContact N-O 3.35Å; I653-F696 PolarHBondContact O-N 3.06Å; I653-L698 HydrophobicContact CD1-CD1 4.3Å; I653-M707 HydrophobicContact CD1-SD 3.42Å; I653-M707 WeakPolarHBondContact CD1-SD 3.28Å; I653-M707 HydrophobicContact CG1-SD 4.05Å; I653-M906 CarbonylContact C-O 3.54Å; I653-M906 WeakPolarHBondContact CA-O 3.37Å |
| 654 | S | 92.5 | Very high | 89.9 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113.4 | 167.8 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | Q656 E694 M905 M906 | S654-Q656 PolarHBondContact O-N 3.31Å; S654-E694 CarbonylContact C-O 3.57Å; S654-E694 WeakPolarHBondContact CA-O 3.38Å; S654-M905 CarbonylContact O-C 3.55Å; S654-M905 WeakPolarHBondContact O-CA 3.32Å; S654-M905 VanDerWaalsContact O-CB 3.31Å; S654-M905 WeakPolarHBondContact O-CB 3.43Å; S654-M906 PolarHBondContact N-O 3.27Å; S654-M906 PolarHBondContact O-N 2.88Å |
| 655 | I | 94.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 103.6 | 173.8 | -55.7 | -60.1 | 0 | 0 | 0 | 108.2 | I653 C669 I671 T681 W692 G693 E694 F696 I709 L903 M905 | I653-I655 HydrophobicContact CG2-CD1 3.72Å; I653-I655 HydrophobicContact CG2-CG1 4.23Å; I655-C669 HydrophobicContact CG2-CB 4.47Å; I655-I671 HydrophobicContact CD1-CD1 4.27Å; I655-I671 HydrophobicContact CG1-CD1 4Å; I655-T681 HydrophobicContact CB-CG2 3.98Å; I655-T681 HydrophobicContact CG1-CG2 4.1Å; I655-T681 HydrophobicContact CG2-CG2 3.92Å; I655-W692 HydrophobicContact CG2-CD2 4.39Å; I655-W692 HydrophobicContact CG2-CE3 3.83Å; I655-W692 HydrophobicContact CG2-CZ3 4.35Å; I655-W692 WeakPolarHBondContact O-CB 3.25Å; I655-G693 PolarHBondContact O-N 3.2Å; I655-E694 PolarHBondContact N-O 3.07Å; I655-E694 PolarHBondContact O-N 2.7Å; I655-E694 VanDerWaalsContact O-N 3.11Å; I655-F696 HydrophobicContact CB-CE2 4.46Å; I655-F696 HydrophobicContact CG1-CD2 4.29Å; I655-F696 HydrophobicContact CG1-CE2 3.94Å; I655-I709 HydrophobicContact CD1-CD1 3.85Å; I655-I709 HydrophobicContact CD1-CG2 4.43Å; I655-L903 HydrophobicContact CG2-CD1 4.18Å; I655-M905 HydrophobicContact CD1-CB 4.21Å |
| 656 | Q | 92.6 | Very high | 90.1 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -69.7 | -170.2 | -63.5 | -172.8 | -19.7 | 0 | 0 | 112 | S654 F691 W692 G693 R904 M906 | S654-Q656 PolarHBondContact O-N 3.31Å; Q656-F691 CarbonylContact O-C 3.21Å; Q656-F691 WeakPolarHBondContact O-CA 3.32Å; Q656-W692 PolarHBondContact O-N 3.46Å; Q656-G693 PolarHBondContact O-N 3.32Å; Q656-G693 VanDerWaalsContact O-N 3.13Å; Q656-R904 HydrophobicContact CB-CB 4.45Å; Q656-R904 WeakPolarHBondContact CB-O 3.41Å; Q656-R904 PolarHBondContact N-O 3.28Å; Q656-M906 VanDerWaalsContact NE2-CG 3.3Å; Q656-M906 PolarHBondContact NE2-SD 3.41Å |
| 657 | E | 93.9 | Very high | 90.4 | Very high | 45 Ų | 45 | 41.3 Ų | 41.3 | 21% | 0.21 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 156.2 | -176.5 | 69 | -173.1 | -144.9 | 0 | 0 | 113.2 | V690 F691 W751 L903 R904 | E657-V690 CarbonylContact C-O 3.47Å; E657-V690 WeakPolarHBondContact CA-O 3.44Å; E657-V690 VanDerWaalsContact CB-O 3.3Å; E657-V690 WeakPolarHBondContact CB-O 3.43Å; E657-F691 HydrophobicContact CB-CB 4.21Å; E657-F691 HydrophobicContact CB-CD2 3.93Å; E657-F691 HydrophobicContact CB-CG 4.48Å; E657-W751 HydrophobicContact CG-CH2 3.64Å; E657-W751 HydrophobicContact CG-CZ2 4.23Å; E657-W751 HydrophobicContact CG-CZ3 4.29Å; E657-W751 WeakPolarHBondContact OE1-CH2 3.39Å; E657-W751 VanDerWaalsContact OE1-CZ2 3.23Å; E657-W751 WeakPolarHBondContact OE1-CZ2 3.05Å; E657-L903 CarbonylContact O-C 3.59Å; E657-R904 HydrophobicContact CG-CB 4.09Å; E657-R904 PolarHBondContact N-O 3.32Å; E657-R904 PolarHBondContact O-N 3.32Å; E657-R904 IonicContact OE1-CZ 2.83Å; E657-R904 IonicContact OE1-NH1 2.71Å; E657-R904 PolarHBondContact OE1-NH1 2.72Å; E657-R904 IonicContact OE1-NH2 3.23Å; E657-R904 IonicContact OE2-CZ 3.87Å; E657-R904 VanDerWaalsContact OE2-CZ 3.23Å; E657-R904 IonicContact OE2-NH1 3.54Å; E657-R904 PolarHBondContact OE2-NH1 3.4Å; E657-R904 VanDerWaalsContact OE2-NH1 3.09Å; E657-R904 IonicContact OE2-NH2 2.81Å; E657-R904 PolarHBondContact OE2-NH2 3.25Å |
| 658 | V | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 147.4 | 170.9 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | L661 T689 V690 W692 L711 P901 Q902 L903 | V658-L661 HydrophobicContact CB-CD1 4.49Å; V658-L661 HydrophobicContact CG1-CD1 3.41Å; V658-L661 VanDerWaalsContact CG1-CD1 3.41Å; V658-L661 HydrophobicContact CG1-CG 4.01Å; V658-L661 HydrophobicContact CG2-CD1 4.28Å; V658-L661 HydrophobicContact CG2-CD2 3.94Å; V658-L661 HydrophobicContact CG2-CG 4.08Å; V658-T689 CarbonylContact O-C 3.52Å; V658-T689 VanDerWaalsContact O-CA 3.3Å; V658-T689 WeakPolarHBondContact O-CA 3.46Å; V658-V690 HydrophobicContact CG1-CB 3.83Å; V658-V690 HydrophobicContact CG1-CG2 4.49Å; V658-V690 PolarHBondContact N-O 2.75Å; V658-V690 PolarHBondContact O-N 3.01Å; V658-W692 HydrophobicContact CB-CH2 4.23Å; V658-W692 HydrophobicContact CB-CZ3 3.85Å; V658-W692 HydrophobicContact CG1-CH2 3.4Å; V658-W692 HydrophobicContact CG1-CZ3 3.39Å; V658-L711 HydrophobicContact CG2-CD2 4.25Å; V658-P901 HydrophobicContact CG2-CB 4.35Å; V658-Q902 CarbonylContact C-O 3.44Å; V658-Q902 VanDerWaalsContact CA-O 3.25Å; V658-Q902 WeakPolarHBondContact CA-O 3.22Å; V658-Q902 WeakPolarHBondContact CG2-O 3.4Å; V658-L903 HydrophobicContact CB-CD1 3.92Å |
| 659 | K | 94.2 | Very high | 91.2 | Very high | 56 Ų | 56 | 36.5 Ų | 36.5 | 24% | 0.243 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 172.5 | 175.7 | 69 | -174.9 | 173.9 | -172.8 | 0 | 111.2 | L661 T689 W751 P901 Q902 | K659-L661 VanDerWaalsContact C-N 3.32Å; K659-T689 HydrophobicContact CB-CG2 3.63Å; K659-W751 HydrophobicContact CB-CH2 4.46Å; K659-W751 HydrophobicContact CB-CZ3 4.42Å; K659-W751 HydrophobicContact CD-CE3 4.32Å; K659-W751 HydrophobicContact CD-CH2 3.64Å; K659-W751 HydrophobicContact CD-CZ2 4.31Å; K659-W751 HydrophobicContact CD-CZ3 3.66Å; K659-W751 HydrophobicContact CG-CH2 4.06Å; K659-W751 HydrophobicContact CG-CZ3 3.74Å; K659-P901 WeakPolarHBondContact O-CA 3.26Å; K659-Q902 HydrophobicContact CG-CB 4.04Å; K659-Q902 PolarHBondContact N-O 3.06Å; K659-Q902 PolarHBondContact O-N 3.45Å; K659-Q902 VanDerWaalsContact O-N 3.12Å |
| 660 | N | 92.2 | Very high | 91.5 | Very high | 69 Ų | 69 | 37.6 Ų | 37.6 | 37% | 0.369 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 63.5 | 35.2 | -173.9 | -56.1 | -15.1 | 0 | 0 | 0 | 112.6 | G688 N898 L900 | N660-G688 PolarHBondContact N-O 3.17Å; N660-N898 PolarHBondContact ND2-O 3.5Å; N660-L900 WeakPolarHBondContact CB-O 3.22Å; N660-L900 PolarHBondContact ND2-O 2.83Å |
| 661 | L | 89.8 | Confident | 91.9 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 10% | 0.099 | 19% | 0.187 | C | C | . | . | trans | -91.5 | 165.1 | 172.9 | -62.7 | -167.4 | 0 | 0 | 0 | 111.9 | V658 K659 Y667 G688 V690 L711 P901 | V658-L661 HydrophobicContact CB-CD1 4.49Å; V658-L661 HydrophobicContact CG1-CD1 3.41Å; V658-L661 VanDerWaalsContact CG1-CD1 3.41Å; V658-L661 HydrophobicContact CG1-CG 4.01Å; V658-L661 HydrophobicContact CG2-CD1 4.28Å; V658-L661 HydrophobicContact CG2-CD2 3.94Å; V658-L661 HydrophobicContact CG2-CG 4.08Å; K659-L661 VanDerWaalsContact C-N 3.32Å; L661-Y667 HydrophobicContact CB-CE1 4.48Å; L661-Y667 HydrophobicContact CB-CE2 4.42Å; L661-Y667 HydrophobicContact CD1-CD1 3.69Å; L661-Y667 HydrophobicContact CD1-CD2 3.9Å; L661-Y667 HydrophobicContact CD1-CE1 3.86Å; L661-Y667 HydrophobicContact CD1-CE2 4.1Å; L661-Y667 HydrophobicContact CD1-CG 3.68Å; L661-Y667 HydrophobicContact CD2-CE1 4.17Å; L661-Y667 HydrophobicContact CG-CE1 4.41Å; L661-G688 PolarHBondContact N-O 2.82Å; L661-G688 VanDerWaalsContact N-O 3.1Å; L661-G688 WeakPolarHBondContact O-CA 3.32Å; L661-V690 HydrophobicContact CD1-CG2 3.99Å; L661-L711 HydrophobicContact CD2-CD2 3.69Å; L661-P901 HydrophobicContact CD2-CB 3.93Å; L661-P901 HydrophobicContact CD2-CG 4.07Å | ||
| 662 | S | 86.6 | Confident | 92.1 | Very high | 58 Ų | 58 | 37.8 Ų | 37.8 | 41% | 0.406 | 19% | 0.19 | S | C | . | . | trans | -76.3 | 140.7 | 166 | 86.9 | 0 | 0 | 0 | 0 | 109.7 | K664 Y667 S686 | S662-K664 PolarHBondContact O-N 3.22Å; S662-Y667 PolarHBondContact N-OH 2.97Å; S662-Y667 PolarHBondContact O-OH 3.12Å; S662-Y667 PolarHBondContact OG-OH 2.89Å; S662-S686 WeakPolarHBondContact O-CB 3.23Å; S662-S686 PolarHBondContact O-OG 3.42Å | ||
| 663 | A | 80.7 | Confident | 92.3 | Very high | 66 Ų | 66 | 33.3 Ų | 33.3 | 55% | 0.545 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -76.1 | 16.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S686 | A663-S686 CarbonylContact C-O 3.49Å; A663-S686 VanDerWaalsContact CA-O 3.32Å; A663-S686 WeakPolarHBondContact CA-O 3.21Å |
| 664 | K | 80 | Confident | 92.3 | Very high | 170 Ų | 170 | 36.2 Ų | 36.2 | 74% | 0.739 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -117.7 | 82.8 | -176.6 | -69.8 | -170.2 | 178 | -175 | 0 | 110.9 | S662 R713 | S662-K664 PolarHBondContact O-N 3.22Å; K664-R713 VanDerWaalsContact O-CZ 3.23Å; K664-R713 PolarHBondContact O-NE 3.39Å; K664-R713 PolarHBondContact O-NH2 3.32Å |
| 665 | G | 86.9 | Confident | 92.1 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 13% | 0.134 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 136.2 | -180 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S686 | G665-S686 PolarHBondContact O-N 3.42Å; G665-S686 VanDerWaalsContact O-N 3.09Å |
| 666 | R | 92.4 | Very high | 92.1 | Very high | 126 Ų | 126 | 49.8 Ų | 49.8 | 48% | 0.475 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 149 | 171.5 | -73.1 | -178.5 | 136.6 | 110 | 0.1 | 110.8 | S683 K684 L685 R713 Q714 | R666-S683 WeakPolarHBondContact CD-O 3.45Å; R666-S683 PolarHBondContact NE-O 3.09Å; R666-K684 CarbonylContact C-O 3.51Å; R666-K684 WeakPolarHBondContact CA-O 3.48Å; R666-L685 HydrophobicContact CG-CD2 3.55Å; R666-L685 HydrophobicContact CG-CG 3.79Å; R666-R713 CarbonylContact O-C 3.59Å; R666-R713 WeakPolarHBondContact O-CA 3.24Å; R666-Q714 HydrophobicContact CB-CB 3.9Å; R666-Q714 PolarHBondContact O-N 3.42Å |
| 667 | Y | 95.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 150.8 | 179.6 | -66.4 | -102.4 | 0 | 0 | 0 | 111 | L661 S662 S683 K684 S686 V690 L711 F712 R713 I732 | L661-Y667 HydrophobicContact CB-CE1 4.48Å; L661-Y667 HydrophobicContact CB-CE2 4.42Å; L661-Y667 HydrophobicContact CD1-CD1 3.69Å; L661-Y667 HydrophobicContact CD1-CD2 3.9Å; L661-Y667 HydrophobicContact CD1-CE1 3.86Å; L661-Y667 HydrophobicContact CD1-CE2 4.1Å; L661-Y667 HydrophobicContact CD1-CG 3.68Å; L661-Y667 HydrophobicContact CD2-CE1 4.17Å; L661-Y667 HydrophobicContact CG-CE1 4.41Å; S662-Y667 PolarHBondContact N-OH 2.97Å; S662-Y667 PolarHBondContact O-OH 3.12Å; S662-Y667 PolarHBondContact OG-OH 2.89Å; Y667-S683 WeakPolarHBondContact O-CA 3.36Å; Y667-K684 PolarHBondContact N-O 2.95Å; Y667-K684 PolarHBondContact O-N 2.84Å; Y667-S686 VanDerWaalsContact CE2-CB 3.42Å; Y667-V690 HydrophobicContact CD2-CG2 4.44Å; Y667-L711 HydrophobicContact CD1-CD1 4.24Å; Y667-L711 HydrophobicContact CD1-CG 4.42Å; Y667-F712 WeakPolarHBondContact CA-O 3.34Å; Y667-R713 HydrophobicContact CD1-CB 3.86Å; Y667-R713 HydrophobicContact CD1-CG 4.4Å; Y667-R713 HydrophobicContact CE1-CB 3.69Å; Y667-R713 HydrophobicContact CE1-CG 4.04Å; Y667-R713 HydrophobicContact CE2-CG 4.38Å; Y667-I732 HydrophobicContact CD1-CG1 4.34Å; Y667-I732 HydrophobicContact CE1-CD1 4.31Å; Y667-I732 HydrophobicContact CE1-CG1 4Å |
| 668 | F | 96.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 158.6 | 173.1 | 64.7 | -92.5 | 0 | 0 | 0 | 110.4 | E670 R680 T681 S683 F712 Q714 N729 | F668-E670 HydrophobicContact CD2-CG 4.27Å; F668-E670 HydrophobicContact CE2-CG 3.95Å; F668-R680 HydrophobicContact CD2-CG 3.58Å; F668-R680 HydrophobicContact CE2-CG 4.1Å; F668-R680 HydrophobicContact CG-CG 4.39Å; F668-T681 WeakPolarHBondContact CA-OG1 3.48Å; F668-S683 WeakPolarHBondContact CD1-OG 3.15Å; F668-F712 HydrophobicContact CD1-CB 4.19Å; F668-F712 HydrophobicContact CD2-CB 4.1Å; F668-F712 HydrophobicContact CD2-CD2 4.3Å; F668-F712 HydrophobicContact CE1-CB 3.66Å; F668-F712 HydrophobicContact CE2-CB 3.57Å; F668-F712 AromaticContact CE2-CD2 3.6Å; F668-F712 HydrophobicContact CE2-CD2 3.6Å; F668-F712 AromaticContact CE2-CG 3.79Å; F668-F712 HydrophobicContact CE2-CG 3.79Å; F668-F712 HydrophobicContact CG-CB 4.39Å; F668-F712 HydrophobicContact CZ-CB 3.32Å; F668-F712 HydrophobicContact CZ-CD2 4.05Å; F668-F712 AromaticContact CZ-CG 3.76Å; F668-F712 HydrophobicContact CZ-CG 3.76Å; F668-F712 PolarHBondContact N-O 3.01Å; F668-F712 PolarHBondContact O-N 3.27Å; F668-Q714 VanDerWaalsContact CD1-OE1 3.32Å; F668-N729 HydrophobicContact CE1-CB 4.19Å; F668-N729 HydrophobicContact CZ-CB 4.04Å; F668-N729 WeakPolarHBondContact CZ-ND2 3.47Å |
| 669 | C | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 145.1 | 173.4 | -67.9 | 0 | 0 | 0 | 0 | 110.6 | I655 R680 T681 I709 N710 | I655-C669 HydrophobicContact CG2-CB 4.47Å; C669-R680 CarbonylContact O-C 3.48Å; C669-R680 VanDerWaalsContact O-CA 3.28Å; C669-R680 WeakPolarHBondContact O-CA 3.5Å; C669-R680 WeakPolarHBondContact O-CG 3.25Å; C669-T681 HydrophobicContact CB-CG2 3.92Å; C669-T681 PolarHBondContact N-OG1 3.1Å; C669-T681 PolarHBondContact O-N 3.47Å; C669-I709 HydrophobicContact CB-CG2 4.05Å; C669-N710 CarbonylContact C-O 3.54Å; C669-N710 VanDerWaalsContact CA-O 3.26Å; C669-N710 WeakPolarHBondContact CA-O 3.5Å |
| 670 | E | 97 | Very high | 92.2 | Very high | 25 Ų | 25 | 59.5 Ų | 59.5 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.1 | 167.6 | -78.3 | 179.3 | 179.5 | 0 | 0 | 109.5 | F668 L677 R680 I709 N710 F712 | F668-E670 HydrophobicContact CD2-CG 4.27Å; F668-E670 HydrophobicContact CE2-CG 3.95Å; E670-L677 HydrophobicContact CB-CD1 3.65Å; E670-L677 HydrophobicContact CG-CD1 3.82Å; E670-R680 HydrophobicContact CG-CB 4.22Å; E670-R680 HydrophobicContact CG-CG 3.81Å; E670-R680 IonicContact OE1-CZ 2.87Å; E670-R680 IonicContact OE1-NE 2.72Å; E670-R680 PolarHBondContact OE1-NE 2.91Å; E670-R680 IonicContact OE1-NH2 2.71Å; E670-R680 PolarHBondContact OE1-NH2 3.35Å; E670-I709 CarbonylContact O-C 3.47Å; E670-I709 VanDerWaalsContact O-CA 3.27Å; E670-I709 WeakPolarHBondContact O-CA 3.27Å; E670-N710 HydrophobicContact CB-CB 4.24Å; E670-N710 PolarHBondContact N-O 2.7Å; E670-N710 PolarHBondContact O-N 2.82Å; E670-F712 HydrophobicContact CB-CE2 4.2Å; E670-F712 HydrophobicContact CG-CD2 4.25Å; E670-F712 HydrophobicContact CG-CE2 4.08Å; E670-F712 VanDerWaalsContact OE2-CE2 3.22Å; E670-F712 WeakPolarHBondContact OE2-CE2 3.25Å |
| 671 | I | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 114.1 | 179.1 | -57.7 | 176.4 | 0 | 0 | 0 | 107.6 | I653 I655 Y678 A679 F696 M707 I709 | I653-I671 HydrophobicContact CD1-CD1 4.17Å; I653-I671 HydrophobicContact CD1-CG2 3.64Å; I653-I671 HydrophobicContact CG2-CD1 4.22Å; I655-I671 HydrophobicContact CD1-CD1 4.27Å; I655-I671 HydrophobicContact CG1-CD1 4Å; I671-Y678 PolarHBondContact O-N 2.92Å; I671-A679 HydrophobicContact CB-CB 4.22Å; I671-A679 HydrophobicContact CD1-CB 4.17Å; I671-A679 PolarHBondContact N-O 2.95Å; I671-A679 PolarHBondContact O-N 3.06Å; I671-F696 HydrophobicContact CD1-CB 4.37Å; I671-F696 HydrophobicContact CD1-CD2 3.37Å; I671-F696 HydrophobicContact CD1-CE2 3.73Å; I671-F696 HydrophobicContact CD1-CG 3.85Å; I671-F696 HydrophobicContact CD1-CZ 4.46Å; I671-M707 HydrophobicContact CG2-SD 4.31Å; I671-I709 HydrophobicContact CG1-CG1 4.34Å |
| 672 | C | 95.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.1 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | T676 M707 T708 | C672-T676 CarbonylContact C-O 3.59Å; C672-T676 WeakPolarHBondContact CA-O 3.32Å; C672-T676 WeakPolarHBondContact CB-O 3.19Å; C672-M707 CarbonylContact O-C 3.57Å; C672-M707 WeakPolarHBondContact O-CA 3.33Å; C672-T708 PolarHBondContact N-O 2.95Å; C672-T708 PolarHBondContact O-N 3.28Å |
| 673 | L | 94.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.2 | 173.2 | -47.9 | 178.2 | 0 | 0 | 0 | 108.1 | L651 R675 T676 Y678 L698 L701 I704 M707 | L651-L673 HydrophobicContact CD2-CD1 4.02Å; L651-L673 HydrophobicContact CD2-CD2 3.46Å; L651-L673 VanDerWaalsContact CD2-CD2 3.46Å; L651-L673 HydrophobicContact CD2-CG 4.41Å; L673-R675 PolarHBondContact O-N 3.36Å; L673-T676 PolarHBondContact N-O 2.98Å; L673-T676 WeakPolarHBondContact O-CB 3.34Å; L673-T676 PolarHBondContact O-N 3.29Å; L673-Y678 HydrophobicContact CB-CD2 3.71Å; L673-Y678 HydrophobicContact CB-CE2 3.7Å; L673-Y678 HydrophobicContact CD1-CD1 4.05Å; L673-Y678 HydrophobicContact CD1-CD2 3.72Å; L673-Y678 HydrophobicContact CD1-CE1 4.23Å; L673-Y678 HydrophobicContact CD1-CE2 3.92Å; L673-Y678 HydrophobicContact CD1-CG 3.79Å; L673-Y678 HydrophobicContact CG-CD2 3.61Å; L673-Y678 HydrophobicContact CG-CE2 4.02Å; L673-Y678 HydrophobicContact CG-CG 4.02Å; L673-L698 HydrophobicContact CD1-CD1 3.97Å; L673-L701 HydrophobicContact CD1-CD1 3.88Å; L673-L701 HydrophobicContact CD1-CD2 3.88Å; L673-I704 HydrophobicContact CB-CG2 4.14Å; L673-I704 HydrophobicContact CD1-CD1 3.95Å; L673-I704 HydrophobicContact CD2-CD1 4.36Å; L673-M707 HydrophobicContact CD2-CB 3.89Å; L673-M707 HydrophobicContact CD2-CG 3.79Å; L673-M707 HydrophobicContact CD2-SD 4.22Å |
| 674 | D | 92.8 | Very high | 93.3 | Very high | 61 Ų | 61 | 57.4 Ų | 57.4 | 33% | 0.326 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 41.7 | -171.2 | -68.4 | -23.6 | 0 | 0 | 0 | 113.4 | T676 I704 S705 I706 | D674-T676 PolarHBondContact O-N 2.87Å; D674-I704 VanDerWaalsContact OD2-CA 3.31Å; D674-I704 WeakPolarHBondContact OD2-CA 3.41Å; D674-S705 PolarHBondContact OD1-N 2.83Å; D674-S705 VanDerWaalsContact OD1-N 3.08Å; D674-S705 PolarHBondContact OD1-OG 3.27Å; D674-S705 PolarHBondContact OD2-N 3.5Å; D674-I706 PolarHBondContact N-O 3.48Å; D674-I706 WeakPolarHBondContact OD1-CG1 3.27Å; D674-I706 PolarHBondContact OD1-N 2.97Å |
| 675 | R | 89.4 | Confident | 93.8 | Very high | 217 Ų | 217 | 54.9 Ų | 54.9 | 82% | 0.819 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | -0.8 | -177.9 | -44.7 | 174.7 | -175.6 | -164.6 | 0.2 | 115.9 | L673 | L673-R675 PolarHBondContact O-N 3.36Š|
| 676 | T | 94.1 | Very high | 93.9 | Very high | 83 Ų | 83 | 54.7 Ų | 54.7 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 133 | 172 | -57.3 | 0 | 0 | 0 | 0 | 110 | C672 L673 D674 Y678 | C672-T676 CarbonylContact C-O 3.59Å; C672-T676 WeakPolarHBondContact CA-O 3.32Å; C672-T676 WeakPolarHBondContact CB-O 3.19Å; L673-T676 PolarHBondContact N-O 2.98Å; L673-T676 WeakPolarHBondContact O-CB 3.34Å; L673-T676 PolarHBondContact O-N 3.29Å; D674-T676 PolarHBondContact O-N 2.87Å; T676-Y678 HydrophobicContact CG2-CD2 4.35Å; T676-Y678 HydrophobicContact CG2-CE2 3.97Å; T676-Y678 WeakPolarHBondContact O-CD2 3.26Å |
| 677 | L | 95.2 | Very high | 93.6 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 46% | 0.461 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 123.9 | 177.9 | 178.6 | 66.9 | 0 | 0 | 0 | 110.7 | E670 A679 | E670-L677 HydrophobicContact CB-CD1 3.65Å; E670-L677 HydrophobicContact CG-CD1 3.82Å; L677-A679 WeakPolarHBondContact CD1-O 3.38Å |
| 678 | Y | 94.1 | Very high | 93.2 | Very high | 89 Ų | 89 | 54 Ų | 54 | 35% | 0.349 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -35.7 | 177.6 | -86.5 | -100.5 | 0 | 0 | 0 | 113.4 | I671 L673 T676 L698 L701 | I671-Y678 PolarHBondContact O-N 2.92Å; L673-Y678 HydrophobicContact CB-CD2 3.71Å; L673-Y678 HydrophobicContact CB-CE2 3.7Å; L673-Y678 HydrophobicContact CD1-CD1 4.05Å; L673-Y678 HydrophobicContact CD1-CD2 3.72Å; L673-Y678 HydrophobicContact CD1-CE1 4.23Å; L673-Y678 HydrophobicContact CD1-CE2 3.92Å; L673-Y678 HydrophobicContact CD1-CG 3.79Å; L673-Y678 HydrophobicContact CG-CD2 3.61Å; L673-Y678 HydrophobicContact CG-CE2 4.02Å; L673-Y678 HydrophobicContact CG-CG 4.02Å; T676-Y678 HydrophobicContact CG2-CD2 4.35Å; T676-Y678 HydrophobicContact CG2-CE2 3.97Å; T676-Y678 WeakPolarHBondContact O-CD2 3.26Å; Y678-L698 HydrophobicContact CD1-CD1 4.36Å; Y678-L698 HydrophobicContact CG-CD1 4.4Å; Y678-L701 HydrophobicContact CD1-CD2 4.03Å; Y678-L701 HydrophobicContact CE1-CD2 3.44Å; Y678-L701 VanDerWaalsContact CE1-CD2 3.44Å |
| 679 | A | 94.7 | Very high | 92.9 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 13% | 0.132 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 161.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I671 L677 F696 | I671-A679 HydrophobicContact CB-CB 4.22Å; I671-A679 HydrophobicContact CD1-CB 4.17Å; I671-A679 PolarHBondContact N-O 2.95Å; I671-A679 PolarHBondContact O-N 3.06Å; L677-A679 WeakPolarHBondContact CD1-O 3.38Å; A679-F696 HydrophobicContact CB-CD1 3.51Å; A679-F696 HydrophobicContact CB-CE1 3.82Å; A679-F696 HydrophobicContact CB-CG 4.07Å |
| 680 | R | 95.2 | Very high | 92.7 | Very high | 134 Ų | 134 | 56.9 Ų | 56.9 | 51% | 0.506 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 139.4 | 174.6 | -172.7 | -168.4 | -77.9 | 150.7 | -4.1 | 109.6 | F668 C669 E670 | F668-R680 HydrophobicContact CD2-CG 3.58Å; F668-R680 HydrophobicContact CE2-CG 4.1Å; F668-R680 HydrophobicContact CG-CG 4.39Å; C669-R680 CarbonylContact O-C 3.48Å; C669-R680 VanDerWaalsContact O-CA 3.28Å; C669-R680 WeakPolarHBondContact O-CA 3.5Å; C669-R680 WeakPolarHBondContact O-CG 3.25Å; E670-R680 HydrophobicContact CG-CB 4.22Å; E670-R680 HydrophobicContact CG-CG 3.81Å; E670-R680 IonicContact OE1-CZ 2.87Å; E670-R680 IonicContact OE1-NE 2.72Å; E670-R680 PolarHBondContact OE1-NE 2.91Å; E670-R680 IonicContact OE1-NH2 2.71Å; E670-R680 PolarHBondContact OE1-NH2 3.35Å |
| 681 | T | 95.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | trans | -77.8 | 166.1 | 174.4 | 70.7 | 0 | 0 | 0 | 0 | 112.6 | I655 F668 C669 W692 E694 F696 | I655-T681 HydrophobicContact CB-CG2 3.98Å; I655-T681 HydrophobicContact CG1-CG2 4.1Å; I655-T681 HydrophobicContact CG2-CG2 3.92Å; F668-T681 WeakPolarHBondContact CA-OG1 3.48Å; C669-T681 HydrophobicContact CB-CG2 3.92Å; C669-T681 PolarHBondContact N-OG1 3.1Å; C669-T681 PolarHBondContact O-N 3.47Å; T681-W692 HydrophobicContact CG2-CG 4.4Å; T681-W692 PolarHBondContact OG1-NE1 3.1Å; T681-E694 WeakPolarHBondContact CA-OE2 3.35Å; T681-E694 WeakPolarHBondContact CB-OE2 3.31Å; T681-F696 HydrophobicContact CG2-CE2 3.94Å; T681-F696 HydrophobicContact CG2-CZ 3.9Å | ||
| 682 | T | 91.9 | Very high | 92.3 | Very high | 73 Ų | 73 | 61.4 Ų | 61.4 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | trans | -64.2 | 158.4 | 170.4 | 70.1 | 0 | 0 | 0 | 0 | 112.6 | K684 W692 E694 | T682-K684 VanDerWaalsContact OG1-CE 3.26Å; T682-K684 WeakPolarHBondContact OG1-CE 3.48Å; T682-W692 PolarHBondContact O-NE1 3.17Å; T682-E694 WeakPolarHBondContact CB-OE1 3.31Å; T682-E694 WeakPolarHBondContact CG2-OE1 3.5Å; T682-E694 PolarHBondContact N-OE1 3.06Å; T682-E694 PolarHBondContact N-OE2 3.04Å; T682-E694 PolarHBondContact OG1-OE1 3.07Å | ||
| 683 | S | 92.4 | Very high | 91.8 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | trans | -94.9 | 95.7 | -178.4 | -72 | 0 | 0 | 0 | 0 | 112.8 | R666 Y667 F668 Q714 | R666-S683 WeakPolarHBondContact CD-O 3.45Å; R666-S683 PolarHBondContact NE-O 3.09Å; Y667-S683 WeakPolarHBondContact O-CA 3.36Å; F668-S683 WeakPolarHBondContact CD1-OG 3.15Å; S683-Q714 PolarHBondContact OG-OE1 3.39Å | ||
| 684 | K | 91.9 | Very high | 91.6 | Very high | 50 Ų | 50 | 64.2 Ų | 64.2 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 146.3 | -173.4 | -63.7 | -169.5 | -176.5 | -165.5 | 0 | 112.7 | R666 Y667 T682 V690 F691 W692 | R666-K684 CarbonylContact C-O 3.51Å; R666-K684 WeakPolarHBondContact CA-O 3.48Å; Y667-K684 PolarHBondContact N-O 2.95Å; Y667-K684 PolarHBondContact O-N 2.84Å; T682-K684 VanDerWaalsContact OG1-CE 3.26Å; T682-K684 WeakPolarHBondContact OG1-CE 3.48Å; K684-V690 HydrophobicContact CB-CG1 3.64Å; K684-V690 HydrophobicContact CD-CG1 4.48Å; K684-F691 WeakPolarHBondContact CD-O 3.41Å; K684-F691 PolarHBondContact NZ-O 3.49Å; K684-W692 HydrophobicContact CD-CG 4.4Å; K684-W692 PolarHBondContact NZ-O 3Å |
| 685 | L | 90.5 | Very high | 91.5 | Very high | 116 Ų | 116 | 67.1 Ų | 67.1 | 61% | 0.607 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 142.8 | 177.3 | -75.3 | 165.6 | 0 | 0 | 0 | 110.8 | R666 | R666-L685 HydrophobicContact CG-CD2 3.55Å; R666-L685 HydrophobicContact CG-CG 3.79Å |
| 686 | S | 88.7 | Confident | 91.6 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 130.7 | 178.7 | 168.7 | 0 | 0 | 0 | 0 | 112.3 | S662 A663 G665 Y667 G688 | S662-S686 WeakPolarHBondContact O-CB 3.23Å; S662-S686 PolarHBondContact O-OG 3.42Å; A663-S686 CarbonylContact C-O 3.49Å; A663-S686 VanDerWaalsContact CA-O 3.32Å; A663-S686 WeakPolarHBondContact CA-O 3.21Å; G665-S686 PolarHBondContact O-N 3.42Å; G665-S686 VanDerWaalsContact O-N 3.09Å; Y667-S686 VanDerWaalsContact CE2-CB 3.42Å; S686-G688 PolarHBondContact OG-N 2.85Å |
| 687 | D | 86.4 | Confident | 91.3 | Very high | 96 Ų | 96 | 57.2 Ų | 57.2 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -97.3 | 9.8 | 165.2 | 78.5 | -25.4 | 0 | 0 | 0 | 112.5 | T689 | D687-T689 PolarHBondContact N-O 3.18Å; D687-T689 WeakPolarHBondContact OD1-CA 3.33Å; D687-T689 WeakPolarHBondContact OD1-CB 3.31Å; D687-T689 PolarHBondContact OD1-N 3.46Å; D687-T689 PolarHBondContact OD1-OG1 3.16Å |
| 688 | G | 87.4 | Confident | 91.1 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 109.3 | -21.6 | -161.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N660 L661 S686 | N660-G688 PolarHBondContact N-O 3.17Å; L661-G688 PolarHBondContact N-O 2.82Å; L661-G688 VanDerWaalsContact N-O 3.1Å; L661-G688 WeakPolarHBondContact O-CA 3.32Å; S686-G688 PolarHBondContact OG-N 2.85Å |
| 689 | T | 90.9 | Very high | 90.7 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 155.9 | 169.2 | 36.8 | 0 | 0 | 0 | 0 | 110.8 | V658 K659 D687 | V658-T689 CarbonylContact O-C 3.52Å; V658-T689 VanDerWaalsContact O-CA 3.3Å; V658-T689 WeakPolarHBondContact O-CA 3.46Å; K659-T689 HydrophobicContact CB-CG2 3.63Å; D687-T689 PolarHBondContact N-O 3.18Å; D687-T689 WeakPolarHBondContact OD1-CA 3.33Å; D687-T689 WeakPolarHBondContact OD1-CB 3.31Å; D687-T689 PolarHBondContact OD1-N 3.46Å; D687-T689 PolarHBondContact OD1-OG1 3.16Å |
| 690 | V | 92.2 | Very high | 90.1 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 127.2 | 170.7 | 176 | 0 | 0 | 0 | 0 | 108.6 | E657 V658 L661 Y667 K684 W692 | E657-V690 CarbonylContact C-O 3.47Å; E657-V690 WeakPolarHBondContact CA-O 3.44Å; E657-V690 VanDerWaalsContact CB-O 3.3Å; E657-V690 WeakPolarHBondContact CB-O 3.43Å; V658-V690 HydrophobicContact CG1-CB 3.83Å; V658-V690 HydrophobicContact CG1-CG2 4.49Å; V658-V690 PolarHBondContact N-O 2.75Å; V658-V690 PolarHBondContact O-N 3.01Å; L661-V690 HydrophobicContact CD1-CG2 3.99Å; Y667-V690 HydrophobicContact CD2-CG2 4.44Å; K684-V690 HydrophobicContact CB-CG1 3.64Å; K684-V690 HydrophobicContact CD-CG1 4.48Å; V690-W692 HydrophobicContact CB-CH2 4.3Å; V690-W692 HydrophobicContact CB-CZ2 4.34Å; V690-W692 HydrophobicContact CG1-CD2 3.95Å; V690-W692 HydrophobicContact CG1-CE3 4.27Å; V690-W692 HydrophobicContact CG1-CH2 4.03Å; V690-W692 HydrophobicContact CG1-CZ2 3.64Å; V690-W692 HydrophobicContact CG1-CZ3 4.33Å |
| 691 | F | 92.5 | Very high | 89.7 | Confident | 113 Ų | 113 | 48.4 Ų | 48.4 | 50% | 0.496 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 116.9 | 174.4 | 179.7 | -84.1 | 0 | 0 | 0 | 109.9 | Q656 E657 K684 | Q656-F691 CarbonylContact O-C 3.21Å; Q656-F691 WeakPolarHBondContact O-CA 3.32Å; E657-F691 HydrophobicContact CB-CB 4.21Å; E657-F691 HydrophobicContact CB-CD2 3.93Å; E657-F691 HydrophobicContact CB-CG 4.48Å; K684-F691 WeakPolarHBondContact CD-O 3.41Å; K684-F691 PolarHBondContact NZ-O 3.49Å |
| 692 | W | 92.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -60.9 | 172.2 | -67.7 | -80.8 | 0 | 0 | 0 | 110.5 | I655 Q656 V658 T681 T682 K684 V690 E694 L711 L903 | I655-W692 HydrophobicContact CG2-CD2 4.39Å; I655-W692 HydrophobicContact CG2-CE3 3.83Å; I655-W692 HydrophobicContact CG2-CZ3 4.35Å; I655-W692 WeakPolarHBondContact O-CB 3.25Å; Q656-W692 PolarHBondContact O-N 3.46Å; V658-W692 HydrophobicContact CB-CH2 4.23Å; V658-W692 HydrophobicContact CB-CZ3 3.85Å; V658-W692 HydrophobicContact CG1-CH2 3.4Å; V658-W692 HydrophobicContact CG1-CZ3 3.39Å; T681-W692 HydrophobicContact CG2-CG 4.4Å; T681-W692 PolarHBondContact OG1-NE1 3.1Å; T682-W692 PolarHBondContact O-NE1 3.17Å; K684-W692 HydrophobicContact CD-CG 4.4Å; K684-W692 PolarHBondContact NZ-O 3Å; V690-W692 HydrophobicContact CB-CH2 4.3Å; V690-W692 HydrophobicContact CB-CZ2 4.34Å; V690-W692 HydrophobicContact CG1-CD2 3.95Å; V690-W692 HydrophobicContact CG1-CE3 4.27Å; V690-W692 HydrophobicContact CG1-CH2 4.03Å; V690-W692 HydrophobicContact CG1-CZ2 3.64Å; V690-W692 HydrophobicContact CG1-CZ3 4.33Å; W692-E694 VanDerWaalsContact C-N 3.25Å; W692-E694 HydrophobicContact CB-CB 4.32Å; W692-E694 HydrophobicContact CB-CG 4.08Å; W692-L711 HydrophobicContact CH2-CD1 3.85Å; W692-L711 HydrophobicContact CZ2-CD1 4.48Å; W692-L903 HydrophobicContact CZ3-CD1 3.95Å |
| 693 | G | 86.9 | Confident | 88.9 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.9 | 21.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I655 Q656 | I655-G693 PolarHBondContact O-N 3.2Å; Q656-G693 PolarHBondContact O-N 3.32Å; Q656-G693 VanDerWaalsContact O-N 3.13Å |
| 694 | E | 90.3 | Very high | 88.7 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.8 | -171.9 | -71.1 | 167.1 | -144.5 | 0 | 0 | 110.6 | S654 I655 T681 T682 W692 F696 | S654-E694 CarbonylContact C-O 3.57Å; S654-E694 WeakPolarHBondContact CA-O 3.38Å; I655-E694 PolarHBondContact N-O 3.07Å; I655-E694 PolarHBondContact O-N 2.7Å; I655-E694 VanDerWaalsContact O-N 3.11Å; T681-E694 WeakPolarHBondContact CA-OE2 3.35Å; T681-E694 WeakPolarHBondContact CB-OE2 3.31Å; T682-E694 WeakPolarHBondContact CB-OE1 3.31Å; T682-E694 WeakPolarHBondContact CG2-OE1 3.5Å; T682-E694 PolarHBondContact N-OE1 3.06Å; T682-E694 PolarHBondContact N-OE2 3.04Å; T682-E694 PolarHBondContact OG1-OE1 3.07Å; W692-E694 VanDerWaalsContact C-N 3.25Å; W692-E694 HydrophobicContact CB-CB 4.32Å; W692-E694 HydrophobicContact CB-CG 4.08Å; E694-F696 HydrophobicContact CB-CE2 4.03Å; E694-F696 HydrophobicContact CB-CZ 4.08Å |
| 695 | Q | 89.2 | Confident | 88.5 | Confident | 122 Ų | 122 | 53.4 Ų | 53.4 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141.8 | 179.3 | -179 | 174.5 | -25.6 | 0 | 0 | 110.7 | I653 D697 | I653-Q695 CarbonylContact O-C 3.59Å; I653-Q695 WeakPolarHBondContact O-CA 3.42Å; Q695-D697 PolarHBondContact NE2-OD1 3.13Å; Q695-D697 PolarHBondContact NE2-OD2 3.19Å; Q695-D697 VanDerWaalsContact NE2-OD2 3.14Å |
| 696 | F | 92 | Very high | 88.6 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 112.9 | 178.3 | -54 | -84.6 | 0 | 0 | 0 | 108 | R652 I653 I655 I671 A679 T681 E694 | R652-F696 WeakPolarHBondContact CA-O 3.4Å; I653-F696 PolarHBondContact N-O 3.35Å; I653-F696 PolarHBondContact O-N 3.06Å; I655-F696 HydrophobicContact CB-CE2 4.46Å; I655-F696 HydrophobicContact CG1-CD2 4.29Å; I655-F696 HydrophobicContact CG1-CE2 3.94Å; I671-F696 HydrophobicContact CD1-CB 4.37Å; I671-F696 HydrophobicContact CD1-CD2 3.37Å; I671-F696 HydrophobicContact CD1-CE2 3.73Å; I671-F696 HydrophobicContact CD1-CG 3.85Å; I671-F696 HydrophobicContact CD1-CZ 4.46Å; A679-F696 HydrophobicContact CB-CD1 3.51Å; A679-F696 HydrophobicContact CB-CE1 3.82Å; A679-F696 HydrophobicContact CB-CG 4.07Å; T681-F696 HydrophobicContact CG2-CE2 3.94Å; T681-F696 HydrophobicContact CG2-CZ 3.9Å; E694-F696 HydrophobicContact CB-CE2 4.03Å; E694-F696 HydrophobicContact CB-CZ 4.08Å |
| 697 | D | 88.8 | Confident | 88.8 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 31% | 0.31 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 105.6 | 175 | -66.6 | -18.6 | 0 | 0 | 0 | 108.2 | R652 Q695 | R652-D697 WeakPolarHBondContact CB-OD1 3.21Å; R652-D697 HydrophobicContact CG-CB 4.21Å; R652-D697 VanDerWaalsContact CG-OD1 3.25Å; R652-D697 WeakPolarHBondContact CG-OD1 3.3Å; Q695-D697 PolarHBondContact NE2-OD1 3.13Å; Q695-D697 PolarHBondContact NE2-OD2 3.19Å; Q695-D697 VanDerWaalsContact NE2-OD2 3.14Å |
| 698 | L | 90.4 | Very high | 89.2 | Confident | 28 Ų | 28 | 46 Ų | 46 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 91.2 | -178.3 | -56.9 | 177.5 | 0 | 0 | 0 | 108.4 | L651 I653 L673 Y678 L701 | L651-L698 HydrophobicContact CB-CB 4.44Å; L651-L698 PolarHBondContact N-O 2.85Å; L651-L698 WeakPolarHBondContact O-CB 3.31Å; L651-L698 PolarHBondContact O-N 3.41Å; I653-L698 HydrophobicContact CD1-CD1 4.3Å; L673-L698 HydrophobicContact CD1-CD1 3.97Å; Y678-L698 HydrophobicContact CD1-CD1 4.36Å; Y678-L698 HydrophobicContact CG-CD1 4.4Å; L698-L701 HydrophobicContact CB-CD1 3.9Å; L698-L701 HydrophobicContact CB-CD2 4.25Å; L698-L701 HydrophobicContact CB-CG 4.35Å; L698-L701 VanDerWaalsContact O-CD1 3.29Å; L698-L701 WeakPolarHBondContact O-CD1 3.48Å |
| 699 | N | 85.9 | Confident | 89.7 | Confident | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | trans | -90.8 | 165.1 | 177.3 | -61.4 | -48.6 | 0 | 0 | 0 | 111 | N627 S650 L701 | N627-N699 VanDerWaalsContact CG-ND2 3.28Å; N627-N699 PolarHBondContact ND2-ND2 2.95Å; N627-N699 PolarHBondContact OD1-ND2 3.35Å; S650-N699 WeakPolarHBondContact CB-OD1 3Å; N699-L701 VanDerWaalsContact C-N 3.3Å; N699-L701 PolarHBondContact O-N 2.9Å | ||
| 700 | N | 81.3 | Confident | 90 | Very high | 48 Ų | 48 | 43.8 Ų | 43.8 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 62.1 | 36.1 | 168 | -43.8 | -61.7 | 0 | 0 | 0 | 113.8 | S630 R634 D648 V649 | S630-N700 PolarHBondContact OG-ND2 2.93Å; R634-N700 VanDerWaalsContact CZ-CB 3.49Å; R634-N700 PolarHBondContact NH1-OD1 3.05Å; R634-N700 PolarHBondContact NH2-ND2 3.15Å; R634-N700 VanDerWaalsContact NH2-ND2 3.14Å; R634-N700 PolarHBondContact NH2-OD1 3.04Å; D648-N700 WeakPolarHBondContact OD1-CA 3.43Å; D648-N700 PolarHBondContact OD1-OD1 2.87Å; V649-N700 PolarHBondContact O-N 3.06Å |
| 701 | L | 87.4 | Confident | 90.2 | Very high | 16 Ų | 16 | 43.5 Ų | 43.5 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -75 | 154.9 | -178 | -67.3 | 168.1 | 0 | 0 | 0 | 110.9 | V649 L651 L673 Y678 L698 N699 I704 | V649-L701 HydrophobicContact CB-CB 4.18Å; V649-L701 HydrophobicContact CG1-CB 4.12Å; V649-L701 PolarHBondContact O-N 2.77Å; L651-L701 HydrophobicContact CB-CD1 3.59Å; L651-L701 HydrophobicContact CD2-CD1 4.37Å; L673-L701 HydrophobicContact CD1-CD1 3.88Å; L673-L701 HydrophobicContact CD1-CD2 3.88Å; Y678-L701 HydrophobicContact CD1-CD2 4.03Å; Y678-L701 HydrophobicContact CE1-CD2 3.44Å; Y678-L701 VanDerWaalsContact CE1-CD2 3.44Å; L698-L701 HydrophobicContact CB-CD1 3.9Å; L698-L701 HydrophobicContact CB-CD2 4.25Å; L698-L701 HydrophobicContact CB-CG 4.35Å; L698-L701 VanDerWaalsContact O-CD1 3.29Å; L698-L701 WeakPolarHBondContact O-CD1 3.48Å; N699-L701 VanDerWaalsContact C-N 3.3Å; N699-L701 PolarHBondContact O-N 2.9Å; L701-I704 HydrophobicContact CD1-CD1 3.86Å |
| 702 | P | 85.4 | Confident | 90.3 | Very high | 77 Ų | 77 | 39.7 Ų | 39.7 | 50% | 0.5 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 166.6 | 159 | 30.6 | -35 | 0 | 0 | 0 | 109.7 | I704 | P702-I704 HydrophobicContact CG-CG2 4.29Å; P702-I704 PolarHBondContact O-N 3.45Å; P702-I704 VanDerWaalsContact O-N 3.15Å |
| 703 | I | 84.2 | Confident | 90.4 | Very high | 125 Ų | 125 | 42.4 Ų | 42.4 | 64% | 0.641 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -58.5 | 122.1 | 168 | -58.6 | 173.4 | 0 | 0 | 0 | 107.9 | ||
| 704 | I | 87.8 | Confident | 90.5 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | trans | -120.1 | 140.2 | -176.4 | 50.5 | 178.4 | 0 | 0 | 0 | 110.9 | V649 L651 L673 D674 L701 P702 L739 Y909 | V649-I704 HydrophobicContact CG1-CG1 4.44Å; L651-I704 HydrophobicContact CD2-CD1 3.98Å; L673-I704 HydrophobicContact CB-CG2 4.14Å; L673-I704 HydrophobicContact CD1-CD1 3.95Å; L673-I704 HydrophobicContact CD2-CD1 4.36Å; D674-I704 VanDerWaalsContact OD2-CA 3.31Å; D674-I704 WeakPolarHBondContact OD2-CA 3.41Å; L701-I704 HydrophobicContact CD1-CD1 3.86Å; P702-I704 HydrophobicContact CG-CG2 4.29Å; P702-I704 PolarHBondContact O-N 3.45Å; P702-I704 VanDerWaalsContact O-N 3.15Å; I704-L739 HydrophobicContact CD1-CD1 3.46Å; I704-L739 VanDerWaalsContact CD1-CD1 3.46Å; I704-L739 HydrophobicContact CG1-CD1 3.84Å; I704-Y909 HydrophobicContact CD1-CE2 4.05Å; I704-Y909 HydrophobicContact CG1-CE2 3.94Å | ||
| 705 | S | 88.8 | Confident | 90.3 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | trans | -101.7 | -34.8 | -175.9 | 73.7 | 0 | 0 | 0 | 0 | 114.1 | D674 L739 | D674-S705 PolarHBondContact OD1-N 2.83Å; D674-S705 VanDerWaalsContact OD1-N 3.08Å; D674-S705 PolarHBondContact OD1-OG 3.27Å; D674-S705 PolarHBondContact OD2-N 3.5Å; S705-L739 PolarHBondContact O-N 3.35Å | ||
| 706 | I | 91.3 | Very high | 89.6 | Confident | 47 Ų | 47 | 42 Ų | 42 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 134.8 | -176.8 | 56.5 | 167.2 | 0 | 0 | 0 | 112 | D674 T736 | D674-I706 PolarHBondContact N-O 3.48Å; D674-I706 WeakPolarHBondContact OD1-CG1 3.27Å; D674-I706 PolarHBondContact OD1-N 2.97Å; I706-T736 HydrophobicContact CB-CG2 4.34Å |
| 707 | M | 93.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138.3 | 162.8 | 177.1 | 171.1 | 63.6 | 0 | 0 | 109.4 | L651 I653 I671 C672 L673 I709 T736 I737 L739 I907 | L651-M707 HydrophobicContact CD2-SD 4.09Å; I653-M707 HydrophobicContact CD1-SD 3.42Å; I653-M707 WeakPolarHBondContact CD1-SD 3.28Å; I653-M707 HydrophobicContact CG1-SD 4.05Å; I671-M707 HydrophobicContact CG2-SD 4.31Å; C672-M707 CarbonylContact O-C 3.57Å; C672-M707 WeakPolarHBondContact O-CA 3.33Å; L673-M707 HydrophobicContact CD2-CB 3.89Å; L673-M707 HydrophobicContact CD2-CG 3.79Å; L673-M707 HydrophobicContact CD2-SD 4.22Å; M707-I709 HydrophobicContact CE-CD1 4.2Å; M707-I709 HydrophobicContact CG-CG1 4.33Å; M707-I709 HydrophobicContact SD-CD1 4.23Å; M707-I709 HydrophobicContact SD-CG1 4.47Å; M707-T736 CarbonylContact O-C 3.51Å; M707-T736 WeakPolarHBondContact O-CA 3.46Å; M707-I737 HydrophobicContact CE-CB 4.38Å; M707-I737 HydrophobicContact CE-CD1 4.05Å; M707-I737 PolarHBondContact N-O 2.85Å; M707-I737 PolarHBondContact O-N 3.32Å; M707-L739 HydrophobicContact CB-CD1 4.07Å; M707-L739 HydrophobicContact CB-CG 4.34Å; M707-I907 HydrophobicContact CE-CD1 3.55Å; M707-I907 HydrophobicContact CE-CG1 3.91Å; M707-I907 HydrophobicContact CE-CG2 4.03Å |
| 708 | T | 95.4 | Very high | 86.5 | Confident | 18 Ų | 18 | 44.7 Ų | 44.7 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 125 | 173 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | C672 Y734 V735 T736 | C672-T708 PolarHBondContact N-O 2.95Å; C672-T708 PolarHBondContact O-N 3.28Å; T708-Y734 HydrophobicContact CG2-CD2 4.24Å; T708-V735 CarbonylContact C-O 3.59Å; T708-V735 WeakPolarHBondContact CA-O 3.49Å; T708-T736 WeakPolarHBondContact OG1-CG2 3.48Å; T708-T736 PolarHBondContact OG1-OG1 2.88Å |
| 709 | I | 96.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 115.8 | 177.9 | -62.9 | 163.5 | 0 | 0 | 0 | 108.9 | I655 C669 E670 I671 M707 Y734 V735 L903 M905 | I655-I709 HydrophobicContact CD1-CD1 3.85Å; I655-I709 HydrophobicContact CD1-CG2 4.43Å; C669-I709 HydrophobicContact CB-CG2 4.05Å; E670-I709 CarbonylContact O-C 3.47Å; E670-I709 VanDerWaalsContact O-CA 3.27Å; E670-I709 WeakPolarHBondContact O-CA 3.27Å; I671-I709 HydrophobicContact CG1-CG1 4.34Å; M707-I709 HydrophobicContact CE-CD1 4.2Å; M707-I709 HydrophobicContact CG-CG1 4.33Å; M707-I709 HydrophobicContact SD-CD1 4.23Å; M707-I709 HydrophobicContact SD-CG1 4.47Å; I709-Y734 CarbonylContact O-C 3.57Å; I709-Y734 WeakPolarHBondContact O-CA 3.38Å; I709-V735 PolarHBondContact N-O 2.88Å; I709-V735 PolarHBondContact O-N 2.91Å; I709-L903 HydrophobicContact CG2-CD2 3.7Å; I709-M905 HydrophobicContact CD1-CE 3.51Å; I709-M905 HydrophobicContact CD1-SD 3.43Å; I709-M905 WeakPolarHBondContact CD1-SD 3.4Å |
| 710 | N | 96.5 | Very high | 82.9 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.4 | -175.7 | -65.6 | -44.1 | 0 | 0 | 0 | 110.3 | C669 E670 F712 F731 Y734 | C669-N710 CarbonylContact C-O 3.54Å; C669-N710 VanDerWaalsContact CA-O 3.26Å; C669-N710 WeakPolarHBondContact CA-O 3.5Å; E670-N710 HydrophobicContact CB-CB 4.24Å; E670-N710 PolarHBondContact N-O 2.7Å; E670-N710 PolarHBondContact O-N 2.82Å; N710-F712 HydrophobicContact CB-CD2 4.26Å; N710-F712 HydrophobicContact CB-CE2 3.57Å; N710-F712 HydrophobicContact CB-CZ 4.29Å; N710-F731 HydrophobicContact CB-CD2 4.46Å; N710-F731 HydrophobicContact CB-CE2 3.75Å; N710-Y734 WeakPolarHBondContact OD1-CB 3.41Å |
| 711 | L | 96.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.6 | 173.5 | 175.9 | 72.5 | 0 | 0 | 0 | 110.6 | V658 L661 Y667 W692 F731 I732 G733 M754 P901 | V658-L711 HydrophobicContact CG2-CD2 4.25Å; L661-L711 HydrophobicContact CD2-CD2 3.69Å; Y667-L711 HydrophobicContact CD1-CD1 4.24Å; Y667-L711 HydrophobicContact CD1-CG 4.42Å; W692-L711 HydrophobicContact CH2-CD1 3.85Å; W692-L711 HydrophobicContact CZ2-CD1 4.48Å; L711-F731 WeakPolarHBondContact O-CD2 3.5Å; L711-I732 HydrophobicContact CB-CB 4.46Å; L711-I732 HydrophobicContact CD2-CB 3.94Å; L711-I732 HydrophobicContact CD2-CG2 3.71Å; L711-I732 HydrophobicContact CG-CB 4.04Å; L711-I732 HydrophobicContact CG-CG2 4.37Å; L711-I732 WeakPolarHBondContact O-CB 3.42Å; L711-I732 PolarHBondContact O-N 3.29Å; L711-G733 PolarHBondContact N-O 3.34Å; L711-M754 HydrophobicContact CB-CE 3.57Å; L711-M754 HydrophobicContact CB-SD 3.69Å; L711-M754 HydrophobicContact CD2-SD 3.71Å; L711-M754 HydrophobicContact CG-SD 4.31Å; L711-P901 HydrophobicContact CD2-CB 4.37Å |
| 712 | F | 95.1 | Very high | 79.9 | Confident | 34 Ų | 34 | 72.4 Ų | 72.4 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150.8 | 174.6 | -68.7 | -89.4 | 0 | 0 | 0 | 111.7 | Y667 F668 E670 N710 N729 Q730 F731 | Y667-F712 WeakPolarHBondContact CA-O 3.34Å; F668-F712 HydrophobicContact CD1-CB 4.19Å; F668-F712 HydrophobicContact CD2-CB 4.1Å; F668-F712 HydrophobicContact CD2-CD2 4.3Å; F668-F712 HydrophobicContact CE1-CB 3.66Å; F668-F712 HydrophobicContact CE2-CB 3.57Å; F668-F712 AromaticContact CE2-CD2 3.6Å; F668-F712 HydrophobicContact CE2-CD2 3.6Å; F668-F712 AromaticContact CE2-CG 3.79Å; F668-F712 HydrophobicContact CE2-CG 3.79Å; F668-F712 HydrophobicContact CG-CB 4.39Å; F668-F712 HydrophobicContact CZ-CB 3.32Å; F668-F712 HydrophobicContact CZ-CD2 4.05Å; F668-F712 AromaticContact CZ-CG 3.76Å; F668-F712 HydrophobicContact CZ-CG 3.76Å; F668-F712 PolarHBondContact N-O 3.01Å; F668-F712 PolarHBondContact O-N 3.27Å; E670-F712 HydrophobicContact CB-CE2 4.2Å; E670-F712 HydrophobicContact CG-CD2 4.25Å; E670-F712 HydrophobicContact CG-CE2 4.08Å; E670-F712 VanDerWaalsContact OE2-CE2 3.22Å; E670-F712 WeakPolarHBondContact OE2-CE2 3.25Å; N710-F712 HydrophobicContact CB-CD2 4.26Å; N710-F712 HydrophobicContact CB-CE2 3.57Å; N710-F712 HydrophobicContact CB-CZ 4.29Å; F712-N729 HydrophobicContact CB-CB 4.39Å; F712-N729 HydrophobicContact CD1-CB 4.14Å; F712-Q730 CarbonylContact C-O 3.53Å; F712-Q730 WeakPolarHBondContact CA-O 3.4Å; F712-F731 HydrophobicContact CD1-CB 4.02Å; F712-F731 HydrophobicContact CD1-CD2 4.23Å; F712-F731 HydrophobicContact CE1-CB 3.73Å; F712-F731 AromaticContact CE1-CD2 3.83Å; F712-F731 HydrophobicContact CE1-CD2 3.83Å; F712-F731 HydrophobicContact CE1-CG 4.07Å; F712-F731 HydrophobicContact CE2-CD2 4.29Å; F712-F731 AromaticContact CZ-CD2 3.87Å; F712-F731 HydrophobicContact CZ-CD2 3.87Å; F712-F731 HydrophobicContact CZ-CE2 4.48Å; F712-F731 HydrophobicContact CZ-CG 4.43Å |
| 713 | R | 93.7 | Very high | 78.2 | Confident | 65 Ų | 65 | 72.9 Ų | 72.9 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.9 | 164.7 | 177.9 | 176.6 | 172.9 | -90.6 | -10.8 | 108.1 | K664 R666 Y667 A715 Q730 I732 | K664-R713 VanDerWaalsContact O-CZ 3.23Å; K664-R713 PolarHBondContact O-NE 3.39Å; K664-R713 PolarHBondContact O-NH2 3.32Å; R666-R713 CarbonylContact O-C 3.59Å; R666-R713 WeakPolarHBondContact O-CA 3.24Å; Y667-R713 HydrophobicContact CD1-CB 3.86Å; Y667-R713 HydrophobicContact CD1-CG 4.4Å; Y667-R713 HydrophobicContact CE1-CB 3.69Å; Y667-R713 HydrophobicContact CE1-CG 4.04Å; Y667-R713 HydrophobicContact CE2-CG 4.38Å; R713-A715 PolarHBondContact O-N 2.74Å; R713-Q730 HydrophobicContact CB-CB 4.27Å; R713-Q730 PolarHBondContact N-O 2.83Å; R713-Q730 PolarHBondContact O-N 2.97Å; R713-I732 HydrophobicContact CB-CD1 3.76Å; R713-I732 HydrophobicContact CB-CG1 3.85Å |
| 714 | Q | 91 | Very high | 76.5 | Confident | 66 Ų | 66 | 77 Ų | 77 | 31% | 0.308 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 134.1 | -178.8 | -169.3 | 79.4 | 32.3 | 0 | 0 | 110.4 | R666 F668 S683 T716 N729 | R666-Q714 HydrophobicContact CB-CB 3.9Å; R666-Q714 PolarHBondContact O-N 3.42Å; F668-Q714 VanDerWaalsContact CD1-OE1 3.32Å; S683-Q714 PolarHBondContact OG-OE1 3.39Å; Q714-T716 PolarHBondContact O-N 3.04Å; Q714-N729 WeakPolarHBondContact CA-OD1 3.44Å; Q714-N729 PolarHBondContact NE2-OD1 2.83Å |
| 715 | A | 85.9 | Confident | 74.9 | Confident | 25 Ų | 25 | 84.3 Ų | 84.3 | 21% | 0.207 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 125.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R713 S717 K726 N727 N729 | R713-A715 PolarHBondContact O-N 2.74Å; A715-S717 PolarHBondContact O-N 2.9Å; A715-K726 WeakPolarHBondContact CB-O 3.39Å; A715-N727 VanDerWaalsContact CB-C 3.49Å; A715-N727 WeakPolarHBondContact CB-O 3.46Å; A715-N729 PolarHBondContact N-OD1 3.03Å |
| 716 | T | 73 | Confident | 73.3 | Confident | 91 Ų | 91 | 87 Ų | 87 | 56% | 0.558 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 120.2 | 166.8 | 50.8 | 0 | 0 | 0 | 0 | 108.5 | Q714 V718 | Q714-T716 PolarHBondContact O-N 3.04Å; T716-V718 PolarHBondContact O-N 2.85Å |
| 717 | S | 61.4 | Low | 71.8 | Confident | 95 Ų | 95 | 89.1 Ų | 89.1 | 66% | 0.664 | 43% | 0.425 | S | S | * | . | trans | -59.9 | 102.9 | 173.2 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | A715 | A715-S717 PolarHBondContact O-N 2.9Š| ||
| 718 | V | 54.7 | Low | 71.2 | Confident | 55 Ų | 55 | 97.1 Ų | 97.1 | 33% | 0.333 | 46% | 0.462 | S | S | . | . | trans | -81.8 | 125.3 | 173.8 | -172.8 | 0 | 0 | 0 | 0 | 107.1 | T716 D720 | T716-V718 PolarHBondContact O-N 2.85Å; V718-D720 HydrophobicContact CG1-CB 4.08Å; V718-D720 PolarHBondContact O-N 3.03Å | ||
| 719 | K | 52.7 | Low | 71 | Confident | 172 Ų | 172 | 98.3 Ų | 98.3 | 75% | 0.748 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -64.1 | -11.2 | -177.7 | -69.1 | -164.6 | 169.2 | -158.6 | 0 | 113.6 | D406 K721 | D406-K719 IonicContact OD2-NZ 2.71Å; D406-K719 PolarHBondContact OD2-NZ 3.1Å; K719-K721 PolarHBondContact O-N 2.74Å |
| 720 | D | 48.5 | Very low | 70.7 | Confident | 110 Ų | 110 | 103 Ų | 103 | 59% | 0.588 | 49% | 0.49 | S | S | * | . | trans | -78.3 | 110.8 | 178.6 | -68.6 | -41.5 | 0 | 0 | 0 | 114.2 | V718 R722 Q723 | V718-D720 HydrophobicContact CG1-CB 4.08Å; V718-D720 PolarHBondContact O-N 3.03Å; D720-R722 PolarHBondContact O-N 3.1Å; D720-Q723 PolarHBondContact O-N 3.28Å | ||
| 721 | K | 52.2 | Low | 70.5 | Confident | 195 Ų | 195 | 105.2 Ų | 105.2 | 85% | 0.848 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -51.4 | -22.2 | 174.5 | -64.6 | 177.9 | -178.9 | 174.2 | 0 | 114.5 | K719 Q723 | K719-K721 PolarHBondContact O-N 2.74Å; K721-Q723 PolarHBondContact O-N 3.38Å |
| 722 | R | 52.4 | Low | 70.3 | Confident | 245 Ų | 245 | 107 Ų | 107 | 93% | 0.925 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -78.1 | -7.7 | -176.1 | -71.3 | -174.8 | 174.6 | -179.4 | -1.1 | 114.9 | D720 | D720-R722 PolarHBondContact O-N 3.1Š|
| 723 | Q | 50.5 | Low | 70.3 | Confident | 87 Ų | 87 | 105.4 Ų | 105.4 | 41% | 0.407 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -123 | 43.9 | -178.7 | -62.7 | -170 | 8.7 | 0 | 0 | 113.6 | D720 K721 N725 K726 | D720-Q723 PolarHBondContact O-N 3.28Å; K721-Q723 PolarHBondContact O-N 3.38Å; Q723-N725 PolarHBondContact O-N 2.94Å; Q723-K726 HydrophobicContact CB-CD 4.34Å; Q723-K726 HydrophobicContact CB-CG 4.44Å; Q723-K726 PolarHBondContact O-N 3.42Å; Q723-K726 VanDerWaalsContact OE1-CD 3.28Å |
| 724 | R | 49.7 | Very low | 70.4 | Confident | 211 Ų | 211 | 104.2 Ų | 104.2 | 80% | 0.796 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -53.1 | -27.4 | -178 | -148.3 | 171.3 | -176.4 | 171.4 | -1.3 | 114.5 | K726 | R724-K726 VanDerWaalsContact C-N 3.26Å; R724-K726 PolarHBondContact O-N 2.9Å |
| 725 | N | 53 | Low | 70.5 | Confident | 161 Ų | 161 | 101.4 Ų | 101.4 | 86% | 0.861 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -73.3 | -7.3 | 176.1 | -68.8 | 4 | 0 | 0 | 0 | 114.6 | Q723 | Q723-N725 PolarHBondContact O-N 2.94Š|
| 726 | K | 56.2 | Low | 70.9 | Confident | 122 Ų | 122 | 103 Ų | 103 | 53% | 0.53 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -89.7 | 1.8 | 176.6 | -71.4 | -169.4 | 180 | 171.3 | 0 | 114.6 | A715 Q723 R724 Q728 | A715-K726 WeakPolarHBondContact CB-O 3.39Å; Q723-K726 HydrophobicContact CB-CD 4.34Å; Q723-K726 HydrophobicContact CB-CG 4.44Å; Q723-K726 PolarHBondContact O-N 3.42Å; Q723-K726 VanDerWaalsContact OE1-CD 3.28Å; R724-K726 VanDerWaalsContact C-N 3.26Å; R724-K726 PolarHBondContact O-N 2.9Å; K726-Q728 VanDerWaalsContact C-N 3.31Å; K726-Q728 PolarHBondContact O-N 3.42Å |
| 727 | N | 58.7 | Low | 71.8 | Confident | 92 Ų | 92 | 99.8 Ų | 99.8 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | trans | -80.7 | -7.5 | -179.8 | -70.3 | 4.1 | 0 | 0 | 0 | 113.9 | A715 | A715-N727 VanDerWaalsContact CB-C 3.49Å; A715-N727 WeakPolarHBondContact CB-O 3.46Å | ||
| 728 | Q | 81.9 | Confident | 73.2 | Confident | 169 Ų | 169 | 99.4 Ų | 99.4 | 79% | 0.79 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -84.7 | 133.3 | 178 | -170.7 | 173 | 4.8 | 0 | 0 | 111 | K726 Q730 | K726-Q728 VanDerWaalsContact C-N 3.31Å; K726-Q728 PolarHBondContact O-N 3.42Å; Q728-Q730 PolarHBondContact O-N 2.93Å |
| 729 | N | 89.8 | Confident | 74.7 | Confident | 43 Ų | 43 | 97.3 Ų | 97.3 | 23% | 0.23 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -60 | 131.4 | 175.3 | -65.2 | -34.1 | 0 | 0 | 0 | 110.5 | F668 F712 Q714 A715 F731 | F668-N729 HydrophobicContact CE1-CB 4.19Å; F668-N729 HydrophobicContact CZ-CB 4.04Å; F668-N729 WeakPolarHBondContact CZ-ND2 3.47Å; F712-N729 HydrophobicContact CB-CB 4.39Å; F712-N729 HydrophobicContact CD1-CB 4.14Å; Q714-N729 WeakPolarHBondContact CA-OD1 3.44Å; Q714-N729 PolarHBondContact NE2-OD1 2.83Å; A715-N729 PolarHBondContact N-OD1 3.03Å; N729-F731 PolarHBondContact O-N 2.81Å |
| 730 | Q | 90.9 | Very high | 75.7 | Confident | 99 Ų | 99 | 93.4 Ų | 93.4 | 46% | 0.463 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 116.9 | -176.5 | 177.8 | -176.3 | 8.7 | 0 | 0 | 109.3 | F712 R713 Q728 I732 | F712-Q730 CarbonylContact C-O 3.53Å; F712-Q730 WeakPolarHBondContact CA-O 3.4Å; R713-Q730 HydrophobicContact CB-CB 4.27Å; R713-Q730 PolarHBondContact N-O 2.83Å; R713-Q730 PolarHBondContact O-N 2.97Å; Q728-Q730 PolarHBondContact O-N 2.93Å; Q730-I732 HydrophobicContact CG-CD1 3.97Å |
| 731 | F | 93.1 | Very high | 76.5 | Confident | 73 Ų | 73 | 91.4 Ų | 91.4 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 127.4 | 174.1 | -174.8 | -141.4 | 0 | 0 | 0 | 110.2 | N710 L711 F712 N729 G733 Y734 P757 | N710-F731 HydrophobicContact CB-CD2 4.46Å; N710-F731 HydrophobicContact CB-CE2 3.75Å; L711-F731 WeakPolarHBondContact O-CD2 3.5Å; F712-F731 HydrophobicContact CD1-CB 4.02Å; F712-F731 HydrophobicContact CD1-CD2 4.23Å; F712-F731 HydrophobicContact CE1-CB 3.73Å; F712-F731 AromaticContact CE1-CD2 3.83Å; F712-F731 HydrophobicContact CE1-CD2 3.83Å; F712-F731 HydrophobicContact CE1-CG 4.07Å; F712-F731 HydrophobicContact CE2-CD2 4.29Å; F712-F731 AromaticContact CZ-CD2 3.87Å; F712-F731 HydrophobicContact CZ-CD2 3.87Å; F712-F731 HydrophobicContact CZ-CE2 4.48Å; F712-F731 HydrophobicContact CZ-CG 4.43Å; N729-F731 PolarHBondContact O-N 2.81Å; F731-G733 VanDerWaalsContact CE2-O 3.26Å; F731-G733 WeakPolarHBondContact CE2-O 3.39Å; F731-Y734 HydrophobicContact CE1-CD1 4.29Å; F731-Y734 AromaticContact CZ-CD1 3.75Å; F731-Y734 HydrophobicContact CZ-CD1 3.75Å; F731-Y734 HydrophobicContact CZ-CG 4.23Å; F731-P757 HydrophobicContact CD1-CB 3.59Å; F731-P757 HydrophobicContact CE1-CB 3.79Å; F731-P757 HydrophobicContact CG-CB 4.5Å |
| 732 | I | 92.8 | Very high | 76.5 | Confident | 36 Ų | 36 | 89.3 Ų | 89.3 | 19% | 0.185 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -32.9 | -171.6 | -58.3 | -63.5 | 0 | 0 | 0 | 111.8 | Y667 L711 R713 Q730 P757 P901 | Y667-I732 HydrophobicContact CD1-CG1 4.34Å; Y667-I732 HydrophobicContact CE1-CD1 4.31Å; Y667-I732 HydrophobicContact CE1-CG1 4Å; L711-I732 HydrophobicContact CB-CB 4.46Å; L711-I732 HydrophobicContact CD2-CB 3.94Å; L711-I732 HydrophobicContact CD2-CG2 3.71Å; L711-I732 HydrophobicContact CG-CB 4.04Å; L711-I732 HydrophobicContact CG-CG2 4.37Å; L711-I732 WeakPolarHBondContact O-CB 3.42Å; L711-I732 PolarHBondContact O-N 3.29Å; R713-I732 HydrophobicContact CB-CD1 3.76Å; R713-I732 HydrophobicContact CB-CG1 3.85Å; Q730-I732 HydrophobicContact CG-CD1 3.97Å; I732-P757 VanDerWaalsContact O-CD 3.3Å; I732-P757 WeakPolarHBondContact O-CD 3.3Å; I732-P901 HydrophobicContact CG2-CG 4.1Å |
| 733 | G | 94.5 | Very high | 76.3 | Confident | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164 | 176.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L711 F731 Q755 | L711-G733 PolarHBondContact N-O 3.34Å; F731-G733 VanDerWaalsContact CE2-O 3.26Å; F731-G733 WeakPolarHBondContact CE2-O 3.39Å; G733-Q755 CarbonylContact C-O 3.54Å; G733-Q755 WeakPolarHBondContact CA-O 3.27Å |
| 734 | Y | 95.2 | Very high | 76.2 | Confident | 40 Ų | 40 | 81.1 Ų | 81.1 | 16% | 0.157 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 163.3 | -177.6 | 63.4 | -80.6 | 0 | 0 | 0 | 112.7 | T708 I709 N710 F731 M754 Q755 | T708-Y734 HydrophobicContact CG2-CD2 4.24Å; I709-Y734 CarbonylContact O-C 3.57Å; I709-Y734 WeakPolarHBondContact O-CA 3.38Å; N710-Y734 WeakPolarHBondContact OD1-CB 3.41Å; F731-Y734 HydrophobicContact CE1-CD1 4.29Å; F731-Y734 AromaticContact CZ-CD1 3.75Å; F731-Y734 HydrophobicContact CZ-CD1 3.75Å; F731-Y734 HydrophobicContact CZ-CG 4.23Å; Y734-M754 CarbonylContact O-C 3.46Å; Y734-M754 WeakPolarHBondContact O-CA 3.47Å; Y734-Q755 HydrophobicContact CD1-CB 4.36Å; Y734-Q755 HydrophobicContact CD2-CB 4.48Å; Y734-Q755 HydrophobicContact CE1-CB 3.92Å; Y734-Q755 HydrophobicContact CE2-CB 4.03Å; Y734-Q755 HydrophobicContact CE2-CG 4.47Å; Y734-Q755 PolarHBondContact N-O 3.08Å; Y734-Q755 PolarHBondContact O-N 2.82Å; Y734-Q755 PolarHBondContact OH-OE1 2.62Å |
| 735 | V | 94.5 | Very high | 76.3 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 5% | 0.048 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.9 | 169 | 173.2 | 0 | 0 | 0 | 0 | 107.3 | T708 I709 I737 F752 M754 | T708-V735 CarbonylContact C-O 3.59Å; T708-V735 WeakPolarHBondContact CA-O 3.49Å; I709-V735 PolarHBondContact N-O 2.88Å; I709-V735 PolarHBondContact O-N 2.91Å; V735-I737 HydrophobicContact CG1-CD1 4.04Å; V735-I737 HydrophobicContact CG1-CG1 3.88Å; V735-F752 HydrophobicContact CB-CB 4.46Å; V735-F752 HydrophobicContact CG1-CB 3.74Å; V735-F752 HydrophobicContact CG1-CD1 3.89Å; V735-F752 HydrophobicContact CG1-CG 3.95Å; V735-F752 HydrophobicContact CG2-CB 3.87Å; V735-M754 HydrophobicContact CG2-CB 4.29Å; V735-M754 HydrophobicContact CG2-CE 4.04Å; V735-M754 HydrophobicContact CG2-CG 3.88Å |
| 736 | T | 93.7 | Very high | 76.4 | Confident | 57 Ų | 57 | 71.7 Ų | 71.7 | 35% | 0.35 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.6 | 172.8 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | I706 M707 T708 | I706-T736 HydrophobicContact CB-CG2 4.34Å; M707-T736 CarbonylContact O-C 3.51Å; M707-T736 WeakPolarHBondContact O-CA 3.46Å; T708-T736 WeakPolarHBondContact OG1-CG2 3.48Å; T708-T736 PolarHBondContact OG1-OG1 2.88Å |
| 737 | I | 91.4 | Very high | 76.7 | Confident | 24 Ų | 24 | 70.4 Ų | 70.4 | 12% | 0.123 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 115.5 | -176.8 | -58.9 | -179.6 | 0 | 0 | 0 | 106.7 | M707 V735 F752 M905 I907 | M707-I737 HydrophobicContact CE-CB 4.38Å; M707-I737 HydrophobicContact CE-CD1 4.05Å; M707-I737 PolarHBondContact N-O 2.85Å; M707-I737 PolarHBondContact O-N 3.32Å; V735-I737 HydrophobicContact CG1-CD1 4.04Å; V735-I737 HydrophobicContact CG1-CG1 3.88Å; I737-F752 HydrophobicContact CD1-CD1 4.03Å; I737-F752 HydrophobicContact CD1-CE1 3.55Å; I737-F752 HydrophobicContact CD1-CE2 4.23Å; I737-F752 HydrophobicContact CD1-CZ 3.66Å; I737-F752 HydrophobicContact CG1-CD1 4.48Å; I737-F752 HydrophobicContact CG1-CE1 4.13Å; I737-M905 HydrophobicContact CD1-SD 3.99Å; I737-I907 HydrophobicContact CD1-CD1 3.34Å |
| 738 | P | 90.4 | Very high | 77.2 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 140 | 171.6 | 29.7 | -33.2 | 0 | 0 | 0 | 109.8 | ||
| 739 | L | 86.8 | Confident | 77.3 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | trans | -110.3 | 111.8 | 174.7 | -60.2 | 177.6 | 0 | 0 | 0 | 106.8 | L651 I704 S705 M707 Y909 | L651-L739 HydrophobicContact CD2-CD1 4.05Å; I704-L739 HydrophobicContact CD1-CD1 3.46Å; I704-L739 VanDerWaalsContact CD1-CD1 3.46Å; I704-L739 HydrophobicContact CG1-CD1 3.84Å; S705-L739 PolarHBondContact O-N 3.35Å; M707-L739 HydrophobicContact CB-CD1 4.07Å; M707-L739 HydrophobicContact CB-CG 4.34Å; L739-Y909 HydrophobicContact CB-CD1 4.44Å; L739-Y909 HydrophobicContact CB-CD2 4.47Å; L739-Y909 HydrophobicContact CB-CE1 4.32Å; L739-Y909 HydrophobicContact CB-CE2 4.32Å; L739-Y909 HydrophobicContact CD1-CD2 4.04Å; L739-Y909 HydrophobicContact CD1-CE2 4.17Å; L739-Y909 HydrophobicContact CD2-CD2 4.35Å; L739-Y909 HydrophobicContact CD2-CG 4.14Å | ||
| 740 | N | 74.4 | Confident | 77.2 | Confident | 90 Ų | 90 | 70.9 Ų | 70.9 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | trans | -117.1 | 145.2 | 178.1 | -69.1 | 18.3 | 0 | 0 | 0 | 108.7 | D742 S743 | N740-D742 PolarHBondContact O-N 2.88Å; N740-D742 VanDerWaalsContact O-N 3.15Å; N740-S743 WeakPolarHBondContact O-CB 3.38Å; N740-S743 PolarHBondContact O-N 2.83Å; N740-S743 PolarHBondContact O-OG 3.21Å | ||
| 741 | D | 63.9 | Low | 77.3 | Confident | 67 Ų | 67 | 70.1 Ų | 70.1 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -57.1 | -29.6 | 176.5 | -78.2 | -20.7 | 0 | 0 | 0 | 112.8 | K647 S743 Q744 T911 | K647-D741 IonicContact NZ-OD2 3.13Å; D741-S743 PolarHBondContact O-N 2.85Å; D741-S743 VanDerWaalsContact O-N 3.12Å; D741-Q744 WeakPolarHBondContact O-CG 3.46Å; D741-T911 WeakPolarHBondContact OD1-CB 3.46Å; D741-T911 PolarHBondContact OD1-OG1 3.03Å |
| 742 | D | 53 | Low | 77.3 | Confident | 151 Ų | 151 | 68.2 Ų | 68.2 | 81% | 0.807 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -63.2 | -14.6 | 175.3 | -56 | -40.2 | 0 | 0 | 0 | 114.2 | N740 Q744 | N740-D742 PolarHBondContact O-N 2.88Å; N740-D742 VanDerWaalsContact O-N 3.15Å; D742-Q744 PolarHBondContact O-N 3.45Å; D742-Q744 VanDerWaalsContact O-N 3.15Å |
| 743 | S | 48.5 | Very low | 77.4 | Confident | 44 Ų | 44 | 71.3 Ų | 71.3 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -82.2 | 21.8 | -177 | 66.9 | 0 | 0 | 0 | 0 | 114.3 | N740 D741 Q745 | N740-S743 WeakPolarHBondContact O-CB 3.38Å; N740-S743 PolarHBondContact O-N 2.83Å; N740-S743 PolarHBondContact O-OG 3.21Å; D741-S743 PolarHBondContact O-N 2.85Å; D741-S743 VanDerWaalsContact O-N 3.12Å; S743-Q745 PolarHBondContact O-N 2.71Å |
| 744 | Q | 47.8 | Very low | 77.3 | Confident | 116 Ų | 116 | 71.3 Ų | 71.3 | 54% | 0.542 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 129.4 | -175.1 | -55.4 | -164 | -3 | 0 | 0 | 112.6 | D741 D742 C746 | D741-Q744 WeakPolarHBondContact O-CG 3.46Å; D742-Q744 PolarHBondContact O-N 3.45Å; D742-Q744 VanDerWaalsContact O-N 3.15Å; Q744-C746 VanDerWaalsContact C-N 3.28Å; Q744-C746 PolarHBondContact O-N 2.85Å; Q744-C746 VanDerWaalsContact O-N 3.1Å |
| 745 | Q | 52.9 | Low | 77.2 | Confident | 96 Ų | 96 | 73.9 Ų | 73.9 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 4.7 | 165.4 | -56.3 | 179.6 | -6.1 | 0 | 0 | 118.1 | S743 E747 | S743-Q745 PolarHBondContact O-N 2.71Å; Q745-E747 PolarHBondContact O-N 2.74Å; Q745-E747 VanDerWaalsContact O-N 3.15Å |
| 746 | C | 55.1 | Low | 76.9 | Confident | 78 Ų | 78 | 76.6 Ų | 76.6 | 53% | 0.527 | 40% | 0.396 | S | S | . | . | trans | -77.9 | 101.5 | 174.6 | -74.9 | 0 | 0 | 0 | 0 | 112 | Q744 I748 | Q744-C746 VanDerWaalsContact C-N 3.28Å; Q744-C746 PolarHBondContact O-N 2.85Å; Q744-C746 VanDerWaalsContact O-N 3.1Å; C746-I748 HydrophobicContact CB-CD1 4.36Å; C746-I748 HydrophobicContact CB-CG1 4.01Å; C746-I748 PolarHBondContact O-N 3.09Å | ||
| 747 | E | 61.5 | Low | 76.5 | Confident | 95 Ų | 95 | 75.8 Ų | 75.8 | 44% | 0.444 | 39% | 0.392 | S | S | . | . | trans | -70.5 | 92.5 | 166 | -170.1 | 177.9 | 165.1 | 0 | 0 | 109.9 | Q745 Q749 I907 K945 | Q745-E747 PolarHBondContact O-N 2.74Å; Q745-E747 VanDerWaalsContact O-N 3.15Å; E747-Q749 PolarHBondContact O-N 3.32Å; E747-I907 WeakPolarHBondContact CA-O 3.31Å; E747-K945 IonicContact OE2-NZ 2.7Å; E747-K945 PolarHBondContact OE2-NZ 3.47Å | ||
| 748 | I | 69.3 | Low | 75.6 | Confident | 74 Ų | 74 | 81.2 Ų | 81.2 | 38% | 0.379 | 42% | 0.417 | S | S | . | . | trans | -88 | 89.5 | -173.7 | -60.4 | 167.4 | 0 | 0 | 0 | 110 | C746 K750 F752 M906 I907 | C746-I748 HydrophobicContact CB-CD1 4.36Å; C746-I748 HydrophobicContact CB-CG1 4.01Å; C746-I748 PolarHBondContact O-N 3.09Å; I748-K750 HydrophobicContact CG2-CB 3.61Å; I748-K750 HydrophobicContact CG2-CD 4.07Å; I748-K750 PolarHBondContact O-N 2.83Å; I748-F752 HydrophobicContact CG2-CZ 4.23Å; I748-M906 WeakPolarHBondContact O-CA 3.09Å; I748-I907 PolarHBondContact N-O 3.01Å; I748-I907 PolarHBondContact O-N 3.16Å | ||
| 749 | Q | 83.1 | Confident | 74.1 | Confident | 118 Ų | 118 | 84 Ų | 84 | 55% | 0.551 | 43% | 0.425 | S | S | * | . | trans | -79.1 | 105.1 | 161.6 | -175.5 | 173.6 | 41 | 0 | 0 | 110 | E747 M905 M906 | E747-Q749 PolarHBondContact O-N 3.32Å; Q749-M905 WeakPolarHBondContact CA-O 3.42Å; Q749-M906 HydrophobicContact CB-CG 3.78Å; Q749-M906 HydrophobicContact CB-SD 3.94Å; Q749-M906 HydrophobicContact CG-CG 3.76Å; Q749-M906 HydrophobicContact CG-SD 3.94Å | ||
| 750 | K | 88.5 | Confident | 71.9 | Confident | 122 Ų | 122 | 88.3 Ų | 88.3 | 53% | 0.53 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 152.8 | -173.4 | -170.7 | 173.4 | 178.3 | -179 | 0 | 113.3 | I748 F752 R904 M905 | I748-K750 HydrophobicContact CG2-CB 3.61Å; I748-K750 HydrophobicContact CG2-CD 4.07Å; I748-K750 PolarHBondContact O-N 2.83Å; K750-F752 HydrophobicContact CB-CD2 4.4Å; K750-F752 HydrophobicContact CB-CE2 3.75Å; K750-F752 HydrophobicContact CB-CZ 4.06Å; K750-F752 HydrophobicContact CD-CE1 4.41Å; K750-F752 HydrophobicContact CD-CZ 4.2Å; K750-F752 HydrophobicContact CG-CE2 4.3Å; K750-F752 HydrophobicContact CG-CZ 4.39Å; K750-F752 WeakPolarHBondContact O-CD2 3.42Å; K750-R904 WeakPolarHBondContact O-CA 3.35Å; K750-M905 PolarHBondContact N-O 2.84Å; K750-M905 PolarHBondContact O-N 2.84Å; K750-M905 VanDerWaalsContact O-N 3.17Å |
| 751 | W | 92.6 | Very high | 70.1 | Confident | 83 Ų | 83 | 88.2 Ų | 88.2 | 31% | 0.314 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122 | 165.7 | -74 | 96.9 | 0 | 0 | 0 | 110.2 | E657 K659 Q902 R904 | E657-W751 HydrophobicContact CG-CH2 3.64Å; E657-W751 HydrophobicContact CG-CZ2 4.23Å; E657-W751 HydrophobicContact CG-CZ3 4.29Å; E657-W751 WeakPolarHBondContact OE1-CH2 3.39Å; E657-W751 VanDerWaalsContact OE1-CZ2 3.23Å; E657-W751 WeakPolarHBondContact OE1-CZ2 3.05Å; K659-W751 HydrophobicContact CB-CH2 4.46Å; K659-W751 HydrophobicContact CB-CZ3 4.42Å; K659-W751 HydrophobicContact CD-CE3 4.32Å; K659-W751 HydrophobicContact CD-CH2 3.64Å; K659-W751 HydrophobicContact CD-CZ2 4.31Å; K659-W751 HydrophobicContact CD-CZ3 3.66Å; K659-W751 HydrophobicContact CG-CH2 4.06Å; K659-W751 HydrophobicContact CG-CZ3 3.74Å; W751-Q902 HydrophobicContact CE3-CB 3.94Å; W751-Q902 HydrophobicContact CZ3-CB 4.34Å; W751-Q902 WeakPolarHBondContact CZ3-O 3.38Å; W751-R904 HydrophobicContact CD2-CB 3.78Å; W751-R904 HydrophobicContact CD2-CG 4.24Å; W751-R904 HydrophobicContact CE3-CB 3.77Å; W751-R904 HydrophobicContact CG-CB 4.4Å; W751-R904 HydrophobicContact CG-CG 4.47Å; W751-R904 HydrophobicContact CH2-CB 4.11Å; W751-R904 HydrophobicContact CZ2-CB 4.12Å; W751-R904 HydrophobicContact CZ3-CB 3.93Å |
| 752 | F | 93.4 | Very high | 68.7 | Low | 34 Ų | 34 | 90.8 Ų | 90.8 | 15% | 0.149 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.9 | 173.8 | -62.8 | -95.5 | 0 | 0 | 0 | 109.5 | V735 I737 I748 K750 Q902 L903 M905 I907 | V735-F752 HydrophobicContact CB-CB 4.46Å; V735-F752 HydrophobicContact CG1-CB 3.74Å; V735-F752 HydrophobicContact CG1-CD1 3.89Å; V735-F752 HydrophobicContact CG1-CG 3.95Å; V735-F752 HydrophobicContact CG2-CB 3.87Å; I737-F752 HydrophobicContact CD1-CD1 4.03Å; I737-F752 HydrophobicContact CD1-CE1 3.55Å; I737-F752 HydrophobicContact CD1-CE2 4.23Å; I737-F752 HydrophobicContact CD1-CZ 3.66Å; I737-F752 HydrophobicContact CG1-CD1 4.48Å; I737-F752 HydrophobicContact CG1-CE1 4.13Å; I748-F752 HydrophobicContact CG2-CZ 4.23Å; K750-F752 HydrophobicContact CB-CD2 4.4Å; K750-F752 HydrophobicContact CB-CE2 3.75Å; K750-F752 HydrophobicContact CB-CZ 4.06Å; K750-F752 HydrophobicContact CD-CE1 4.41Å; K750-F752 HydrophobicContact CD-CZ 4.2Å; K750-F752 HydrophobicContact CG-CE2 4.3Å; K750-F752 HydrophobicContact CG-CZ 4.39Å; K750-F752 WeakPolarHBondContact O-CD2 3.42Å; F752-Q902 CarbonylContact O-C 3.56Å; F752-Q902 VanDerWaalsContact O-CA 3.27Å; F752-Q902 WeakPolarHBondContact O-CA 3.41Å; F752-L903 PolarHBondContact N-O 2.82Å; F752-L903 PolarHBondContact O-N 3.19Å; F752-M905 HydrophobicContact CD2-CE 4.03Å; F752-M905 HydrophobicContact CD2-CG 3.68Å; F752-M905 HydrophobicContact CD2-SD 3.83Å; F752-M905 HydrophobicContact CE2-CG 3.5Å; F752-M905 VanDerWaalsContact CE2-CG 3.5Å; F752-M905 HydrophobicContact CE2-SD 3.82Å; F752-I907 HydrophobicContact CE2-CD1 4.36Å; F752-I907 HydrophobicContact CZ-CD1 4.17Å |
| 753 | I | 94.3 | Very high | 67.8 | Low | 100 Ų | 100 | 89 Ų | 89 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 127.9 | 172.3 | -55 | 177.8 | 0 | 0 | 0 | 107.3 | L900 Q902 | I753-L900 HydrophobicContact CG2-CB 3.89Å; I753-L900 HydrophobicContact CG2-CD1 4Å; I753-Q902 HydrophobicContact CG1-CG 4.16Å |
| 754 | M | 93.4 | Very high | 67 | Low | 2 Ų | 2 | 93 Ų | 93 | 1% | 0.01 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 133.3 | -180 | -53 | -155.9 | 75.9 | 0 | 0 | 110.5 | L711 Y734 V735 P901 L903 | L711-M754 HydrophobicContact CB-CE 3.57Å; L711-M754 HydrophobicContact CB-SD 3.69Å; L711-M754 HydrophobicContact CD2-SD 3.71Å; L711-M754 HydrophobicContact CG-SD 4.31Å; Y734-M754 CarbonylContact O-C 3.46Å; Y734-M754 WeakPolarHBondContact O-CA 3.47Å; V735-M754 HydrophobicContact CG2-CB 4.29Å; V735-M754 HydrophobicContact CG2-CE 4.04Å; V735-M754 HydrophobicContact CG2-CG 3.88Å; M754-P901 HydrophobicContact CB-CB 4.15Å; M754-P901 WeakPolarHBondContact CB-O 3.49Å; M754-P901 HydrophobicContact CG-CB 4.06Å; M754-P901 WeakPolarHBondContact CG-O 3.3Å; M754-P901 PolarHBondContact N-O 2.98Å; M754-P901 HydrophobicContact SD-CB 4.14Å; M754-L903 HydrophobicContact CE-CD2 4.1Å; M754-L903 HydrophobicContact CG-CB 4.19Å; M754-L903 HydrophobicContact SD-CB 4.09Å; M754-L903 HydrophobicContact SD-CD2 4.38Å |
| 755 | Q | 92.1 | Very high | 66.2 | Low | 94 Ų | 94 | 95.5 Ų | 95.5 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | B | Isolated β-bridge | trans | -75.5 | 134.4 | 171.3 | -61.6 | -176.8 | 6.2 | 0 | 0 | 108.8 | G733 Y734 | G733-Q755 CarbonylContact C-O 3.54Å; G733-Q755 WeakPolarHBondContact CA-O 3.27Å; Y734-Q755 HydrophobicContact CD1-CB 4.36Å; Y734-Q755 HydrophobicContact CD2-CB 4.48Å; Y734-Q755 HydrophobicContact CE1-CB 3.92Å; Y734-Q755 HydrophobicContact CE2-CB 4.03Å; Y734-Q755 HydrophobicContact CE2-CG 4.47Å; Y734-Q755 PolarHBondContact N-O 3.08Å; Y734-Q755 PolarHBondContact O-N 2.82Å; Y734-Q755 PolarHBondContact OH-OE1 2.62Å |
| 756 | P | 89.1 | Confident | 65 | Low | 65 Ų | 65 | 97.6 Ų | 97.6 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 155.1 | 175.1 | 29.5 | -35 | 0 | 0 | 0 | 110.7 | Q758 | P756-Q758 PolarHBondContact O-N 2.93Š|
| 757 | P | 84.8 | Confident | 63.6 | Low | 39 Ų | 39 | 101.6 Ų | 101.6 | 25% | 0.253 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 129.9 | 173.9 | 26.2 | -35.2 | 0 | 0 | 0 | 110.7 | F731 I732 I759 | F731-P757 HydrophobicContact CD1-CB 3.59Å; F731-P757 HydrophobicContact CE1-CB 3.79Å; F731-P757 HydrophobicContact CG-CB 4.5Å; I732-P757 VanDerWaalsContact O-CD 3.3Å; I732-P757 WeakPolarHBondContact O-CD 3.3Å; P757-I759 PolarHBondContact O-N 2.84Å |
| 758 | Q | 73 | Confident | 62 | Low | 139 Ų | 139 | 104.2 Ų | 104.2 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | trans | -71.6 | 92.9 | 174.7 | -57.3 | -61.8 | -13.9 | 0 | 0 | 109.4 | P756 N760 | P756-Q758 PolarHBondContact O-N 2.93Å; Q758-N760 PolarHBondContact O-N 3.02Å | ||
| 759 | I | 58.1 | Low | 60 | Low | 144 Ų | 144 | 108.1 Ų | 108.1 | 74% | 0.738 | 55% | 0.548 | S | S | * | . | trans | -77.1 | 104.7 | 171.8 | -58.1 | 173.1 | 0 | 0 | 0 | 107.2 | P757 S761 | P757-I759 PolarHBondContact O-N 2.84Å; I759-S761 VanDerWaalsContact C-N 3.31Å; I759-S761 PolarHBondContact O-N 2.87Å | ||
| 760 | N | 41 | Very low | 57.3 | Low | 103 Ų | 103 | 110.9 Ų | 110.9 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | trans | -63.9 | 88.2 | 172.5 | -80.3 | -20.4 | 0 | 0 | 0 | 110.5 | Q758 N762 | Q758-N760 PolarHBondContact O-N 3.02Å; N760-N762 PolarHBondContact O-N 3.21Å | ||
| 761 | S | 37.3 | Very low | 54.3 | Low | 89 Ų | 89 | 111.7 Ų | 111.7 | 62% | 0.622 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -71.9 | -0.4 | 177 | 49.4 | 0 | 0 | 0 | 0 | 114.2 | I759 L763 | I759-S761 VanDerWaalsContact C-N 3.31Å; I759-S761 PolarHBondContact O-N 2.87Å; S761-L763 VanDerWaalsContact C-N 3.29Å; S761-L763 PolarHBondContact O-N 3.17Å |
| 762 | N | 33.1 | Very low | 50.9 | Low | 121 Ų | 121 | 113.9 Ų | 113.9 | 65% | 0.647 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -77.3 | -3.5 | -177.8 | -72.7 | -7.6 | 0 | 0 | 0 | 115 | N760 N764 F765 | N760-N762 PolarHBondContact O-N 3.21Å; N762-N764 VanDerWaalsContact C-N 3.28Å; N762-N764 PolarHBondContact O-N 3.28Å; N762-F765 PolarHBondContact O-N 2.98Å |
| 763 | L | 34.8 | Very low | 47.7 | Very low | 112 Ų | 112 | 120 Ų | 120 | 59% | 0.586 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -74.5 | -13.5 | 172.7 | -74.4 | -175.7 | 0 | 0 | 0 | 114.2 | S761 W850 | S761-L763 VanDerWaalsContact C-N 3.29Å; S761-L763 PolarHBondContact O-N 3.17Å; L763-W850 HydrophobicContact CD1-CH2 4.44Å |
| 764 | N | 31.7 | Very low | 44.4 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 70% | 0.695 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -88.4 | -1 | 174.8 | -72.7 | 15.5 | 0 | 0 | 0 | 114 | N762 | N762-N764 VanDerWaalsContact C-N 3.28Å; N762-N764 PolarHBondContact O-N 3.28Å |
| 765 | F | 30 | Very low | 41 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 74% | 0.737 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -16.8 | 174.7 | -95.6 | -81.5 | 0 | 0 | 0 | 113.9 | N762 | N762-F765 PolarHBondContact O-N 2.98Š|
| 766 | L | 28.9 | Very low | 37.8 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 73% | 0.728 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -86.5 | -19.9 | -179.6 | -140.8 | 79.6 | 0 | 0 | 0 | 113.5 | ||
| 767 | E | 26.4 | Very low | 34.6 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 76% | 0.757 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -15.9 | -175.1 | -154.9 | 161.6 | -145.5 | 0 | 0 | 113.3 | ||
| 768 | N | 28 | Very low | 31.6 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 18.1 | 180 | -78.3 | -28.7 | 0 | 0 | 0 | 114.6 | ||
| 769 | L | 26.8 | Very low | 29.2 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -122.9 | 13.5 | 178.8 | -106.1 | 156.3 | 0 | 0 | 0 | 113.9 | ||
| 770 | Q | 26.5 | Very low | 27.5 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -115.7 | 29.5 | -179.8 | -150.1 | 178.8 | -64.2 | 0 | 0 | 114.5 | ||
| 771 | V | 24.3 | Very low | 26.6 | Very low | 139 Ų | 139 | 148 Ų | 148 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | trans | -141.5 | 89.9 | 161.8 | -169.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 772 | C | 21.8 | Very low | 25.8 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -147.2 | 129.7 | 141 | -166 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 773 | H | 27 | Very low | 25.5 | Very low | 163 Ų | 163 | 150 Ų | 150 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -81.1 | 160.5 | -168.4 | -95.7 | -51.1 | 0 | 0 | 0 | 113.8 | Q775 | H773-Q775 PolarHBondContact O-N 3.06Š| ||
| 774 | Q | 23.6 | Very low | 24.9 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -32.3 | 121 | 150.2 | -61.8 | 160 | -14.3 | 0 | 0 | 112.3 | ||||
| 775 | Q | 22.3 | Very low | 24.5 | Very low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 172.9 | 93.5 | 139.6 | -97.8 | 168.8 | 46.4 | 0 | 0 | 110.8 | H773 | H773-Q775 PolarHBondContact O-N 3.06Š| ||
| 776 | H | 25.8 | Very low | 24.2 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | -168.6 | 145.3 | 112 | -105.6 | 67.1 | 0 | 0 | 0 | 111.6 | |||||
| 777 | Q | 21.3 | Very low | 23.8 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -94.5 | 148.9 | 175.8 | -61 | 159.3 | -18.2 | 0 | 0 | 108.9 | ||||
| 778 | Q | 22.8 | Very low | 23.6 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | 152.6 | 152.1 | 120.2 | -81.6 | -179.8 | 30.6 | 0 | 0 | 113.3 | |||||
| 779 | Q | 22.8 | Very low | 23.2 | Very low | 162 Ų | 162 | 149 Ų | 149 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | 69.8 | 94.6 | 163.9 | -73.5 | 168.9 | 8.1 | 0 | 0 | 116.6 | ||||
| 780 | T | 20.9 | Very low | 23 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | 85.4 | 104.2 | 79.8 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 781 | D | 21.9 | Very low | 22.8 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | -171 | 157.7 | 89 | -102.4 | -34.4 | 0 | 0 | 0 | 115.1 | |||||
| 782 | T | 22.1 | Very low | 22.8 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | trans | -25 | 127.6 | 176.7 | 56.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 783 | N | 25.8 | Very low | 22.9 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | -178.2 | 113.6 | 109.1 | -93.1 | -44.7 | 0 | 0 | 0 | 114.8 | |||||
| 784 | Q | 23.2 | Very low | 22.8 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | 46.5 | 91.8 | 144 | -55.4 | -172.3 | 14.4 | 0 | 0 | 120.4 | ||||
| 785 | T | 22.4 | Very low | 22.8 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -34.2 | 155.7 | 139.4 | 47 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 786 | P | 23 | Very low | 22.9 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -138.4 | 118.4 | 37.2 | 35.9 | -15.5 | 0 | 0 | 0 | 117.2 | ||||
| 787 | S | 21.6 | Very low | 22.7 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -104 | 121.1 | 146 | 51.9 | 0 | 0 | 0 | 0 | 108.4 | N789 | S787-N789 PolarHBondContact O-N 2.81Š| ||
| 788 | I | 22.3 | Very low | 23 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -71.7 | 120.2 | -174.9 | -68.8 | 171 | 0 | 0 | 0 | 109.6 | ||||
| 789 | N | 19.6 | Very low | 22.9 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -91 | 167.4 | 174.1 | -110 | -25.2 | 0 | 0 | 0 | 111.4 | S787 | S787-N789 PolarHBondContact O-N 2.81Š| ||
| 790 | S | 22.5 | Very low | 23.1 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 71.9 | 152.3 | 167.7 | 90.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 791 | S | 22.6 | Very low | 23.2 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | cis | 172.2 | 169 | -22.7 | 57.9 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 792 | T | 24.2 | Very low | 23.4 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | 68.3 | 126.7 | 171.7 | 69.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 793 | G | 23.1 | Very low | 23.6 | Very low | 76 Ų | 76 | 143.3 Ų | 143.3 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -82.5 | 176.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 794 | V | 25.7 | Very low | 23.7 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -159.7 | 144.1 | 134.5 | 140.2 | 0 | 0 | 0 | 0 | 107 | G796 | V794-G796 PolarHBondContact O-N 3.23Š| ||
| 795 | S | 23.1 | Very low | 23.8 | Very low | 130 Ų | 130 | 138 Ų | 138 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -64 | 94.3 | 176.4 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 796 | G | 25.1 | Very low | 23.9 | Very low | 69 Ų | 69 | 137.4 Ų | 137.4 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -104.8 | 93.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V794 L798 | V794-G796 PolarHBondContact O-N 3.23Å; G796-L798 PolarHBondContact O-N 3.42Å; G796-L798 VanDerWaalsContact O-N 3.08Å | ||
| 797 | R | 21.7 | Very low | 24 | Very low | 225 Ų | 225 | 137.2 Ų | 137.2 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | trans | -76.3 | 89.5 | -177.7 | -170.8 | -169.5 | -159.2 | -175.1 | 8.5 | 111.8 | ||||
| 798 | L | 26.2 | Very low | 24 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -111 | 114.3 | 170.8 | -79.5 | 172.3 | 0 | 0 | 0 | 112.4 | G796 | G796-L798 PolarHBondContact O-N 3.42Å; G796-L798 VanDerWaalsContact O-N 3.08Å | ||
| 799 | R | 21.6 | Very low | 24 | Very low | 216 Ų | 216 | 136.6 Ų | 136.6 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | -78.8 | 121.4 | 163.8 | -64.2 | 173.5 | 179.8 | 154.1 | -4.7 | 108.5 | ||||
| 800 | K | 25.7 | Very low | 24 | Very low | 197 Ų | 197 | 140.3 Ų | 140.3 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -138.8 | 136.4 | 148.5 | -75.5 | -165.5 | 177 | -178.9 | 0 | 108.5 | ||||
| 801 | H | 24.1 | Very low | 24 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | trans | -69.3 | 133.7 | 176.9 | -68.8 | -109.1 | 0 | 0 | 0 | 109.3 | ||||
| 802 | S | 25.9 | Very low | 23.9 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -124.6 | 131.6 | 159 | 48.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 803 | I | 27.1 | Very low | 23.8 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 140.2 | -179.5 | -65.6 | 167.5 | 0 | 0 | 0 | 107.6 | A805 | I803-A805 PolarHBondContact O-N 2.8Š|
| 804 | P | 26.4 | Very low | 23.7 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 121.4 | -178.1 | 26.7 | -34.5 | 0 | 0 | 0 | 111 | S806 | P804-S806 PolarHBondContact O-N 3.07Š|
| 805 | A | 25.5 | Very low | 23.4 | Very low | 88 Ų | 88 | 145.6 Ų | 145.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 122.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I803 C807 | I803-A805 PolarHBondContact O-N 2.8Å; A805-C807 PolarHBondContact O-N 2.82Å |
| 806 | S | 25.2 | Very low | 23.3 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -74.3 | 104.3 | 169.6 | 42.6 | 0 | 0 | 0 | 0 | 110.4 | P804 | P804-S806 PolarHBondContact O-N 3.07Š| ||
| 807 | C | 25.1 | Very low | 23.1 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -103.5 | 62.2 | 174.3 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | A805 G809 | A805-C807 PolarHBondContact O-N 2.82Å; C807-G809 PolarHBondContact O-N 3.43Å | ||
| 808 | F | 20.8 | Very low | 23.1 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -69.4 | 116.8 | 157.1 | -90.5 | -92.8 | 0 | 0 | 0 | 107.6 | ||||
| 809 | G | 22.8 | Very low | 22.8 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -140.9 | 63.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | C807 S811 | C807-G809 PolarHBondContact O-N 3.43Å; G809-S811 PolarHBondContact O-N 2.87Å | ||
| 810 | Y | 19 | Very low | 22.7 | Very low | 220 Ų | 220 | 139 Ų | 139 | 86% | 0.863 | 79% | 0.788 | S | S | * | * | trans | -71.7 | 120.7 | 164.2 | -83 | -89.8 | 0 | 0 | 0 | 108.9 | ||||
| 811 | S | 23.4 | Very low | 22.5 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -133.1 | 118.9 | 165.1 | 42.4 | 0 | 0 | 0 | 0 | 110.2 | G809 | G809-S811 PolarHBondContact O-N 2.87Š| ||
| 812 | N | 19.5 | Very low | 22.3 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -76.5 | 163.6 | 173.9 | -76.4 | -32.6 | 0 | 0 | 0 | 111.4 | ||||
| 813 | S | 22.2 | Very low | 22 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 111.1 | 98 | 149.3 | -52.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 814 | F | 21 | Very low | 21.6 | Very low | 199 Ų | 199 | 139.1 Ų | 139.1 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | 55.5 | 116.9 | 127.1 | -75.9 | -79.4 | 0 | 0 | 0 | 122.7 | |||||
| 815 | S | 20.1 | Very low | 21.4 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | 61.3 | 96.1 | 134.2 | 64.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 816 | I | 22 | Very low | 21.1 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -129.8 | 117.2 | 136.8 | -63.3 | -177.4 | 0 | 0 | 0 | 108.7 | ||||
| 817 | I | 19.2 | Very low | 20.8 | Very low | 167 Ų | 167 | 143 Ų | 143 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -106.5 | 123.4 | 157.8 | -69.9 | 169.9 | 0 | 0 | 0 | 104.2 | ||||
| 818 | P | 22.1 | Very low | 20.8 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 60% | 0.597 | 79% | 0.794 | S | S | * | * | -147.4 | 154.7 | 109.7 | 38.4 | -23.1 | 0 | 0 | 0 | 117.1 | |||||
| 819 | N | 20.1 | Very low | 20.7 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | 67.4 | 98.6 | 144.3 | -63.6 | -6.8 | 0 | 0 | 0 | 120.4 | ||||
| 820 | S | 19.2 | Very low | 20.7 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -46.7 | 129.4 | 140.4 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 821 | Q | 21.2 | Very low | 20.9 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -130.7 | 133.7 | 144.8 | -76.1 | -166 | -14.7 | 0 | 0 | 109.9 | ||||
| 822 | Y | 19.8 | Very low | 20.9 | Very low | 207 Ų | 207 | 146.3 Ų | 146.3 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -79.9 | 136.5 | 176.7 | -71.8 | -107.5 | 0 | 0 | 0 | 110.1 | ||||
| 823 | T | 21 | Very low | 21 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -140.5 | 108.1 | 137.4 | 47.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 824 | T | 18.1 | Very low | 21.2 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -74.1 | 124.8 | 163.5 | 47.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 825 | N | 21.4 | Very low | 21.1 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 91% | 0.914 | 78% | 0.783 | S | S | * | * | trans | -121.5 | 116.2 | 163.9 | -128.2 | 6.8 | 0 | 0 | 0 | 110 | ||||
| 826 | S | 19 | Very low | 21.3 | Very low | 87 Ų | 87 | 150 Ų | 150 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | trans | -110.6 | 155.4 | -178 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 827 | N | 20.4 | Very low | 21.2 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | 78.7 | 106.2 | 172.2 | -47.8 | -28.1 | 0 | 0 | 0 | 115.3 | ||||
| 828 | N | 24.1 | Very low | 21.1 | Very low | 174 Ų | 174 | 151.5 Ų | 151.5 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | -145.3 | 150 | 104.7 | -98.5 | -26.5 | 0 | 0 | 0 | 110.9 | |||||
| 829 | K | 19.7 | Very low | 21.2 | Very low | 190 Ų | 190 | 154.8 Ų | 154.8 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -151.3 | 125.9 | -171.9 | 171.3 | -167.8 | -178.1 | -170.4 | 0 | 105.5 | ||||
| 830 | L | 22.5 | Very low | 21.2 | Very low | 157 Ų | 157 | 156.5 Ų | 156.5 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 172.6 | 148.5 | 150.2 | -95.1 | 155.6 | 0 | 0 | 0 | 112.1 | ||||
| 831 | N | 23.1 | Very low | 21.4 | Very low | 122 Ų | 122 | 159.9 Ų | 159.9 | 65% | 0.652 | 81% | 0.805 | S | S | * | * | trans | 80.9 | 88.9 | 153.9 | -59.4 | 1.8 | 0 | 0 | 0 | 121.1 | ||||
| 832 | D | 23.1 | Very low | 21.4 | Very low | 132 Ų | 132 | 159.3 Ų | 159.3 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | 66 | 126.5 | 103.3 | -54.3 | -4.8 | 0 | 0 | 0 | 122.3 | |||||
| 833 | D | 22.4 | Very low | 21.7 | Very low | 142 Ų | 142 | 157.6 Ų | 157.6 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | 54 | 106.8 | 138.2 | -57.6 | -13.8 | 0 | 0 | 0 | 120.4 | ||||
| 834 | N | 25.7 | Very low | 21.9 | Very low | 164 Ų | 164 | 155.4 Ų | 155.4 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | -157.4 | 125.6 | 121.4 | -105 | -68 | 0 | 0 | 0 | 112.5 | |||||
| 835 | E | 19.2 | Very low | 22.3 | Very low | 158 Ų | 158 | 159.7 Ų | 159.7 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | -88 | 114.6 | 177.9 | -178 | -167.9 | 175.8 | 0 | 0 | 110 | ||||
| 836 | L | 24.7 | Very low | 22.5 | Very low | 172 Ų | 172 | 160.7 Ų | 160.7 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | -130.9 | 123.4 | 168.6 | -88.2 | 175.6 | 0 | 0 | 0 | 113.6 | ||||
| 837 | K | 19.6 | Very low | 22.7 | Very low | 158 Ų | 158 | 166 Ų | 166 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | trans | -77.1 | 143 | -177.8 | -83.6 | 169.6 | -178.2 | 161.1 | 0 | 112.4 | ||||
| 838 | Y | 18.1 | Very low | 23 | Very low | 205 Ų | 205 | 164.4 Ų | 164.4 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 48 | 119.3 | 150 | -76.5 | -103.3 | 0 | 0 | 0 | 118.5 | ||||
| 839 | N | 22.3 | Very low | 23 | Very low | 161 Ų | 161 | 160.9 Ų | 160.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | -162.7 | 154.5 | 102.9 | -102.5 | -47.4 | 0 | 0 | 0 | 115 | |||||
| 840 | H | 21 | Very low | 23.2 | Very low | 178 Ų | 178 | 161.1 Ų | 161.1 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -84.1 | 105.9 | -170.6 | -179.3 | -78.4 | 0 | 0 | 0 | 111.2 | ||||
| 841 | M | 22.8 | Very low | 23.2 | Very low | 175 Ų | 175 | 159.8 Ų | 159.8 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | trans | -118.5 | 128.6 | 173.5 | -162 | 82.7 | 81.1 | 0 | 0 | 111.4 | L843 | M841-L843 PolarHBondContact O-N 3.4Š| ||
| 842 | E | 22 | Very low | 23.4 | Very low | 179 Ų | 179 | 157.9 Ų | 157.9 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -79.8 | 92.7 | -167.8 | -171.6 | 176.2 | -166.7 | 0 | 0 | 112.6 | S844 | E842-S844 PolarHBondContact O-N 3.5Š| ||
| 843 | L | 25.8 | Very low | 23.4 | Very low | 171 Ų | 171 | 155.1 Ų | 155.1 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -88.1 | 107.2 | 175.7 | -92 | 165.5 | 0 | 0 | 0 | 112.5 | M841 K845 | M841-L843 PolarHBondContact O-N 3.4Å; L843-K845 PolarHBondContact O-N 3.05Å | ||
| 844 | S | 25.9 | Very low | 23.5 | Very low | 98 Ų | 98 | 154 Ų | 154 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 121.6 | -176.6 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | E842 K846 | E842-S844 PolarHBondContact O-N 3.5Å; S844-K846 PolarHBondContact O-N 3.48Å; S844-K846 VanDerWaalsContact O-N 3.09Å | ||
| 845 | K | 25.9 | Very low | 23.5 | Very low | 213 Ų | 213 | 151.7 Ų | 151.7 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | 25.6 | 73.6 | 142.3 | -60.8 | 177.7 | -177.4 | 172.8 | 0 | 116.7 | L843 | L843-K845 PolarHBondContact O-N 3.05Š| ||
| 846 | K | 25.1 | Very low | 23.8 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -100 | 111.9 | 151.8 | -77.1 | -175.2 | 177.8 | 176.9 | 0 | 109.2 | S844 C848 | S844-K846 PolarHBondContact O-N 3.48Å; S844-K846 VanDerWaalsContact O-N 3.09Å; K846-C848 PolarHBondContact O-N 2.89Å | ||
| 847 | K | 24.2 | Very low | 23.8 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | -62.2 | 98.7 | 170.4 | -78.9 | 179.6 | 171.6 | 179.4 | 0 | 108.5 | S849 | K847-S849 PolarHBondContact O-N 2.88Š| ||
| 848 | C | 25 | Very low | 24 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -70.2 | 118.9 | 162.4 | -67.4 | 0 | 0 | 0 | 0 | 108 | K846 | K846-C848 PolarHBondContact O-N 2.89Š| ||
| 849 | S | 24.6 | Very low | 24.3 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -66.7 | 127.3 | 171.8 | 45.8 | 0 | 0 | 0 | 0 | 109.8 | K847 T851 | K847-S849 PolarHBondContact O-N 2.88Å; S849-T851 VanDerWaalsContact C-N 3.3Å; S849-T851 PolarHBondContact O-N 3.05Å | ||
| 850 | W | 23.5 | Very low | 24.4 | Very low | 195 Ų | 195 | 145 Ų | 145 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -72.4 | 83.3 | 173 | -70.9 | 94.4 | 0 | 0 | 0 | 110.8 | L763 A852 | L763-W850 HydrophobicContact CD1-CH2 4.44Å; W850-A852 VanDerWaalsContact C-N 3.29Å; W850-A852 PolarHBondContact O-N 3.24Å; W850-A852 VanDerWaalsContact O-N 3.14Å | ||
| 851 | T | 24.2 | Very low | 24.5 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -75.7 | 86.9 | 156.4 | 48.7 | 0 | 0 | 0 | 0 | 107.9 | S849 G853 | S849-T851 VanDerWaalsContact C-N 3.3Å; S849-T851 PolarHBondContact O-N 3.05Å; T851-G853 PolarHBondContact O-N 3.3Å | ||
| 852 | A | 27.1 | Very low | 24.5 | Very low | 81 Ų | 81 | 144.5 Ų | 144.5 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | trans | -70.1 | 99.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | W850 V854 | W850-A852 VanDerWaalsContact C-N 3.29Å; W850-A852 PolarHBondContact O-N 3.24Å; W850-A852 VanDerWaalsContact O-N 3.14Å; A852-V854 PolarHBondContact O-N 3.23Å; A852-V854 VanDerWaalsContact O-N 3.11Å | ||
| 853 | G | 23.2 | Very low | 24.5 | Very low | 74 Ų | 74 | 141.7 Ų | 141.7 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | -64 | 108.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | T851 T855 | T851-G853 PolarHBondContact O-N 3.3Å; G853-T855 PolarHBondContact O-N 2.79Å | ||
| 854 | V | 24.7 | Very low | 24.3 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | -87.8 | 97.2 | 170.6 | -179 | 0 | 0 | 0 | 0 | 107.2 | A852 T856 | A852-V854 PolarHBondContact O-N 3.23Å; A852-V854 VanDerWaalsContact O-N 3.11Å; V854-T856 HydrophobicContact CG1-CG2 3.99Å; V854-T856 PolarHBondContact O-N 2.82Å; V854-T856 VanDerWaalsContact O-N 3.09Å | ||
| 855 | T | 24.7 | Very low | 24.1 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -69.5 | 100.9 | 166.1 | 47.3 | 0 | 0 | 0 | 0 | 108.2 | G853 D857 | G853-T855 PolarHBondContact O-N 2.79Å; T855-D857 PolarHBondContact O-N 3.45Å | ||
| 856 | T | 24.5 | Very low | 23.9 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | trans | -77.1 | 73.9 | 176.4 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | V854 S858 | V854-T856 HydrophobicContact CG1-CG2 3.99Å; V854-T856 PolarHBondContact O-N 2.82Å; V854-T856 VanDerWaalsContact O-N 3.09Å; T856-S858 PolarHBondContact O-N 3.13Å | ||
| 857 | D | 24.8 | Very low | 23.9 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | -75 | 72.1 | 173.9 | -73.2 | -23.2 | 0 | 0 | 0 | 110.6 | T855 N859 | T855-D857 PolarHBondContact O-N 3.45Å; D857-N859 PolarHBondContact O-N 3.18Å | ||
| 858 | S | 24.9 | Very low | 23.7 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -75.4 | 65.4 | 174.6 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | T856 | T856-S858 PolarHBondContact O-N 3.13Š| ||
| 859 | N | 24.8 | Very low | 23.6 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -136.8 | 52.9 | 173.3 | -102.9 | -36.7 | 0 | 0 | 0 | 113.3 | D857 N861 | D857-N859 PolarHBondContact O-N 3.18Å; N859-N861 VanDerWaalsContact C-N 3.29Å; N859-N861 PolarHBondContact O-N 2.82Å; N859-N861 VanDerWaalsContact O-N 3.09Å | ||
| 860 | F | 23.8 | Very low | 23.4 | Very low | 211 Ų | 211 | 136.8 Ų | 136.8 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | trans | -78.5 | 78.8 | 160.8 | -91.4 | -83.4 | 0 | 0 | 0 | 110.6 | ||||
| 861 | N | 24.1 | Very low | 23.4 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -129.8 | 142.8 | 160.1 | -112.6 | -34.4 | 0 | 0 | 0 | 112.1 | N859 T863 | N859-N861 VanDerWaalsContact C-N 3.29Å; N859-N861 PolarHBondContact O-N 2.82Å; N859-N861 VanDerWaalsContact O-N 3.09Å; N861-T863 PolarHBondContact O-N 3.47Å | ||
| 862 | K | 22 | Very low | 23.2 | Very low | 195 Ų | 195 | 131 Ų | 131 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | -63.7 | 116.4 | -168.8 | -62.8 | 158.8 | -179.3 | 162.9 | 0 | 111.1 | ||||
| 863 | T | 21.7 | Very low | 22.9 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | 170.4 | 117 | 125.8 | 41.4 | 0 | 0 | 0 | 0 | 110.7 | N861 | N861-T863 PolarHBondContact O-N 3.47Š| |||
| 864 | N | 22.3 | Very low | 22.9 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | -173.1 | 143.8 | 105.6 | -97.5 | -34.3 | 0 | 0 | 0 | 114.3 | |||||
| 865 | K | 21.5 | Very low | 22.7 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 61% | 0.609 | 77% | 0.765 | S | S | * | * | trans | -87.1 | 145.4 | 169.9 | -109.9 | 176.3 | 179.6 | 174.7 | 0 | 108.5 | ||||
| 866 | I | 21.7 | Very low | 22.7 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 67% | 0.672 | 77% | 0.773 | S | S | * | * | trans | 66.1 | 100.7 | 152.3 | -52.2 | 157.3 | 0 | 0 | 0 | 115.8 | ||||
| 867 | I | 24.5 | Very low | 22.6 | Very low | 152 Ų | 152 | 136 Ų | 136 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | -127.2 | 81.3 | 122.6 | -57.5 | -175.5 | 0 | 0 | 0 | 107.9 | K869 | I867-K869 HydrophobicContact CG2-CD 4.3Å; I867-K869 HydrophobicContact CG2-CG 3.81Å | |||
| 868 | S | 20.4 | Very low | 22.5 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | -92.1 | 90.9 | 158.2 | 51.6 | 0 | 0 | 0 | 0 | 107.5 | S870 | S868-S870 PolarHBondContact O-N 3.08Š| ||
| 869 | K | 23.5 | Very low | 22.4 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -72 | 110.8 | 173.1 | -86.7 | 179.7 | 178.6 | -178.4 | 0 | 109.4 | I867 | I867-K869 HydrophobicContact CG2-CD 4.3Å; I867-K869 HydrophobicContact CG2-CG 3.81Å | ||
| 870 | S | 19 | Very low | 22.5 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -103 | 112 | 166.8 | 54.5 | 0 | 0 | 0 | 0 | 109.8 | S868 | S868-S870 PolarHBondContact O-N 3.08Š| ||
| 871 | S | 23.5 | Very low | 22.4 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -155 | 104.5 | 164.2 | 48.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 872 | S | 19.6 | Very low | 22.5 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | 57.4 | 113.7 | 66.7 | 78.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 873 | S | 21.3 | Very low | 22.4 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 55.2 | 99.5 | 155.7 | 59 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 874 | T | 24.7 | Very low | 22.9 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | -144.7 | 131.7 | 126.5 | 3.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 875 | S | 19.8 | Very low | 23 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -99.3 | 127.1 | 176 | 49 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 876 | T | 25.1 | Very low | 23.1 | Very low | 145 Ų | 145 | 126.7 Ų | 126.7 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -148.8 | 149.2 | 151.3 | 40.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 877 | A | 21.2 | Very low | 23.1 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -53 | 159.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 878 | T | 23.9 | Very low | 23.3 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | cis | -151.3 | 150 | 34.9 | -30.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 879 | S | 21.1 | Very low | 23.6 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -105.9 | 146.4 | 163.6 | -53 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 880 | P | 28.6 | Very low | 24 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | -141.8 | 174.9 | 75.6 | 36.7 | -18.8 | 0 | 0 | 0 | 116.1 | |||||
| 881 | N | 20.4 | Very low | 24.4 | Very low | 156 Ų | 156 | 124 Ų | 124 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -62.2 | 139.8 | -178.7 | -58.5 | -64.6 | 0 | 0 | 0 | 114.5 | ||||
| 882 | L | 26.3 | Very low | 24.6 | Very low | 174 Ų | 174 | 126 Ų | 126 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -146.2 | 110.3 | 140.6 | -82.2 | -177.4 | 0 | 0 | 0 | 111.1 | ||||
| 883 | S | 21.1 | Very low | 25.3 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -77.7 | 156.9 | 141 | 55.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 884 | P | 32.4 | Very low | 25.8 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | cis | -141.5 | 162.4 | 24.4 | 41.3 | -23.9 | 0 | 0 | 0 | 116.3 | ||||
| 885 | N | 23.4 | Very low | 26.5 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | -168.4 | 136.7 | 115.8 | -133.4 | -22.8 | 0 | 0 | 0 | 112.8 | |||||
| 886 | S | 22.7 | Very low | 27.5 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | -83.3 | 111 | 168.3 | 50.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 887 | N | 23.4 | Very low | 28.7 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -178.2 | 78.4 | 147.6 | -93.6 | -24.5 | 0 | 0 | 0 | 111.8 | ||||
| 888 | S | 27.9 | Very low | 30.4 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | -142.2 | 109.6 | 152.6 | 62.1 | 0 | 0 | 0 | 0 | 110.2 | T890 | S888-T890 PolarHBondContact O-N 2.69Š| ||
| 889 | V | 27.3 | Very low | 32.9 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | trans | -72.2 | 83.7 | 167.1 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | N891 | V889-N891 PolarHBondContact O-N 2.72Š| ||
| 890 | T | 30.9 | Very low | 36 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 61% | 0.607 | 70% | 0.699 | S | S | * | * | trans | -75.8 | 117.6 | 172.3 | 39.7 | 0 | 0 | 0 | 0 | 108.4 | S888 N892 | S888-T890 PolarHBondContact O-N 2.69Å; T890-N892 VanDerWaalsContact C-N 3.33Å; T890-N892 PolarHBondContact O-N 3.03Å | ||
| 891 | N | 27.1 | Very low | 39.1 | Very low | 126 Ų | 126 | 118.7 Ų | 118.7 | 67% | 0.674 | 67% | 0.667 | S | S | * | * | trans | -69.3 | 79.3 | -170.3 | -77.3 | -45.6 | 0 | 0 | 0 | 112.9 | V889 F893 | V889-N891 PolarHBondContact O-N 2.72Å; N891-F893 HydrophobicContact CB-CD2 4.49Å; N891-F893 PolarHBondContact O-N 2.71Å | ||
| 892 | N | 28.6 | Very low | 42.6 | Very low | 139 Ų | 139 | 113.1 Ų | 113.1 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | trans | -81.8 | 62.5 | 167.7 | -75.2 | -23.6 | 0 | 0 | 0 | 111.4 | T890 I894 | T890-N892 VanDerWaalsContact C-N 3.33Å; T890-N892 PolarHBondContact O-N 3.03Å; N892-I894 PolarHBondContact O-N 3.48Å | ||
| 893 | F | 35.1 | Very low | 45.9 | Very low | 167 Ų | 167 | 104.8 Ų | 104.8 | 73% | 0.732 | 59% | 0.592 | S | S | * | * | trans | -76.8 | 58 | 168.2 | -89.2 | -79.4 | 0 | 0 | 0 | 111.5 | N891 L895 | N891-F893 HydrophobicContact CB-CD2 4.49Å; N891-F893 PolarHBondContact O-N 2.71Å; F893-L895 VanDerWaalsContact C-N 3.27Å; F893-L895 HydrophobicContact CD1-CD1 4.36Å; F893-L895 HydrophobicContact CD1-CG 4.37Å; F893-L895 PolarHBondContact O-N 3.25Å | ||
| 894 | I | 31.6 | Very low | 49.5 | Very low | 156 Ų | 156 | 102.3 Ų | 102.3 | 80% | 0.8 | 57% | 0.567 | S | S | * | * | trans | -87.2 | 75.7 | 164.7 | -53.7 | 179.6 | 0 | 0 | 0 | 107.4 | N892 S896 | N892-I894 PolarHBondContact O-N 3.48Å; I894-S896 PolarHBondContact O-N 3.35Å | ||
| 895 | L | 39 | Very low | 52.4 | Low | 105 Ų | 105 | 96.8 Ų | 96.8 | 55% | 0.55 | 53% | 0.531 | S | S | . | . | trans | -72 | 121.2 | 167.7 | -76.8 | 176.4 | 0 | 0 | 0 | 108.5 | F893 E897 | F893-L895 VanDerWaalsContact C-N 3.27Å; F893-L895 HydrophobicContact CD1-CD1 4.36Å; F893-L895 HydrophobicContact CD1-CG 4.37Å; F893-L895 PolarHBondContact O-N 3.25Å; L895-E897 PolarHBondContact O-N 3.2Å | ||
| 896 | S | 41.5 | Very low | 55.6 | Low | 78 Ų | 78 | 91.5 Ų | 91.5 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | trans | -56.5 | 138.3 | 175.5 | 59.6 | 0 | 0 | 0 | 0 | 110.5 | I894 N898 S899 | I894-S896 PolarHBondContact O-N 3.35Å; S896-N898 PolarHBondContact O-N 2.81Å; S896-S899 WeakPolarHBondContact O-CB 3.13Å; S896-S899 PolarHBondContact O-N 3.34Å; S896-S899 PolarHBondContact O-OG 3.06Å | ||
| 897 | E | 50.2 | Low | 58.8 | Low | 171 Ų | 171 | 87.4 Ų | 87.4 | 80% | 0.799 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -49.7 | -28 | -171.8 | -63.2 | -178.5 | 148.4 | 0 | 0 | 114.7 | L895 S899 | L895-E897 PolarHBondContact O-N 3.2Å; E897-S899 PolarHBondContact O-N 3.02Å; E897-S899 VanDerWaalsContact O-N 3.16Å |
| 898 | N | 56.2 | Low | 62 | Low | 146 Ų | 146 | 80.5 Ų | 80.5 | 78% | 0.781 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -66.2 | -7.3 | 175 | -70.1 | -33 | 0 | 0 | 0 | 115.6 | N660 S896 | N660-N898 PolarHBondContact ND2-O 3.5Å; S896-N898 PolarHBondContact O-N 2.81Å |
| 899 | S | 75.8 | Confident | 64.9 | Low | 42 Ų | 42 | 76.5 Ų | 76.5 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -111.7 | -0.9 | -172.8 | 63.7 | 0 | 0 | 0 | 0 | 115.6 | S896 E897 | S896-S899 WeakPolarHBondContact O-CB 3.13Å; S896-S899 PolarHBondContact O-N 3.34Å; S896-S899 PolarHBondContact O-OG 3.06Å; E897-S899 PolarHBondContact O-N 3.02Å; E897-S899 VanDerWaalsContact O-N 3.16Å |
| 900 | L | 87.5 | Confident | 67.7 | Low | 44 Ų | 44 | 71.2 Ų | 71.2 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -66.3 | 146.7 | 173.1 | -75.5 | 167.8 | 0 | 0 | 0 | 111.2 | N660 I753 | N660-L900 WeakPolarHBondContact CB-O 3.22Å; N660-L900 PolarHBondContact ND2-O 2.83Å; I753-L900 HydrophobicContact CG2-CB 3.89Å; I753-L900 HydrophobicContact CG2-CD1 4Å |
| 901 | P | 93 | Very high | 70.4 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 13% | 0.13 | 35% | 0.346 | C | S | . | . | trans | -53.8 | 140.2 | 169.8 | -25.2 | 35 | 0 | 0 | 0 | 111.4 | V658 K659 L661 L711 I732 M754 | V658-P901 HydrophobicContact CG2-CB 4.35Å; K659-P901 WeakPolarHBondContact O-CA 3.26Å; L661-P901 HydrophobicContact CD2-CB 3.93Å; L661-P901 HydrophobicContact CD2-CG 4.07Å; L711-P901 HydrophobicContact CD2-CB 4.37Å; I732-P901 HydrophobicContact CG2-CG 4.1Å; M754-P901 HydrophobicContact CB-CB 4.15Å; M754-P901 WeakPolarHBondContact CB-O 3.49Å; M754-P901 HydrophobicContact CG-CB 4.06Å; M754-P901 WeakPolarHBondContact CG-O 3.3Å; M754-P901 PolarHBondContact N-O 2.98Å; M754-P901 HydrophobicContact SD-CB 4.14Å | ||
| 902 | Q | 94.6 | Very high | 73.4 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.2 | 175 | -60.7 | -173.1 | -5.2 | 0 | 0 | 109.1 | V658 K659 W751 F752 I753 | V658-Q902 CarbonylContact C-O 3.44Å; V658-Q902 VanDerWaalsContact CA-O 3.25Å; V658-Q902 WeakPolarHBondContact CA-O 3.22Å; V658-Q902 WeakPolarHBondContact CG2-O 3.4Å; K659-Q902 HydrophobicContact CG-CB 4.04Å; K659-Q902 PolarHBondContact N-O 3.06Å; K659-Q902 PolarHBondContact O-N 3.45Å; K659-Q902 VanDerWaalsContact O-N 3.12Å; W751-Q902 HydrophobicContact CE3-CB 3.94Å; W751-Q902 HydrophobicContact CZ3-CB 4.34Å; W751-Q902 WeakPolarHBondContact CZ3-O 3.38Å; F752-Q902 CarbonylContact O-C 3.56Å; F752-Q902 VanDerWaalsContact O-CA 3.27Å; F752-Q902 WeakPolarHBondContact O-CA 3.41Å; I753-Q902 HydrophobicContact CG1-CG 4.16Å |
| 903 | L | 95.6 | Very high | 76.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.4 | -174.1 | -178.5 | 62.4 | 0 | 0 | 0 | 109.6 | I655 E657 V658 W692 I709 F752 M754 M905 | I655-L903 HydrophobicContact CG2-CD1 4.18Å; E657-L903 CarbonylContact O-C 3.59Å; V658-L903 HydrophobicContact CB-CD1 3.92Å; W692-L903 HydrophobicContact CZ3-CD1 3.95Å; I709-L903 HydrophobicContact CG2-CD2 3.7Å; F752-L903 PolarHBondContact N-O 2.82Å; F752-L903 PolarHBondContact O-N 3.19Å; M754-L903 HydrophobicContact CE-CD2 4.1Å; M754-L903 HydrophobicContact CG-CB 4.19Å; M754-L903 HydrophobicContact SD-CB 4.09Å; M754-L903 HydrophobicContact SD-CD2 4.38Å; L903-M905 HydrophobicContact CB-CE 4.25Å; L903-M905 HydrophobicContact CD2-CE 3.34Å; L903-M905 HydrophobicContact CG-CE 3.56Å |
| 904 | R | 95.3 | Very high | 79.1 | Confident | 50 Ų | 50 | 49.4 Ų | 49.4 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.9 | 171.8 | -166.5 | 173.6 | 74.5 | -131.3 | -6.6 | 109.5 | Q656 E657 K750 W751 | Q656-R904 HydrophobicContact CB-CB 4.45Å; Q656-R904 WeakPolarHBondContact CB-O 3.41Å; Q656-R904 PolarHBondContact N-O 3.28Å; E657-R904 HydrophobicContact CG-CB 4.09Å; E657-R904 PolarHBondContact N-O 3.32Å; E657-R904 PolarHBondContact O-N 3.32Å; E657-R904 IonicContact OE1-CZ 2.83Å; E657-R904 IonicContact OE1-NH1 2.71Å; E657-R904 PolarHBondContact OE1-NH1 2.72Å; E657-R904 IonicContact OE1-NH2 3.23Å; E657-R904 IonicContact OE2-CZ 3.87Å; E657-R904 VanDerWaalsContact OE2-CZ 3.23Å; E657-R904 IonicContact OE2-NH1 3.54Å; E657-R904 PolarHBondContact OE2-NH1 3.4Å; E657-R904 VanDerWaalsContact OE2-NH1 3.09Å; E657-R904 IonicContact OE2-NH2 2.81Å; E657-R904 PolarHBondContact OE2-NH2 3.25Å; K750-R904 WeakPolarHBondContact O-CA 3.35Å; W751-R904 HydrophobicContact CD2-CB 3.78Å; W751-R904 HydrophobicContact CD2-CG 4.24Å; W751-R904 HydrophobicContact CE3-CB 3.77Å; W751-R904 HydrophobicContact CG-CB 4.4Å; W751-R904 HydrophobicContact CG-CG 4.47Å; W751-R904 HydrophobicContact CH2-CB 4.11Å; W751-R904 HydrophobicContact CZ2-CB 4.12Å; W751-R904 HydrophobicContact CZ3-CB 3.93Å |
| 905 | M | 94 | Very high | 82.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 162.3 | 176.1 | 62.3 | -170 | 69 | 0 | 0 | 110.7 | S654 I655 I709 I737 Q749 K750 F752 L903 I907 | S654-M905 CarbonylContact O-C 3.55Å; S654-M905 WeakPolarHBondContact O-CA 3.32Å; S654-M905 VanDerWaalsContact O-CB 3.31Å; S654-M905 WeakPolarHBondContact O-CB 3.43Å; I655-M905 HydrophobicContact CD1-CB 4.21Å; I709-M905 HydrophobicContact CD1-CE 3.51Å; I709-M905 HydrophobicContact CD1-SD 3.43Å; I709-M905 WeakPolarHBondContact CD1-SD 3.4Å; I737-M905 HydrophobicContact CD1-SD 3.99Å; Q749-M905 WeakPolarHBondContact CA-O 3.42Å; K750-M905 PolarHBondContact N-O 2.84Å; K750-M905 PolarHBondContact O-N 2.84Å; K750-M905 VanDerWaalsContact O-N 3.17Å; F752-M905 HydrophobicContact CD2-CE 4.03Å; F752-M905 HydrophobicContact CD2-CG 3.68Å; F752-M905 HydrophobicContact CD2-SD 3.83Å; F752-M905 HydrophobicContact CE2-CG 3.5Å; F752-M905 VanDerWaalsContact CE2-CG 3.5Å; F752-M905 HydrophobicContact CE2-SD 3.82Å; L903-M905 HydrophobicContact CB-CE 4.25Å; L903-M905 HydrophobicContact CD2-CE 3.34Å; L903-M905 HydrophobicContact CG-CE 3.56Å; M905-I907 HydrophobicContact CG-CD1 4.12Å; M905-I907 HydrophobicContact CG-CG1 4.13Å; M905-I907 HydrophobicContact SD-CD1 3.75Å; M905-I907 HydrophobicContact SD-CG1 4.14Å |
| 906 | M | 91.2 | Very high | 84.7 | Confident | 44 Ų | 44 | 37.3 Ų | 37.3 | 22% | 0.217 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.4 | 163.7 | -46.1 | -163.2 | -52.3 | 0 | 0 | 108.4 | I653 S654 Q656 I748 Q749 | I653-M906 CarbonylContact C-O 3.54Å; I653-M906 WeakPolarHBondContact CA-O 3.37Å; S654-M906 PolarHBondContact N-O 3.27Å; S654-M906 PolarHBondContact O-N 2.88Å; Q656-M906 VanDerWaalsContact NE2-CG 3.3Å; Q656-M906 PolarHBondContact NE2-SD 3.41Å; I748-M906 WeakPolarHBondContact O-CA 3.09Å; Q749-M906 HydrophobicContact CB-CG 3.78Å; Q749-M906 HydrophobicContact CB-SD 3.94Å; Q749-M906 HydrophobicContact CG-CG 3.76Å; Q749-M906 HydrophobicContact CG-SD 3.94Å |
| 907 | I | 90.2 | Very high | 87.2 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 134.2 | -179.7 | -53.8 | 160.7 | 0 | 0 | 0 | 107.8 | L651 R652 M707 I737 E747 I748 F752 M905 | L651-I907 HydrophobicContact CD1-CG2 3.74Å; R652-I907 CarbonylContact O-C 3.52Å; R652-I907 WeakPolarHBondContact O-CA 3.46Å; M707-I907 HydrophobicContact CE-CD1 3.55Å; M707-I907 HydrophobicContact CE-CG1 3.91Å; M707-I907 HydrophobicContact CE-CG2 4.03Å; I737-I907 HydrophobicContact CD1-CD1 3.34Å; E747-I907 WeakPolarHBondContact CA-O 3.31Å; I748-I907 PolarHBondContact N-O 3.01Å; I748-I907 PolarHBondContact O-N 3.16Å; F752-I907 HydrophobicContact CE2-CD1 4.36Å; F752-I907 HydrophobicContact CZ-CD1 4.17Å; M905-I907 HydrophobicContact CG-CD1 4.12Å; M905-I907 HydrophobicContact CG-CG1 4.13Å; M905-I907 HydrophobicContact SD-CD1 3.75Å; M905-I907 HydrophobicContact SD-CG1 4.14Å |
| 908 | H | 88.7 | Confident | 89.2 | Confident | 21 Ų | 21 | 30 Ų | 30 | 10% | 0.097 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 101.4 | 170.4 | 176.9 | -83.4 | 0 | 0 | 0 | 108.4 | L651 R652 Q910 | L651-H908 WeakPolarHBondContact CA-O 3.47Å; R652-H908 HydrophobicContact CB-CB 4.34Å; R652-H908 PolarHBondContact N-O 2.81Å; R652-H908 PolarHBondContact NH2-CE1 3.18Å; R652-H908 VanDerWaalsContact NH2-CE1 3.29Å; R652-H908 PolarHBondContact NH2-ND1 3.03Å; R652-H908 PolarHBondContact O-N 2.99Å; H908-Q910 PolarHBondContact CE1-OE1 3.01Å |
| 909 | Y | 89.3 | Confident | 91 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.8 | 173.2 | 177.7 | -108.2 | 0 | 0 | 0 | 109 | V649 S650 L651 I704 L739 T911 | V649-Y909 HydrophobicContact CG1-CE2 3.54Å; S650-Y909 WeakPolarHBondContact O-CA 3.36Å; L651-Y909 HydrophobicContact CB-CD2 4.4Å; L651-Y909 HydrophobicContact CD1-CD2 4.24Å; I704-Y909 HydrophobicContact CD1-CE2 4.05Å; I704-Y909 HydrophobicContact CG1-CE2 3.94Å; L739-Y909 HydrophobicContact CB-CD1 4.44Å; L739-Y909 HydrophobicContact CB-CD2 4.47Å; L739-Y909 HydrophobicContact CB-CE1 4.32Å; L739-Y909 HydrophobicContact CB-CE2 4.32Å; L739-Y909 HydrophobicContact CD1-CD2 4.04Å; L739-Y909 HydrophobicContact CD1-CE2 4.17Å; L739-Y909 HydrophobicContact CD2-CD2 4.35Å; L739-Y909 HydrophobicContact CD2-CG 4.14Å; Y909-T911 PolarHBondContact OH-OG1 3Å |
| 910 | Q | 86.8 | Confident | 91.9 | Very high | 28 Ų | 28 | 22.5 Ų | 22.5 | 13% | 0.131 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 124.5 | 179 | -178.4 | -179.9 | 5.8 | 0 | 0 | 110.5 | S650 H908 V912 | S650-Q910 PolarHBondContact N-O 2.97Å; S650-Q910 PolarHBondContact O-N 2.89Å; S650-Q910 PolarHBondContact OG-O 3.46Å; H908-Q910 PolarHBondContact CE1-OE1 3.01Å; Q910-V912 HydrophobicContact CG-CG2 3.88Å |
| 911 | T | 87.8 | Confident | 92.3 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 9% | 0.086 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.9 | 165.5 | -51.7 | 0 | 0 | 0 | 0 | 108.1 | K647 D648 V649 D741 Y909 | K647-T911 HydrophobicContact CB-CG2 4.31Å; K647-T911 HydrophobicContact CD-CG2 3.92Å; D648-T911 CarbonylContact O-C 3.49Å; D648-T911 WeakPolarHBondContact O-CA 3.21Å; V649-T911 HydrophobicContact CG2-CG2 4.35Å; D741-T911 WeakPolarHBondContact OD1-CB 3.46Å; D741-T911 PolarHBondContact OD1-OG1 3.03Å; Y909-T911 PolarHBondContact OH-OG1 3Å |
| 912 | V | 90 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | K647 D648 Q910 I914 Y1211 A1214 | K647-V912 WeakPolarHBondContact CA-O 3.26Å; D648-V912 PolarHBondContact N-O 3.46Å; D648-V912 PolarHBondContact O-N 3.33Å; Q910-V912 HydrophobicContact CG-CG2 3.88Å; V912-I914 HydrophobicContact CG1-CG1 4.02Å; V912-Y1211 HydrophobicContact CB-CE2 4.37Å; V912-Y1211 HydrophobicContact CG2-CE2 4.1Å; V912-A1214 HydrophobicContact CG1-CB 3.72Å |
| 913 | D | 91.1 | Very high | 92.4 | Very high | 58 Ų | 58 | 27.7 Ų | 27.7 | 31% | 0.31 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 119.8 | 173.2 | -64.1 | -22 | 0 | 0 | 0 | 108.8 | K647 L1247 | K647-D913 WeakPolarHBondContact CD-OD1 3.46Å; K647-D913 WeakPolarHBondContact CE-OD1 3.46Å; K647-D913 WeakPolarHBondContact CG-OD1 3.27Å; K647-D913 VanDerWaalsContact NZ-CG 3.29Å; K647-D913 IonicContact NZ-OD1 3.91Å; K647-D913 PolarHBondContact NZ-OD1 3.12Å; K647-D913 IonicContact NZ-OD2 3.67Å; K647-D913 PolarHBondContact NZ-OD2 3.46Å; K647-D913 VanDerWaalsContact NZ-OD2 3.13Å; D913-L1247 HydrophobicContact CB-CD2 3.84Å |
| 914 | I | 92.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.1 | -172.5 | -60 | 161.5 | 0 | 0 | 0 | 108.1 | Q645 H646 D648 V912 Y1211 A1214 | Q645-I914 VanDerWaalsContact CA-O 3.27Å; Q645-I914 WeakPolarHBondContact CA-O 3.46Å; Q645-I914 VanDerWaalsContact CG-O 3.28Å; Q645-I914 WeakPolarHBondContact CG-O 3.44Å; H646-I914 PolarHBondContact N-O 3.13Å; H646-I914 WeakPolarHBondContact NE2-CD1 3.41Å; H646-I914 PolarHBondContact O-N 3.35Å; D648-I914 HydrophobicContact CB-CD1 3.8Å; V912-I914 HydrophobicContact CG1-CG1 4.02Å; I914-Y1211 HydrophobicContact CD1-CD2 4.02Å; I914-A1214 HydrophobicContact CB-CB 4.42Å; I914-A1214 HydrophobicContact CG1-CB 3.88Å |
| 915 | L | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -82.9 | 160.1 | 172.9 | -65 | 177 | 0 | 0 | 0 | 110.9 | Q645 I917 C919 Y920 I1243 L1246 L1247 | Q645-L915 HydrophobicContact CG-CD2 4.23Å; L915-I917 PolarHBondContact O-N 2.86Å; L915-C919 HydrophobicContact CB-CB 3.85Å; L915-C919 HydrophobicContact CD1-CB 3.9Å; L915-Y920 HydrophobicContact CB-CE2 3.96Å; L915-Y920 PolarHBondContact N-OH 3.08Å; L915-Y920 VanDerWaalsContact N-OH 3.08Å; L915-Y920 WeakPolarHBondContact O-CE2 3.42Å; L915-I1243 HydrophobicContact CD1-CG2 3.99Å; L915-L1246 HydrophobicContact CD1-CB 3.66Å; L915-L1246 HydrophobicContact CD1-CD1 4.23Å; L915-L1246 HydrophobicContact CD2-CB 4.39Å; L915-L1247 HydrophobicContact CD1-CD2 4.39Å; L915-L1247 HydrophobicContact CD1-CG 4.18Å; L915-L1247 HydrophobicContact CD2-CD2 3.84Å; L915-L1247 HydrophobicContact CD2-CG 4.27Å; L915-L1247 HydrophobicContact CG-CD2 3.81Å; L915-L1247 HydrophobicContact CG-CG 4.15Å | ||
| 916 | P | 94.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | trans | -49.1 | 138.1 | 166.1 | -28.2 | 36.6 | 0 | 0 | 0 | 111.7 | N643 A918 C919 | N643-P916 WeakPolarHBondContact O-CB 3.35Å; N643-P916 WeakPolarHBondContact O-CG 3.3Å; P916-A918 PolarHBondContact O-N 3.15Å; P916-C919 VanDerWaalsContact O-CB 3.28Å; P916-C919 WeakPolarHBondContact O-CB 3.36Å; P916-C919 PolarHBondContact O-N 3.25Å | ||
| 917 | I | 92.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 19% | 0.185 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -52.1 | -35.9 | -172 | -174.1 | 58.4 | 0 | 0 | 0 | 114.1 | E642 L915 C919 Y920 L1209 F1213 | E642-I917 PolarHBondContact O-N 3.47Å; L915-I917 PolarHBondContact O-N 2.86Å; I917-C919 PolarHBondContact O-N 2.91Å; I917-Y920 HydrophobicContact CD1-CD2 4.39Å; I917-Y920 PolarHBondContact O-N 3.35Å; I917-L1209 HydrophobicContact CD1-CB 4.1Å; I917-L1209 HydrophobicContact CD1-CD2 3.84Å; I917-L1209 HydrophobicContact CD1-CG 3.74Å; I917-L1209 HydrophobicContact CG1-CD2 4.33Å; I917-F1213 HydrophobicContact CD1-CD2 3.78Å; I917-F1213 HydrophobicContact CD1-CE2 4.15Å |
| 918 | A | 92.3 | Very high | 92.9 | Very high | 60 Ų | 60 | 33.3 Ų | 33.3 | 50% | 0.496 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -59.8 | -26 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P916 Y920 N921 | P916-A918 PolarHBondContact O-N 3.15Å; A918-Y920 PolarHBondContact O-N 3.48Å; A918-N921 WeakPolarHBondContact O-CB 3.27Å; A918-N921 VanDerWaalsContact O-CG 3.31Å; A918-N921 PolarHBondContact O-N 3.18Å; A918-N921 PolarHBondContact O-ND2 2.84Å |
| 919 | C | 93.9 | Very high | 93.2 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -66.3 | -22.5 | 176 | -62.9 | 0 | 0 | 0 | 0 | 112.8 | L915 P916 I917 L1246 | L915-C919 HydrophobicContact CB-CB 3.85Å; L915-C919 HydrophobicContact CD1-CB 3.9Å; P916-C919 VanDerWaalsContact O-CB 3.28Å; P916-C919 WeakPolarHBondContact O-CB 3.36Å; P916-C919 PolarHBondContact O-N 3.25Å; I917-C919 PolarHBondContact O-N 2.91Å; C919-L1246 HydrophobicContact CB-CD1 4.07Å |
| 920 | Y | 96.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -91.7 | 0.9 | 179.3 | -58.5 | -70 | 0 | 0 | 0 | 113.8 | L915 I917 A918 Q922 L923 K924 F1213 A1214 I1243 | L915-Y920 HydrophobicContact CB-CE2 3.96Å; L915-Y920 PolarHBondContact N-OH 3.08Å; L915-Y920 VanDerWaalsContact N-OH 3.08Å; L915-Y920 WeakPolarHBondContact O-CE2 3.42Å; I917-Y920 HydrophobicContact CD1-CD2 4.39Å; I917-Y920 PolarHBondContact O-N 3.35Å; A918-Y920 PolarHBondContact O-N 3.48Å; Y920-Q922 VanDerWaalsContact C-N 3.31Å; Y920-Q922 PolarHBondContact O-N 3.32Å; Y920-L923 CarbonylContact O-C 3.54Å; Y920-L923 WeakPolarHBondContact O-CA 3.28Å; Y920-L923 WeakPolarHBondContact O-CB 3.27Å; Y920-L923 PolarHBondContact O-N 3.07Å; Y920-K924 PolarHBondContact O-N 3.43Å; Y920-F1213 HydrophobicContact CD1-CB 3.74Å; Y920-F1213 HydrophobicContact CD1-CG 4.48Å; Y920-F1213 HydrophobicContact CD2-CB 3.73Å; Y920-F1213 HydrophobicContact CD2-CG 4.41Å; Y920-F1213 HydrophobicContact CE1-CB 4.12Å; Y920-F1213 HydrophobicContact CE2-CB 4.12Å; Y920-F1213 HydrophobicContact CG-CB 3.53Å; Y920-F1213 HydrophobicContact CG-CD2 4.42Å; Y920-F1213 HydrophobicContact CG-CG 4.02Å; Y920-A1214 WeakPolarHBondContact OH-CB 3.43Å; Y920-I1243 HydrophobicContact CD1-CD1 4.01Å; Y920-I1243 HydrophobicContact CD1-CG1 4.48Å; Y920-I1243 HydrophobicContact CD1-CG2 4.49Å; Y920-I1243 HydrophobicContact CE1-CD1 4.45Å; Y920-I1243 HydrophobicContact CE1-CG2 3.93Å |
| 921 | N | 94.7 | Very high | 93.8 | Very high | 94 Ų | 94 | 37.7 Ų | 37.7 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.5 | -38.8 | -173.6 | -79.1 | -17.5 | 0 | 0 | 0 | 114.3 | A918 K924 E925 | A918-N921 WeakPolarHBondContact O-CB 3.27Å; A918-N921 VanDerWaalsContact O-CG 3.31Å; A918-N921 PolarHBondContact O-N 3.18Å; A918-N921 PolarHBondContact O-ND2 2.84Å; N921-K924 WeakPolarHBondContact O-CB 3.48Å; N921-K924 PolarHBondContact O-N 3.06Å; N921-E925 PolarHBondContact O-N 3.49Å; N921-E925 VanDerWaalsContact O-N 3.12Å |
| 922 | Q | 94.8 | Very high | 94.2 | Very high | 116 Ų | 116 | 39 Ų | 39 | 54% | 0.542 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.9 | -38.8 | 176.5 | -61.9 | -178.3 | -28.6 | 0 | 0 | 112 | Y920 E925 F926 L1239 | Y920-Q922 VanDerWaalsContact C-N 3.31Å; Y920-Q922 PolarHBondContact O-N 3.32Å; Q922-E925 PolarHBondContact O-N 3.25Å; Q922-F926 PolarHBondContact O-N 3.3Å; Q922-L1239 HydrophobicContact CB-CD2 3.55Å; Q922-L1239 HydrophobicContact CG-CD2 4.37Å |
| 923 | L | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.3 | -38.2 | 174.3 | -179.7 | 62.7 | 0 | 0 | 0 | 111.2 | Y920 E925 F926 I927 F1213 T1217 L1220 L1236 I1243 | Y920-L923 CarbonylContact O-C 3.54Å; Y920-L923 WeakPolarHBondContact O-CA 3.28Å; Y920-L923 WeakPolarHBondContact O-CB 3.27Å; Y920-L923 PolarHBondContact O-N 3.07Å; L923-E925 VanDerWaalsContact C-N 3.35Å; L923-E925 PolarHBondContact O-N 3.39Å; L923-F926 PolarHBondContact O-N 3.06Å; L923-I927 HydrophobicContact CD1-CG1 4.12Å; L923-I927 HydrophobicContact CG-CG1 4.31Å; L923-I927 WeakPolarHBondContact O-CB 3.47Å; L923-I927 VanDerWaalsContact O-CG1 3.22Å; L923-I927 WeakPolarHBondContact O-CG1 3.35Å; L923-I927 PolarHBondContact O-N 2.97Å; L923-F1213 HydrophobicContact CD2-CD1 4.06Å; L923-F1213 HydrophobicContact CG-CD1 4.31Å; L923-T1217 WeakPolarHBondContact CD2-OG1 3.43Å; L923-L1220 HydrophobicContact CD1-CD1 4.36Å; L923-L1236 HydrophobicContact CD1-CD1 4.34Å; L923-I1243 HydrophobicContact CB-CD1 4.09Å; L923-I1243 HydrophobicContact CD2-CD1 3.94Å |
| 924 | K | 95.5 | Very high | 94.5 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 20% | 0.2 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.8 | -50.6 | 172.7 | 177.6 | -173.7 | 168.4 | -178.6 | 0 | 110.8 | Y920 N921 I927 K928 L961 D963 F1213 | Y920-K924 PolarHBondContact O-N 3.43Å; N921-K924 WeakPolarHBondContact O-CB 3.48Å; N921-K924 PolarHBondContact O-N 3.06Å; K924-I927 PolarHBondContact O-N 3.21Å; K924-K928 WeakPolarHBondContact O-CB 3.32Å; K924-K928 PolarHBondContact O-N 3.3Å; K924-L961 HydrophobicContact CD-CD1 4.04Å; K924-L961 HydrophobicContact CD-CD2 4.07Å; K924-L961 HydrophobicContact CG-CD1 4Å; K924-D963 WeakPolarHBondContact CE-OD1 3.16Å; K924-D963 WeakPolarHBondContact CE-OD2 3.44Å; K924-D963 IonicContact NZ-OD1 2.89Å; K924-D963 PolarHBondContact NZ-OD1 2.89Å; K924-D963 IonicContact NZ-OD2 2.9Å; K924-D963 PolarHBondContact NZ-OD2 3.3Å; K924-F1213 HydrophobicContact CB-CE1 4.23Å; K924-F1213 HydrophobicContact CB-CE2 4.41Å; K924-F1213 HydrophobicContact CB-CZ 3.69Å; K924-F1213 HydrophobicContact CG-CZ 4.04Å |
| 925 | E | 95.6 | Very high | 94.6 | Very high | 98 Ų | 98 | 38.5 Ų | 38.5 | 46% | 0.458 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.9 | -37.6 | -177.8 | -167.4 | 58.5 | -155 | 0 | 0 | 112.3 | N921 Q922 L923 K928 T929 | N921-E925 PolarHBondContact O-N 3.49Å; N921-E925 VanDerWaalsContact O-N 3.12Å; Q922-E925 PolarHBondContact O-N 3.25Å; L923-E925 VanDerWaalsContact C-N 3.35Å; L923-E925 PolarHBondContact O-N 3.39Å; E925-K928 PolarHBondContact O-N 2.86Å; E925-T929 WeakPolarHBondContact O-CG2 3.41Å; E925-T929 PolarHBondContact O-N 2.82Å; E925-T929 PolarHBondContact O-OG1 2.87Å |
| 926 | F | 96.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.022 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 171.1 | 179.6 | -84.2 | 0 | 0 | 0 | 111.8 | Q922 L923 T929 K930 L934 I1233 E1235 L1236 L1239 | Q922-F926 PolarHBondContact O-N 3.3Å; L923-F926 PolarHBondContact O-N 3.06Å; F926-T929 PolarHBondContact O-N 3.02Å; F926-T929 PolarHBondContact O-OG1 3.33Å; F926-K930 HydrophobicContact CD2-CD 3.72Å; F926-K930 HydrophobicContact CE1-CB 4.29Å; F926-K930 HydrophobicContact CE2-CB 4.28Å; F926-K930 HydrophobicContact CE2-CD 3.52Å; F926-K930 HydrophobicContact CZ-CB 4.11Å; F926-K930 HydrophobicContact CZ-CD 4.16Å; F926-K930 WeakPolarHBondContact O-CA 3.42Å; F926-K930 WeakPolarHBondContact O-CB 3.41Å; F926-K930 PolarHBondContact O-N 2.88Å; F926-L934 HydrophobicContact CE1-CB 4.5Å; F926-L934 HydrophobicContact CE1-CD2 3.96Å; F926-I1233 HydrophobicContact CZ-CB 4.13Å; F926-I1233 HydrophobicContact CZ-CG2 4.16Å; F926-E1235 HydrophobicContact CD2-CB 4.29Å; F926-E1235 HydrophobicContact CE2-CB 4.36Å; F926-L1236 HydrophobicContact CD1-CD1 4.36Å; F926-L1236 HydrophobicContact CE1-CB 4.31Å; F926-L1236 HydrophobicContact CE1-CD1 4.07Å; F926-L1236 HydrophobicContact CE2-CB 4.11Å; F926-L1236 HydrophobicContact CZ-CB 3.81Å; F926-L1236 HydrophobicContact CZ-CD1 4.43Å; F926-L1236 HydrophobicContact CZ-CG 4.49Å; F926-L1239 HydrophobicContact CB-CD1 3.62Å; F926-L1239 HydrophobicContact CD2-CD1 3.99Å; F926-L1239 HydrophobicContact CG-CD1 3.93Å |
| 927 | I | 95.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -46.1 | 178.7 | -69.6 | -66.2 | 0 | 0 | 0 | 110.8 | L923 K924 T929 Y931 L934 F954 F958 L1216 | L923-I927 HydrophobicContact CD1-CG1 4.12Å; L923-I927 HydrophobicContact CG-CG1 4.31Å; L923-I927 WeakPolarHBondContact O-CB 3.47Å; L923-I927 VanDerWaalsContact O-CG1 3.22Å; L923-I927 WeakPolarHBondContact O-CG1 3.35Å; L923-I927 PolarHBondContact O-N 2.97Å; K924-I927 PolarHBondContact O-N 3.21Å; I927-T929 VanDerWaalsContact C-N 3.29Å; I927-T929 PolarHBondContact O-N 3.45Å; I927-Y931 VanDerWaalsContact O-CB 3.26Å; I927-Y931 WeakPolarHBondContact O-CB 3.41Å; I927-Y931 PolarHBondContact O-N 2.79Å; I927-Y931 VanDerWaalsContact O-N 3.11Å; I927-L934 HydrophobicContact CD1-CD2 3.81Å; I927-F954 HydrophobicContact CD1-CE1 3.67Å; I927-F954 HydrophobicContact CD1-CZ 3.89Å; I927-F954 HydrophobicContact CG2-CD1 4.16Å; I927-F954 HydrophobicContact CG2-CE1 3.89Å; I927-F958 HydrophobicContact CG2-CE2 3.89Å; I927-L1216 HydrophobicContact CD1-CD2 3.83Å; I927-L1216 HydrophobicContact CG1-CD2 4.01Å |
| 928 | K | 94.1 | Very high | 94.4 | Very high | 72 Ų | 72 | 43.8 Ų | 43.8 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -54.1 | -43 | 175.9 | 174.9 | 167.9 | -172.5 | 178.1 | 0 | 113 | K924 E925 D963 L964 | K924-K928 WeakPolarHBondContact O-CB 3.32Å; K924-K928 PolarHBondContact O-N 3.3Å; E925-K928 PolarHBondContact O-N 2.86Å; K928-D963 IonicContact NZ-OD2 3.21Å; K928-D963 PolarHBondContact NZ-OD2 3.37Å; K928-L964 HydrophobicContact CB-CD2 4.01Å; K928-L964 HydrophobicContact CD-CD2 4.09Å; K928-L964 HydrophobicContact CG-CD2 3.7Å |
| 929 | T | 93.7 | Very high | 94.5 | Very high | 85 Ų | 85 | 42.6 Ų | 42.6 | 52% | 0.521 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -90.8 | -29.6 | -173.4 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | E925 F926 I927 | E925-T929 WeakPolarHBondContact O-CG2 3.41Å; E925-T929 PolarHBondContact O-N 2.82Å; E925-T929 PolarHBondContact O-OG1 2.87Å; F926-T929 PolarHBondContact O-N 3.02Å; F926-T929 PolarHBondContact O-OG1 3.33Å; I927-T929 VanDerWaalsContact C-N 3.29Å; I927-T929 PolarHBondContact O-N 3.45Å |
| 930 | K | 94.9 | Very high | 94.3 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 17% | 0.17 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -130.1 | 12 | -165.7 | -65.2 | 166.4 | 172.4 | -169.2 | 0 | 114.9 | F926 L932 D933 L934 Q1232 E1235 | F926-K930 HydrophobicContact CD2-CD 3.72Å; F926-K930 HydrophobicContact CE1-CB 4.29Å; F926-K930 HydrophobicContact CE2-CB 4.28Å; F926-K930 HydrophobicContact CE2-CD 3.52Å; F926-K930 HydrophobicContact CZ-CB 4.11Å; F926-K930 HydrophobicContact CZ-CD 4.16Å; F926-K930 WeakPolarHBondContact O-CA 3.42Å; F926-K930 WeakPolarHBondContact O-CB 3.41Å; F926-K930 PolarHBondContact O-N 2.88Å; K930-L932 PolarHBondContact O-N 2.88Å; K930-D933 PolarHBondContact O-N 3.13Å; K930-L934 WeakPolarHBondContact O-CB 3.33Å; K930-L934 PolarHBondContact O-N 2.8Å; K930-Q1232 VanDerWaalsContact CD-O 3.27Å; K930-Q1232 WeakPolarHBondContact CD-O 3.21Å; K930-Q1232 VanDerWaalsContact CE-O 3.26Å; K930-Q1232 WeakPolarHBondContact CE-O 3.41Å; K930-Q1232 PolarHBondContact NZ-O 3.36Å; K930-E1235 IonicContact NZ-OE1 2.71Å; K930-E1235 PolarHBondContact NZ-OE1 3.03Å; K930-E1235 IonicContact NZ-OE2 3.82Å; K930-E1235 PolarHBondContact NZ-OE2 2.85Å |
| 931 | Y | 95.3 | Very high | 94 | Very high | 28 Ų | 28 | 51 Ų | 51 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.9 | -39.7 | 179.5 | 71.3 | -87.1 | 0 | 0 | 0 | 113.5 | I927 L934 I935 F958 F969 | I927-Y931 VanDerWaalsContact O-CB 3.26Å; I927-Y931 WeakPolarHBondContact O-CB 3.41Å; I927-Y931 PolarHBondContact O-N 2.79Å; I927-Y931 VanDerWaalsContact O-N 3.11Å; Y931-L934 PolarHBondContact O-N 3.11Å; Y931-I935 HydrophobicContact CD2-CD1 4.31Å; Y931-I935 WeakPolarHBondContact O-CB 3.43Å; Y931-I935 WeakPolarHBondContact O-CG1 3.35Å; Y931-I935 PolarHBondContact O-N 3.31Å; Y931-F958 HydrophobicContact CD1-CE1 4.39Å; Y931-F958 AromaticContact CD1-CZ 3.65Å; Y931-F958 HydrophobicContact CD1-CZ 3.65Å; Y931-F958 HydrophobicContact CE1-CE1 4.31Å; Y931-F958 HydrophobicContact CE1-CZ 4.02Å; Y931-F958 HydrophobicContact CG-CE2 4.48Å; Y931-F958 AromaticContact CG-CZ 3.92Å; Y931-F958 HydrophobicContact CG-CZ 3.92Å; Y931-F969 AromaticContact CD2-CD2 3.64Å; Y931-F969 HydrophobicContact CD2-CD2 3.64Å; Y931-F969 AromaticContact CD2-CE2 3.64Å; Y931-F969 HydrophobicContact CD2-CE2 3.64Å; Y931-F969 AromaticContact CE2-CD2 3.49Å; Y931-F969 HydrophobicContact CE2-CD2 3.49Å; Y931-F969 VanDerWaalsContact CE2-CD2 3.49Å; Y931-F969 AromaticContact CE2-CE2 3.88Å; Y931-F969 HydrophobicContact CE2-CE2 3.88Å; Y931-F969 HydrophobicContact CG-CD2 4.37Å; Y931-F969 HydrophobicContact CG-CE2 4.46Å |
| 932 | L | 95 | Very high | 93.9 | Very high | 43 Ų | 43 | 47.3 Ų | 47.3 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68 | -46.3 | -173.8 | -172.1 | 65 | 0 | 0 | 0 | 111.2 | K930 L934 I935 R936 V972 L973 E976 | K930-L932 PolarHBondContact O-N 2.88Å; L932-L934 VanDerWaalsContact C-N 3.33Å; L932-L934 PolarHBondContact O-N 2.81Å; L932-I935 PolarHBondContact O-N 2.8Å; L932-R936 VanDerWaalsContact O-CB 3.25Å; L932-R936 WeakPolarHBondContact O-CB 3.4Å; L932-R936 PolarHBondContact O-N 2.81Å; L932-V972 HydrophobicContact CD1-CG1 4.37Å; L932-V972 HydrophobicContact CD2-CG1 4.09Å; L932-L973 HydrophobicContact CD1-CD1 4.25Å; L932-E976 HydrophobicContact CD1-CB 4.26Å; L932-E976 HydrophobicContact CD1-CG 4.18Å |
| 933 | D | 93.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 24% | 0.235 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.4 | -35.6 | 174.7 | -73.2 | -43.7 | 0 | 0 | 0 | 112.1 | K930 R936 N937 Q1232 I1233 | K930-D933 PolarHBondContact O-N 3.13Å; D933-R936 IonicContact OD1-NH1 3.53Å; D933-R936 PolarHBondContact OD1-NH1 3.27Å; D933-N937 WeakPolarHBondContact O-CB 3.44Å; D933-N937 PolarHBondContact O-N 3.03Å; D933-N937 PolarHBondContact O-ND2 2.67Å; D933-Q1232 HydrophobicContact CB-CB 4.1Å; D933-I1233 HydrophobicContact CB-CG2 4.35Å |
| 934 | L | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -48.5 | 174.5 | 177.9 | 58.2 | 0 | 0 | 0 | 111.5 | F926 I927 K930 Y931 L932 N937 L938 F954 L1220 I1233 L1236 | F926-L934 HydrophobicContact CE1-CB 4.5Å; F926-L934 HydrophobicContact CE1-CD2 3.96Å; I927-L934 HydrophobicContact CD1-CD2 3.81Å; K930-L934 WeakPolarHBondContact O-CB 3.33Å; K930-L934 PolarHBondContact O-N 2.8Å; Y931-L934 PolarHBondContact O-N 3.11Å; L932-L934 VanDerWaalsContact C-N 3.33Å; L932-L934 PolarHBondContact O-N 2.81Å; L934-N937 PolarHBondContact O-N 2.86Å; L934-L938 HydrophobicContact CD1-CD1 3.54Å; L934-L938 HydrophobicContact CD1-CG 4.03Å; L934-L938 HydrophobicContact CG-CD1 3.73Å; L934-L938 WeakPolarHBondContact O-CB 3.35Å; L934-L938 VanDerWaalsContact O-CG 3.3Å; L934-L938 WeakPolarHBondContact O-CG 3.43Å; L934-L938 PolarHBondContact O-N 3.35Å; L934-F954 HydrophobicContact CD2-CZ 3.95Å; L934-L1220 HydrophobicContact CD1-CD2 4.23Å; L934-L1220 HydrophobicContact CD2-CD1 4.21Å; L934-L1220 HydrophobicContact CD2-CD2 3.95Å; L934-L1220 HydrophobicContact CG-CD2 4.46Å; L934-I1233 HydrophobicContact CB-CG2 4.5Å; L934-L1236 HydrophobicContact CD1-CD2 3.63Å |
| 935 | I | 94.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 177.3 | -68.1 | 170.9 | 0 | 0 | 0 | 110.4 | Y931 L932 N937 L938 E939 F954 F969 L973 A993 | Y931-I935 HydrophobicContact CD2-CD1 4.31Å; Y931-I935 WeakPolarHBondContact O-CB 3.43Å; Y931-I935 WeakPolarHBondContact O-CG1 3.35Å; Y931-I935 PolarHBondContact O-N 3.31Å; L932-I935 PolarHBondContact O-N 2.8Å; I935-N937 VanDerWaalsContact C-N 3.28Å; I935-N937 PolarHBondContact O-N 2.92Å; I935-L938 PolarHBondContact O-N 3.31Å; I935-L938 VanDerWaalsContact O-N 3.16Å; I935-E939 VanDerWaalsContact O-CB 3.27Å; I935-E939 WeakPolarHBondContact O-CB 3.49Å; I935-E939 PolarHBondContact O-N 2.95Å; I935-F954 HydrophobicContact CD1-CD2 4.22Å; I935-F954 HydrophobicContact CD1-CE1 4.48Å; I935-F954 HydrophobicContact CD1-CE2 4.15Å; I935-F954 HydrophobicContact CD1-CG 4.44Å; I935-F954 HydrophobicContact CD1-CZ 4.28Å; I935-F954 HydrophobicContact CG1-CD2 4.47Å; I935-F954 HydrophobicContact CG1-CE2 3.95Å; I935-F954 HydrophobicContact CG1-CZ 4.08Å; I935-F969 HydrophobicContact CD1-CE2 4.03Å; I935-F969 HydrophobicContact CD1-CZ 4.33Å; I935-L973 HydrophobicContact CD1-CD1 4.31Å; I935-L973 HydrophobicContact CD1-CD2 4.24Å; I935-L973 HydrophobicContact CG2-CD1 4.02Å; I935-A993 HydrophobicContact CG2-CB 3.53Å |
| 936 | R | 92.7 | Very high | 93.3 | Very high | 111 Ų | 111 | 47 Ų | 47 | 42% | 0.419 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.1 | -40 | 177.6 | -175 | -174.1 | -76.1 | 148.2 | -14 | 112.6 | L932 D933 P940 E976 | L932-R936 VanDerWaalsContact O-CB 3.25Å; L932-R936 WeakPolarHBondContact O-CB 3.4Å; L932-R936 PolarHBondContact O-N 2.81Å; D933-R936 IonicContact OD1-NH1 3.53Å; D933-R936 PolarHBondContact OD1-NH1 3.27Å; R936-P940 WeakPolarHBondContact O-CD 3.27Å; R936-E976 IonicContact CZ-OE1 3Å; R936-E976 VanDerWaalsContact CZ-OE1 3.26Å; R936-E976 IonicContact NE-OE1 3.96Å; R936-E976 PolarHBondContact NE-OE1 2.84Å; R936-E976 IonicContact NH2-OE1 3.03Å; R936-E976 PolarHBondContact NH2-OE1 2.75Å; R936-E976 IonicContact NH2-OE2 3.64Å; R936-E976 PolarHBondContact NH2-OE2 2.87Å |
| 937 | N | 91.8 | Very high | 93.2 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -79.8 | -31.7 | 178.1 | -79.9 | -75.6 | 0 | 0 | 0 | 114.1 | D933 L934 I935 T1230 I1233 | D933-N937 WeakPolarHBondContact O-CB 3.44Å; D933-N937 PolarHBondContact O-N 3.03Å; D933-N937 PolarHBondContact O-ND2 2.67Å; L934-N937 PolarHBondContact O-N 2.86Å; I935-N937 VanDerWaalsContact C-N 3.28Å; I935-N937 PolarHBondContact O-N 2.92Å; N937-T1230 VanDerWaalsContact OD1-CG2 3.31Å; N937-T1230 WeakPolarHBondContact OD1-CG2 3.41Å; N937-I1233 HydrophobicContact CB-CD1 4.08Å |
| 938 | L | 92.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -77.7 | -47.8 | 178.8 | -77.8 | 168.5 | 0 | 0 | 0 | 112.2 | L934 I935 P940 K941 L942 L950 L1220 Y1223 I1227 | L934-L938 HydrophobicContact CD1-CD1 3.54Å; L934-L938 HydrophobicContact CD1-CG 4.03Å; L934-L938 HydrophobicContact CG-CD1 3.73Å; L934-L938 WeakPolarHBondContact O-CB 3.35Å; L934-L938 VanDerWaalsContact O-CG 3.3Å; L934-L938 WeakPolarHBondContact O-CG 3.43Å; L934-L938 PolarHBondContact O-N 3.35Å; I935-L938 PolarHBondContact O-N 3.31Å; I935-L938 VanDerWaalsContact O-N 3.16Å; L938-P940 VanDerWaalsContact C-CD 3.48Å; L938-K941 PolarHBondContact O-N 3.09Å; L938-L942 HydrophobicContact CB-CD1 4.17Å; L938-L950 HydrophobicContact CB-CD2 4.41Å; L938-L950 HydrophobicContact CD1-CD2 3.75Å; L938-L1220 HydrophobicContact CD1-CD2 3.75Å; L938-Y1223 VanDerWaalsContact CD2-CB 3.4Å; L938-Y1223 HydrophobicContact CD2-CD2 4.22Å; L938-Y1223 HydrophobicContact CD2-CG 4.08Å; L938-I1227 HydrophobicContact CD2-CD1 4.44Å; L938-I1227 HydrophobicContact CD2-CG2 3.58Å; L938-I1227 HydrophobicContact CG-CG2 4.26Å |
| 939 | E | 92.6 | Very high | 93.2 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -51.4 | -46.4 | -163.7 | -176.5 | 178.4 | 169.5 | 0 | 0 | 114.5 | I935 K941 L942 K947 S992 A993 | I935-E939 VanDerWaalsContact O-CB 3.27Å; I935-E939 WeakPolarHBondContact O-CB 3.49Å; I935-E939 PolarHBondContact O-N 2.95Å; E939-K941 PolarHBondContact O-N 2.8Å; E939-L942 PolarHBondContact O-N 2.83Å; E939-L942 VanDerWaalsContact O-N 3.15Å; E939-K947 HydrophobicContact CG-CD 3.96Å; E939-K947 WeakPolarHBondContact O-CE 3.44Å; E939-K947 IonicContact OE1-NZ 2.71Å; E939-K947 PolarHBondContact OE1-NZ 3.01Å; E939-S992 WeakPolarHBondContact OE1-CA 3.42Å; E939-A993 VanDerWaalsContact CD-N 3.29Å; E939-A993 HydrophobicContact CG-CB 4.35Å; E939-A993 PolarHBondContact OE1-N 2.81Å; E939-A993 WeakPolarHBondContact OE2-CB 3.18Å; E939-A993 PolarHBondContact OE2-N 2.96Å |
| 940 | P | 90.8 | Very high | 93.3 | Very high | 110 Ų | 110 | 47.5 Ų | 47.5 | 71% | 0.714 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -62.2 | -18.3 | -178.8 | -23.4 | 35.4 | 0 | 0 | 0 | 113.9 | R936 L938 | R936-P940 WeakPolarHBondContact O-CD 3.27Å; L938-P940 VanDerWaalsContact C-CD 3.48Å |
| 941 | K | 90.4 | Very high | 93.3 | Very high | 96 Ų | 96 | 45.7 Ų | 45.7 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -101.9 | -0.9 | -177.2 | -52.7 | -165.9 | -173.6 | -165.2 | 0 | 113.4 | L938 E939 K1226 I1227 N1228 | L938-K941 PolarHBondContact O-N 3.09Å; E939-K941 PolarHBondContact O-N 2.8Å; K941-K1226 WeakPolarHBondContact CD-O 3.41Å; K941-K1226 WeakPolarHBondContact CE-O 3.37Å; K941-K1226 PolarHBondContact NZ-O 3.15Å; K941-I1227 HydrophobicContact CD-CG2 4.43Å; K941-N1228 PolarHBondContact NZ-OD1 3.39Å |
| 942 | L | 92.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | trans | -104.2 | 138 | -176.9 | -61.9 | -174.2 | 0 | 0 | 0 | 113.2 | L938 E939 Q946 K947 L950 Y1223 | L938-L942 HydrophobicContact CB-CD1 4.17Å; E939-L942 PolarHBondContact O-N 2.83Å; E939-L942 VanDerWaalsContact O-N 3.15Å; L942-Q946 HydrophobicContact CB-CB 4.17Å; L942-Q946 HydrophobicContact CD2-CB 4.23Å; L942-K947 HydrophobicContact CB-CG 3.69Å; L942-K947 HydrophobicContact CD1-CG 4.4Å; L942-K947 WeakPolarHBondContact O-CE 3.34Å; L942-L950 HydrophobicContact CD1-CD2 3.65Å; L942-Y1223 HydrophobicContact CD1-CE2 4.41Å; L942-Y1223 HydrophobicContact CD2-CD1 3.38Å; L942-Y1223 HydrophobicContact CD2-CD2 3.97Å; L942-Y1223 HydrophobicContact CD2-CE1 3.32Å; L942-Y1223 HydrophobicContact CD2-CE2 3.92Å; L942-Y1223 HydrophobicContact CD2-CG 3.75Å | ||
| 943 | S | 93 | Very high | 93.5 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 42% | 0.42 | 23% | 0.227 | S | C | . | . | trans | -71 | 160.5 | 166.3 | 68.3 | 0 | 0 | 0 | 0 | 111.7 | K945 Q946 K947 | S943-K945 VanDerWaalsContact C-N 3.29Å; S943-K945 PolarHBondContact O-N 2.89Å; S943-Q946 VanDerWaalsContact N-OE1 3.09Å; S943-Q946 WeakPolarHBondContact O-CA 3.37Å; S943-Q946 WeakPolarHBondContact O-CB 3.36Å; S943-Q946 PolarHBondContact O-N 3.45Å; S943-Q946 VanDerWaalsContact OG-CD 3.28Å; S943-Q946 WeakPolarHBondContact OG-CG 3.25Å; S943-Q946 PolarHBondContact OG-OE1 3.49Å; S943-K947 PolarHBondContact O-N 3Å | ||
| 944 | A | 91.2 | Very high | 93.7 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 40% | 0.397 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.5 | -37.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K947 E948 N991 | A944-K947 PolarHBondContact O-N 3.46Å; A944-E948 PolarHBondContact O-N 3.09Å; A944-E948 VanDerWaalsContact O-N 3.1Å; A944-N991 HydrophobicContact CB-CB 4.24Å |
| 945 | K | 90.9 | Very high | 93.8 | Very high | 100 Ų | 100 | 41.6 Ų | 41.6 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65 | -39.6 | 174.6 | -176.6 | 179.1 | 177.5 | -175.8 | 0 | 111.8 | E747 S943 E948 E949 | E747-K945 IonicContact OE2-NZ 2.7Å; E747-K945 PolarHBondContact OE2-NZ 3.47Å; S943-K945 VanDerWaalsContact C-N 3.29Å; S943-K945 PolarHBondContact O-N 2.89Å; K945-E948 WeakPolarHBondContact O-CB 3.23Å; K945-E948 PolarHBondContact O-N 2.96Å; K945-E949 WeakPolarHBondContact CE-OE1 3.28Å; K945-E949 WeakPolarHBondContact O-CG 3.44Å; K945-E949 PolarHBondContact O-N 2.97Å |
| 946 | Q | 93.2 | Very high | 93.9 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.7 | -35 | 179.2 | -71.6 | 170.9 | -46.7 | 0 | 0 | 112.6 | L942 S943 L950 Y1223 | L942-Q946 HydrophobicContact CB-CB 4.17Å; L942-Q946 HydrophobicContact CD2-CB 4.23Å; S943-Q946 VanDerWaalsContact N-OE1 3.09Å; S943-Q946 WeakPolarHBondContact O-CA 3.37Å; S943-Q946 WeakPolarHBondContact O-CB 3.36Å; S943-Q946 PolarHBondContact O-N 3.45Å; S943-Q946 VanDerWaalsContact OG-CD 3.28Å; S943-Q946 WeakPolarHBondContact OG-CG 3.25Å; S943-Q946 PolarHBondContact OG-OE1 3.49Å; Q946-L950 WeakPolarHBondContact O-CB 3.49Å; Q946-L950 PolarHBondContact O-N 3.37Å; Q946-Y1223 HydrophobicContact CB-CE1 4.41Å; Q946-Y1223 VanDerWaalsContact CB-OH 3.24Å; Q946-Y1223 WeakPolarHBondContact CB-OH 3.33Å; Q946-Y1223 HydrophobicContact CG-CE1 4.33Å; Q946-Y1223 VanDerWaalsContact CG-OH 3.25Å; Q946-Y1223 WeakPolarHBondContact CG-OH 3.4Å |
| 947 | K | 94.6 | Very high | 94.1 | Very high | 30 Ų | 30 | 37 Ų | 37 | 13% | 0.13 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 169.2 | -66.2 | -173.3 | -172.6 | -168.1 | 0 | 110.3 | E939 L942 S943 A944 L950 T951 N991 | E939-K947 HydrophobicContact CG-CD 3.96Å; E939-K947 WeakPolarHBondContact O-CE 3.44Å; E939-K947 IonicContact OE1-NZ 2.71Å; E939-K947 PolarHBondContact OE1-NZ 3.01Å; L942-K947 HydrophobicContact CB-CG 3.69Å; L942-K947 HydrophobicContact CD1-CG 4.4Å; L942-K947 WeakPolarHBondContact O-CE 3.34Å; S943-K947 PolarHBondContact O-N 3Å; A944-K947 PolarHBondContact O-N 3.46Å; K947-L950 PolarHBondContact O-N 3.26Å; K947-T951 WeakPolarHBondContact O-CB 3.29Å; K947-T951 VanDerWaalsContact O-CG2 3.32Å; K947-T951 WeakPolarHBondContact O-CG2 3.39Å; K947-T951 PolarHBondContact O-N 3.36Å; K947-T951 PolarHBondContact O-OG1 2.97Å; K947-N991 WeakPolarHBondContact CD-O 3.39Å; K947-N991 PolarHBondContact NZ-O 3.35Å |
| 948 | E | 95 | Very high | 94.3 | Very high | 75 Ų | 75 | 35.6 Ų | 35.6 | 35% | 0.35 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 177.1 | 169.7 | 158.7 | -148.8 | 0 | 0 | 113.7 | A944 K945 L950 T951 S952 K996 | A944-E948 PolarHBondContact O-N 3.09Å; A944-E948 VanDerWaalsContact O-N 3.1Å; K945-E948 WeakPolarHBondContact O-CB 3.23Å; K945-E948 PolarHBondContact O-N 2.96Å; E948-L950 VanDerWaalsContact C-N 3.33Å; E948-L950 PolarHBondContact O-N 3.36Å; E948-T951 PolarHBondContact O-OG1 3.14Å; E948-S952 VanDerWaalsContact O-CB 3.27Å; E948-S952 WeakPolarHBondContact O-CB 3.48Å; E948-S952 PolarHBondContact O-N 3.08Å; E948-K996 VanDerWaalsContact CA-CG 3.48Å; E948-K996 HydrophobicContact CB-CD 3.8Å; E948-K996 HydrophobicContact CB-CG 3.67Å; E948-K996 HydrophobicContact CG-CD 4.27Å; E948-K996 HydrophobicContact CG-CG 4.41Å; E948-K996 VanDerWaalsContact OE1-CE 3.32Å; E948-K996 WeakPolarHBondContact OE1-CE 3.33Å; E948-K996 IonicContact OE1-NZ 2.78Å; E948-K996 PolarHBondContact OE1-NZ 2.91Å; E948-K996 WeakPolarHBondContact OE2-CE 3.48Å; E948-K996 IonicContact OE2-NZ 2.8Å; E948-K996 PolarHBondContact OE2-NZ 3.34Å |
| 949 | E | 93.5 | Very high | 94.4 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 29% | 0.29 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 177.4 | -72.4 | 166.7 | -176.8 | 0 | 0 | 111.7 | K945 L1219 | K945-E949 WeakPolarHBondContact CE-OE1 3.28Å; K945-E949 WeakPolarHBondContact O-CG 3.44Å; K945-E949 PolarHBondContact O-N 2.97Å; E949-L1219 HydrophobicContact CB-CD1 4.26Å; E949-L1219 HydrophobicContact CB-CD2 4.34Å |
| 950 | L | 96.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.9 | -51.5 | 176.8 | -176.3 | 69.7 | 0 | 0 | 0 | 112.2 | L938 L942 Q946 K947 E948 S952 C953 F954 L1216 L1220 | L938-L950 HydrophobicContact CB-CD2 4.41Å; L938-L950 HydrophobicContact CD1-CD2 3.75Å; L942-L950 HydrophobicContact CD1-CD2 3.65Å; Q946-L950 WeakPolarHBondContact O-CB 3.49Å; Q946-L950 PolarHBondContact O-N 3.37Å; K947-L950 PolarHBondContact O-N 3.26Å; E948-L950 VanDerWaalsContact C-N 3.33Å; E948-L950 PolarHBondContact O-N 3.36Å; L950-S952 VanDerWaalsContact C-N 3.27Å; L950-S952 PolarHBondContact O-N 3.31Å; L950-C953 PolarHBondContact O-N 3.3Å; L950-C953 VanDerWaalsContact O-N 3.14Å; L950-F954 HydrophobicContact CD1-CD2 4.28Å; L950-F954 HydrophobicContact CD1-CE2 3.77Å; L950-F954 HydrophobicContact CD2-CE2 4.23Å; L950-F954 HydrophobicContact CG-CD2 4.01Å; L950-F954 HydrophobicContact CG-CE2 3.76Å; L950-F954 WeakPolarHBondContact O-CD2 3.19Å; L950-F954 PolarHBondContact O-N 2.94Å; L950-L1216 HydrophobicContact CD1-CD1 3.74Å; L950-L1220 HydrophobicContact CD1-CD2 4.28Å |
| 951 | T | 96 | Very high | 94.4 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.4 | -31.3 | -177.4 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | K947 E948 C953 F954 V955 A993 A997 | K947-T951 WeakPolarHBondContact O-CB 3.29Å; K947-T951 VanDerWaalsContact O-CG2 3.32Å; K947-T951 WeakPolarHBondContact O-CG2 3.39Å; K947-T951 PolarHBondContact O-N 3.36Å; K947-T951 PolarHBondContact O-OG1 2.97Å; E948-T951 PolarHBondContact O-OG1 3.14Å; T951-C953 VanDerWaalsContact C-N 3.35Å; T951-F954 PolarHBondContact O-N 3.37Å; T951-V955 WeakPolarHBondContact O-CB 3.4Å; T951-V955 VanDerWaalsContact O-CG2 3.29Å; T951-V955 WeakPolarHBondContact O-CG2 3.37Å; T951-V955 PolarHBondContact O-N 3.22Å; T951-A993 HydrophobicContact CG2-CB 4.14Å; T951-A993 WeakPolarHBondContact CG2-O 3.15Å; T951-A997 HydrophobicContact CG2-CB 4.09Å |
| 952 | S | 96.2 | Very high | 94.4 | Very high | 28 Ų | 28 | 34 Ų | 34 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 173.2 | -179 | 0 | 0 | 0 | 0 | 112.2 | E948 L950 N956 | E948-S952 VanDerWaalsContact O-CB 3.27Å; E948-S952 WeakPolarHBondContact O-CB 3.48Å; E948-S952 PolarHBondContact O-N 3.08Å; L950-S952 VanDerWaalsContact C-N 3.27Å; L950-S952 PolarHBondContact O-N 3.31Å; S952-N956 WeakPolarHBondContact O-CB 3.32Å; S952-N956 PolarHBondContact O-N 2.77Å; S952-N956 VanDerWaalsContact O-N 3.1Å; S952-N956 PolarHBondContact O-OD1 3.17Å |
| 953 | C | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 175.4 | -69.4 | 0 | 0 | 0 | 0 | 111.3 | L950 T951 N956 I957 E1212 K1215 L1216 | L950-C953 PolarHBondContact O-N 3.3Å; L950-C953 VanDerWaalsContact O-N 3.14Å; T951-C953 VanDerWaalsContact C-N 3.35Å; C953-N956 PolarHBondContact O-N 3.03Å; C953-I957 WeakPolarHBondContact O-CB 3.49Å; C953-I957 WeakPolarHBondContact O-CD1 3.34Å; C953-I957 VanDerWaalsContact O-CG1 3.22Å; C953-I957 WeakPolarHBondContact O-CG1 3.33Å; C953-I957 PolarHBondContact O-N 3.07Å; C953-E1212 PolarHBondContact SG-OE2 3.13Å; C953-K1215 WeakPolarHBondContact SG-CE 3.43Å; C953-K1215 PolarHBondContact SG-NZ 2.92Å; C953-L1216 HydrophobicContact CB-CB 4.16Å; C953-L1216 HydrophobicContact CB-CD1 4.28Å |
| 954 | F | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 176.3 | -82.1 | -77.9 | 0 | 0 | 0 | 112.1 | I927 L934 I935 L950 T951 N956 I957 F958 F969 L1216 | I927-F954 HydrophobicContact CD1-CE1 3.67Å; I927-F954 HydrophobicContact CD1-CZ 3.89Å; I927-F954 HydrophobicContact CG2-CD1 4.16Å; I927-F954 HydrophobicContact CG2-CE1 3.89Å; L934-F954 HydrophobicContact CD2-CZ 3.95Å; I935-F954 HydrophobicContact CD1-CD2 4.22Å; I935-F954 HydrophobicContact CD1-CE1 4.48Å; I935-F954 HydrophobicContact CD1-CE2 4.15Å; I935-F954 HydrophobicContact CD1-CG 4.44Å; I935-F954 HydrophobicContact CD1-CZ 4.28Å; I935-F954 HydrophobicContact CG1-CD2 4.47Å; I935-F954 HydrophobicContact CG1-CE2 3.95Å; I935-F954 HydrophobicContact CG1-CZ 4.08Å; L950-F954 HydrophobicContact CD1-CD2 4.28Å; L950-F954 HydrophobicContact CD1-CE2 3.77Å; L950-F954 HydrophobicContact CD2-CE2 4.23Å; L950-F954 HydrophobicContact CG-CD2 4.01Å; L950-F954 HydrophobicContact CG-CE2 3.76Å; L950-F954 WeakPolarHBondContact O-CD2 3.19Å; L950-F954 PolarHBondContact O-N 2.94Å; T951-F954 PolarHBondContact O-N 3.37Å; F954-N956 PolarHBondContact O-N 3.47Å; F954-I957 PolarHBondContact O-N 3.44Å; F954-F958 HydrophobicContact CD1-CD2 4.49Å; F954-F958 HydrophobicContact CD1-CE2 4.07Å; F954-F958 WeakPolarHBondContact O-CB 3.37Å; F954-F958 VanDerWaalsContact O-CD2 3.3Å; F954-F958 WeakPolarHBondContact O-CD2 3.34Å; F954-F958 PolarHBondContact O-N 2.77Å; F954-F969 HydrophobicContact CB-CE1 4.27Å; F954-F969 HydrophobicContact CB-CE2 4.25Å; F954-F969 HydrophobicContact CB-CZ 3.67Å; F954-F969 HydrophobicContact CD1-CE2 4.41Å; F954-F969 HydrophobicContact CG-CZ 4.31Å; F954-L1216 HydrophobicContact CE2-CD1 4.35Å |
| 955 | V | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.1 | -49.2 | 178 | 167.5 | 0 | 0 | 0 | 0 | 111.2 | T951 I957 F958 E959 F969 A997 C1000 Y1001 L1004 | T951-V955 WeakPolarHBondContact O-CB 3.4Å; T951-V955 VanDerWaalsContact O-CG2 3.29Å; T951-V955 WeakPolarHBondContact O-CG2 3.37Å; T951-V955 PolarHBondContact O-N 3.22Å; V955-I957 PolarHBondContact O-N 3.35Å; V955-F958 PolarHBondContact O-N 2.89Å; V955-E959 VanDerWaalsContact O-CB 3.3Å; V955-E959 WeakPolarHBondContact O-CB 3.38Å; V955-E959 PolarHBondContact O-N 3.33Å; V955-F969 HydrophobicContact CG2-CE1 4.08Å; V955-A997 HydrophobicContact CG2-CB 4.02Å; V955-A997 WeakPolarHBondContact CG2-O 3.32Å; V955-C1000 HydrophobicContact CG2-CB 4.38Å; V955-Y1001 HydrophobicContact CG1-CD2 3.66Å; V955-Y1001 HydrophobicContact CG1-CG 4.21Å; V955-L1004 HydrophobicContact CG1-CD2 4.34Å |
| 956 | N | 96.1 | Very high | 94.8 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 11% | 0.107 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.8 | -36.6 | -178.1 | -67.8 | -2.5 | 0 | 0 | 0 | 112.2 | S952 C953 F954 K960 I1207 E1212 | S952-N956 WeakPolarHBondContact O-CB 3.32Å; S952-N956 PolarHBondContact O-N 2.77Å; S952-N956 VanDerWaalsContact O-N 3.1Å; S952-N956 PolarHBondContact O-OD1 3.17Å; C953-N956 PolarHBondContact O-N 3.03Å; F954-N956 PolarHBondContact O-N 3.47Å; N956-K960 VanDerWaalsContact O-CB 3.23Å; N956-K960 WeakPolarHBondContact O-CB 3.46Å; N956-K960 PolarHBondContact O-N 2.94Å; N956-K960 VanDerWaalsContact O-N 3.11Å; N956-I1207 HydrophobicContact CB-CD1 4.33Å; N956-I1207 HydrophobicContact CB-CG1 4.33Å; N956-I1207 HydrophobicContact CB-CG2 3.98Å; N956-E1212 HydrophobicContact CB-CG 3.83Å; N956-E1212 PolarHBondContact ND2-OE1 3.27Å |
| 957 | I | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.3 | -45.2 | 176.5 | -71.7 | 165.3 | 0 | 0 | 0 | 111.2 | C953 F954 V955 K960 L961 L1209 E1212 F1213 L1216 | C953-I957 WeakPolarHBondContact O-CB 3.49Å; C953-I957 WeakPolarHBondContact O-CD1 3.34Å; C953-I957 VanDerWaalsContact O-CG1 3.22Å; C953-I957 WeakPolarHBondContact O-CG1 3.33Å; C953-I957 PolarHBondContact O-N 3.07Å; F954-I957 PolarHBondContact O-N 3.44Å; V955-I957 PolarHBondContact O-N 3.35Å; I957-K960 PolarHBondContact O-N 3Å; I957-L961 HydrophobicContact CG2-CD1 3.67Å; I957-L961 WeakPolarHBondContact O-CB 3.4Å; I957-L961 WeakPolarHBondContact O-CG 3.46Å; I957-L961 PolarHBondContact O-N 3.11Å; I957-L1209 HydrophobicContact CB-CD1 4.45Å; I957-L1209 HydrophobicContact CG1-CD1 4.1Å; I957-L1209 HydrophobicContact CG2-CD1 4.46Å; I957-E1212 HydrophobicContact CD1-CB 4.29Å; I957-E1212 HydrophobicContact CG1-CB 3.94Å; I957-F1213 HydrophobicContact CD1-CD1 3.95Å; I957-F1213 HydrophobicContact CD1-CE1 3.94Å; I957-F1213 HydrophobicContact CD1-CG 4.43Å; I957-F1213 HydrophobicContact CD1-CZ 4.42Å; I957-F1213 HydrophobicContact CG1-CE1 4.49Å; I957-F1213 HydrophobicContact CG1-CZ 4.49Å; I957-F1213 HydrophobicContact CG2-CE1 4.2Å; I957-F1213 HydrophobicContact CG2-CZ 3.86Å; I957-L1216 HydrophobicContact CD1-CB 4.39Å; I957-L1216 HydrophobicContact CD1-CD2 3.63Å |
| 958 | F | 96.7 | Very high | 94.9 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.7 | -32.5 | 178.5 | -86.9 | -108 | 0 | 0 | 0 | 112.6 | I927 Y931 F954 V955 L964 V966 F969 | I927-F958 HydrophobicContact CG2-CE2 3.89Å; Y931-F958 HydrophobicContact CD1-CE1 4.39Å; Y931-F958 AromaticContact CD1-CZ 3.65Å; Y931-F958 HydrophobicContact CD1-CZ 3.65Å; Y931-F958 HydrophobicContact CE1-CE1 4.31Å; Y931-F958 HydrophobicContact CE1-CZ 4.02Å; Y931-F958 HydrophobicContact CG-CE2 4.48Å; Y931-F958 AromaticContact CG-CZ 3.92Å; Y931-F958 HydrophobicContact CG-CZ 3.92Å; F954-F958 HydrophobicContact CD1-CD2 4.49Å; F954-F958 HydrophobicContact CD1-CE2 4.07Å; F954-F958 WeakPolarHBondContact O-CB 3.37Å; F954-F958 VanDerWaalsContact O-CD2 3.3Å; F954-F958 WeakPolarHBondContact O-CD2 3.34Å; F954-F958 PolarHBondContact O-N 2.77Å; V955-F958 PolarHBondContact O-N 2.89Å; F958-L964 HydrophobicContact CB-CB 4.48Å; F958-L964 HydrophobicContact CD1-CB 3.76Å; F958-L964 HydrophobicContact CD1-CD1 3.93Å; F958-L964 HydrophobicContact CD1-CD2 4.39Å; F958-L964 HydrophobicContact CD1-CG 4.25Å; F958-L964 HydrophobicContact CD2-CD1 3.94Å; F958-L964 HydrophobicContact CE1-CB 4.24Å; F958-L964 HydrophobicContact CE1-CD1 4.05Å; F958-L964 HydrophobicContact CE1-CD2 4.01Å; F958-L964 HydrophobicContact CE1-CG 4.34Å; F958-L964 HydrophobicContact CE2-CD1 4.06Å; F958-L964 HydrophobicContact CG-CB 4.22Å; F958-L964 HydrophobicContact CG-CD1 3.88Å; F958-L964 HydrophobicContact CZ-CD1 4.12Å; F958-L964 HydrophobicContact CZ-CD2 4.39Å; F958-V966 VanDerWaalsContact C-CG2 3.5Å; F958-V966 HydrophobicContact CB-CG2 3.67Å; F958-F969 HydrophobicContact CD1-CB 3.47Å; F958-F969 VanDerWaalsContact CD1-CB 3.47Å; F958-F969 HydrophobicContact CD1-CD2 4.21Å; F958-F969 AromaticContact CD1-CG 3.89Å; F958-F969 HydrophobicContact CD1-CG 3.89Å; F958-F969 HydrophobicContact CD2-CD2 4.37Å; F958-F969 HydrophobicContact CD2-CG 4.45Å; F958-F969 HydrophobicContact CE1-CB 3.74Å; F958-F969 AromaticContact CE1-CD2 4Å; F958-F969 HydrophobicContact CE1-CD2 4Å; F958-F969 HydrophobicContact CE1-CG 4.1Å; F958-F969 HydrophobicContact CE2-CD2 4.16Å; F958-F969 HydrophobicContact CG-CB 4.1Å; F958-F969 HydrophobicContact CG-CD1 4.48Å; F958-F969 HydrophobicContact CG-CD2 4.39Å; F958-F969 HydrophobicContact CG-CG 4.08Å; F958-F969 AromaticContact CZ-CD2 3.97Å; F958-F969 HydrophobicContact CZ-CD2 3.97Å; F958-F969 HydrophobicContact CZ-CG 4.47Å |
| 959 | E | 94.2 | Very high | 95 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71 | -41 | 176.7 | -177.2 | 66.3 | -174.8 | 0 | 0 | 111.1 | V955 V966 Y1001 L1004 C1203 H1204 I1207 | V955-E959 VanDerWaalsContact O-CB 3.3Å; V955-E959 WeakPolarHBondContact O-CB 3.38Å; V955-E959 PolarHBondContact O-N 3.33Å; E959-V966 HydrophobicContact CB-CG2 3.82Å; E959-V966 VanDerWaalsContact N-CG2 3.26Å; E959-V966 WeakPolarHBondContact OE2-CG2 3.42Å; E959-Y1001 VanDerWaalsContact OE2-CE2 3.25Å; E959-Y1001 WeakPolarHBondContact OE2-CE2 3.38Å; E959-Y1001 PolarHBondContact OE2-OH 3.36Å; E959-L1004 HydrophobicContact CG-CD2 4.41Å; E959-C1203 PolarHBondContact OE1-SG 2.85Å; E959-H1204 PolarHBondContact O-CE1 3.06Å; E959-H1204 PolarHBondContact O-NE2 3.06Å; E959-H1204 IonicContact OE1-CE1 3.23Å; E959-H1204 PolarHBondContact OE1-CE1 3.14Å; E959-H1204 IonicContact OE1-ND1 2.89Å; E959-H1204 PolarHBondContact OE1-ND1 3.44Å; E959-I1207 HydrophobicContact CB-CD1 3.89Å; E959-I1207 HydrophobicContact CG-CD1 3.8Å |
| 960 | K | 91.7 | Very high | 95.1 | Very high | 52 Ų | 52 | 26.9 Ų | 26.9 | 23% | 0.226 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -81.2 | -18.1 | -172.8 | -171.8 | 55.5 | 168.9 | -178.4 | 0 | 114 | N956 I957 H1204 I1207 L1209 | N956-K960 VanDerWaalsContact O-CB 3.23Å; N956-K960 WeakPolarHBondContact O-CB 3.46Å; N956-K960 PolarHBondContact O-N 2.94Å; N956-K960 VanDerWaalsContact O-N 3.11Å; I957-K960 PolarHBondContact O-N 3Å; K960-H1204 PolarHBondContact NZ-O 3.19Å; K960-I1207 HydrophobicContact CB-CB 4.25Å; K960-I1207 HydrophobicContact CB-CD1 4.24Å; K960-I1207 HydrophobicContact CB-CG2 3.82Å; K960-I1207 HydrophobicContact CD-CB 4.24Å; K960-I1207 HydrophobicContact CD-CG2 4.49Å; K960-I1207 WeakPolarHBondContact CE-O 3.47Å; K960-I1207 HydrophobicContact CG-CB 4.26Å; K960-I1207 HydrophobicContact CG-CG2 3.97Å; K960-L1209 HydrophobicContact CB-CD1 4.31Å; K960-L1209 HydrophobicContact CG-CB 4.23Å; K960-L1209 HydrophobicContact CG-CD1 4.33Å |
| 961 | L | 93.2 | Very high | 95.1 | Very high | 11 Ų | 11 | 27 Ų | 27 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | trans | -97 | 118.2 | -175.9 | -78.4 | 174.2 | 0 | 0 | 0 | 111.7 | K924 I957 D963 L964 L1209 F1213 | K924-L961 HydrophobicContact CD-CD1 4.04Å; K924-L961 HydrophobicContact CD-CD2 4.07Å; K924-L961 HydrophobicContact CG-CD1 4Å; I957-L961 HydrophobicContact CG2-CD1 3.67Å; I957-L961 WeakPolarHBondContact O-CB 3.4Å; I957-L961 WeakPolarHBondContact O-CG 3.46Å; I957-L961 PolarHBondContact O-N 3.11Å; L961-D963 PolarHBondContact O-N 2.86Å; L961-D963 VanDerWaalsContact O-N 3.15Å; L961-L964 HydrophobicContact CB-CB 4.21Å; L961-L964 HydrophobicContact CB-CD1 3.98Å; L961-L964 HydrophobicContact CB-CG 4.07Å; L961-L964 HydrophobicContact CD1-CD1 3.58Å; L961-L964 HydrophobicContact CD1-CG 4.36Å; L961-L964 HydrophobicContact CG-CD1 4.44Å; L961-L964 PolarHBondContact O-N 3.39Å; L961-L964 VanDerWaalsContact O-N 3.09Å; L961-L1209 HydrophobicContact CD2-CD2 3.65Å; L961-L1209 HydrophobicContact CG-CD1 4.26Å; L961-L1209 HydrophobicContact CG-CD2 4.16Å; L961-F1213 HydrophobicContact CD1-CZ 4.39Å | ||
| 962 | P | 89.9 | Confident | 95 | Very high | 132 Ų | 132 | 27.9 Ų | 27.9 | 86% | 0.857 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -12.4 | -175 | 31.4 | -37.5 | 0 | 0 | 0 | 113.9 | ||
| 963 | D | 91.2 | Very high | 94.9 | Very high | 65 Ų | 65 | 26.6 Ų | 26.6 | 35% | 0.348 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 9.2 | 175.3 | 65.8 | -60.9 | 0 | 0 | 0 | 113.5 | K924 K928 L961 | K924-D963 WeakPolarHBondContact CE-OD1 3.16Å; K924-D963 WeakPolarHBondContact CE-OD2 3.44Å; K924-D963 IonicContact NZ-OD1 2.89Å; K924-D963 PolarHBondContact NZ-OD1 2.89Å; K924-D963 IonicContact NZ-OD2 2.9Å; K924-D963 PolarHBondContact NZ-OD2 3.3Å; K928-D963 IonicContact NZ-OD2 3.21Å; K928-D963 PolarHBondContact NZ-OD2 3.37Å; L961-D963 PolarHBondContact O-N 2.86Å; L961-D963 VanDerWaalsContact O-N 3.15Å |
| 964 | L | 93.8 | Very high | 94.7 | Very high | 30 Ų | 30 | 26.6 Ų | 26.6 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -125.4 | 158.5 | 173.3 | -62.7 | -178.5 | 0 | 0 | 0 | 110.1 | K928 F958 L961 | K928-L964 HydrophobicContact CB-CD2 4.01Å; K928-L964 HydrophobicContact CD-CD2 4.09Å; K928-L964 HydrophobicContact CG-CD2 3.7Å; F958-L964 HydrophobicContact CB-CB 4.48Å; F958-L964 HydrophobicContact CD1-CB 3.76Å; F958-L964 HydrophobicContact CD1-CD1 3.93Å; F958-L964 HydrophobicContact CD1-CD2 4.39Å; F958-L964 HydrophobicContact CD1-CG 4.25Å; F958-L964 HydrophobicContact CD2-CD1 3.94Å; F958-L964 HydrophobicContact CE1-CB 4.24Å; F958-L964 HydrophobicContact CE1-CD1 4.05Å; F958-L964 HydrophobicContact CE1-CD2 4.01Å; F958-L964 HydrophobicContact CE1-CG 4.34Å; F958-L964 HydrophobicContact CE2-CD1 4.06Å; F958-L964 HydrophobicContact CG-CB 4.22Å; F958-L964 HydrophobicContact CG-CD1 3.88Å; F958-L964 HydrophobicContact CZ-CD1 4.12Å; F958-L964 HydrophobicContact CZ-CD2 4.39Å; L961-L964 HydrophobicContact CB-CB 4.21Å; L961-L964 HydrophobicContact CB-CD1 3.98Å; L961-L964 HydrophobicContact CB-CG 4.07Å; L961-L964 HydrophobicContact CD1-CD1 3.58Å; L961-L964 HydrophobicContact CD1-CG 4.36Å; L961-L964 HydrophobicContact CG-CD1 4.44Å; L961-L964 PolarHBondContact O-N 3.39Å; L961-L964 VanDerWaalsContact O-N 3.09Å |
| 965 | S | 94.2 | Very high | 94.4 | Very high | 50 Ų | 50 | 31.4 Ų | 31.4 | 35% | 0.35 | 17% | 0.168 | S | C | . | . | trans | -125.8 | 120.4 | 175.4 | 172 | 0 | 0 | 0 | 0 | 110 | A967 E968 F969 | S965-A967 VanDerWaalsContact C-N 3.28Å; S965-A967 PolarHBondContact O-N 3.06Å; S965-A967 PolarHBondContact OG-N 2.9Å; S965-E968 PolarHBondContact O-N 3.45Å; S965-E968 PolarHBondContact OG-N 3.26Å; S965-F969 WeakPolarHBondContact O-CB 3.43Å; S965-F969 PolarHBondContact O-N 3.12Å | ||
| 966 | V | 95.7 | Very high | 94 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.4 | -37.1 | 171.1 | 163.3 | 0 | 0 | 0 | 0 | 111.5 | F958 E959 E968 F969 L970 Y1001 V1087 | F958-V966 VanDerWaalsContact C-CG2 3.5Å; F958-V966 HydrophobicContact CB-CG2 3.67Å; E959-V966 HydrophobicContact CB-CG2 3.82Å; E959-V966 VanDerWaalsContact N-CG2 3.26Å; E959-V966 WeakPolarHBondContact OE2-CG2 3.42Å; V966-E968 VanDerWaalsContact C-N 3.33Å; V966-E968 PolarHBondContact O-N 2.88Å; V966-F969 PolarHBondContact O-N 3.39Å; V966-L970 HydrophobicContact CG1-CD1 3.5Å; V966-L970 VanDerWaalsContact CG1-CD1 3.5Å; V966-L970 HydrophobicContact CG1-CG 3.94Å; V966-L970 WeakPolarHBondContact O-CB 3.37Å; V966-L970 WeakPolarHBondContact O-CG 3.49Å; V966-L970 PolarHBondContact O-N 3.33Å; V966-Y1001 HydrophobicContact CB-CE2 4.33Å; V966-Y1001 HydrophobicContact CG1-CD1 4.06Å; V966-Y1001 HydrophobicContact CG1-CD2 3.79Å; V966-Y1001 HydrophobicContact CG1-CE1 3.89Å; V966-Y1001 HydrophobicContact CG1-CE2 3.61Å; V966-Y1001 HydrophobicContact CG1-CG 3.97Å; V966-Y1001 HydrophobicContact CG2-CE2 4.39Å; V966-V1087 HydrophobicContact CG1-CG2 4.2Å |
| 967 | A | 95.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S965 S971 V1087 A1090 | S965-A967 VanDerWaalsContact C-N 3.28Å; S965-A967 PolarHBondContact O-N 3.06Å; S965-A967 PolarHBondContact OG-N 2.9Å; A967-S971 VanDerWaalsContact O-CB 3.28Å; A967-S971 WeakPolarHBondContact O-CB 3.26Å; A967-S971 PolarHBondContact O-N 2.92Å; A967-S971 VanDerWaalsContact O-N 3.15Å; A967-S971 PolarHBondContact O-OG 3.1Å; A967-V1087 HydrophobicContact CB-CG2 3.97Å; A967-A1090 HydrophobicContact CB-CB 4Å |
| 968 | E | 94.8 | Very high | 93.2 | Very high | 122 Ų | 122 | 32.8 Ų | 32.8 | 57% | 0.57 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -69.9 | -47.6 | 172.2 | -171.1 | 178.9 | 174 | 0 | 0 | 111.5 | S965 V966 L970 S971 V972 | S965-E968 PolarHBondContact O-N 3.45Å; S965-E968 PolarHBondContact OG-N 3.26Å; V966-E968 VanDerWaalsContact C-N 3.33Å; V966-E968 PolarHBondContact O-N 2.88Å; E968-L970 PolarHBondContact O-N 3.37Å; E968-S971 PolarHBondContact O-N 3.4Å; E968-S971 PolarHBondContact O-OG 3.46Å; E968-S971 VanDerWaalsContact O-OG 3.12Å; E968-V972 HydrophobicContact CG-CG2 4.14Å; E968-V972 VanDerWaalsContact O-CB 3.3Å; E968-V972 WeakPolarHBondContact O-CB 3.41Å; E968-V972 WeakPolarHBondContact O-CG2 3.22Å; E968-V972 PolarHBondContact O-N 3.5Å |
| 969 | F | 96.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.4 | -48.9 | 178 | 166.5 | -107.3 | 0 | 0 | 0 | 112.7 | Y931 I935 F954 V955 F958 S965 V966 L973 A997 | Y931-F969 AromaticContact CD2-CD2 3.64Å; Y931-F969 HydrophobicContact CD2-CD2 3.64Å; Y931-F969 AromaticContact CD2-CE2 3.64Å; Y931-F969 HydrophobicContact CD2-CE2 3.64Å; Y931-F969 AromaticContact CE2-CD2 3.49Å; Y931-F969 HydrophobicContact CE2-CD2 3.49Å; Y931-F969 VanDerWaalsContact CE2-CD2 3.49Å; Y931-F969 AromaticContact CE2-CE2 3.88Å; Y931-F969 HydrophobicContact CE2-CE2 3.88Å; Y931-F969 HydrophobicContact CG-CD2 4.37Å; Y931-F969 HydrophobicContact CG-CE2 4.46Å; I935-F969 HydrophobicContact CD1-CE2 4.03Å; I935-F969 HydrophobicContact CD1-CZ 4.33Å; F954-F969 HydrophobicContact CB-CE1 4.27Å; F954-F969 HydrophobicContact CB-CE2 4.25Å; F954-F969 HydrophobicContact CB-CZ 3.67Å; F954-F969 HydrophobicContact CD1-CE2 4.41Å; F954-F969 HydrophobicContact CG-CZ 4.31Å; V955-F969 HydrophobicContact CG2-CE1 4.08Å; F958-F969 HydrophobicContact CD1-CB 3.47Å; F958-F969 VanDerWaalsContact CD1-CB 3.47Å; F958-F969 HydrophobicContact CD1-CD2 4.21Å; F958-F969 AromaticContact CD1-CG 3.89Å; F958-F969 HydrophobicContact CD1-CG 3.89Å; F958-F969 HydrophobicContact CD2-CD2 4.37Å; F958-F969 HydrophobicContact CD2-CG 4.45Å; F958-F969 HydrophobicContact CE1-CB 3.74Å; F958-F969 AromaticContact CE1-CD2 4Å; F958-F969 HydrophobicContact CE1-CD2 4Å; F958-F969 HydrophobicContact CE1-CG 4.1Å; F958-F969 HydrophobicContact CE2-CD2 4.16Å; F958-F969 HydrophobicContact CG-CB 4.1Å; F958-F969 HydrophobicContact CG-CD1 4.48Å; F958-F969 HydrophobicContact CG-CD2 4.39Å; F958-F969 HydrophobicContact CG-CG 4.08Å; F958-F969 AromaticContact CZ-CD2 3.97Å; F958-F969 HydrophobicContact CZ-CD2 3.97Å; F958-F969 HydrophobicContact CZ-CG 4.47Å; S965-F969 WeakPolarHBondContact O-CB 3.43Å; S965-F969 PolarHBondContact O-N 3.12Å; V966-F969 PolarHBondContact O-N 3.39Å; F969-L973 HydrophobicContact CE1-CD2 4.44Å; F969-L973 HydrophobicContact CE2-CD2 4.16Å; F969-L973 HydrophobicContact CZ-CD2 3.83Å; F969-L973 WeakPolarHBondContact O-CB 3.42Å; F969-L973 PolarHBondContact O-N 3.43Å; F969-A997 HydrophobicContact CE1-CB 4.11Å; F969-A997 HydrophobicContact CZ-CB 4.45Å |
| 970 | L | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.2 | -39.6 | -179 | -68.7 | 176.9 | 0 | 0 | 0 | 112.3 | V966 E968 L974 A997 M998 Y1001 V1087 | V966-L970 HydrophobicContact CG1-CD1 3.5Å; V966-L970 VanDerWaalsContact CG1-CD1 3.5Å; V966-L970 HydrophobicContact CG1-CG 3.94Å; V966-L970 WeakPolarHBondContact O-CB 3.37Å; V966-L970 WeakPolarHBondContact O-CG 3.49Å; V966-L970 PolarHBondContact O-N 3.33Å; E968-L970 PolarHBondContact O-N 3.37Å; L970-L974 VanDerWaalsContact O-CB 3.3Å; L970-L974 WeakPolarHBondContact O-CB 3.48Å; L970-L974 WeakPolarHBondContact O-CD1 3.34Å; L970-L974 VanDerWaalsContact O-CG 3.3Å; L970-L974 WeakPolarHBondContact O-CG 3.41Å; L970-L974 PolarHBondContact O-N 2.95Å; L970-A997 HydrophobicContact CD2-CB 3.64Å; L970-M998 HydrophobicContact CD1-SD 4.01Å; L970-Y1001 HydrophobicContact CD1-CD1 3.72Å; L970-Y1001 HydrophobicContact CD1-CE1 4.44Å; L970-Y1001 HydrophobicContact CD1-CG 3.94Å; L970-V1087 HydrophobicContact CD1-CG1 3.97Å; L970-V1087 HydrophobicContact CD1-CG2 4.07Å |
| 971 | S | 94.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.7 | -42.1 | 179.1 | 67.5 | 0 | 0 | 0 | 0 | 112 | A967 E968 R975 | A967-S971 VanDerWaalsContact O-CB 3.28Å; A967-S971 WeakPolarHBondContact O-CB 3.26Å; A967-S971 PolarHBondContact O-N 2.92Å; A967-S971 VanDerWaalsContact O-N 3.15Å; A967-S971 PolarHBondContact O-OG 3.1Å; E968-S971 PolarHBondContact O-N 3.4Å; E968-S971 PolarHBondContact O-OG 3.46Å; E968-S971 VanDerWaalsContact O-OG 3.12Å; S971-R975 WeakPolarHBondContact O-CB 3.28Å; S971-R975 PolarHBondContact O-N 2.99Å |
| 972 | V | 94.2 | Very high | 90.3 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 13% | 0.127 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 174.2 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | L932 E968 R975 E976 | L932-V972 HydrophobicContact CD1-CG1 4.37Å; L932-V972 HydrophobicContact CD2-CG1 4.09Å; E968-V972 HydrophobicContact CG-CG2 4.14Å; E968-V972 VanDerWaalsContact O-CB 3.3Å; E968-V972 WeakPolarHBondContact O-CB 3.41Å; E968-V972 WeakPolarHBondContact O-CG2 3.22Å; E968-V972 PolarHBondContact O-N 3.5Å; V972-R975 PolarHBondContact O-N 2.81Å; V972-E976 PolarHBondContact O-N 3.41Å |
| 973 | L | 94.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.2 | -37.4 | -178.3 | -174.5 | 61 | 0 | 0 | 0 | 112.5 | L932 I935 F969 E976 D977 A993 A997 | L932-L973 HydrophobicContact CD1-CD1 4.25Å; I935-L973 HydrophobicContact CD1-CD1 4.31Å; I935-L973 HydrophobicContact CD1-CD2 4.24Å; I935-L973 HydrophobicContact CG2-CD1 4.02Å; F969-L973 HydrophobicContact CE1-CD2 4.44Å; F969-L973 HydrophobicContact CE2-CD2 4.16Å; F969-L973 HydrophobicContact CZ-CD2 3.83Å; F969-L973 WeakPolarHBondContact O-CB 3.42Å; F969-L973 PolarHBondContact O-N 3.43Å; L973-E976 PolarHBondContact O-N 2.86Å; L973-D977 PolarHBondContact O-N 2.94Å; L973-A993 HydrophobicContact CD2-CB 4.49Å; L973-A997 HydrophobicContact CD2-CB 4.05Å |
| 974 | L | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.6 | -30.1 | 175.8 | -74.2 | 167.1 | 0 | 0 | 0 | 113.2 | L970 D977 L978 I987 F988 M998 L1091 | L970-L974 VanDerWaalsContact O-CB 3.3Å; L970-L974 WeakPolarHBondContact O-CB 3.48Å; L970-L974 WeakPolarHBondContact O-CD1 3.34Å; L970-L974 VanDerWaalsContact O-CG 3.3Å; L970-L974 WeakPolarHBondContact O-CG 3.41Å; L970-L974 PolarHBondContact O-N 2.95Å; L974-D977 PolarHBondContact O-N 3.19Å; L974-L978 WeakPolarHBondContact O-CB 3.25Å; L974-L978 PolarHBondContact O-N 3.35Å; L974-I987 HydrophobicContact CD2-CG2 4.41Å; L974-F988 HydrophobicContact CD1-CE1 4.08Å; L974-F988 HydrophobicContact CD1-CZ 3.64Å; L974-F988 HydrophobicContact CD2-CE1 3.68Å; L974-F988 HydrophobicContact CD2-CZ 3.8Å; L974-F988 HydrophobicContact CG-CZ 4.4Å; L974-M998 HydrophobicContact CD1-CE 3.84Å; L974-L1091 HydrophobicContact CB-CD1 3.97Å; L974-L1091 HydrophobicContact CD1-CD1 3.77Å; L974-L1091 HydrophobicContact CD1-CD2 3.93Å |
| 975 | R | 91.3 | Very high | 87.1 | Confident | 101 Ų | 101 | 45.9 Ų | 45.9 | 38% | 0.381 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 170.3 | 179.8 | 177 | 57.2 | -161.2 | -2.8 | 111.7 | S971 V972 L978 S979 T1094 | S971-R975 WeakPolarHBondContact O-CB 3.28Å; S971-R975 PolarHBondContact O-N 2.99Å; V972-R975 PolarHBondContact O-N 2.81Å; R975-L978 PolarHBondContact O-N 2.9Å; R975-S979 PolarHBondContact O-N 2.93Å; R975-S979 PolarHBondContact O-OG 3.37Å; R975-T1094 HydrophobicContact CB-CG2 3.91Å; R975-T1094 HydrophobicContact CG-CG2 4.24Å |
| 976 | E | 89.7 | Confident | 86.1 | Confident | 37 Ų | 37 | 47.1 Ų | 47.1 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 172.5 | -179.6 | 71.9 | -172.8 | 0 | 0 | 111.8 | L932 R936 V972 L973 L978 S979 N980 | L932-E976 HydrophobicContact CD1-CB 4.26Å; L932-E976 HydrophobicContact CD1-CG 4.18Å; R936-E976 IonicContact CZ-OE1 3Å; R936-E976 VanDerWaalsContact CZ-OE1 3.26Å; R936-E976 IonicContact NE-OE1 3.96Å; R936-E976 PolarHBondContact NE-OE1 2.84Å; R936-E976 IonicContact NH2-OE1 3.03Å; R936-E976 PolarHBondContact NH2-OE1 2.75Å; R936-E976 IonicContact NH2-OE2 3.64Å; R936-E976 PolarHBondContact NH2-OE2 2.87Å; V972-E976 PolarHBondContact O-N 3.41Å; L973-E976 PolarHBondContact O-N 2.86Å; E976-L978 VanDerWaalsContact C-N 3.29Å; E976-L978 PolarHBondContact O-N 2.79Å; E976-S979 PolarHBondContact O-OG 3.48Å; E976-N980 WeakPolarHBondContact CG-ND2 3.28Å; E976-N980 WeakPolarHBondContact O-CB 3.5Å; E976-N980 PolarHBondContact O-N 3.04Å; E976-N980 VanDerWaalsContact O-N 3.14Å; E976-N980 PolarHBondContact O-ND2 3.47Å; E976-N980 PolarHBondContact OE1-ND2 2.81Å |
| 977 | D | 89.1 | Confident | 85.3 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -38.4 | 171.3 | -84.1 | -8.8 | 0 | 0 | 0 | 111.7 | L973 L974 N981 S992 G994 S995 | L973-D977 PolarHBondContact O-N 2.94Å; L974-D977 PolarHBondContact O-N 3.19Å; D977-N981 VanDerWaalsContact O-CB 3.32Å; D977-N981 WeakPolarHBondContact O-CB 3.37Å; D977-N981 PolarHBondContact O-N 3.45Å; D977-N981 PolarHBondContact O-ND2 2.87Å; D977-S992 VanDerWaalsContact CG-OG 3.29Å; D977-S992 WeakPolarHBondContact OD1-CB 3.48Å; D977-S992 WeakPolarHBondContact OD2-CB 3.5Å; D977-S992 PolarHBondContact OD2-OG 3.05Å; D977-G994 WeakPolarHBondContact OD2-CA 3.38Å; D977-G994 PolarHBondContact OD2-N 3.3Å; D977-S995 PolarHBondContact OD2-N 2.69Å |
| 978 | L | 87.2 | Confident | 84.8 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.7 | -47.7 | 179.8 | -179 | 30.3 | 0 | 0 | 0 | 112 | L974 R975 E976 N980 N981 G982 I987 I1095 H1099 | L974-L978 WeakPolarHBondContact O-CB 3.25Å; L974-L978 PolarHBondContact O-N 3.35Å; R975-L978 PolarHBondContact O-N 2.9Å; E976-L978 VanDerWaalsContact C-N 3.29Å; E976-L978 PolarHBondContact O-N 2.79Å; L978-N980 VanDerWaalsContact C-N 3.26Å; L978-N980 PolarHBondContact O-N 3.14Å; L978-N981 PolarHBondContact O-N 3.21Å; L978-G982 PolarHBondContact O-N 3.36Å; L978-I987 HydrophobicContact CB-CD1 3.6Å; L978-I987 HydrophobicContact CD1-CD1 3.73Å; L978-I987 HydrophobicContact CD2-CD1 3.63Å; L978-I987 HydrophobicContact CG-CD1 3.78Å; L978-I1095 HydrophobicContact CD2-CD1 3.74Å; L978-H1099 WeakPolarHBondContact CD2-CD2 3.32Å; L978-H1099 VanDerWaalsContact CD2-NE2 3.31Å; L978-H1099 WeakPolarHBondContact CD2-NE2 3.49Å; L978-H1099 WeakPolarHBondContact CG-NE2 3.32Å |
| 979 | S | 85.6 | Confident | 84.2 | Confident | 80 Ų | 80 | 46.8 Ų | 46.8 | 56% | 0.559 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -59 | -39 | 177.1 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | R975 E976 | R975-S979 PolarHBondContact O-N 2.93Å; R975-S979 PolarHBondContact O-OG 3.37Å; E976-S979 PolarHBondContact O-OG 3.48Å |
| 980 | N | 83.9 | Confident | 83.6 | Confident | 111 Ų | 111 | 48 Ų | 48 | 59% | 0.594 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -76.3 | -32.9 | 179.6 | -74.2 | -53.5 | 0 | 0 | 0 | 114.4 | E976 L978 | E976-N980 WeakPolarHBondContact CG-ND2 3.28Å; E976-N980 WeakPolarHBondContact O-CB 3.5Å; E976-N980 PolarHBondContact O-N 3.04Å; E976-N980 VanDerWaalsContact O-N 3.14Å; E976-N980 PolarHBondContact O-ND2 3.47Å; E976-N980 PolarHBondContact OE1-ND2 2.81Å; L978-N980 VanDerWaalsContact C-N 3.26Å; L978-N980 PolarHBondContact O-N 3.14Å |
| 981 | N | 76 | Confident | 83.2 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -86.7 | -18.2 | -176.3 | -77.1 | -65.4 | 0 | 0 | 0 | 114.2 | D977 L978 K983 | D977-N981 VanDerWaalsContact O-CB 3.32Å; D977-N981 WeakPolarHBondContact O-CB 3.37Å; D977-N981 PolarHBondContact O-N 3.45Å; D977-N981 PolarHBondContact O-ND2 2.87Å; L978-N981 PolarHBondContact O-N 3.21Å; N981-K983 PolarHBondContact O-N 3.35Å |
| 982 | G | 68.2 | Low | 83.1 | Confident | 67 Ų | 67 | 52.5 Ų | 52.5 | 69% | 0.691 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 62.3 | -1.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L978 | L978-G982 PolarHBondContact O-N 3.36Š|
| 983 | K | 69.9 | Low | 83.1 | Confident | 139 Ų | 139 | 51.7 Ų | 51.7 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | trans | -140.5 | 108.6 | -179.8 | -69.8 | -175.4 | -179.6 | -179.2 | 0 | 110.1 | N981 S985 M986 | N981-K983 PolarHBondContact O-N 3.35Å; K983-S985 PolarHBondContact O-N 3.19Å; K983-S985 VanDerWaalsContact O-N 3.14Å; K983-M986 HydrophobicContact CB-CG 4.02Å; K983-M986 WeakPolarHBondContact O-CB 3.35Å; K983-M986 PolarHBondContact O-N 3.44Å | ||
| 984 | E | 70.4 | Confident | 83.1 | Confident | 59 Ų | 59 | 51.6 Ų | 51.6 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -47 | -43.4 | 174.1 | -170.6 | -159.4 | 137.2 | 0 | 0 | 112.4 | M986 I987 S1103 H1106 | E984-M986 PolarHBondContact O-N 3.13Å; E984-I987 WeakPolarHBondContact O-CB 3.46Å; E984-I987 PolarHBondContact O-N 3.23Å; E984-S1103 VanDerWaalsContact CD-CB 3.42Å; E984-S1103 VanDerWaalsContact CD-OG 3.32Å; E984-S1103 WeakPolarHBondContact OE1-CA 3.37Å; E984-S1103 WeakPolarHBondContact OE2-CB 3.09Å; E984-S1103 PolarHBondContact OE2-OG 3.43Å; E984-H1106 IonicContact OE1-CD2 2.92Å |
| 985 | S | 68.4 | Low | 83.1 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 46% | 0.462 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -59.6 | -9.7 | 179 | 64.5 | 0 | 0 | 0 | 0 | 116.1 | K983 R989 | K983-S985 PolarHBondContact O-N 3.19Å; K983-S985 VanDerWaalsContact O-N 3.14Å; S985-R989 VanDerWaalsContact O-CD 3.32Å; S985-R989 WeakPolarHBondContact O-CD 3.16Å; S985-R989 PolarHBondContact O-NH1 3.07Å |
| 986 | M | 73.2 | Confident | 83.3 | Confident | 77 Ų | 77 | 47.7 Ų | 47.7 | 38% | 0.379 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -95.6 | -15.4 | 174.1 | -62 | -68 | 90.8 | 0 | 0 | 113.5 | K983 E984 R989 A990 | K983-M986 HydrophobicContact CB-CG 4.02Å; K983-M986 WeakPolarHBondContact O-CB 3.35Å; K983-M986 PolarHBondContact O-N 3.44Å; E984-M986 PolarHBondContact O-N 3.13Å; M986-R989 CarbonylContact O-C 3.56Å; M986-R989 WeakPolarHBondContact O-CA 3.37Å; M986-R989 WeakPolarHBondContact O-CB 3.42Å; M986-R989 PolarHBondContact O-N 3.15Å; M986-A990 PolarHBondContact O-N 3.48Å |
| 987 | I | 78.4 | Confident | 83.6 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 139.7 | 177.1 | -60 | 175.5 | 0 | 0 | 0 | 109.2 | L974 L978 E984 R989 L1107 | L974-I987 HydrophobicContact CD2-CG2 4.41Å; L978-I987 HydrophobicContact CB-CD1 3.6Å; L978-I987 HydrophobicContact CD1-CD1 3.73Å; L978-I987 HydrophobicContact CD2-CD1 3.63Å; L978-I987 HydrophobicContact CG-CD1 3.78Å; E984-I987 WeakPolarHBondContact O-CB 3.46Å; E984-I987 PolarHBondContact O-N 3.23Å; I987-R989 PolarHBondContact O-N 2.84Å; I987-L1107 HydrophobicContact CD1-CD1 3.68Å; I987-L1107 HydrophobicContact CG2-CD1 3.99Å; I987-L1107 HydrophobicContact CG2-CG 4.17Å |
| 988 | F | 83.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 7.9 | -169.7 | -55 | -59.2 | 0 | 0 | 0 | 115.2 | L974 S995 M998 L1107 C1111 R1115 | L974-F988 HydrophobicContact CD1-CE1 4.08Å; L974-F988 HydrophobicContact CD1-CZ 3.64Å; L974-F988 HydrophobicContact CD2-CE1 3.68Å; L974-F988 HydrophobicContact CD2-CZ 3.8Å; L974-F988 HydrophobicContact CG-CZ 4.4Å; F988-S995 PolarHBondContact N-OG 2.77Å; F988-M998 HydrophobicContact CE1-CB 3.76Å; F988-M998 HydrophobicContact CE1-CG 3.71Å; F988-M998 HydrophobicContact CZ-CB 4.45Å; F988-M998 HydrophobicContact CZ-CE 4.26Å; F988-M998 HydrophobicContact CZ-CG 4.05Å; F988-L1107 HydrophobicContact CD2-CG 4.39Å; F988-L1107 WeakPolarHBondContact CD2-O 3.36Å; F988-L1107 HydrophobicContact CE2-CD2 3.61Å; F988-L1107 HydrophobicContact CE2-CG 3.78Å; F988-L1107 VanDerWaalsContact CE2-O 3.25Å; F988-L1107 WeakPolarHBondContact CE2-O 3.22Å; F988-L1107 HydrophobicContact CZ-CD2 4.2Å; F988-C1111 HydrophobicContact CD2-CB 4.21Å; F988-C1111 HydrophobicContact CE1-CB 4.42Å; F988-C1111 HydrophobicContact CE2-CB 3.7Å; F988-C1111 HydrophobicContact CZ-CB 3.82Å; F988-R1115 HydrophobicContact CB-CG 4.02Å; F988-R1115 HydrophobicContact CD1-CG 4.43Å; F988-R1115 VanDerWaalsContact O-CZ 3.25Å; F988-R1115 PolarHBondContact O-NE 3.33Å; F988-R1115 PolarHBondContact O-NH2 3.46Å |
| 989 | R | 83 | Confident | 84.2 | Confident | 130 Ų | 130 | 46.5 Ų | 46.5 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -33.1 | 165.7 | -65.8 | -172 | -173.9 | 161.8 | -3.9 | 111.9 | S985 M986 I987 L1114 | S985-R989 VanDerWaalsContact O-CD 3.32Å; S985-R989 WeakPolarHBondContact O-CD 3.16Å; S985-R989 PolarHBondContact O-NH1 3.07Å; M986-R989 CarbonylContact O-C 3.56Å; M986-R989 WeakPolarHBondContact O-CA 3.37Å; M986-R989 WeakPolarHBondContact O-CB 3.42Å; M986-R989 PolarHBondContact O-N 3.15Å; I987-R989 PolarHBondContact O-N 2.84Å; R989-L1114 HydrophobicContact CG-CD2 3.77Å |
| 990 | A | 83.5 | Confident | 84.7 | Confident | 26 Ų | 26 | 43.6 Ų | 43.6 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -62.5 | 159.8 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | M986 S992 R1115 | M986-A990 PolarHBondContact O-N 3.48Å; A990-S992 VanDerWaalsContact C-N 3.28Å; A990-S992 PolarHBondContact O-N 3.1Å; A990-R1115 PolarHBondContact O-NH2 2.72Å |
| 991 | N | 88.6 | Confident | 85.3 | Confident | 97 Ų | 97 | 38.6 Ų | 38.6 | 52% | 0.519 | 21% | 0.211 | S | C | . | . | trans | -97.9 | 58.8 | 164.7 | -67.3 | -37.2 | 0 | 0 | 0 | 108.5 | A944 K947 | A944-N991 HydrophobicContact CB-CB 4.24Å; K947-N991 WeakPolarHBondContact CD-O 3.39Å; K947-N991 PolarHBondContact NZ-O 3.35Å | ||
| 992 | S | 92.5 | Very high | 86.2 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | trans | -81.6 | 164.5 | 176.7 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | E939 D977 A990 S995 K996 | E939-S992 WeakPolarHBondContact OE1-CA 3.42Å; D977-S992 VanDerWaalsContact CG-OG 3.29Å; D977-S992 WeakPolarHBondContact OD1-CB 3.48Å; D977-S992 WeakPolarHBondContact OD2-CB 3.5Å; D977-S992 PolarHBondContact OD2-OG 3.05Å; A990-S992 VanDerWaalsContact C-N 3.28Å; A990-S992 PolarHBondContact O-N 3.1Å; S992-S995 VanDerWaalsContact OG-CB 3.24Å; S992-S995 WeakPolarHBondContact OG-CB 3.42Å; S992-S995 PolarHBondContact OG-N 3.46Å; S992-S995 PolarHBondContact OG-OG 3.15Å; S992-K996 WeakPolarHBondContact O-CB 3.36Å; S992-K996 PolarHBondContact O-N 2.98Å; S992-K996 VanDerWaalsContact O-N 3.15Å | ||
| 993 | A | 94.1 | Very high | 87.3 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I935 E939 T951 L973 S995 K996 A997 | I935-A993 HydrophobicContact CG2-CB 3.53Å; E939-A993 VanDerWaalsContact CD-N 3.29Å; E939-A993 HydrophobicContact CG-CB 4.35Å; E939-A993 PolarHBondContact OE1-N 2.81Å; E939-A993 WeakPolarHBondContact OE2-CB 3.18Å; E939-A993 PolarHBondContact OE2-N 2.96Å; T951-A993 HydrophobicContact CG2-CB 4.14Å; T951-A993 WeakPolarHBondContact CG2-O 3.15Å; L973-A993 HydrophobicContact CD2-CB 4.49Å; A993-S995 PolarHBondContact O-N 2.95Å; A993-K996 PolarHBondContact O-N 3.25Å; A993-A997 WeakPolarHBondContact O-CB 3.33Å; A993-A997 PolarHBondContact O-N 2.73Å |
| 994 | G | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D977 K996 A997 M998 | D977-G994 WeakPolarHBondContact OD2-CA 3.38Å; D977-G994 PolarHBondContact OD2-N 3.3Å; G994-K996 PolarHBondContact O-N 3.31Å; G994-A997 PolarHBondContact O-N 2.92Å; G994-M998 WeakPolarHBondContact O-CB 3.14Å; G994-M998 PolarHBondContact O-N 3.02Å |
| 995 | S | 93.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.3 | -36 | 175 | -63.7 | 0 | 0 | 0 | 0 | 112.5 | D977 F988 S992 A993 E999 | D977-S995 PolarHBondContact OD2-N 2.69Å; F988-S995 PolarHBondContact N-OG 2.77Å; S992-S995 VanDerWaalsContact OG-CB 3.24Å; S992-S995 WeakPolarHBondContact OG-CB 3.42Å; S992-S995 PolarHBondContact OG-N 3.46Å; S992-S995 PolarHBondContact OG-OG 3.15Å; A993-S995 PolarHBondContact O-N 2.95Å; S995-E999 PolarHBondContact O-N 3.08Å |
| 996 | K | 94.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 25.2 Ų | 25.2 | 8% | 0.078 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -85.2 | -35.6 | -177.4 | -164.7 | 66.6 | -129.9 | -161.3 | 0 | 112.8 | E948 S992 A993 G994 E999 C1000 | E948-K996 VanDerWaalsContact CA-CG 3.48Å; E948-K996 HydrophobicContact CB-CD 3.8Å; E948-K996 HydrophobicContact CB-CG 3.67Å; E948-K996 HydrophobicContact CG-CD 4.27Å; E948-K996 HydrophobicContact CG-CG 4.41Å; E948-K996 VanDerWaalsContact OE1-CE 3.32Å; E948-K996 WeakPolarHBondContact OE1-CE 3.33Å; E948-K996 IonicContact OE1-NZ 2.78Å; E948-K996 PolarHBondContact OE1-NZ 2.91Å; E948-K996 WeakPolarHBondContact OE2-CE 3.48Å; E948-K996 IonicContact OE2-NZ 2.8Å; E948-K996 PolarHBondContact OE2-NZ 3.34Å; S992-K996 WeakPolarHBondContact O-CB 3.36Å; S992-K996 PolarHBondContact O-N 2.98Å; S992-K996 VanDerWaalsContact O-N 3.15Å; A993-K996 PolarHBondContact O-N 3.25Å; G994-K996 PolarHBondContact O-N 3.31Å; K996-E999 IonicContact NZ-OE1 2.69Å; K996-E999 PolarHBondContact NZ-OE1 2.83Å; K996-E999 IonicContact NZ-OE2 3.73Å; K996-E999 PolarHBondContact NZ-OE2 3.14Å; K996-E999 PolarHBondContact O-N 3.38Å; K996-C1000 PolarHBondContact O-N 3.34Å; K996-C1000 PolarHBondContact O-SG 3.04Å |
| 997 | A | 96.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T951 V955 F969 L970 L973 A993 G994 E999 C1000 Y1001 | T951-A997 HydrophobicContact CG2-CB 4.09Å; V955-A997 HydrophobicContact CG2-CB 4.02Å; V955-A997 WeakPolarHBondContact CG2-O 3.32Å; F969-A997 HydrophobicContact CE1-CB 4.11Å; F969-A997 HydrophobicContact CZ-CB 4.45Å; L970-A997 HydrophobicContact CD2-CB 3.64Å; L973-A997 HydrophobicContact CD2-CB 4.05Å; A993-A997 WeakPolarHBondContact O-CB 3.33Å; A993-A997 PolarHBondContact O-N 2.73Å; G994-A997 PolarHBondContact O-N 2.92Å; A997-E999 VanDerWaalsContact C-N 3.33Å; A997-E999 PolarHBondContact O-N 2.83Å; A997-C1000 WeakPolarHBondContact O-CB 3.42Å; A997-C1000 PolarHBondContact O-N 3.37Å; A997-Y1001 PolarHBondContact O-N 3.14Å |
| 998 | M | 95.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 174.6 | -175.7 | 63.4 | 106.4 | 0 | 0 | 112.1 | L970 L974 F988 G994 C1000 Y1001 I1002 V1087 F1088 L1091 C1111 | L970-M998 HydrophobicContact CD1-SD 4.01Å; L974-M998 HydrophobicContact CD1-CE 3.84Å; F988-M998 HydrophobicContact CE1-CB 3.76Å; F988-M998 HydrophobicContact CE1-CG 3.71Å; F988-M998 HydrophobicContact CZ-CB 4.45Å; F988-M998 HydrophobicContact CZ-CE 4.26Å; F988-M998 HydrophobicContact CZ-CG 4.05Å; G994-M998 WeakPolarHBondContact O-CB 3.14Å; G994-M998 PolarHBondContact O-N 3.02Å; M998-C1000 PolarHBondContact O-N 2.82Å; M998-Y1001 PolarHBondContact O-N 3.44Å; M998-I1002 WeakPolarHBondContact O-CB 3.43Å; M998-I1002 VanDerWaalsContact O-CG2 3.32Å; M998-I1002 WeakPolarHBondContact O-CG2 3.45Å; M998-I1002 PolarHBondContact O-N 2.92Å; M998-V1087 HydrophobicContact CE-CG1 3.59Å; M998-V1087 HydrophobicContact SD-CG1 4.01Å; M998-F1088 HydrophobicContact CE-CE1 4.35Å; M998-L1091 HydrophobicContact CE-CD2 3.51Å; M998-C1111 WeakPolarHBondContact CG-SG 3.27Å; M998-C1111 VanDerWaalsContact SD-SG 3.66Å |
| 999 | E | 94.1 | Very high | 92.6 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.6 | -38 | 176.8 | -161.7 | -163.2 | 126.7 | 0 | 0 | 112.6 | S995 K996 A997 K1003 R1115 | S995-E999 PolarHBondContact O-N 3.08Å; K996-E999 IonicContact NZ-OE1 2.69Å; K996-E999 PolarHBondContact NZ-OE1 2.83Å; K996-E999 IonicContact NZ-OE2 3.73Å; K996-E999 PolarHBondContact NZ-OE2 3.14Å; K996-E999 PolarHBondContact O-N 3.38Å; A997-E999 VanDerWaalsContact C-N 3.33Å; A997-E999 PolarHBondContact O-N 2.83Å; E999-K1003 WeakPolarHBondContact O-CB 3.49Å; E999-K1003 WeakPolarHBondContact O-CD 3.33Å; E999-K1003 VanDerWaalsContact O-CG 3.28Å; E999-K1003 WeakPolarHBondContact O-CG 3.39Å; E999-K1003 PolarHBondContact O-N 3.34Å; E999-K1003 IonicContact OE1-NZ 3.61Å; E999-K1003 PolarHBondContact OE1-NZ 2.98Å; E999-R1115 IonicContact OE2-NH1 2.85Å; E999-R1115 PolarHBondContact OE2-NH1 3.45Å |
| 1000 | C | 94.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 22.1 Ų | 22.1 | 12% | 0.122 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 172.7 | -68.7 | 0 | 0 | 0 | 0 | 111.1 | V955 K996 A997 M998 K1003 L1004 | V955-C1000 HydrophobicContact CG2-CB 4.38Å; K996-C1000 PolarHBondContact O-N 3.34Å; K996-C1000 PolarHBondContact O-SG 3.04Å; A997-C1000 WeakPolarHBondContact O-CB 3.42Å; A997-C1000 PolarHBondContact O-N 3.37Å; M998-C1000 PolarHBondContact O-N 2.82Å; C1000-K1003 PolarHBondContact O-N 2.97Å; C1000-L1004 PolarHBondContact O-N 2.85Å |
| 1001 | Y | 96.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 2% | 0.024 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.9 | -48.8 | -177.5 | -173.4 | -114.8 | 0 | 0 | 0 | 113.2 | V955 E959 V966 L970 A997 M998 K1003 L1004 V1005 E1083 L1084 V1087 | V955-Y1001 HydrophobicContact CG1-CD2 3.66Å; V955-Y1001 HydrophobicContact CG1-CG 4.21Å; E959-Y1001 VanDerWaalsContact OE2-CE2 3.25Å; E959-Y1001 WeakPolarHBondContact OE2-CE2 3.38Å; E959-Y1001 PolarHBondContact OE2-OH 3.36Å; V966-Y1001 HydrophobicContact CB-CE2 4.33Å; V966-Y1001 HydrophobicContact CG1-CD1 4.06Å; V966-Y1001 HydrophobicContact CG1-CD2 3.79Å; V966-Y1001 HydrophobicContact CG1-CE1 3.89Å; V966-Y1001 HydrophobicContact CG1-CE2 3.61Å; V966-Y1001 HydrophobicContact CG1-CG 3.97Å; V966-Y1001 HydrophobicContact CG2-CE2 4.39Å; L970-Y1001 HydrophobicContact CD1-CD1 3.72Å; L970-Y1001 HydrophobicContact CD1-CE1 4.44Å; L970-Y1001 HydrophobicContact CD1-CG 3.94Å; A997-Y1001 PolarHBondContact O-N 3.14Å; M998-Y1001 PolarHBondContact O-N 3.44Å; Y1001-K1003 PolarHBondContact O-N 3.03Å; Y1001-K1003 VanDerWaalsContact O-N 3.16Å; Y1001-L1004 HydrophobicContact CD2-CD2 4.28Å; Y1001-L1004 WeakPolarHBondContact O-CA 3.48Å; Y1001-L1004 WeakPolarHBondContact O-CB 3.13Å; Y1001-L1004 PolarHBondContact O-N 2.86Å; Y1001-V1005 HydrophobicContact CD1-CG2 4.33Å; Y1001-V1005 HydrophobicContact CD2-CG1 4.35Å; Y1001-V1005 HydrophobicContact CE1-CG2 4Å; Y1001-V1005 HydrophobicContact CE2-CG1 3.72Å; Y1001-V1005 PolarHBondContact O-N 3.01Å; Y1001-V1005 VanDerWaalsContact O-N 3.07Å; Y1001-E1083 VanDerWaalsContact OH-CB 3.32Å; Y1001-E1083 WeakPolarHBondContact OH-CB 3.35Å; Y1001-L1084 HydrophobicContact CD1-CD2 3.99Å; Y1001-L1084 HydrophobicContact CE1-CD2 3.91Å; Y1001-V1087 HydrophobicContact CD1-CG2 4.08Å; Y1001-V1087 HydrophobicContact CE1-CB 4.41Å; Y1001-V1087 HydrophobicContact CE1-CG2 3.49Å; Y1001-V1087 VanDerWaalsContact CE1-CG2 3.49Å |
| 1002 | I | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.7 | -27.8 | -178.7 | -161.7 | 165.1 | 0 | 0 | 0 | 112.5 | M998 G1006 L1084 F1088 L1112 F1116 | M998-I1002 WeakPolarHBondContact O-CB 3.43Å; M998-I1002 VanDerWaalsContact O-CG2 3.32Å; M998-I1002 WeakPolarHBondContact O-CG2 3.45Å; M998-I1002 PolarHBondContact O-N 2.92Å; I1002-G1006 WeakPolarHBondContact O-CA 3.48Å; I1002-G1006 PolarHBondContact O-N 2.56Å; I1002-L1084 HydrophobicContact CB-CD2 4.35Å; I1002-L1084 HydrophobicContact CG1-CD1 3.97Å; I1002-L1084 HydrophobicContact CG1-CD2 4.02Å; I1002-F1088 HydrophobicContact CD1-CZ 4.14Å; I1002-L1112 HydrophobicContact CD1-CD1 4.29Å; I1002-F1116 HydrophobicContact CD1-CB 3.81Å; I1002-F1116 HydrophobicContact CD1-CD1 3.86Å; I1002-F1116 HydrophobicContact CD1-CG 3.87Å; I1002-F1116 HydrophobicContact CG1-CB 4.27Å; I1002-F1116 HydrophobicContact CG1-CD1 3.86Å; I1002-F1116 HydrophobicContact CG1-CD2 4.14Å; I1002-F1116 HydrophobicContact CG1-CE1 4.15Å; I1002-F1116 HydrophobicContact CG1-CE2 4.43Å; I1002-F1116 HydrophobicContact CG1-CG 3.85Å; I1002-F1116 HydrophobicContact CG1-CZ 4.43Å; I1002-F1116 HydrophobicContact CG2-CB 4.19Å; I1002-F1116 HydrophobicContact CG2-CD2 3.89Å; I1002-F1116 HydrophobicContact CG2-CG 4.14Å; I1002-F1116 WeakPolarHBondContact O-CE2 3.32Å |
| 1003 | K | 92.7 | Very high | 94.1 | Very high | 63 Ų | 63 | 23.2 Ų | 23.2 | 27% | 0.274 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -73.4 | -41.2 | 170.4 | -73.2 | 172.6 | 175.4 | 172.8 | 0 | 112.5 | E999 C1000 Y1001 T1007 F1116 F1127 | E999-K1003 WeakPolarHBondContact O-CB 3.49Å; E999-K1003 WeakPolarHBondContact O-CD 3.33Å; E999-K1003 VanDerWaalsContact O-CG 3.28Å; E999-K1003 WeakPolarHBondContact O-CG 3.39Å; E999-K1003 PolarHBondContact O-N 3.34Å; E999-K1003 IonicContact OE1-NZ 3.61Å; E999-K1003 PolarHBondContact OE1-NZ 2.98Å; C1000-K1003 PolarHBondContact O-N 2.97Å; Y1001-K1003 PolarHBondContact O-N 3.03Å; Y1001-K1003 VanDerWaalsContact O-N 3.16Å; K1003-T1007 PolarHBondContact O-OG1 3.3Å; K1003-F1116 HydrophobicContact CG-CD2 4.41Å; K1003-F1116 HydrophobicContact CG-CE2 4.26Å; K1003-F1127 HydrophobicContact CG-CE1 4.5Å |
| 1004 | L | 92.4 | Very high | 94.2 | Very high | 49 Ų | 49 | 23.2 Ų | 23.2 | 26% | 0.257 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -58.1 | -50.4 | 178.3 | 176.5 | 66.3 | 0 | 0 | 0 | 111.9 | V955 E959 C1000 Y1001 C1203 I1207 | V955-L1004 HydrophobicContact CG1-CD2 4.34Å; E959-L1004 HydrophobicContact CG-CD2 4.41Å; C1000-L1004 PolarHBondContact O-N 2.85Å; Y1001-L1004 HydrophobicContact CD2-CD2 4.28Å; Y1001-L1004 WeakPolarHBondContact O-CA 3.48Å; Y1001-L1004 WeakPolarHBondContact O-CB 3.13Å; Y1001-L1004 PolarHBondContact O-N 2.86Å; L1004-C1203 HydrophobicContact CD1-CB 4.23Å; L1004-C1203 HydrophobicContact CG-CB 4.04Å; L1004-I1207 HydrophobicContact CD2-CD1 4.27Å |
| 1005 | V | 92.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -96.2 | -26.5 | -174.6 | -57.9 | 0 | 0 | 0 | 0 | 114.2 | Y1001 L1084 C1203 | Y1001-V1005 HydrophobicContact CD1-CG2 4.33Å; Y1001-V1005 HydrophobicContact CD2-CG1 4.35Å; Y1001-V1005 HydrophobicContact CE1-CG2 4Å; Y1001-V1005 HydrophobicContact CE2-CG1 3.72Å; Y1001-V1005 PolarHBondContact O-N 3.01Å; Y1001-V1005 VanDerWaalsContact O-N 3.07Å; V1005-L1084 HydrophobicContact CG2-CD1 4.04Å; V1005-L1084 HydrophobicContact CG2-CD2 3.39Å; V1005-L1084 HydrophobicContact CG2-CG 3.45Å; V1005-L1084 VanDerWaalsContact CG2-CG 3.45Å; V1005-C1203 HydrophobicContact CG1-CB 4.06Å |
| 1006 | G | 92.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -92.3 | -7.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | I1002 D1008 Y1009 L1010 F1116 | I1002-G1006 WeakPolarHBondContact O-CA 3.48Å; I1002-G1006 PolarHBondContact O-N 2.56Å; G1006-D1008 VanDerWaalsContact C-N 3.35Å; G1006-D1008 PolarHBondContact O-N 3.18Å; G1006-Y1009 WeakPolarHBondContact O-CB 3.37Å; G1006-Y1009 PolarHBondContact O-N 3.47Å; G1006-L1010 WeakPolarHBondContact O-CB 3.14Å; G1006-L1010 PolarHBondContact O-N 2.93Å; G1006-F1116 WeakPolarHBondContact O-CZ 3.25Å |
| 1007 | T | 91.1 | Very high | 94.1 | Very high | 33 Ų | 33 | 26 Ų | 26 | 20% | 0.202 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.5 | -40.1 | -171.2 | -72.6 | 0 | 0 | 0 | 0 | 113.3 | K1003 L1010 R1011 | K1003-T1007 PolarHBondContact O-OG1 3.3Å; T1007-L1010 WeakPolarHBondContact O-CB 3.42Å; T1007-L1010 PolarHBondContact O-N 3.43Å; T1007-R1011 PolarHBondContact O-N 3Å |
| 1008 | D | 91.3 | Very high | 93.9 | Very high | 104 Ų | 104 | 26 Ų | 26 | 56% | 0.556 | 13% | 0.133 | S | C | * | . | H | α-helix | trans | -73.2 | -37.3 | 179.3 | -64 | -52 | 0 | 0 | 0 | 112.6 | G1006 L1010 R1011 Y1012 | G1006-D1008 VanDerWaalsContact C-N 3.35Å; G1006-D1008 PolarHBondContact O-N 3.18Å; D1008-L1010 VanDerWaalsContact C-N 3.35Å; D1008-R1011 PolarHBondContact O-N 3.33Å; D1008-Y1012 WeakPolarHBondContact O-CB 3.29Å; D1008-Y1012 PolarHBondContact O-N 3.31Å |
| 1009 | Y | 94.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 169.9 | 166.7 | -99.3 | 0 | 0 | 0 | 111.3 | G1006 R1011 Y1012 V1013 S1076 K1079 L1080 | G1006-Y1009 WeakPolarHBondContact O-CB 3.37Å; G1006-Y1009 PolarHBondContact O-N 3.47Å; Y1009-R1011 PolarHBondContact O-N 3.48Å; Y1009-Y1012 WeakPolarHBondContact O-CB 3.08Å; Y1009-Y1012 PolarHBondContact O-N 3.04Å; Y1009-V1013 HydrophobicContact CD2-CG2 4.05Å; Y1009-V1013 HydrophobicContact CE1-CG2 4.24Å; Y1009-V1013 HydrophobicContact CE2-CG2 3.64Å; Y1009-V1013 WeakPolarHBondContact O-CG2 3.26Å; Y1009-V1013 PolarHBondContact O-N 3.43Å; Y1009-S1076 WeakPolarHBondContact CE2-OG 3.03Å; Y1009-S1076 PolarHBondContact OH-OG 3.04Å; Y1009-K1079 HydrophobicContact CD2-CB 4.46Å; Y1009-K1079 VanDerWaalsContact CD2-O 3.32Å; Y1009-K1079 WeakPolarHBondContact CD2-O 3.46Å; Y1009-L1080 HydrophobicContact CD1-CD1 4Å; Y1009-L1080 HydrophobicContact CE1-CD1 3.68Å; Y1009-L1080 HydrophobicContact CE2-CB 4.22Å; Y1009-L1080 HydrophobicContact CE2-CD1 4.27Å; Y1009-L1080 HydrophobicContact CG-CD1 4.42Å |
| 1010 | L | 95.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 177.4 | -171.8 | 73.4 | 0 | 0 | 0 | 111.9 | G1006 T1007 D1008 V1013 L1014 F1116 I1117 A1120 F1127 L1129 | G1006-L1010 WeakPolarHBondContact O-CB 3.14Å; G1006-L1010 PolarHBondContact O-N 2.93Å; T1007-L1010 WeakPolarHBondContact O-CB 3.42Å; T1007-L1010 PolarHBondContact O-N 3.43Å; D1008-L1010 VanDerWaalsContact C-N 3.35Å; L1010-V1013 PolarHBondContact O-N 3.26Å; L1010-L1014 HydrophobicContact CD1-CD1 3.57Å; L1010-L1014 HydrophobicContact CD1-CG 4.32Å; L1010-L1014 HydrophobicContact CG-CD1 4.24Å; L1010-L1014 WeakPolarHBondContact O-CB 3.35Å; L1010-L1014 PolarHBondContact O-N 3.32Å; L1010-F1116 HydrophobicContact CB-CE1 3.98Å; L1010-F1116 HydrophobicContact CB-CZ 3.71Å; L1010-F1116 HydrophobicContact CD1-CD1 4.2Å; L1010-F1116 HydrophobicContact CD1-CE1 3.88Å; L1010-F1116 HydrophobicContact CD1-CZ 4.1Å; L1010-F1116 HydrophobicContact CD2-CE1 4.45Å; L1010-F1116 HydrophobicContact CD2-CE2 3.89Å; L1010-F1116 HydrophobicContact CD2-CZ 3.82Å; L1010-F1116 HydrophobicContact CG-CE1 4.33Å; L1010-F1116 HydrophobicContact CG-CZ 4.11Å; L1010-I1117 HydrophobicContact CD1-CG1 4.42Å; L1010-A1120 HydrophobicContact CD1-CB 3.9Å; L1010-A1120 HydrophobicContact CD2-CB 3.73Å; L1010-A1120 HydrophobicContact CG-CB 4.22Å; L1010-F1127 HydrophobicContact CD2-CB 3.87Å; L1010-F1127 HydrophobicContact CD2-CD1 3.66Å; L1010-F1127 HydrophobicContact CD2-CG 4.13Å; L1010-L1129 HydrophobicContact CD2-CD1 4.46Å; L1010-L1129 HydrophobicContact CG-CD1 4.38Å |
| 1011 | R | 94.2 | Very high | 93.5 | Very high | 49 Ų | 49 | 31.8 Ų | 31.8 | 19% | 0.185 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -44 | 173 | -82.4 | 178.4 | 162.1 | -170.1 | -7.1 | 112 | S621 S623 T1007 D1008 Y1009 G1015 G1128 L1129 | S621-R1011 PolarHBondContact O-NH1 3.47Å; S623-R1011 PolarHBondContact OG-NH2 3.4Å; T1007-R1011 PolarHBondContact O-N 3Å; D1008-R1011 PolarHBondContact O-N 3.33Å; Y1009-R1011 PolarHBondContact O-N 3.48Å; R1011-G1015 VanDerWaalsContact O-CA 3.26Å; R1011-G1015 WeakPolarHBondContact O-CA 3.37Å; R1011-G1015 PolarHBondContact O-N 3.24Å; R1011-G1128 PolarHBondContact NE-O 3.1Å; R1011-G1128 VanDerWaalsContact NE-O 3.12Å; R1011-G1128 PolarHBondContact NH2-O 2.92Å; R1011-L1129 HydrophobicContact CB-CD2 4.4Å; R1011-L1129 HydrophobicContact CG-CD2 3.81Å |
| 1012 | Y | 94 | Very high | 93.1 | Very high | 98 Ų | 98 | 33.9 Ų | 33.9 | 38% | 0.384 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62 | -43.3 | 176.8 | 168.1 | -94.7 | 0 | 0 | 0 | 112.8 | D1008 Y1009 R1072 K1079 | D1008-Y1012 WeakPolarHBondContact O-CB 3.29Å; D1008-Y1012 PolarHBondContact O-N 3.31Å; Y1009-Y1012 WeakPolarHBondContact O-CB 3.08Å; Y1009-Y1012 PolarHBondContact O-N 3.04Å; Y1012-R1072 PolarHBondContact O-NH2 3.38Å; Y1012-K1079 HydrophobicContact CD1-CD 4.11Å; Y1012-K1079 HydrophobicContact CE1-CD 3.51Å; Y1012-K1079 HydrophobicContact CE2-CD 4.16Å; Y1012-K1079 VanDerWaalsContact CZ-NZ 3.26Å; Y1012-K1079 PolarHBondContact OH-NZ 3.36Å |
| 1013 | V | 95.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.6 | -54 | -178.2 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | Y1009 L1010 R1072 I1073 S1076 | Y1009-V1013 HydrophobicContact CD2-CG2 4.05Å; Y1009-V1013 HydrophobicContact CE1-CG2 4.24Å; Y1009-V1013 HydrophobicContact CE2-CG2 3.64Å; Y1009-V1013 WeakPolarHBondContact O-CG2 3.26Å; Y1009-V1013 PolarHBondContact O-N 3.43Å; L1010-V1013 PolarHBondContact O-N 3.26Å; V1013-R1072 HydrophobicContact CG1-CB 4.26Å; V1013-R1072 PolarHBondContact O-NE 3.13Å; V1013-I1073 HydrophobicContact CG1-CG1 3.67Å; V1013-S1076 VanDerWaalsContact CG2-OG 3.28Å; V1013-S1076 WeakPolarHBondContact CG2-OG 3.41Å |
| 1014 | L | 96.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -96 | -30.9 | -168.8 | -61.2 | -179.3 | 0 | 0 | 0 | 114.4 | L1010 V1017 I1018 I1069 I1117 A1120 I1121 L1129 | L1010-L1014 HydrophobicContact CD1-CD1 3.57Å; L1010-L1014 HydrophobicContact CD1-CG 4.32Å; L1010-L1014 HydrophobicContact CG-CD1 4.24Å; L1010-L1014 WeakPolarHBondContact O-CB 3.35Å; L1010-L1014 PolarHBondContact O-N 3.32Å; L1014-V1017 PolarHBondContact O-N 3.25Å; L1014-I1018 HydrophobicContact CB-CG1 4.23Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.5Å; L1014-I1018 PolarHBondContact O-N 3.01Å; L1014-I1069 HydrophobicContact CD2-CG2 3.95Å; L1014-I1117 HydrophobicContact CD1-CG2 4.42Å; L1014-A1120 HydrophobicContact CD1-CB 4.12Å; L1014-I1121 HydrophobicContact CD1-CD1 4.49Å; L1014-I1121 HydrophobicContact CD1-CG1 3.77Å; L1014-I1121 HydrophobicContact CD2-CD1 4.15Å; L1014-I1121 HydrophobicContact CD2-CG1 4.05Å; L1014-L1129 HydrophobicContact CB-CD1 4.01Å; L1014-L1129 HydrophobicContact CD1-CD1 3.97Å |
| 1015 | G | 94.2 | Very high | 91.3 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -49.2 | -55.4 | -171 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1011 V1017 I1018 D1019 | R1011-G1015 VanDerWaalsContact O-CA 3.26Å; R1011-G1015 WeakPolarHBondContact O-CA 3.37Å; R1011-G1015 PolarHBondContact O-N 3.24Å; G1015-V1017 VanDerWaalsContact C-N 3.27Å; G1015-V1017 PolarHBondContact O-N 2.56Å; G1015-I1018 PolarHBondContact O-N 3.12Å; G1015-D1019 PolarHBondContact O-N 3.29Å |
| 1016 | P | 93.8 | Very high | 91 | Very high | 61 Ų | 61 | 42.4 Ų | 42.4 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.9 | -33.4 | 178.9 | -25.5 | 35 | 0 | 0 | 0 | 114.1 | Q1020 | P1016-Q1020 VanDerWaalsContact O-CG 3.22Å; P1016-Q1020 WeakPolarHBondContact O-CG 3.44Å; P1016-Q1020 PolarHBondContact O-N 2.74Å |
| 1017 | V | 92.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -77.5 | -41 | 179.8 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | L1014 G1015 Q1020 L1021 M1068 I1069 | L1014-V1017 PolarHBondContact O-N 3.25Å; G1015-V1017 VanDerWaalsContact C-N 3.27Å; G1015-V1017 PolarHBondContact O-N 2.56Å; V1017-Q1020 PolarHBondContact O-N 3.07Å; V1017-L1021 HydrophobicContact CG1-CD1 3.95Å; V1017-L1021 HydrophobicContact CG1-CG 4.35Å; V1017-L1021 WeakPolarHBondContact O-CB 3.45Å; V1017-L1021 WeakPolarHBondContact O-CG 3.39Å; V1017-L1021 PolarHBondContact O-N 3.24Å; V1017-M1068 HydrophobicContact CB-CE 4.36Å; V1017-M1068 HydrophobicContact CG1-CE 3.6Å; V1017-M1068 HydrophobicContact CG2-CE 3.97Å; V1017-I1069 HydrophobicContact CB-CG1 4.39Å; V1017-I1069 HydrophobicContact CG1-CD1 3.85Å; V1017-I1069 HydrophobicContact CG1-CG1 3.67Å |
| 1018 | I | 93.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -46.8 | 175.7 | -63.8 | -64.2 | 0 | 0 | 0 | 110 | L1014 G1015 Q1020 L1021 L1022 P1124 L1129 L1143 | L1014-I1018 HydrophobicContact CB-CG1 4.23Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.5Å; L1014-I1018 PolarHBondContact O-N 3.01Å; G1015-I1018 PolarHBondContact O-N 3.12Å; I1018-Q1020 VanDerWaalsContact C-N 3.28Å; I1018-Q1020 PolarHBondContact O-N 3.1Å; I1018-L1021 PolarHBondContact O-N 3.03Å; I1018-L1021 VanDerWaalsContact O-N 3.13Å; I1018-L1022 HydrophobicContact CG2-CD1 4.09Å; I1018-L1022 HydrophobicContact CG2-CG 4.3Å; I1018-L1022 VanDerWaalsContact O-CG 3.26Å; I1018-L1022 WeakPolarHBondContact O-CG 3.42Å; I1018-L1022 PolarHBondContact O-N 3.33Å; I1018-P1124 HydrophobicContact CG2-CB 3.87Å; I1018-P1124 HydrophobicContact CG2-CG 4.33Å; I1018-L1129 HydrophobicContact CG1-CD1 4.41Å; I1018-L1129 HydrophobicContact CG2-CB 4.46Å; I1018-L1143 HydrophobicContact CD1-CD2 3.55Å |
| 1019 | D | 92.2 | Very high | 91 | Very high | 58 Ų | 58 | 38.2 Ų | 38.2 | 31% | 0.31 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.3 | -40.9 | 175.1 | -95.9 | -22.4 | 0 | 0 | 0 | 111.7 | K620 G1015 V1023 | K620-D1019 IonicContact NZ-OD1 3.32Å; K620-D1019 PolarHBondContact NZ-OD1 3.35Å; K620-D1019 IonicContact NZ-OD2 3.44Å; K620-D1019 PolarHBondContact NZ-OD2 2.74Å; G1015-D1019 PolarHBondContact O-N 3.29Å; D1019-V1023 WeakPolarHBondContact O-CG2 3.48Å; D1019-V1023 PolarHBondContact O-N 3.33Å |
| 1020 | Q | 91.3 | Very high | 90.9 | Very high | 96 Ų | 96 | 38.1 Ų | 38.1 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 173.9 | -73.7 | 171 | 27.7 | 0 | 0 | 112.6 | P1016 V1017 I1018 L1022 V1023 I1024 | P1016-Q1020 VanDerWaalsContact O-CG 3.22Å; P1016-Q1020 WeakPolarHBondContact O-CG 3.44Å; P1016-Q1020 PolarHBondContact O-N 2.74Å; V1017-Q1020 PolarHBondContact O-N 3.07Å; I1018-Q1020 VanDerWaalsContact C-N 3.28Å; I1018-Q1020 PolarHBondContact O-N 3.1Å; Q1020-L1022 VanDerWaalsContact C-N 3.28Å; Q1020-L1022 PolarHBondContact O-N 3.01Å; Q1020-V1023 PolarHBondContact O-N 2.99Å; Q1020-I1024 HydrophobicContact CB-CD1 4.12Å; Q1020-I1024 VanDerWaalsContact O-CG1 3.28Å; Q1020-I1024 WeakPolarHBondContact O-CG1 3.49Å; Q1020-I1024 PolarHBondContact O-N 3.03Å |
| 1021 | L | 90.9 | Very high | 90.7 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -30.8 | 179.8 | -75.1 | 172.4 | 0 | 0 | 0 | 113.3 | V1017 I1018 V1023 F1028 N1065 L1143 I1146 | V1017-L1021 HydrophobicContact CG1-CD1 3.95Å; V1017-L1021 HydrophobicContact CG1-CG 4.35Å; V1017-L1021 WeakPolarHBondContact O-CB 3.45Å; V1017-L1021 WeakPolarHBondContact O-CG 3.39Å; V1017-L1021 PolarHBondContact O-N 3.24Å; I1018-L1021 PolarHBondContact O-N 3.03Å; I1018-L1021 VanDerWaalsContact O-N 3.13Å; L1021-V1023 VanDerWaalsContact C-N 3.26Å; L1021-V1023 PolarHBondContact O-N 3.42Å; L1021-F1028 HydrophobicContact CD2-CE2 3.68Å; L1021-F1028 HydrophobicContact CD2-CZ 3.72Å; L1021-N1065 WeakPolarHBondContact CD2-OD1 3.46Å; L1021-L1143 HydrophobicContact CD1-CD2 4Å; L1021-I1146 HydrophobicContact CD1-CD1 3.58Å; L1021-I1146 HydrophobicContact CD2-CD1 4.31Å |
| 1022 | L | 87.5 | Confident | 90.3 | Very high | 50 Ų | 50 | 39.6 Ų | 39.6 | 26% | 0.262 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.6 | -25 | 173 | -67.9 | 173.9 | 0 | 0 | 0 | 112.6 | I1018 Q1020 A1130 P1134 I1139 | I1018-L1022 HydrophobicContact CG2-CD1 4.09Å; I1018-L1022 HydrophobicContact CG2-CG 4.3Å; I1018-L1022 VanDerWaalsContact O-CG 3.26Å; I1018-L1022 WeakPolarHBondContact O-CG 3.42Å; I1018-L1022 PolarHBondContact O-N 3.33Å; Q1020-L1022 VanDerWaalsContact C-N 3.28Å; Q1020-L1022 PolarHBondContact O-N 3.01Å; L1022-A1130 HydrophobicContact CD1-CB 3.98Å; L1022-P1134 HydrophobicContact CD2-CB 4.28Å; L1022-P1134 HydrophobicContact CD2-CG 3.73Å; L1022-I1139 HydrophobicContact CD2-CG2 4.03Å |
| 1023 | V | 86.2 | Confident | 89.8 | Confident | 126 Ų | 126 | 39.6 Ų | 39.6 | 76% | 0.764 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -95.9 | -42.7 | -178.4 | 175.4 | 0 | 0 | 0 | 0 | 112.7 | D1019 Q1020 L1021 G1025 | D1019-V1023 WeakPolarHBondContact O-CG2 3.48Å; D1019-V1023 PolarHBondContact O-N 3.33Å; Q1020-V1023 PolarHBondContact O-N 2.99Å; L1021-V1023 VanDerWaalsContact C-N 3.26Å; L1021-V1023 PolarHBondContact O-N 3.42Å; V1023-G1025 VanDerWaalsContact C-N 3.34Å; V1023-G1025 PolarHBondContact O-N 3.3Å |
| 1024 | I | 81.4 | Confident | 89.3 | Confident | 90 Ų | 90 | 46 Ų | 46 | 46% | 0.462 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -35.6 | -169.8 | -69.9 | 164.3 | 0 | 0 | 0 | 112.6 | Q1020 D1026 | Q1020-I1024 HydrophobicContact CB-CD1 4.12Å; Q1020-I1024 VanDerWaalsContact O-CG1 3.28Å; Q1020-I1024 WeakPolarHBondContact O-CG1 3.49Å; Q1020-I1024 PolarHBondContact O-N 3.03Å; I1024-D1026 HydrophobicContact CG2-CB 3.94Å; I1024-D1026 WeakPolarHBondContact CG2-OD2 3.31Å; I1024-D1026 PolarHBondContact O-N 2.74Å |
| 1025 | G | 76.3 | Confident | 88.5 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | trans | 66.7 | 7.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | V1023 R1138 | V1023-G1025 VanDerWaalsContact C-N 3.34Å; V1023-G1025 PolarHBondContact O-N 3.3Å; G1025-R1138 PolarHBondContact O-NH1 3.18Å | ||
| 1026 | D | 85.7 | Confident | 87.1 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | trans | -52.9 | 166.7 | 174.1 | -100.4 | -38.4 | 0 | 0 | 0 | 112.7 | I1024 F1028 R1057 R1138 N1142 | I1024-D1026 HydrophobicContact CG2-CB 3.94Å; I1024-D1026 WeakPolarHBondContact CG2-OD2 3.31Å; I1024-D1026 PolarHBondContact O-N 2.74Å; D1026-F1028 HydrophobicContact CB-CD1 4.36Å; D1026-F1028 HydrophobicContact CB-CE1 3.69Å; D1026-F1028 HydrophobicContact CB-CZ 4.37Å; D1026-R1057 IonicContact OD1-NH1 2.69Å; D1026-R1057 PolarHBondContact OD1-NH1 2.89Å; D1026-R1057 VanDerWaalsContact OD1-NH1 3.15Å; D1026-R1138 WeakPolarHBondContact O-CD 3.36Å; D1026-N1142 PolarHBondContact O-ND2 2.68Å | ||
| 1027 | D | 88.9 | Confident | 85.1 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | trans | -111.7 | 128 | 172.4 | -161.3 | -11.9 | 0 | 0 | 0 | 110.2 | E1029 N1058 R1138 | D1027-E1029 WeakPolarHBondContact OD1-CB 3.49Å; D1027-E1029 PolarHBondContact OD1-N 3.21Å; D1027-N1058 PolarHBondContact O-OD1 2.73Å; D1027-N1058 VanDerWaalsContact O-OD1 3.14Å; D1027-R1138 HydrophobicContact CB-CG 4.47Å | ||
| 1028 | F | 93.8 | Very high | 83 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | trans | -110 | 7.7 | 176.6 | -57.3 | -19.2 | 0 | 0 | 0 | 112.3 | L1021 D1026 I1030 A1061 L1062 N1065 N1142 L1145 I1146 | L1021-F1028 HydrophobicContact CD2-CE2 3.68Å; L1021-F1028 HydrophobicContact CD2-CZ 3.72Å; D1026-F1028 HydrophobicContact CB-CD1 4.36Å; D1026-F1028 HydrophobicContact CB-CE1 3.69Å; D1026-F1028 HydrophobicContact CB-CZ 4.37Å; F1028-I1030 PolarHBondContact O-N 3.33Å; F1028-A1061 HydrophobicContact CD1-CB 3.76Å; F1028-A1061 HydrophobicContact CE1-CB 3.69Å; F1028-L1062 HydrophobicContact CB-CB 4.09Å; F1028-L1062 HydrophobicContact CB-CD1 4.2Å; F1028-L1062 HydrophobicContact CD2-CD1 4.21Å; F1028-L1062 HydrophobicContact CG-CB 4.34Å; F1028-L1062 HydrophobicContact CG-CD1 4.45Å; F1028-N1065 HydrophobicContact CE2-CB 4.34Å; F1028-N1065 HydrophobicContact CZ-CB 4.44Å; F1028-N1065 VanDerWaalsContact CZ-ND2 3.29Å; F1028-N1065 WeakPolarHBondContact CZ-ND2 3.46Å; F1028-N1142 HydrophobicContact CB-CB 4.38Å; F1028-N1142 WeakPolarHBondContact CB-OD1 3.43Å; F1028-N1142 HydrophobicContact CD2-CB 3.43Å; F1028-N1142 VanDerWaalsContact CD2-CB 3.43Å; F1028-N1142 VanDerWaalsContact CD2-CG 3.49Å; F1028-N1142 HydrophobicContact CE2-CB 3.85Å; F1028-N1142 HydrophobicContact CG-CB 4.11Å; F1028-N1142 PolarHBondContact N-OD1 3.31Å; F1028-L1145 HydrophobicContact CB-CD1 4.34Å; F1028-L1145 WeakPolarHBondContact O-CD1 3.45Å; F1028-I1146 HydrophobicContact CD2-CD1 4.2Å; F1028-I1146 HydrophobicContact CD2-CG1 4.36Å; F1028-I1146 HydrophobicContact CE2-CD1 3.84Å; F1028-I1146 HydrophobicContact CE2-CG1 4.45Å | ||
| 1029 | E | 93.8 | Very high | 80.6 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | trans | -65 | 121.8 | -179.7 | -171.7 | 63.7 | -91.4 | 0 | 0 | 111.5 | D1027 D1031 R1034 L1035 N1058 R1141 | D1027-E1029 WeakPolarHBondContact OD1-CB 3.49Å; D1027-E1029 PolarHBondContact OD1-N 3.21Å; E1029-D1031 WeakPolarHBondContact OE1-CB 3.15Å; E1029-D1031 PolarHBondContact OE1-N 3.14Å; E1029-R1034 HydrophobicContact CG-CB 3.8Å; E1029-R1034 WeakPolarHBondContact OE2-CD 3.32Å; E1029-R1034 IonicContact OE2-NE 2.74Å; E1029-R1034 IonicContact OE2-NH1 3.3Å; E1029-L1035 HydrophobicContact CB-CD2 4.15Å; E1029-L1035 HydrophobicContact CG-CD2 4.38Å; E1029-L1035 HydrophobicContact CG-CG 4.39Å; E1029-N1058 WeakPolarHBondContact O-CB 3.43Å; E1029-N1058 PolarHBondContact O-ND2 3.33Å; E1029-R1141 IonicContact OE1-CZ 2.73Å; E1029-R1141 IonicContact OE1-NE 3.07Å; E1029-R1141 IonicContact OE1-NH2 2.74Å; E1029-R1141 PolarHBondContact OE1-NH2 2.74Å; E1029-R1141 IonicContact OE2-CZ 2.74Å; E1029-R1141 IonicContact OE2-NE 2.73Å; E1029-R1141 PolarHBondContact OE2-NE 3.03Å; E1029-R1141 IonicContact OE2-NH2 3.07Å; E1029-R1141 PolarHBondContact OE2-NH2 3.06Å; E1029-R1141 VanDerWaalsContact OE2-NH2 3.14Å | ||
| 1030 | I | 91.2 | Very high | 78.5 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 5% | 0.051 | 39% | 0.385 | C | S | . | . | trans | -115 | 2.4 | 178.5 | 68.1 | 175.8 | 0 | 0 | 0 | 113.1 | F1028 P1032 L1055 N1058 R1059 L1062 H1165 M1166 L1169 | F1028-I1030 PolarHBondContact O-N 3.33Å; I1030-P1032 VanDerWaalsContact O-CD 3.31Å; I1030-P1032 WeakPolarHBondContact O-CD 3.33Å; I1030-L1055 HydrophobicContact CB-CD2 4.46Å; I1030-L1055 WeakPolarHBondContact O-CD2 3.44Å; I1030-N1058 HydrophobicContact CG2-CB 4.22Å; I1030-R1059 HydrophobicContact CG2-CB 3.92Å; I1030-L1062 HydrophobicContact CD1-CD2 4.21Å; I1030-H1165 WeakPolarHBondContact CD1-O 3.44Å; I1030-M1166 HydrophobicContact CD1-CE 3.58Å; I1030-M1166 HydrophobicContact CD1-SD 4.02Å; I1030-M1166 HydrophobicContact CG1-CE 3.41Å; I1030-M1166 VanDerWaalsContact CG1-CE 3.41Å; I1030-M1166 HydrophobicContact CG1-SD 4.49Å; I1030-L1169 HydrophobicContact CD1-CD1 3.76Å; I1030-L1169 HydrophobicContact CD1-CD2 4.1Å; I1030-L1169 HydrophobicContact CD1-CG 4.04Å | ||
| 1031 | D | 90.5 | Very high | 76.7 | Confident | 24 Ų | 24 | 66.5 Ų | 66.5 | 13% | 0.128 | 40% | 0.403 | C | S | . | . | trans | -79.6 | 111.2 | 169.1 | 179.1 | -7.7 | 0 | 0 | 0 | 109.7 | E1029 S1033 R1034 | E1029-D1031 WeakPolarHBondContact OE1-CB 3.15Å; E1029-D1031 PolarHBondContact OE1-N 3.14Å; D1031-S1033 PolarHBondContact O-N 3.42Å; D1031-S1033 VanDerWaalsContact O-N 3.12Å; D1031-S1033 VanDerWaalsContact OD1-CB 3.31Å; D1031-S1033 WeakPolarHBondContact OD1-CB 3.34Å; D1031-S1033 PolarHBondContact OD1-N 2.98Å; D1031-S1033 PolarHBondContact OD1-OG 2.94Å; D1031-S1033 PolarHBondContact OD2-OG 3.48Å; D1031-R1034 HydrophobicContact CB-CB 4.39Å; D1031-R1034 HydrophobicContact CB-CG 4.08Å; D1031-R1034 PolarHBondContact O-N 3.4Å; D1031-R1034 VanDerWaalsContact O-N 3.07Å; D1031-R1034 WeakPolarHBondContact OD2-CD 3.45Å; D1031-R1034 WeakPolarHBondContact OD2-CG 3.3Å; D1031-R1034 IonicContact OD2-NE 3.4Å; D1031-R1034 PolarHBondContact OD2-NE 3.01Å | ||
| 1032 | P | 86.3 | Confident | 74.8 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 38% | 0.377 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.3 | -27.2 | -177.8 | -20.7 | 32.7 | 0 | 0 | 0 | 112.9 | I1030 R1034 L1051 L1055 | I1030-P1032 VanDerWaalsContact O-CD 3.31Å; I1030-P1032 WeakPolarHBondContact O-CD 3.33Å; P1032-R1034 PolarHBondContact O-N 3.44Å; P1032-L1051 HydrophobicContact CB-CD2 4.35Å; P1032-L1055 HydrophobicContact CB-CD1 4.18Å; P1032-L1055 HydrophobicContact CG-CD1 3.87Å; P1032-L1055 HydrophobicContact CG-CD2 4.36Å |
| 1033 | S | 84.4 | Confident | 73.1 | Confident | 97 Ų | 97 | 71.9 Ų | 71.9 | 68% | 0.678 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -70.8 | -14.7 | -179.3 | 76.3 | 0 | 0 | 0 | 0 | 113.6 | D1031 | D1031-S1033 PolarHBondContact O-N 3.42Å; D1031-S1033 VanDerWaalsContact O-N 3.12Å; D1031-S1033 VanDerWaalsContact OD1-CB 3.31Å; D1031-S1033 WeakPolarHBondContact OD1-CB 3.34Å; D1031-S1033 PolarHBondContact OD1-N 2.98Å; D1031-S1033 PolarHBondContact OD1-OG 2.94Å; D1031-S1033 PolarHBondContact OD2-OG 3.48Å |
| 1034 | R | 83.7 | Confident | 71.5 | Confident | 138 Ų | 138 | 69.3 Ų | 69.3 | 52% | 0.521 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -99.3 | -24.2 | -178.1 | -66.2 | 179.5 | -176.2 | -136.7 | -2.5 | 114 | E1029 D1031 P1032 | E1029-R1034 HydrophobicContact CG-CB 3.8Å; E1029-R1034 WeakPolarHBondContact OE2-CD 3.32Å; E1029-R1034 IonicContact OE2-NE 2.74Å; E1029-R1034 IonicContact OE2-NH1 3.3Å; D1031-R1034 HydrophobicContact CB-CB 4.39Å; D1031-R1034 HydrophobicContact CB-CG 4.08Å; D1031-R1034 PolarHBondContact O-N 3.4Å; D1031-R1034 VanDerWaalsContact O-N 3.07Å; D1031-R1034 WeakPolarHBondContact OD2-CD 3.45Å; D1031-R1034 WeakPolarHBondContact OD2-CG 3.3Å; D1031-R1034 IonicContact OD2-NE 3.4Å; D1031-R1034 PolarHBondContact OD2-NE 3.01Å; P1032-R1034 PolarHBondContact O-N 3.44Å |
| 1035 | L | 81.4 | Confident | 70.3 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 25% | 0.251 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -79.4 | -22.5 | 176.1 | -66.6 | 174.1 | 0 | 0 | 0 | 112.7 | E1029 A1037 L1051 I1054 L1055 | E1029-L1035 HydrophobicContact CB-CD2 4.15Å; E1029-L1035 HydrophobicContact CG-CD2 4.38Å; E1029-L1035 HydrophobicContact CG-CG 4.39Å; L1035-A1037 PolarHBondContact O-N 3.06Å; L1035-L1051 HydrophobicContact CB-CD1 3.73Å; L1035-L1051 HydrophobicContact CD1-CD1 3.67Å; L1035-L1051 HydrophobicContact CG-CD1 4.37Å; L1035-I1054 HydrophobicContact CD1-CG2 4.01Å; L1035-L1055 HydrophobicContact CD1-CD2 3.54Å; L1035-L1055 HydrophobicContact CD1-CG 3.97Å |
| 1036 | G | 63.9 | Low | 69.5 | Low | 48 Ų | 48 | 73.3 Ų | 73.3 | 50% | 0.495 | 46% | 0.46 | S | S | . | . | trans | -94.3 | 24.1 | -165.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | S1038 | G1036-S1038 PolarHBondContact O-N 2.86Å; G1036-S1038 VanDerWaalsContact O-N 3.15Å | ||
| 1037 | A | 51.7 | Low | 68.6 | Low | 91 Ų | 91 | 74 Ų | 74 | 75% | 0.752 | 46% | 0.463 | S | S | * | . | trans | -82.1 | 23.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116 | L1035 | L1035-A1037 PolarHBondContact O-N 3.06Š| ||
| 1038 | S | 48.6 | Very low | 68 | Low | 85 Ų | 85 | 81.7 Ų | 81.7 | 59% | 0.594 | 49% | 0.49 | S | S | * | . | trans | -106.6 | 106 | 172.8 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | G1036 D1040 | G1036-S1038 PolarHBondContact O-N 2.86Å; G1036-S1038 VanDerWaalsContact O-N 3.15Å; S1038-D1040 VanDerWaalsContact C-N 3.26Å; S1038-D1040 PolarHBondContact O-N 2.75Å | ||
| 1039 | N | 42.9 | Very low | 67.4 | Low | 155 Ų | 155 | 86.9 Ų | 86.9 | 83% | 0.829 | 52% | 0.517 | S | S | * | . | trans | -79.1 | 33.6 | -164.2 | -69.7 | -23.3 | 0 | 0 | 0 | 116.2 | S1041 | N1039-S1041 PolarHBondContact O-N 3.05Š| ||
| 1040 | D | 48.5 | Very low | 66.9 | Low | 121 Ų | 121 | 89.8 Ų | 89.8 | 65% | 0.647 | 54% | 0.536 | S | S | * | . | trans | -90.4 | 97.6 | -178.2 | -66.2 | -18.9 | 0 | 0 | 0 | 111.2 | S1038 S1042 | S1038-D1040 VanDerWaalsContact C-N 3.26Å; S1038-D1040 PolarHBondContact O-N 2.75Å; D1040-S1042 VanDerWaalsContact C-N 3.26Å; D1040-S1042 PolarHBondContact O-N 2.99Å | ||
| 1041 | S | 52.6 | Low | 66.7 | Low | 119 Ų | 119 | 91.6 Ų | 91.6 | 83% | 0.832 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -2 | -168.5 | 56.7 | 0 | 0 | 0 | 0 | 116.1 | N1039 | N1039-S1041 PolarHBondContact O-N 3.05Š|
| 1042 | S | 51.3 | Low | 66.5 | Low | 111 Ų | 111 | 93.5 Ų | 93.5 | 78% | 0.776 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -10.7 | -176.7 | 47 | 0 | 0 | 0 | 0 | 114.9 | D1040 | D1040-S1042 VanDerWaalsContact C-N 3.26Å; D1040-S1042 PolarHBondContact O-N 2.99Å |
| 1043 | T | 51.9 | Low | 66.7 | Low | 61 Ų | 61 | 95.7 Ų | 95.7 | 37% | 0.374 | 57% | 0.573 | S | S | . | * | trans | -110.9 | 23.2 | -171.7 | -35.8 | 0 | 0 | 0 | 0 | 113.6 | S1045 N1046 N1047 | T1043-S1045 PolarHBondContact O-N 3.04Å; T1043-N1046 HydrophobicContact CG2-CB 4.27Å; T1043-N1047 VanDerWaalsContact O-CB 3.26Å; T1043-N1047 WeakPolarHBondContact O-CB 3.17Å; T1043-N1047 PolarHBondContact O-N 2.52Å; T1043-N1047 PolarHBondContact O-OD1 3.41Å | ||
| 1044 | A | 52.5 | Low | 67 | Low | 72 Ų | 72 | 94.2 Ų | 94.2 | 60% | 0.595 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.4 | -37.6 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | R1048 | A1044-R1048 PolarHBondContact O-N 2.89Å; A1044-R1048 VanDerWaalsContact O-N 3.13Å |
| 1045 | S | 56.1 | Low | 67.3 | Low | 89 Ų | 89 | 89.2 Ų | 89.2 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75 | -48.5 | -178 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | T1043 N1047 R1048 N1049 | T1043-S1045 PolarHBondContact O-N 3.04Å; S1045-N1047 VanDerWaalsContact C-N 3.28Å; S1045-N1047 PolarHBondContact O-N 3.27Å; S1045-R1048 WeakPolarHBondContact O-CB 3.11Å; S1045-R1048 PolarHBondContact O-N 3.45Å; S1045-R1048 VanDerWaalsContact O-N 3.07Å; S1045-N1049 PolarHBondContact O-N 2.92Å |
| 1046 | N | 59.3 | Low | 67.8 | Low | 108 Ų | 108 | 91.2 Ų | 91.2 | 58% | 0.578 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.7 | -38.4 | 174.9 | -71.3 | -11.8 | 0 | 0 | 0 | 111.3 | T1043 R1048 T1050 | T1043-N1046 HydrophobicContact CG2-CB 4.27Å; N1046-R1048 VanDerWaalsContact C-N 3.32Å; N1046-R1048 PolarHBondContact O-N 3.27Å; N1046-T1050 VanDerWaalsContact O-CB 3.31Å; N1046-T1050 WeakPolarHBondContact O-CB 3.43Å; N1046-T1050 PolarHBondContact O-N 3.41Å; N1046-T1050 PolarHBondContact O-OG1 3.48Å |
| 1047 | N | 67.8 | Low | 69.2 | Low | 71 Ų | 71 | 94.4 Ų | 94.4 | 38% | 0.38 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -34.5 | 173.3 | -73.1 | -1 | 0 | 0 | 0 | 112.7 | T1043 S1045 L1051 | T1043-N1047 VanDerWaalsContact O-CB 3.26Å; T1043-N1047 WeakPolarHBondContact O-CB 3.17Å; T1043-N1047 PolarHBondContact O-N 2.52Å; T1043-N1047 PolarHBondContact O-OD1 3.41Å; S1045-N1047 VanDerWaalsContact C-N 3.28Å; S1045-N1047 PolarHBondContact O-N 3.27Å; N1047-L1051 WeakPolarHBondContact O-CB 3.3Å; N1047-L1051 PolarHBondContact O-N 3.11Å |
| 1048 | R | 76.4 | Confident | 71.3 | Confident | 195 Ų | 195 | 90 Ų | 90 | 74% | 0.736 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -48.1 | 178.2 | -169.1 | -179.2 | -177.4 | 97.2 | -1.2 | 112.1 | A1044 S1045 N1046 T1050 L1051 S1052 | A1044-R1048 PolarHBondContact O-N 2.89Å; A1044-R1048 VanDerWaalsContact O-N 3.13Å; S1045-R1048 WeakPolarHBondContact O-CB 3.11Å; S1045-R1048 PolarHBondContact O-N 3.45Å; S1045-R1048 VanDerWaalsContact O-N 3.07Å; N1046-R1048 VanDerWaalsContact C-N 3.32Å; N1046-R1048 PolarHBondContact O-N 3.27Å; R1048-T1050 VanDerWaalsContact C-N 3.35Å; R1048-L1051 PolarHBondContact O-N 2.92Å; R1048-S1052 PolarHBondContact O-N 3.29Å; R1048-S1052 PolarHBondContact O-OG 3.5Å |
| 1049 | N | 80.9 | Confident | 73.5 | Confident | 110 Ų | 110 | 88.7 Ų | 88.7 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 177.6 | -70.7 | -2.7 | 0 | 0 | 0 | 111 | S1045 L1051 S1052 V1053 | S1045-N1049 PolarHBondContact O-N 2.92Å; N1049-L1051 PolarHBondContact O-N 3.33Å; N1049-S1052 WeakPolarHBondContact CA-OG 3.23Å; N1049-S1052 PolarHBondContact O-N 3.21Å; N1049-S1052 PolarHBondContact O-OG 3.42Å; N1049-V1053 WeakPolarHBondContact O-CG2 3.49Å; N1049-V1053 PolarHBondContact O-N 2.82Å |
| 1050 | T | 83.7 | Confident | 75.9 | Confident | 75 Ų | 75 | 85.2 Ų | 85.2 | 46% | 0.46 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | N1046 R1048 V1053 I1054 | N1046-T1050 VanDerWaalsContact O-CB 3.31Å; N1046-T1050 WeakPolarHBondContact O-CB 3.43Å; N1046-T1050 PolarHBondContact O-N 3.41Å; N1046-T1050 PolarHBondContact O-OG1 3.48Å; R1048-T1050 VanDerWaalsContact C-N 3.35Å; T1050-V1053 PolarHBondContact O-N 3.24Å; T1050-I1054 HydrophobicContact CG2-CD1 3.91Å; T1050-I1054 VanDerWaalsContact O-CG1 3.3Å; T1050-I1054 WeakPolarHBondContact O-CG1 3.36Å; T1050-I1054 PolarHBondContact O-N 3.29Å |
| 1051 | L | 86.8 | Confident | 78.1 | Confident | 48 Ų | 48 | 80.1 Ų | 80.1 | 25% | 0.251 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.9 | 179.6 | 61.3 | 0 | 0 | 0 | 111.9 | P1032 L1035 N1047 R1048 N1049 V1053 I1054 L1055 | P1032-L1051 HydrophobicContact CB-CD2 4.35Å; L1035-L1051 HydrophobicContact CB-CD1 3.73Å; L1035-L1051 HydrophobicContact CD1-CD1 3.67Å; L1035-L1051 HydrophobicContact CG-CD1 4.37Å; N1047-L1051 WeakPolarHBondContact O-CB 3.3Å; N1047-L1051 PolarHBondContact O-N 3.11Å; R1048-L1051 PolarHBondContact O-N 2.92Å; N1049-L1051 PolarHBondContact O-N 3.33Å; L1051-V1053 PolarHBondContact O-N 2.84Å; L1051-I1054 PolarHBondContact O-N 2.98Å; L1051-L1055 HydrophobicContact CD1-CD1 4.15Å; L1051-L1055 HydrophobicContact CD1-CG 4.14Å; L1051-L1055 HydrophobicContact CG-CD1 3.89Å; L1051-L1055 HydrophobicContact CG-CG 4.36Å; L1051-L1055 WeakPolarHBondContact O-CB 3.47Å; L1051-L1055 WeakPolarHBondContact O-CG 3.41Å; L1051-L1055 PolarHBondContact O-N 2.79Å |
| 1052 | S | 86.6 | Confident | 80.2 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 174.5 | 44.9 | 0 | 0 | 0 | 0 | 113.1 | R1048 N1049 L1055 E1056 | R1048-S1052 PolarHBondContact O-N 3.29Å; R1048-S1052 PolarHBondContact O-OG 3.5Å; N1049-S1052 WeakPolarHBondContact CA-OG 3.23Å; N1049-S1052 PolarHBondContact O-N 3.21Å; N1049-S1052 PolarHBondContact O-OG 3.42Å; S1052-L1055 PolarHBondContact O-N 3.19Å; S1052-E1056 PolarHBondContact O-N 2.93Å |
| 1053 | V | 89.3 | Confident | 82.3 | Confident | 104 Ų | 104 | 70.8 Ų | 70.8 | 63% | 0.63 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67.9 | -40.3 | 176.4 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | N1049 T1050 L1051 R1057 | N1049-V1053 WeakPolarHBondContact O-CG2 3.49Å; N1049-V1053 PolarHBondContact O-N 2.82Å; T1050-V1053 PolarHBondContact O-N 3.24Å; L1051-V1053 PolarHBondContact O-N 2.84Å; V1053-R1057 WeakPolarHBondContact O-CB 3.47Å; V1053-R1057 PolarHBondContact O-N 3.1Å |
| 1054 | I | 90.2 | Very high | 84.4 | Confident | 65 Ų | 65 | 75.3 Ų | 75.3 | 33% | 0.333 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 174.5 | -68.8 | 167.4 | 0 | 0 | 0 | 110.7 | L1035 T1050 L1051 E1056 R1057 N1058 | L1035-I1054 HydrophobicContact CD1-CG2 4.01Å; T1050-I1054 HydrophobicContact CG2-CD1 3.91Å; T1050-I1054 VanDerWaalsContact O-CG1 3.3Å; T1050-I1054 WeakPolarHBondContact O-CG1 3.36Å; T1050-I1054 PolarHBondContact O-N 3.29Å; L1051-I1054 PolarHBondContact O-N 2.98Å; I1054-E1056 PolarHBondContact O-N 3.22Å; I1054-R1057 PolarHBondContact O-N 2.92Å; I1054-N1058 WeakPolarHBondContact O-CB 3.41Å; I1054-N1058 PolarHBondContact O-N 2.71Å; I1054-N1058 PolarHBondContact O-OD1 3.25Å; I1054-N1058 VanDerWaalsContact O-OD1 3.08Å |
| 1055 | L | 92 | Very high | 86.4 | Confident | 33 Ų | 33 | 72.7 Ų | 72.7 | 17% | 0.173 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60 | -45 | 178.5 | -76.2 | 167.5 | 0 | 0 | 0 | 111.7 | I1030 P1032 L1035 L1051 S1052 N1058 R1059 | I1030-L1055 HydrophobicContact CB-CD2 4.46Å; I1030-L1055 WeakPolarHBondContact O-CD2 3.44Å; P1032-L1055 HydrophobicContact CB-CD1 4.18Å; P1032-L1055 HydrophobicContact CG-CD1 3.87Å; P1032-L1055 HydrophobicContact CG-CD2 4.36Å; L1035-L1055 HydrophobicContact CD1-CD2 3.54Å; L1035-L1055 HydrophobicContact CD1-CG 3.97Å; L1051-L1055 HydrophobicContact CD1-CD1 4.15Å; L1051-L1055 HydrophobicContact CD1-CG 4.14Å; L1051-L1055 HydrophobicContact CG-CD1 3.89Å; L1051-L1055 HydrophobicContact CG-CG 4.36Å; L1051-L1055 WeakPolarHBondContact O-CB 3.47Å; L1051-L1055 WeakPolarHBondContact O-CG 3.41Å; L1051-L1055 PolarHBondContact O-N 2.79Å; S1052-L1055 PolarHBondContact O-N 3.19Å; L1055-N1058 PolarHBondContact O-N 3.24Å; L1055-R1059 VanDerWaalsContact O-CB 3.22Å; L1055-R1059 WeakPolarHBondContact O-CB 3.24Å; L1055-R1059 PolarHBondContact O-N 2.98Å |
| 1056 | E | 91.6 | Very high | 88.3 | Confident | 90 Ų | 90 | 68.5 Ų | 68.5 | 42% | 0.421 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.8 | -35.9 | 179.5 | -167.5 | 55.8 | -147.1 | 0 | 0 | 112.1 | S1052 I1054 R1059 T1060 | S1052-E1056 PolarHBondContact O-N 2.93Å; I1054-E1056 PolarHBondContact O-N 3.22Å; E1056-R1059 PolarHBondContact O-N 2.88Å; E1056-R1059 IonicContact OE1-NH1 3.14Å; E1056-R1059 PolarHBondContact OE1-NH1 2.87Å; E1056-R1059 WeakPolarHBondContact OE2-CD 3.29Å; E1056-R1059 IonicContact OE2-CZ 3.35Å; E1056-R1059 IonicContact OE2-NH1 2.75Å; E1056-R1059 PolarHBondContact OE2-NH1 2.74Å; E1056-T1060 WeakPolarHBondContact O-CB 3.49Å; E1056-T1060 PolarHBondContact O-N 3.41Å; E1056-T1060 PolarHBondContact O-OG1 3.46Å |
| 1057 | R | 92.7 | Very high | 90.1 | Very high | 115 Ų | 115 | 65 Ų | 65 | 43% | 0.434 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 170.7 | -171.2 | -162.9 | 68.5 | 86.5 | 4.7 | 111.7 | D1026 V1053 I1054 R1059 T1060 A1061 | D1026-R1057 IonicContact OD1-NH1 2.69Å; D1026-R1057 PolarHBondContact OD1-NH1 2.89Å; D1026-R1057 VanDerWaalsContact OD1-NH1 3.15Å; V1053-R1057 WeakPolarHBondContact O-CB 3.47Å; V1053-R1057 PolarHBondContact O-N 3.1Å; I1054-R1057 PolarHBondContact O-N 2.92Å; R1057-R1059 VanDerWaalsContact C-N 3.34Å; R1057-R1059 PolarHBondContact O-N 3.19Å; R1057-T1060 PolarHBondContact O-N 3.46Å; R1057-A1061 WeakPolarHBondContact O-CB 3.44Å; R1057-A1061 PolarHBondContact O-N 2.98Å |
| 1058 | N | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 178.5 | -71.6 | 12.6 | 0 | 0 | 0 | 111 | D1027 E1029 I1030 I1054 L1055 A1061 L1062 | D1027-N1058 PolarHBondContact O-OD1 2.73Å; D1027-N1058 VanDerWaalsContact O-OD1 3.14Å; E1029-N1058 WeakPolarHBondContact O-CB 3.43Å; E1029-N1058 PolarHBondContact O-ND2 3.33Å; I1030-N1058 HydrophobicContact CG2-CB 4.22Å; I1054-N1058 WeakPolarHBondContact O-CB 3.41Å; I1054-N1058 PolarHBondContact O-N 2.71Å; I1054-N1058 PolarHBondContact O-OD1 3.25Å; I1054-N1058 VanDerWaalsContact O-OD1 3.08Å; L1055-N1058 PolarHBondContact O-N 3.24Å; N1058-A1061 PolarHBondContact O-N 2.89Å; N1058-L1062 WeakPolarHBondContact O-CB 3.16Å; N1058-L1062 PolarHBondContact O-N 2.83Å |
| 1059 | R | 94.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 55 Ų | 55 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 175.2 | 179.5 | -176.5 | 172.1 | -149.9 | -1.2 | 112.1 | I1030 L1055 E1056 R1057 A1061 L1062 L1063 A1168 L1169 | I1030-R1059 HydrophobicContact CG2-CB 3.92Å; L1055-R1059 VanDerWaalsContact O-CB 3.22Å; L1055-R1059 WeakPolarHBondContact O-CB 3.24Å; L1055-R1059 PolarHBondContact O-N 2.98Å; E1056-R1059 PolarHBondContact O-N 2.88Å; E1056-R1059 IonicContact OE1-NH1 3.14Å; E1056-R1059 PolarHBondContact OE1-NH1 2.87Å; E1056-R1059 WeakPolarHBondContact OE2-CD 3.29Å; E1056-R1059 IonicContact OE2-CZ 3.35Å; E1056-R1059 IonicContact OE2-NH1 2.75Å; E1056-R1059 PolarHBondContact OE2-NH1 2.74Å; R1057-R1059 VanDerWaalsContact C-N 3.34Å; R1057-R1059 PolarHBondContact O-N 3.19Å; R1059-A1061 VanDerWaalsContact C-N 3.32Å; R1059-A1061 PolarHBondContact O-N 3.46Å; R1059-L1062 PolarHBondContact O-N 3.21Å; R1059-L1063 HydrophobicContact CG-CD1 4.19Å; R1059-L1063 WeakPolarHBondContact O-CB 3.21Å; R1059-L1063 WeakPolarHBondContact O-CG 3.48Å; R1059-L1063 PolarHBondContact O-N 3.19Å; R1059-A1168 PolarHBondContact NH2-O 3.48Å; R1059-L1169 HydrophobicContact CG-CD2 3.88Å |
| 1060 | T | 94.4 | Very high | 93.2 | Very high | 81 Ų | 81 | 50 Ų | 50 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.9 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | E1056 R1057 K1064 | E1056-T1060 WeakPolarHBondContact O-CB 3.49Å; E1056-T1060 PolarHBondContact O-N 3.41Å; E1056-T1060 PolarHBondContact O-OG1 3.46Å; R1057-T1060 PolarHBondContact O-N 3.46Å; T1060-K1064 VanDerWaalsContact O-CB 3.28Å; T1060-K1064 WeakPolarHBondContact O-CB 3.47Å; T1060-K1064 PolarHBondContact O-N 3.48Å |
| 1061 | A | 94.2 | Very high | 93.8 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1028 R1057 N1058 R1059 N1065 | F1028-A1061 HydrophobicContact CD1-CB 3.76Å; F1028-A1061 HydrophobicContact CE1-CB 3.69Å; R1057-A1061 WeakPolarHBondContact O-CB 3.44Å; R1057-A1061 PolarHBondContact O-N 2.98Å; N1058-A1061 PolarHBondContact O-N 2.89Å; R1059-A1061 VanDerWaalsContact C-N 3.32Å; R1059-A1061 PolarHBondContact O-N 3.46Å; A1061-N1065 PolarHBondContact O-N 3.33Å; A1061-N1065 VanDerWaalsContact O-N 3.16Å; A1061-N1065 PolarHBondContact O-ND2 3.21Å |
| 1062 | L | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -53.8 | 174 | 178.6 | 58.8 | 0 | 0 | 0 | 111.2 | F1028 I1030 N1058 R1059 K1064 N1065 V1066 L1145 I1146 V1149 L1169 | F1028-L1062 HydrophobicContact CB-CB 4.09Å; F1028-L1062 HydrophobicContact CB-CD1 4.2Å; F1028-L1062 HydrophobicContact CD2-CD1 4.21Å; F1028-L1062 HydrophobicContact CG-CB 4.34Å; F1028-L1062 HydrophobicContact CG-CD1 4.45Å; I1030-L1062 HydrophobicContact CD1-CD2 4.21Å; N1058-L1062 WeakPolarHBondContact O-CB 3.16Å; N1058-L1062 PolarHBondContact O-N 2.83Å; R1059-L1062 PolarHBondContact O-N 3.21Å; L1062-K1064 VanDerWaalsContact C-N 3.35Å; L1062-K1064 PolarHBondContact O-N 3.22Å; L1062-N1065 PolarHBondContact O-N 2.78Å; L1062-N1065 VanDerWaalsContact O-N 3.17Å; L1062-V1066 HydrophobicContact CD1-CG2 4.03Å; L1062-V1066 HydrophobicContact CG-CG2 4.42Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.29Å; L1062-V1066 PolarHBondContact O-N 2.74Å; L1062-L1145 HydrophobicContact CD1-CB 3.93Å; L1062-L1145 HydrophobicContact CD2-CB 4.37Å; L1062-I1146 HydrophobicContact CD1-CG1 3.82Å; L1062-V1149 HydrophobicContact CD2-CG2 4.32Å; L1062-L1169 HydrophobicContact CD2-CD1 4.01Å; L1062-L1169 HydrophobicContact CD2-CD2 4.47Å |
| 1063 | L | 96.2 | Very high | 94.8 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -42.2 | -179.5 | -75.1 | 176.5 | 0 | 0 | 0 | 111.9 | R1059 N1065 V1066 A1067 L1169 F1172 | R1059-L1063 HydrophobicContact CG-CD1 4.19Å; R1059-L1063 WeakPolarHBondContact O-CB 3.21Å; R1059-L1063 WeakPolarHBondContact O-CG 3.48Å; R1059-L1063 PolarHBondContact O-N 3.19Å; L1063-N1065 VanDerWaalsContact C-N 3.32Å; L1063-N1065 PolarHBondContact O-N 2.77Å; L1063-V1066 PolarHBondContact O-N 2.84Å; L1063-A1067 VanDerWaalsContact O-CB 3.26Å; L1063-A1067 WeakPolarHBondContact O-CB 3.31Å; L1063-A1067 PolarHBondContact O-N 2.97Å; L1063-L1169 HydrophobicContact CD1-CD2 4.17Å; L1063-L1169 HydrophobicContact CD2-CB 4.45Å; L1063-L1169 HydrophobicContact CD2-CD2 3.77Å; L1063-L1169 HydrophobicContact CG-CD2 3.85Å; L1063-F1172 HydrophobicContact CD2-CB 3.67Å; L1063-F1172 HydrophobicContact CD2-CD1 4.26Å; L1063-F1172 HydrophobicContact CD2-CG 3.99Å |
| 1064 | K | 95.1 | Very high | 95.1 | Very high | 156 Ų | 156 | 49.1 Ų | 49.1 | 68% | 0.678 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -56.5 | -44.7 | 174.6 | -178.6 | -178 | 176.9 | -176.1 | 0 | 112.2 | T1060 L1062 M1068 | T1060-K1064 VanDerWaalsContact O-CB 3.28Å; T1060-K1064 WeakPolarHBondContact O-CB 3.47Å; T1060-K1064 PolarHBondContact O-N 3.48Å; L1062-K1064 VanDerWaalsContact C-N 3.35Å; L1062-K1064 PolarHBondContact O-N 3.22Å; K1064-M1068 VanDerWaalsContact O-CB 3.31Å; K1064-M1068 WeakPolarHBondContact O-CB 3.46Å; K1064-M1068 PolarHBondContact O-N 3.27Å |
| 1065 | N | 94.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.8 | -37.5 | -179.7 | -77.4 | -80.8 | 0 | 0 | 0 | 112.6 | L1021 F1028 A1061 L1062 L1063 I1069 I1146 | L1021-N1065 WeakPolarHBondContact CD2-OD1 3.46Å; F1028-N1065 HydrophobicContact CE2-CB 4.34Å; F1028-N1065 HydrophobicContact CZ-CB 4.44Å; F1028-N1065 VanDerWaalsContact CZ-ND2 3.29Å; F1028-N1065 WeakPolarHBondContact CZ-ND2 3.46Å; A1061-N1065 PolarHBondContact O-N 3.33Å; A1061-N1065 VanDerWaalsContact O-N 3.16Å; A1061-N1065 PolarHBondContact O-ND2 3.21Å; L1062-N1065 PolarHBondContact O-N 2.78Å; L1062-N1065 VanDerWaalsContact O-N 3.17Å; L1063-N1065 VanDerWaalsContact C-N 3.32Å; L1063-N1065 PolarHBondContact O-N 2.77Å; N1065-I1069 WeakPolarHBondContact O-CG1 3.4Å; N1065-I1069 PolarHBondContact O-N 2.98Å; N1065-I1146 HydrophobicContact CB-CD1 4.01Å |
| 1066 | V | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -47.9 | 174.2 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | L1062 L1063 M1068 I1069 W1070 I1146 V1149 F1172 | L1062-V1066 HydrophobicContact CD1-CG2 4.03Å; L1062-V1066 HydrophobicContact CG-CG2 4.42Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.29Å; L1062-V1066 PolarHBondContact O-N 2.74Å; L1063-V1066 PolarHBondContact O-N 2.84Å; V1066-M1068 PolarHBondContact O-N 3.02Å; V1066-I1069 PolarHBondContact O-N 2.96Å; V1066-W1070 WeakPolarHBondContact O-CB 3.39Å; V1066-W1070 PolarHBondContact O-N 3.26Å; V1066-I1146 HydrophobicContact CG2-CB 4.3Å; V1066-I1146 HydrophobicContact CG2-CG1 4.15Å; V1066-I1146 HydrophobicContact CG2-CG2 4.21Å; V1066-V1149 HydrophobicContact CG1-CB 4.22Å; V1066-V1149 HydrophobicContact CG1-CG1 3.87Å; V1066-V1149 HydrophobicContact CG2-CB 4.01Å; V1066-V1149 HydrophobicContact CG2-CG1 4.29Å; V1066-V1149 HydrophobicContact CG2-CG2 4.44Å; V1066-F1172 HydrophobicContact CG1-CD1 4.33Å; V1066-F1172 HydrophobicContact CG1-CE1 3.58Å; V1066-F1172 HydrophobicContact CG1-CZ 4.07Å |
| 1067 | A | 96.8 | Very high | 95.3 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1063 I1069 W1070 Q1071 F1172 | L1063-A1067 VanDerWaalsContact O-CB 3.26Å; L1063-A1067 WeakPolarHBondContact O-CB 3.31Å; L1063-A1067 PolarHBondContact O-N 2.97Å; A1067-I1069 PolarHBondContact O-N 2.94Å; A1067-W1070 PolarHBondContact O-N 3.11Å; A1067-Q1071 VanDerWaalsContact O-CB 3.3Å; A1067-Q1071 WeakPolarHBondContact O-CB 3.21Å; A1067-Q1071 PolarHBondContact O-N 3.5Å; A1067-F1172 HydrophobicContact CB-CE2 3.79Å; A1067-F1172 HydrophobicContact CB-CZ 4.27Å |
| 1068 | M | 96.1 | Very high | 95.2 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 27% | 0.271 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 174.8 | -178.8 | 177.9 | 63 | 0 | 0 | 112.5 | V1017 K1064 V1066 R1072 | V1017-M1068 HydrophobicContact CB-CE 4.36Å; V1017-M1068 HydrophobicContact CG1-CE 3.6Å; V1017-M1068 HydrophobicContact CG2-CE 3.97Å; K1064-M1068 VanDerWaalsContact O-CB 3.31Å; K1064-M1068 WeakPolarHBondContact O-CB 3.46Å; K1064-M1068 PolarHBondContact O-N 3.27Å; V1066-M1068 PolarHBondContact O-N 3.02Å; M1068-R1072 WeakPolarHBondContact O-CG 3.25Å; M1068-R1072 PolarHBondContact O-N 2.74Å; M1068-R1072 VanDerWaalsContact O-N 3.15Å |
| 1069 | I | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.1 | -44.6 | 176 | -71.7 | 166.1 | 0 | 0 | 0 | 110.7 | L1014 V1017 N1065 V1066 A1067 R1072 I1073 I1121 I1146 L1150 | L1014-I1069 HydrophobicContact CD2-CG2 3.95Å; V1017-I1069 HydrophobicContact CB-CG1 4.39Å; V1017-I1069 HydrophobicContact CG1-CD1 3.85Å; V1017-I1069 HydrophobicContact CG1-CG1 3.67Å; N1065-I1069 WeakPolarHBondContact O-CG1 3.4Å; N1065-I1069 PolarHBondContact O-N 2.98Å; V1066-I1069 PolarHBondContact O-N 2.96Å; A1067-I1069 PolarHBondContact O-N 2.94Å; I1069-R1072 PolarHBondContact O-N 2.73Å; I1069-I1073 HydrophobicContact CG2-CD1 3.77Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.46Å; I1069-I1073 PolarHBondContact O-N 3.24Å; I1069-I1121 HydrophobicContact CG2-CD1 4.09Å; I1069-I1146 HydrophobicContact CD1-CD1 4.34Å; I1069-I1146 HydrophobicContact CD1-CG2 3.45Å; I1069-I1146 VanDerWaalsContact CD1-CG2 3.45Å; I1069-L1150 HydrophobicContact CG2-CD2 4.08Å |
| 1070 | W | 97.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -50 | 178.7 | 176.4 | -130.3 | 0 | 0 | 0 | 111.8 | V1066 A1067 R1072 I1073 E1074 F1113 L1150 L1153 F1172 E1176 T1179 M1180 F1183 | V1066-W1070 WeakPolarHBondContact O-CB 3.39Å; V1066-W1070 PolarHBondContact O-N 3.26Å; A1067-W1070 PolarHBondContact O-N 3.11Å; W1070-R1072 VanDerWaalsContact C-N 3.27Å; W1070-R1072 PolarHBondContact O-N 2.69Å; W1070-I1073 HydrophobicContact CE3-CB 4.23Å; W1070-I1073 HydrophobicContact CE3-CG2 4.3Å; W1070-I1073 HydrophobicContact CZ3-CB 4.41Å; W1070-I1073 HydrophobicContact CZ3-CG2 4.01Å; W1070-I1073 WeakPolarHBondContact O-CA 3.22Å; W1070-I1073 WeakPolarHBondContact O-CB 3.25Å; W1070-I1073 PolarHBondContact O-N 3.46Å; W1070-E1074 PolarHBondContact O-N 3.38Å; W1070-F1113 HydrophobicContact CZ3-CE1 4.49Å; W1070-F1113 HydrophobicContact CZ3-CZ 4.03Å; W1070-L1150 HydrophobicContact CB-CD1 4.5Å; W1070-L1150 HydrophobicContact CE3-CD1 4.29Å; W1070-L1153 HydrophobicContact CD2-CD2 4Å; W1070-L1153 HydrophobicContact CG-CD2 4.13Å; W1070-F1172 HydrophobicContact CB-CZ 4.4Å; W1070-E1176 PolarHBondContact NE1-OE2 2.83Å; W1070-T1179 HydrophobicContact CZ2-CG2 4Å; W1070-M1180 HydrophobicContact CE3-CE 3.84Å; W1070-M1180 HydrophobicContact CH2-CB 4.18Å; W1070-M1180 HydrophobicContact CH2-CE 3.45Å; W1070-M1180 VanDerWaalsContact CH2-CE 3.45Å; W1070-M1180 HydrophobicContact CH2-SD 3.73Å; W1070-M1180 HydrophobicContact CZ2-CB 4.15Å; W1070-M1180 HydrophobicContact CZ2-CE 4.11Å; W1070-M1180 HydrophobicContact CZ3-CE 3.28Å; W1070-M1180 HydrophobicContact CZ3-SD 3.98Å; W1070-F1183 HydrophobicContact CH2-CB 4.07Å; W1070-F1183 HydrophobicContact CH2-CD1 4.1Å; W1070-F1183 HydrophobicContact CH2-CG 4.07Å; W1070-F1183 HydrophobicContact CZ3-CD1 4.34Å |
| 1071 | Q | 96.2 | Very high | 94.8 | Very high | 128 Ų | 128 | 39.8 Ų | 39.8 | 60% | 0.598 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -58.4 | -37.2 | 176.1 | -170.6 | -174.8 | 15.1 | 0 | 0 | 112.3 | A1067 S1075 | A1067-Q1071 VanDerWaalsContact O-CB 3.3Å; A1067-Q1071 WeakPolarHBondContact O-CB 3.21Å; A1067-Q1071 PolarHBondContact O-N 3.5Å; Q1071-S1075 VanDerWaalsContact O-CB 3.29Å; Q1071-S1075 WeakPolarHBondContact O-CB 3.29Å; Q1071-S1075 PolarHBondContact O-N 3.13Å; Q1071-S1075 PolarHBondContact O-OG 2.93Å |
| 1072 | R | 96.7 | Very high | 94.7 | Very high | 73 Ų | 73 | 41 Ų | 41 | 28% | 0.275 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.2 | -36 | 173.8 | -77.1 | -168.2 | 69.9 | 72.3 | 1.2 | 112.9 | Y1012 V1013 M1068 I1069 W1070 S1075 S1076 | Y1012-R1072 PolarHBondContact O-NH2 3.38Å; V1013-R1072 HydrophobicContact CG1-CB 4.26Å; V1013-R1072 PolarHBondContact O-NE 3.13Å; M1068-R1072 WeakPolarHBondContact O-CG 3.25Å; M1068-R1072 PolarHBondContact O-N 2.74Å; M1068-R1072 VanDerWaalsContact O-N 3.15Å; I1069-R1072 PolarHBondContact O-N 2.73Å; W1070-R1072 VanDerWaalsContact C-N 3.27Å; W1070-R1072 PolarHBondContact O-N 2.69Å; R1072-S1075 PolarHBondContact O-OG 2.74Å; R1072-S1076 WeakPolarHBondContact O-CB 3.45Å; R1072-S1076 PolarHBondContact O-N 3.36Å; R1072-S1076 PolarHBondContact O-OG 2.89Å; R1072-S1076 VanDerWaalsContact O-OG 3.05Å |
| 1073 | I | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.3 | -53.9 | 175.4 | -67.8 | 162.3 | 0 | 0 | 0 | 109.7 | V1013 I1069 W1070 S1075 S1076 F1113 I1117 L1150 F1183 | V1013-I1073 HydrophobicContact CG1-CG1 3.67Å; I1069-I1073 HydrophobicContact CG2-CD1 3.77Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.46Å; I1069-I1073 PolarHBondContact O-N 3.24Å; W1070-I1073 HydrophobicContact CE3-CB 4.23Å; W1070-I1073 HydrophobicContact CE3-CG2 4.3Å; W1070-I1073 HydrophobicContact CZ3-CB 4.41Å; W1070-I1073 HydrophobicContact CZ3-CG2 4.01Å; W1070-I1073 WeakPolarHBondContact O-CA 3.22Å; W1070-I1073 WeakPolarHBondContact O-CB 3.25Å; W1070-I1073 PolarHBondContact O-N 3.46Å; I1073-S1075 PolarHBondContact O-N 3.41Å; I1073-S1076 PolarHBondContact O-N 3.22Å; I1073-S1076 PolarHBondContact O-OG 3.26Å; I1073-F1113 HydrophobicContact CD1-CE1 4.16Å; I1073-F1113 HydrophobicContact CG2-CE1 4.35Å; I1073-F1113 HydrophobicContact CG2-CZ 4.15Å; I1073-I1117 HydrophobicContact CD1-CD1 4.24Å; I1073-I1117 HydrophobicContact CD1-CG2 3.9Å; I1073-I1117 HydrophobicContact CG1-CD1 4.4Å; I1073-I1117 HydrophobicContact CG2-CD1 4.32Å; I1073-L1150 HydrophobicContact CD1-CD1 4.41Å; I1073-L1150 HydrophobicContact CD1-CD2 3.88Å; I1073-F1183 HydrophobicContact CG2-CE1 4.08Å; I1073-F1183 HydrophobicContact CG2-CE2 4.12Å; I1073-F1183 HydrophobicContact CG2-CZ 3.6Å |
| 1074 | E | 95.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 33% | 0.332 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -55.9 | -53.7 | -179.5 | -171.2 | -162.2 | -178.7 | 0 | 0 | 111.8 | W1070 S1076 Q1077 T1179 | W1070-E1074 PolarHBondContact O-N 3.38Å; E1074-S1076 PolarHBondContact O-N 3.29Å; E1074-S1076 VanDerWaalsContact O-N 3.12Å; E1074-Q1077 WeakPolarHBondContact O-CB 3.22Å; E1074-Q1077 WeakPolarHBondContact O-CG 3.21Å; E1074-Q1077 PolarHBondContact O-N 2.97Å; E1074-T1179 HydrophobicContact CG-CG2 4.4Å; E1074-T1179 VanDerWaalsContact OE1-CG2 3.3Å; E1074-T1179 WeakPolarHBondContact OE1-CG2 3.44Å |
| 1075 | S | 93.6 | Very high | 94.5 | Very high | 77 Ų | 77 | 33.2 Ų | 33.2 | 54% | 0.538 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.8 | -14.8 | 179.2 | 60.3 | 0 | 0 | 0 | 0 | 114.1 | Q1071 R1072 I1073 | Q1071-S1075 VanDerWaalsContact O-CB 3.29Å; Q1071-S1075 WeakPolarHBondContact O-CB 3.29Å; Q1071-S1075 PolarHBondContact O-N 3.13Å; Q1071-S1075 PolarHBondContact O-OG 2.93Å; R1072-S1075 PolarHBondContact O-OG 2.74Å; I1073-S1075 PolarHBondContact O-N 3.41Å |
| 1076 | S | 93.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 2.8 | 177.5 | 73.6 | 0 | 0 | 0 | 0 | 114.8 | Y1009 V1013 R1072 I1073 E1074 C1078 K1079 L1080 | Y1009-S1076 WeakPolarHBondContact CE2-OG 3.03Å; Y1009-S1076 PolarHBondContact OH-OG 3.04Å; V1013-S1076 VanDerWaalsContact CG2-OG 3.28Å; V1013-S1076 WeakPolarHBondContact CG2-OG 3.41Å; R1072-S1076 WeakPolarHBondContact O-CB 3.45Å; R1072-S1076 PolarHBondContact O-N 3.36Å; R1072-S1076 PolarHBondContact O-OG 2.89Å; R1072-S1076 VanDerWaalsContact O-OG 3.05Å; I1073-S1076 PolarHBondContact O-N 3.22Å; I1073-S1076 PolarHBondContact O-OG 3.26Å; E1074-S1076 PolarHBondContact O-N 3.29Å; E1074-S1076 VanDerWaalsContact O-N 3.12Å; S1076-C1078 PolarHBondContact O-N 3.19Å; S1076-K1079 WeakPolarHBondContact O-CA 3.38Å; S1076-K1079 PolarHBondContact O-N 3.33Å; S1076-L1080 PolarHBondContact O-N 3.21Å |
| 1077 | Q | 91.8 | Very high | 94.4 | Very high | 48 Ų | 48 | 34.9 Ų | 34.9 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -28.2 | 179.5 | 66.4 | -176.4 | -9.5 | 0 | 0 | 114.7 | E1074 K1079 F1183 S1186 V1187 N1194 | E1074-Q1077 WeakPolarHBondContact O-CB 3.22Å; E1074-Q1077 WeakPolarHBondContact O-CG 3.21Å; E1074-Q1077 PolarHBondContact O-N 2.97Å; Q1077-K1079 VanDerWaalsContact C-N 3.33Å; Q1077-F1183 HydrophobicContact CB-CD2 4.15Å; Q1077-F1183 HydrophobicContact CB-CE2 3.91Å; Q1077-S1186 PolarHBondContact OE1-OG 3.32Å; Q1077-V1187 HydrophobicContact CB-CG1 4.36Å; Q1077-N1194 PolarHBondContact NE2-ND2 3.02Å |
| 1078 | C | 89.3 | Confident | 94.3 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 22% | 0.216 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -5.1 | 175.9 | 62.9 | 0 | 0 | 0 | 0 | 114.1 | S1076 N1194 L1197 S1198 | S1076-C1078 PolarHBondContact O-N 3.19Å; C1078-N1194 HydrophobicContact CB-CB 4.01Å; C1078-L1197 HydrophobicContact CB-CB 4.04Å; C1078-L1197 CarbonylContact O-C 3.38Å; C1078-L1197 VanDerWaalsContact O-O 3.08Å; C1078-S1198 WeakPolarHBondContact O-CA 3.42Å; C1078-S1198 PolarHBondContact O-N 3.5Å; C1078-S1198 VanDerWaalsContact O-N 3.16Å |
| 1079 | K | 90.2 | Very high | 94.3 | Very high | 84 Ų | 84 | 31.7 Ų | 31.7 | 37% | 0.365 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 0.5 | 176.5 | -67.9 | -175.7 | 174.1 | -171.6 | 0 | 113 | Y1009 Y1012 S1076 Q1077 T1199 | Y1009-K1079 HydrophobicContact CD2-CB 4.46Å; Y1009-K1079 VanDerWaalsContact CD2-O 3.32Å; Y1009-K1079 WeakPolarHBondContact CD2-O 3.46Å; Y1012-K1079 HydrophobicContact CD1-CD 4.11Å; Y1012-K1079 HydrophobicContact CE1-CD 3.51Å; Y1012-K1079 HydrophobicContact CE2-CD 4.16Å; Y1012-K1079 VanDerWaalsContact CZ-NZ 3.26Å; Y1012-K1079 PolarHBondContact OH-NZ 3.36Å; S1076-K1079 WeakPolarHBondContact O-CA 3.38Å; S1076-K1079 PolarHBondContact O-N 3.33Å; Q1077-K1079 VanDerWaalsContact C-N 3.33Å; K1079-T1199 PolarHBondContact O-OG1 2.71Å |
| 1080 | L | 93.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -63.2 | 129.4 | 169.3 | -174.9 | 72.1 | 0 | 0 | 0 | 108.5 | Y1009 S1076 L1084 R1085 F1088 V1187 S1198 | Y1009-L1080 HydrophobicContact CD1-CD1 4Å; Y1009-L1080 HydrophobicContact CE1-CD1 3.68Å; Y1009-L1080 HydrophobicContact CE2-CB 4.22Å; Y1009-L1080 HydrophobicContact CE2-CD1 4.27Å; Y1009-L1080 HydrophobicContact CG-CD1 4.42Å; S1076-L1080 PolarHBondContact O-N 3.21Å; L1080-L1084 HydrophobicContact CD1-CD1 3.96Å; L1080-L1084 HydrophobicContact CG-CB 4.34Å; L1080-R1085 HydrophobicContact CD2-CG 3.85Å; L1080-R1085 HydrophobicContact CG-CG 4.29Å; L1080-F1088 HydrophobicContact CD2-CD2 4.14Å; L1080-F1088 HydrophobicContact CD2-CE2 3.98Å; L1080-V1187 HydrophobicContact CD2-CB 3.7Å; L1080-V1187 HydrophobicContact CD2-CG1 3.8Å; L1080-S1198 WeakPolarHBondContact O-CB 3.43Å |
| 1081 | P | 93.1 | Very high | 94 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | trans | -51.9 | 143 | -176.7 | -29.2 | 33.8 | 0 | 0 | 0 | 114 | E1083 L1084 R1085 T1199 | P1081-E1083 WeakPolarHBondContact CB-OE2 3.33Å; P1081-E1083 PolarHBondContact O-N 3.31Å; P1081-L1084 HydrophobicContact CB-CG 4.41Å; P1081-L1084 HydrophobicContact CG-CD1 4.34Å; P1081-L1084 PolarHBondContact O-N 3.29Å; P1081-L1084 VanDerWaalsContact O-N 3.14Å; P1081-R1085 PolarHBondContact O-N 3.17Å; P1081-R1085 VanDerWaalsContact O-N 3.13Å; P1081-T1199 VanDerWaalsContact CA-O 3.31Å; P1081-T1199 WeakPolarHBondContact CA-O 3.44Å | ||
| 1082 | K | 92.4 | Very high | 94 | Very high | 40 Ų | 40 | 26.7 Ų | 26.7 | 17% | 0.174 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.4 | -43.3 | 178.3 | -80.1 | -166.7 | -174.1 | 79.2 | 0 | 111.6 | L1084 R1085 D1086 Y1195 S1198 T1199 N1200 | K1082-L1084 PolarHBondContact O-N 3.4Å; K1082-R1085 CarbonylContact O-C 3.12Å; K1082-R1085 WeakPolarHBondContact O-CA 3.3Å; K1082-R1085 WeakPolarHBondContact O-CB 3.47Å; K1082-R1085 PolarHBondContact O-N 3.06Å; K1082-D1086 PolarHBondContact O-N 3.04Å; K1082-Y1195 HydrophobicContact CB-CE2 4.42Å; K1082-Y1195 HydrophobicContact CD-CE2 4.49Å; K1082-Y1195 HydrophobicContact CG-CE2 4.17Å; K1082-S1198 WeakPolarHBondContact CG-OG 3.42Å; K1082-S1198 PolarHBondContact NZ-O 3.28Å; K1082-T1199 PolarHBondContact N-O 3.26Å; K1082-N1200 WeakPolarHBondContact CD-OD1 3.16Å; K1082-N1200 PolarHBondContact NZ-OD1 3.33Å |
| 1083 | E | 92.4 | Very high | 93.9 | Very high | 26 Ų | 26 | 27.9 Ų | 27.9 | 12% | 0.121 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -28.4 | -175.7 | -50 | 79.6 | -176.2 | 0 | 0 | 111.2 | Y1001 P1081 V1087 N1200 S1201 | Y1001-E1083 VanDerWaalsContact OH-CB 3.32Å; Y1001-E1083 WeakPolarHBondContact OH-CB 3.35Å; P1081-E1083 WeakPolarHBondContact CB-OE2 3.33Å; P1081-E1083 PolarHBondContact O-N 3.31Å; E1083-V1087 WeakPolarHBondContact O-CG2 3.41Å; E1083-V1087 PolarHBondContact O-N 3.09Å; E1083-N1200 WeakPolarHBondContact OE1-CA 3.2Å; E1083-S1201 VanDerWaalsContact CD-N 3.35Å; E1083-S1201 PolarHBondContact OE1-N 2.77Å; E1083-S1201 PolarHBondContact OE2-N 3.42Å |
| 1084 | L | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -77.8 | -38 | 168.5 | -69.7 | -177 | 0 | 0 | 0 | 113.4 | Y1001 I1002 V1005 L1080 P1081 K1082 D1086 V1087 F1088 | Y1001-L1084 HydrophobicContact CD1-CD2 3.99Å; Y1001-L1084 HydrophobicContact CE1-CD2 3.91Å; I1002-L1084 HydrophobicContact CB-CD2 4.35Å; I1002-L1084 HydrophobicContact CG1-CD1 3.97Å; I1002-L1084 HydrophobicContact CG1-CD2 4.02Å; V1005-L1084 HydrophobicContact CG2-CD1 4.04Å; V1005-L1084 HydrophobicContact CG2-CD2 3.39Å; V1005-L1084 HydrophobicContact CG2-CG 3.45Å; V1005-L1084 VanDerWaalsContact CG2-CG 3.45Å; L1080-L1084 HydrophobicContact CD1-CD1 3.96Å; L1080-L1084 HydrophobicContact CG-CB 4.34Å; P1081-L1084 HydrophobicContact CB-CG 4.41Å; P1081-L1084 HydrophobicContact CG-CD1 4.34Å; P1081-L1084 PolarHBondContact O-N 3.29Å; P1081-L1084 VanDerWaalsContact O-N 3.14Å; K1082-L1084 PolarHBondContact O-N 3.4Å; L1084-D1086 VanDerWaalsContact C-N 3.31Å; L1084-V1087 PolarHBondContact O-N 3Å; L1084-F1088 HydrophobicContact CB-CE2 4.33Å; L1084-F1088 WeakPolarHBondContact O-CB 3.46Å; L1084-F1088 WeakPolarHBondContact O-CD2 3.49Å; L1084-F1088 WeakPolarHBondContact O-CG 3.49Å; L1084-F1088 PolarHBondContact O-N 3.09Å |
| 1085 | R | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65 | -37.3 | 176.4 | -68.9 | 179.2 | 117.7 | -82.7 | -0.3 | 111.1 | L1080 P1081 K1082 F1088 T1089 S1186 S1189 N1190 D1192 Y1195 | L1080-R1085 HydrophobicContact CD2-CG 3.85Å; L1080-R1085 HydrophobicContact CG-CG 4.29Å; P1081-R1085 PolarHBondContact O-N 3.17Å; P1081-R1085 VanDerWaalsContact O-N 3.13Å; K1082-R1085 CarbonylContact O-C 3.12Å; K1082-R1085 WeakPolarHBondContact O-CA 3.3Å; K1082-R1085 WeakPolarHBondContact O-CB 3.47Å; K1082-R1085 PolarHBondContact O-N 3.06Å; R1085-F1088 PolarHBondContact O-N 3.15Å; R1085-T1089 VanDerWaalsContact O-CB 3.3Å; R1085-T1089 WeakPolarHBondContact O-CB 3.3Å; R1085-T1089 PolarHBondContact O-N 3.23Å; R1085-T1089 PolarHBondContact O-OG1 3.44Å; R1085-S1186 PolarHBondContact NH2-O 3.1Å; R1085-S1189 PolarHBondContact NH1-O 3.49Å; R1085-N1190 PolarHBondContact O-OD1 3.45Å; R1085-D1192 IonicContact NH2-OD2 3.58Å; R1085-D1192 PolarHBondContact NH2-OD2 3.47Å; R1085-Y1195 HydrophobicContact CB-CD2 4.23Å; R1085-Y1195 HydrophobicContact CB-CE2 4.27Å |
| 1086 | D | 94.1 | Very high | 93.3 | Very high | 53 Ų | 53 | 25 Ų | 25 | 28% | 0.283 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -63.6 | -47.7 | 172.9 | -68.4 | -32.7 | 0 | 0 | 0 | 111.5 | K1082 L1084 T1089 A1090 N1190 Y1195 | K1082-D1086 PolarHBondContact O-N 3.04Å; L1084-D1086 VanDerWaalsContact C-N 3.31Å; D1086-T1089 PolarHBondContact O-N 3.29Å; D1086-A1090 WeakPolarHBondContact O-CB 3.39Å; D1086-A1090 PolarHBondContact O-N 3.36Å; D1086-N1190 PolarHBondContact OD1-ND2 2.93Å; D1086-Y1195 PolarHBondContact OD1-OH 2.92Å; D1086-Y1195 VanDerWaalsContact OD1-OH 3.06Å; D1086-Y1195 PolarHBondContact OD2-OH 3.37Å |
| 1087 | V | 95.8 | Very high | 93 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -46.5 | 174.1 | 168.3 | 0 | 0 | 0 | 0 | 111.8 | V966 A967 L970 M998 Y1001 E1083 L1084 T1089 A1090 L1091 | V966-V1087 HydrophobicContact CG1-CG2 4.2Å; A967-V1087 HydrophobicContact CB-CG2 3.97Å; L970-V1087 HydrophobicContact CD1-CG1 3.97Å; L970-V1087 HydrophobicContact CD1-CG2 4.07Å; M998-V1087 HydrophobicContact CE-CG1 3.59Å; M998-V1087 HydrophobicContact SD-CG1 4.01Å; Y1001-V1087 HydrophobicContact CD1-CG2 4.08Å; Y1001-V1087 HydrophobicContact CE1-CB 4.41Å; Y1001-V1087 HydrophobicContact CE1-CG2 3.49Å; Y1001-V1087 VanDerWaalsContact CE1-CG2 3.49Å; E1083-V1087 WeakPolarHBondContact O-CG2 3.41Å; E1083-V1087 PolarHBondContact O-N 3.09Å; L1084-V1087 PolarHBondContact O-N 3Å; V1087-T1089 VanDerWaalsContact C-N 3.34Å; V1087-T1089 PolarHBondContact O-N 3.3Å; V1087-A1090 PolarHBondContact O-N 3.15Å; V1087-L1091 WeakPolarHBondContact O-CB 3.35Å; V1087-L1091 PolarHBondContact O-N 3.39Å |
| 1088 | F | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67 | -34.5 | 179.4 | -65.6 | -21.4 | 0 | 0 | 0 | 112.4 | M998 I1002 L1080 L1084 R1085 A1092 I1108 C1111 V1187 A1188 | M998-F1088 HydrophobicContact CE-CE1 4.35Å; I1002-F1088 HydrophobicContact CD1-CZ 4.14Å; L1080-F1088 HydrophobicContact CD2-CD2 4.14Å; L1080-F1088 HydrophobicContact CD2-CE2 3.98Å; L1084-F1088 HydrophobicContact CB-CE2 4.33Å; L1084-F1088 WeakPolarHBondContact O-CB 3.46Å; L1084-F1088 WeakPolarHBondContact O-CD2 3.49Å; L1084-F1088 WeakPolarHBondContact O-CG 3.49Å; L1084-F1088 PolarHBondContact O-N 3.09Å; R1085-F1088 PolarHBondContact O-N 3.15Å; F1088-A1092 VanDerWaalsContact O-CB 3.24Å; F1088-A1092 WeakPolarHBondContact O-CB 3.41Å; F1088-A1092 PolarHBondContact O-N 2.97Å; F1088-I1108 HydrophobicContact CB-CD1 4.36Å; F1088-I1108 HydrophobicContact CD1-CG2 4.39Å; F1088-I1108 HydrophobicContact CD2-CG2 4.34Å; F1088-I1108 HydrophobicContact CG-CG2 4.17Å; F1088-C1111 HydrophobicContact CE1-CB 4.33Å; F1088-V1187 HydrophobicContact CD2-CB 4.43Å; F1088-V1187 HydrophobicContact CD2-CG2 4.32Å; F1088-A1188 HydrophobicContact CB-CB 4.45Å |
| 1089 | T | 95.2 | Very high | 92.7 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 14% | 0.135 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.8 | -48.7 | 174.1 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | R1085 D1086 V1087 L1091 A1092 L1093 A1188 N1190 | R1085-T1089 VanDerWaalsContact O-CB 3.3Å; R1085-T1089 WeakPolarHBondContact O-CB 3.3Å; R1085-T1089 PolarHBondContact O-N 3.23Å; R1085-T1089 PolarHBondContact O-OG1 3.44Å; D1086-T1089 PolarHBondContact O-N 3.29Å; V1087-T1089 VanDerWaalsContact C-N 3.34Å; V1087-T1089 PolarHBondContact O-N 3.3Å; T1089-L1091 VanDerWaalsContact C-N 3.3Å; T1089-L1091 PolarHBondContact O-N 3.39Å; T1089-A1092 PolarHBondContact O-N 2.98Å; T1089-L1093 HydrophobicContact CG2-CD1 4.28Å; T1089-L1093 WeakPolarHBondContact O-CG 3.25Å; T1089-L1093 PolarHBondContact O-N 3.32Å; T1089-A1188 WeakPolarHBondContact CA-O 3.3Å; T1089-A1188 PolarHBondContact OG1-O 3.24Å; T1089-A1188 VanDerWaalsContact OG1-O 3.14Å; T1089-N1190 HydrophobicContact CG2-CB 4.25Å; T1089-N1190 VanDerWaalsContact OG1-CG 3.24Å; T1089-N1190 PolarHBondContact OG1-N 3.01Å; T1089-N1190 PolarHBondContact OG1-OD1 2.91Å; T1089-N1190 VanDerWaalsContact OG1-OD1 3.11Å |
| 1090 | A | 95.2 | Very high | 92.7 | Very high | 24 Ų | 24 | 33.6 Ų | 33.6 | 20% | 0.198 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A967 D1086 V1087 T1094 | A967-A1090 HydrophobicContact CB-CB 4Å; D1086-A1090 WeakPolarHBondContact O-CB 3.39Å; D1086-A1090 PolarHBondContact O-N 3.36Å; V1087-A1090 PolarHBondContact O-N 3.15Å; A1090-T1094 VanDerWaalsContact O-CB 3.32Å; A1090-T1094 WeakPolarHBondContact O-CB 3.38Å; A1090-T1094 PolarHBondContact O-N 3.12Å; A1090-T1094 VanDerWaalsContact O-N 3.1Å; A1090-T1094 PolarHBondContact O-OG1 3.48Å |
| 1091 | L | 94.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.5 | -39.2 | 176.5 | -175.7 | 60 | 0 | 0 | 0 | 112.3 | L974 M998 V1087 T1089 I1095 L1107 | L974-L1091 HydrophobicContact CB-CD1 3.97Å; L974-L1091 HydrophobicContact CD1-CD1 3.77Å; L974-L1091 HydrophobicContact CD1-CD2 3.93Å; M998-L1091 HydrophobicContact CE-CD2 3.51Å; V1087-L1091 WeakPolarHBondContact O-CB 3.35Å; V1087-L1091 PolarHBondContact O-N 3.39Å; T1089-L1091 VanDerWaalsContact C-N 3.3Å; T1089-L1091 PolarHBondContact O-N 3.39Å; L1091-I1095 HydrophobicContact CD1-CG1 3.99Å; L1091-I1095 WeakPolarHBondContact O-CB 3.32Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.44Å; L1091-I1095 PolarHBondContact O-N 3.24Å; L1091-I1095 VanDerWaalsContact O-N 3.15Å; L1091-L1107 HydrophobicContact CD1-CD2 3.78Å; L1091-L1107 HydrophobicContact CD2-CD2 3.45Å; L1091-L1107 VanDerWaalsContact CD2-CD2 3.45Å; L1091-L1107 HydrophobicContact CG-CD2 3.6Å |
| 1092 | A | 94.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.8 | -59 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | F1088 T1089 T1094 I1095 E1096 I1108 A1188 | F1088-A1092 VanDerWaalsContact O-CB 3.24Å; F1088-A1092 WeakPolarHBondContact O-CB 3.41Å; F1088-A1092 PolarHBondContact O-N 2.97Å; T1089-A1092 PolarHBondContact O-N 2.98Å; A1092-T1094 VanDerWaalsContact C-N 3.33Å; A1092-T1094 PolarHBondContact O-N 3.41Å; A1092-I1095 PolarHBondContact O-N 2.95Å; A1092-I1095 VanDerWaalsContact O-N 3.08Å; A1092-E1096 WeakPolarHBondContact O-CB 3.25Å; A1092-E1096 VanDerWaalsContact O-CG 3.24Å; A1092-E1096 WeakPolarHBondContact O-CG 3.5Å; A1092-E1096 PolarHBondContact O-N 2.95Å; A1092-I1108 HydrophobicContact CB-CD1 3.92Å; A1092-A1188 HydrophobicContact CB-CB 4.15Å |
| 1093 | L | 94.3 | Very high | 92.2 | Very high | 98 Ų | 98 | 39.7 Ų | 39.7 | 51% | 0.513 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -53.5 | -48.5 | -179 | -65.2 | 171.3 | 0 | 0 | 0 | 112.1 | T1089 I1095 E1096 E1097 | T1089-L1093 HydrophobicContact CG2-CD1 4.28Å; T1089-L1093 WeakPolarHBondContact O-CG 3.25Å; T1089-L1093 PolarHBondContact O-N 3.32Å; L1093-I1095 VanDerWaalsContact C-N 3.27Å; L1093-I1095 PolarHBondContact O-N 3.14Å; L1093-E1096 PolarHBondContact O-N 2.85Å; L1093-E1097 WeakPolarHBondContact O-CG 3.29Å; L1093-E1097 PolarHBondContact O-N 3.19Å; L1093-E1097 VanDerWaalsContact O-N 3.15Å |
| 1094 | T | 92.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -33.8 | -179 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | R975 A1090 A1092 T1098 | R975-T1094 HydrophobicContact CB-CG2 3.91Å; R975-T1094 HydrophobicContact CG-CG2 4.24Å; A1090-T1094 VanDerWaalsContact O-CB 3.32Å; A1090-T1094 WeakPolarHBondContact O-CB 3.38Å; A1090-T1094 PolarHBondContact O-N 3.12Å; A1090-T1094 VanDerWaalsContact O-N 3.1Å; A1090-T1094 PolarHBondContact O-OG1 3.48Å; A1092-T1094 VanDerWaalsContact C-N 3.33Å; A1092-T1094 PolarHBondContact O-N 3.41Å; T1094-T1098 PolarHBondContact O-OG1 3.47Å |
| 1095 | I | 90.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -93.3 | -30.7 | -177.7 | -59.4 | -69.4 | 0 | 0 | 0 | 111.3 | L978 L1091 A1092 L1093 E1097 T1098 H1099 G1100 A1104 L1107 | L978-I1095 HydrophobicContact CD2-CD1 3.74Å; L1091-I1095 HydrophobicContact CD1-CG1 3.99Å; L1091-I1095 WeakPolarHBondContact O-CB 3.32Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.44Å; L1091-I1095 PolarHBondContact O-N 3.24Å; L1091-I1095 VanDerWaalsContact O-N 3.15Å; A1092-I1095 PolarHBondContact O-N 2.95Å; A1092-I1095 VanDerWaalsContact O-N 3.08Å; L1093-I1095 VanDerWaalsContact C-N 3.27Å; L1093-I1095 PolarHBondContact O-N 3.14Å; I1095-E1097 VanDerWaalsContact C-N 3.34Å; I1095-E1097 PolarHBondContact O-N 3.21Å; I1095-T1098 PolarHBondContact O-N 3.37Å; I1095-T1098 PolarHBondContact O-OG1 3.18Å; I1095-H1099 HydrophobicContact CG2-CB 4.26Å; I1095-H1099 PolarHBondContact O-N 3.17Å; I1095-G1100 PolarHBondContact O-N 3.34Å; I1095-A1104 HydrophobicContact CB-CB 4.23Å; I1095-A1104 HydrophobicContact CG2-CB 4.1Å; I1095-L1107 HydrophobicContact CD1-CD1 3.98Å; I1095-L1107 HydrophobicContact CG1-CD1 4.07Å; I1095-L1107 HydrophobicContact CG2-CD1 4.33Å |
| 1096 | E | 92.2 | Very high | 91.9 | Very high | 69 Ų | 69 | 41.8 Ų | 41.8 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 174.3 | -75.8 | -172 | -170.4 | 0 | 0 | 111.6 | A1092 L1093 T1098 G1100 V1101 A1104 | A1092-E1096 WeakPolarHBondContact O-CB 3.25Å; A1092-E1096 VanDerWaalsContact O-CG 3.24Å; A1092-E1096 WeakPolarHBondContact O-CG 3.5Å; A1092-E1096 PolarHBondContact O-N 2.95Å; L1093-E1096 PolarHBondContact O-N 2.85Å; E1096-T1098 PolarHBondContact O-N 2.77Å; E1096-G1100 WeakPolarHBondContact O-CA 3.47Å; E1096-G1100 PolarHBondContact O-N 2.93Å; E1096-G1100 VanDerWaalsContact O-N 3.15Å; E1096-V1101 HydrophobicContact CG-CB 4.29Å; E1096-V1101 HydrophobicContact CG-CG1 4.34Å; E1096-V1101 HydrophobicContact CG-CG2 4.02Å; E1096-V1101 VanDerWaalsContact OE1-CG1 3.29Å; E1096-V1101 WeakPolarHBondContact OE1-CG1 3.2Å; E1096-A1104 HydrophobicContact CG-CB 3.55Å |
| 1097 | E | 87.7 | Confident | 91.8 | Very high | 155 Ų | 155 | 39.5 Ų | 39.5 | 72% | 0.724 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61.5 | -27.1 | 174.9 | -74 | 173.8 | -176.8 | 0 | 0 | 114 | L1093 I1095 | L1093-E1097 WeakPolarHBondContact O-CG 3.29Å; L1093-E1097 PolarHBondContact O-N 3.19Å; L1093-E1097 VanDerWaalsContact O-N 3.15Å; I1095-E1097 VanDerWaalsContact C-N 3.34Å; I1095-E1097 PolarHBondContact O-N 3.21Å |
| 1098 | T | 86.8 | Confident | 91.7 | Very high | 71 Ų | 71 | 39.5 Ų | 39.5 | 44% | 0.436 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -113.9 | -32.5 | -167.7 | 45.9 | 0 | 0 | 0 | 0 | 114.2 | T1094 I1095 E1096 | T1094-T1098 PolarHBondContact O-OG1 3.47Å; I1095-T1098 PolarHBondContact O-N 3.37Å; I1095-T1098 PolarHBondContact O-OG1 3.18Å; E1096-T1098 PolarHBondContact O-N 2.77Å |
| 1099 | H | 87.8 | Confident | 91.6 | Very high | 92 Ų | 92 | 39.6 Ų | 39.6 | 43% | 0.426 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -131.4 | -7.8 | -176.7 | -61.9 | -80.7 | 0 | 0 | 0 | 113.6 | L978 I1095 S1103 | L978-H1099 WeakPolarHBondContact CD2-CD2 3.32Å; L978-H1099 VanDerWaalsContact CD2-NE2 3.31Å; L978-H1099 WeakPolarHBondContact CD2-NE2 3.49Å; L978-H1099 WeakPolarHBondContact CG-NE2 3.32Å; I1095-H1099 HydrophobicContact CG2-CB 4.26Å; I1095-H1099 PolarHBondContact O-N 3.17Å; H1099-S1103 PolarHBondContact O-OG 3.09Å |
| 1100 | G | 89.7 | Confident | 91.6 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 28% | 0.278 | 21% | 0.214 | S | C | . | . | trans | 83.8 | 174 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1095 E1096 Q1102 S1103 A1104 | I1095-G1100 PolarHBondContact O-N 3.34Å; E1096-G1100 WeakPolarHBondContact O-CA 3.47Å; E1096-G1100 PolarHBondContact O-N 2.93Å; E1096-G1100 VanDerWaalsContact O-N 3.15Å; G1100-Q1102 PolarHBondContact O-N 3.37Å; G1100-S1103 PolarHBondContact O-N 2.91Å; G1100-A1104 PolarHBondContact O-N 3.08Å; G1100-A1104 VanDerWaalsContact O-N 3.15Å | ||
| 1101 | V | 91 | Very high | 91.5 | Very high | 47 Ų | 47 | 38.4 Ų | 38.4 | 29% | 0.285 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -73.9 | -29.4 | -160.7 | -167.1 | 0 | 0 | 0 | 0 | 115.1 | E1096 A1105 | E1096-V1101 HydrophobicContact CG-CB 4.29Å; E1096-V1101 HydrophobicContact CG-CG1 4.34Å; E1096-V1101 HydrophobicContact CG-CG2 4.02Å; E1096-V1101 VanDerWaalsContact OE1-CG1 3.29Å; E1096-V1101 WeakPolarHBondContact OE1-CG1 3.2Å; V1101-A1105 PolarHBondContact O-N 2.93Å; V1101-A1105 VanDerWaalsContact O-N 3.09Å |
| 1102 | Q | 89 | Confident | 91.5 | Very high | 108 Ų | 108 | 38.3 Ų | 38.3 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.6 | -45 | 174.7 | -63.2 | -64.6 | -15 | 0 | 0 | 110.4 | G1100 A1104 A1105 H1106 Y1181 | G1100-Q1102 PolarHBondContact O-N 3.37Å; Q1102-A1104 PolarHBondContact O-N 2.96Å; Q1102-A1105 PolarHBondContact O-N 3.18Å; Q1102-H1106 PolarHBondContact O-CD2 2.94Å; Q1102-H1106 PolarHBondContact O-N 2.87Å; Q1102-Y1181 PolarHBondContact NE2-OH 3.49Å |
| 1103 | S | 88.7 | Confident | 91.6 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 12% | 0.119 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 177.9 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | E984 H1099 G1100 A1105 H1106 L1107 | E984-S1103 VanDerWaalsContact CD-CB 3.42Å; E984-S1103 VanDerWaalsContact CD-OG 3.32Å; E984-S1103 WeakPolarHBondContact OE1-CA 3.37Å; E984-S1103 WeakPolarHBondContact OE2-CB 3.09Å; E984-S1103 PolarHBondContact OE2-OG 3.43Å; H1099-S1103 PolarHBondContact O-OG 3.09Å; G1100-S1103 PolarHBondContact O-N 2.91Å; S1103-A1105 PolarHBondContact O-N 2.89Å; S1103-H1106 PolarHBondContact O-N 3.49Å; S1103-L1107 WeakPolarHBondContact O-CB 3.45Å; S1103-L1107 PolarHBondContact O-N 3.31Å |
| 1104 | A | 91.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.3 | -46.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1095 E1096 G1100 Q1102 L1107 I1108 | I1095-A1104 HydrophobicContact CB-CB 4.23Å; I1095-A1104 HydrophobicContact CG2-CB 4.1Å; E1096-A1104 HydrophobicContact CG-CB 3.55Å; G1100-A1104 PolarHBondContact O-N 3.08Å; G1100-A1104 VanDerWaalsContact O-N 3.15Å; Q1102-A1104 PolarHBondContact O-N 2.96Å; A1104-L1107 PolarHBondContact O-N 3.41Å; A1104-I1108 WeakPolarHBondContact O-CG1 3.5Å; A1104-I1108 PolarHBondContact O-N 3.48Å |
| 1105 | A | 92.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1101 Q1102 S1103 L1107 I1108 S1109 Y1181 | V1101-A1105 PolarHBondContact O-N 2.93Å; V1101-A1105 VanDerWaalsContact O-N 3.09Å; Q1102-A1105 PolarHBondContact O-N 3.18Å; S1103-A1105 PolarHBondContact O-N 2.89Å; A1105-L1107 VanDerWaalsContact C-N 3.34Å; A1105-L1107 PolarHBondContact O-N 2.94Å; A1105-I1108 PolarHBondContact O-N 3.43Å; A1105-S1109 WeakPolarHBondContact O-CB 3.35Å; A1105-S1109 PolarHBondContact O-N 2.79Å; A1105-Y1181 HydrophobicContact CB-CD2 4.17Å; A1105-Y1181 HydrophobicContact CB-CE2 3.64Å |
| 1106 | H | 91.3 | Very high | 91.9 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.3 | -38 | 175.3 | -73.4 | -53.9 | 0 | 0 | 0 | 112.8 | E984 Q1102 S1103 S1110 | E984-H1106 IonicContact OE1-CD2 2.92Å; Q1102-H1106 PolarHBondContact O-CD2 2.94Å; Q1102-H1106 PolarHBondContact O-N 2.87Å; S1103-H1106 PolarHBondContact O-N 3.49Å; H1106-S1110 WeakPolarHBondContact O-CB 3.48Å; H1106-S1110 PolarHBondContact O-N 3.43Å; H1106-S1110 PolarHBondContact O-OG 3.43Å |
| 1107 | L | 91.3 | Very high | 92.1 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.1 | -43.8 | 179 | -170.6 | 150.2 | 0 | 0 | 0 | 110.9 | I987 F988 L1091 I1095 S1103 A1104 A1105 S1110 C1111 | I987-L1107 HydrophobicContact CD1-CD1 3.68Å; I987-L1107 HydrophobicContact CG2-CD1 3.99Å; I987-L1107 HydrophobicContact CG2-CG 4.17Å; F988-L1107 HydrophobicContact CD2-CG 4.39Å; F988-L1107 WeakPolarHBondContact CD2-O 3.36Å; F988-L1107 HydrophobicContact CE2-CD2 3.61Å; F988-L1107 HydrophobicContact CE2-CG 3.78Å; F988-L1107 VanDerWaalsContact CE2-O 3.25Å; F988-L1107 WeakPolarHBondContact CE2-O 3.22Å; F988-L1107 HydrophobicContact CZ-CD2 4.2Å; L1091-L1107 HydrophobicContact CD1-CD2 3.78Å; L1091-L1107 HydrophobicContact CD2-CD2 3.45Å; L1091-L1107 VanDerWaalsContact CD2-CD2 3.45Å; L1091-L1107 HydrophobicContact CG-CD2 3.6Å; I1095-L1107 HydrophobicContact CD1-CD1 3.98Å; I1095-L1107 HydrophobicContact CG1-CD1 4.07Å; I1095-L1107 HydrophobicContact CG2-CD1 4.33Å; S1103-L1107 WeakPolarHBondContact O-CB 3.45Å; S1103-L1107 PolarHBondContact O-N 3.31Å; A1104-L1107 PolarHBondContact O-N 3.41Å; A1105-L1107 VanDerWaalsContact C-N 3.34Å; A1105-L1107 PolarHBondContact O-N 2.94Å; L1107-S1110 PolarHBondContact O-N 3.22Å; L1107-C1111 PolarHBondContact O-N 3.16Å |
| 1108 | I | 94.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 174.7 | -67.1 | 171.2 | 0 | 0 | 0 | 111.2 | F1088 A1092 A1104 A1105 S1110 C1111 L1112 L1184 V1187 A1188 | F1088-I1108 HydrophobicContact CB-CD1 4.36Å; F1088-I1108 HydrophobicContact CD1-CG2 4.39Å; F1088-I1108 HydrophobicContact CD2-CG2 4.34Å; F1088-I1108 HydrophobicContact CG-CG2 4.17Å; A1092-I1108 HydrophobicContact CB-CD1 3.92Å; A1104-I1108 WeakPolarHBondContact O-CG1 3.5Å; A1104-I1108 PolarHBondContact O-N 3.48Å; A1105-I1108 PolarHBondContact O-N 3.43Å; I1108-S1110 VanDerWaalsContact C-N 3.33Å; I1108-S1110 PolarHBondContact O-N 3.07Å; I1108-C1111 WeakPolarHBondContact O-CB 3.47Å; I1108-C1111 PolarHBondContact O-N 2.68Å; I1108-L1112 WeakPolarHBondContact O-CB 3.28Å; I1108-L1112 PolarHBondContact O-N 3.28Å; I1108-L1184 HydrophobicContact CG2-CD2 4.32Å; I1108-V1187 HydrophobicContact CG2-CG2 4.24Å; I1108-A1188 HydrophobicContact CD1-CB 3.51Å |
| 1109 | S | 94.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 172.2 | -173.1 | 0 | 0 | 0 | 0 | 112.3 | A1105 C1111 L1112 F1113 A1154 | A1105-S1109 WeakPolarHBondContact O-CB 3.35Å; A1105-S1109 PolarHBondContact O-N 2.79Å; S1109-C1111 VanDerWaalsContact C-N 3.34Å; S1109-C1111 PolarHBondContact O-N 2.92Å; S1109-L1112 PolarHBondContact O-N 3.44Å; S1109-F1113 WeakPolarHBondContact O-CB 3.37Å; S1109-F1113 PolarHBondContact O-N 2.84Å; S1109-A1154 PolarHBondContact OG-O 3.28Å |
| 1110 | S | 93.1 | Very high | 93.3 | Very high | 21 Ų | 21 | 20.6 Ų | 20.6 | 15% | 0.147 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -67.9 | -33 | 177.8 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | H1106 L1107 I1108 L1114 R1115 | H1106-S1110 WeakPolarHBondContact O-CB 3.48Å; H1106-S1110 PolarHBondContact O-N 3.43Å; H1106-S1110 PolarHBondContact O-OG 3.43Å; L1107-S1110 PolarHBondContact O-N 3.22Å; I1108-S1110 VanDerWaalsContact C-N 3.33Å; I1108-S1110 PolarHBondContact O-N 3.07Å; S1110-L1114 VanDerWaalsContact O-CB 3.31Å; S1110-L1114 WeakPolarHBondContact O-CB 3.44Å; S1110-L1114 PolarHBondContact O-N 2.95Å; S1110-R1115 PolarHBondContact O-N 3.05Å |
| 1111 | C | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -64.8 | -54.6 | 169.3 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | F988 M998 F1088 L1107 I1108 S1109 R1115 | F988-C1111 HydrophobicContact CD2-CB 4.21Å; F988-C1111 HydrophobicContact CE1-CB 4.42Å; F988-C1111 HydrophobicContact CE2-CB 3.7Å; F988-C1111 HydrophobicContact CZ-CB 3.82Å; M998-C1111 WeakPolarHBondContact CG-SG 3.27Å; M998-C1111 VanDerWaalsContact SD-SG 3.66Å; F1088-C1111 HydrophobicContact CE1-CB 4.33Å; L1107-C1111 PolarHBondContact O-N 3.16Å; I1108-C1111 WeakPolarHBondContact O-CB 3.47Å; I1108-C1111 PolarHBondContact O-N 2.68Å; S1109-C1111 VanDerWaalsContact C-N 3.34Å; S1109-C1111 PolarHBondContact O-N 2.92Å; C1111-R1115 WeakPolarHBondContact O-CB 3.49Å |
| 1112 | L | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -75.1 | -44.7 | -169.3 | -175.5 | 59.7 | 0 | 0 | 0 | 113.2 | I1002 I1108 S1109 F1116 I1117 F1183 | I1002-L1112 HydrophobicContact CD1-CD1 4.29Å; I1108-L1112 WeakPolarHBondContact O-CB 3.28Å; I1108-L1112 PolarHBondContact O-N 3.28Å; S1109-L1112 PolarHBondContact O-N 3.44Å; L1112-F1116 HydrophobicContact CD1-CD1 4.34Å; L1112-F1116 WeakPolarHBondContact O-CB 3.43Å; L1112-I1117 HydrophobicContact CD1-CD1 3.89Å; L1112-I1117 HydrophobicContact CD1-CG1 4.26Å; L1112-I1117 HydrophobicContact CD2-CD1 4.41Å; L1112-I1117 HydrophobicContact CG-CD1 3.81Å; L1112-I1117 HydrophobicContact CG-CG1 4.46Å; L1112-I1117 WeakPolarHBondContact O-CG1 3.14Å; L1112-I1117 PolarHBondContact O-N 2.78Å; L1112-F1183 HydrophobicContact CD2-CE1 3.79Å; L1112-F1183 HydrophobicContact CD2-CZ 4.07Å |
| 1113 | F | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -89.8 | -53.7 | -176.7 | -67 | -86.4 | 0 | 0 | 0 | 112.3 | W1070 I1073 S1109 R1115 I1117 C1118 P1119 L1150 A1154 M1180 F1183 L1184 | W1070-F1113 HydrophobicContact CZ3-CE1 4.49Å; W1070-F1113 HydrophobicContact CZ3-CZ 4.03Å; I1073-F1113 HydrophobicContact CD1-CE1 4.16Å; I1073-F1113 HydrophobicContact CG2-CE1 4.35Å; I1073-F1113 HydrophobicContact CG2-CZ 4.15Å; S1109-F1113 WeakPolarHBondContact O-CB 3.37Å; S1109-F1113 PolarHBondContact O-N 2.84Å; F1113-R1115 PolarHBondContact O-N 2.86Å; F1113-I1117 HydrophobicContact CD1-CB 4.35Å; F1113-I1117 HydrophobicContact CD1-CD1 4.32Å; F1113-I1117 HydrophobicContact CD1-CG2 4.39Å; F1113-I1117 HydrophobicContact CE1-CD1 4.11Å; F1113-C1118 VanDerWaalsContact O-CB 3.25Å; F1113-C1118 WeakPolarHBondContact O-CB 3.38Å; F1113-C1118 PolarHBondContact O-N 3.44Å; F1113-P1119 VanDerWaalsContact O-CD 3.25Å; F1113-P1119 WeakPolarHBondContact O-CD 3.38Å; F1113-L1150 HydrophobicContact CD1-CD2 4.33Å; F1113-L1150 HydrophobicContact CD1-CG 4.18Å; F1113-L1150 HydrophobicContact CE1-CD1 4.26Å; F1113-L1150 HydrophobicContact CE1-CD2 4.43Å; F1113-L1150 HydrophobicContact CE1-CG 4.31Å; F1113-A1154 HydrophobicContact CB-CB 3.51Å; F1113-A1154 HydrophobicContact CD1-CB 3.89Å; F1113-A1154 HydrophobicContact CD2-CB 3.62Å; F1113-A1154 HydrophobicContact CE2-CB 4.33Å; F1113-A1154 HydrophobicContact CG-CB 3.38Å; F1113-M1180 HydrophobicContact CE1-CE 4.03Å; F1113-M1180 HydrophobicContact CE2-CE 4.01Å; F1113-M1180 HydrophobicContact CE2-SD 3.69Å; F1113-M1180 HydrophobicContact CZ-CE 3.63Å; F1113-M1180 HydrophobicContact CZ-SD 3.82Å; F1113-F1183 HydrophobicContact CE2-CE1 4.09Å; F1113-F1183 HydrophobicContact CZ-CD1 4.49Å; F1113-F1183 AromaticContact CZ-CE1 3.96Å; F1113-F1183 HydrophobicContact CZ-CE1 3.96Å; F1113-L1184 HydrophobicContact CE2-CD2 4.28Å |
| 1114 | L | 94.1 | Very high | 94 | Very high | 46 Ų | 46 | 16.9 Ų | 16.9 | 24% | 0.241 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -71.9 | -29.4 | -172.3 | 176.2 | 68.5 | 0 | 0 | 0 | 113.4 | R989 S1110 P1119 | R989-L1114 HydrophobicContact CG-CD2 3.77Å; S1110-L1114 VanDerWaalsContact O-CB 3.31Å; S1110-L1114 WeakPolarHBondContact O-CB 3.44Å; S1110-L1114 PolarHBondContact O-N 2.95Å; L1114-P1119 WeakPolarHBondContact O-CD 3.4Å; L1114-P1119 WeakPolarHBondContact O-CG 3.44Å |
| 1115 | R | 92.4 | Very high | 93.8 | Very high | 38 Ų | 38 | 19 Ų | 19 | 14% | 0.143 | 10% | 0.104 | C | C | . | . | I | π-helix | trans | -103.1 | -20 | 179.4 | -73.5 | -73.9 | 170.8 | 157.2 | 1.8 | 115.6 | F988 A990 E999 S1110 C1111 F1113 | F988-R1115 HydrophobicContact CB-CG 4.02Å; F988-R1115 HydrophobicContact CD1-CG 4.43Å; F988-R1115 VanDerWaalsContact O-CZ 3.25Å; F988-R1115 PolarHBondContact O-NE 3.33Å; F988-R1115 PolarHBondContact O-NH2 3.46Å; A990-R1115 PolarHBondContact O-NH2 2.72Å; E999-R1115 IonicContact OE2-NH1 2.85Å; E999-R1115 PolarHBondContact OE2-NH1 3.45Å; S1110-R1115 PolarHBondContact O-N 3.05Å; C1111-R1115 WeakPolarHBondContact O-CB 3.49Å; F1113-R1115 PolarHBondContact O-N 2.86Å |
| 1116 | F | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -122.8 | -70.2 | -173.8 | -168.8 | -124 | 0 | 0 | 0 | 113.5 | I1002 K1003 G1006 L1010 L1112 A1120 F1127 | I1002-F1116 HydrophobicContact CD1-CB 3.81Å; I1002-F1116 HydrophobicContact CD1-CD1 3.86Å; I1002-F1116 HydrophobicContact CD1-CG 3.87Å; I1002-F1116 HydrophobicContact CG1-CB 4.27Å; I1002-F1116 HydrophobicContact CG1-CD1 3.86Å; I1002-F1116 HydrophobicContact CG1-CD2 4.14Å; I1002-F1116 HydrophobicContact CG1-CE1 4.15Å; I1002-F1116 HydrophobicContact CG1-CE2 4.43Å; I1002-F1116 HydrophobicContact CG1-CG 3.85Å; I1002-F1116 HydrophobicContact CG1-CZ 4.43Å; I1002-F1116 HydrophobicContact CG2-CB 4.19Å; I1002-F1116 HydrophobicContact CG2-CD2 3.89Å; I1002-F1116 HydrophobicContact CG2-CG 4.14Å; I1002-F1116 WeakPolarHBondContact O-CE2 3.32Å; K1003-F1116 HydrophobicContact CG-CD2 4.41Å; K1003-F1116 HydrophobicContact CG-CE2 4.26Å; G1006-F1116 WeakPolarHBondContact O-CZ 3.25Å; L1010-F1116 HydrophobicContact CB-CE1 3.98Å; L1010-F1116 HydrophobicContact CB-CZ 3.71Å; L1010-F1116 HydrophobicContact CD1-CD1 4.2Å; L1010-F1116 HydrophobicContact CD1-CE1 3.88Å; L1010-F1116 HydrophobicContact CD1-CZ 4.1Å; L1010-F1116 HydrophobicContact CD2-CE1 4.45Å; L1010-F1116 HydrophobicContact CD2-CE2 3.89Å; L1010-F1116 HydrophobicContact CD2-CZ 3.82Å; L1010-F1116 HydrophobicContact CG-CE1 4.33Å; L1010-F1116 HydrophobicContact CG-CZ 4.11Å; L1112-F1116 HydrophobicContact CD1-CD1 4.34Å; L1112-F1116 WeakPolarHBondContact O-CB 3.43Å; F1116-A1120 VanDerWaalsContact O-CB 3.29Å; F1116-A1120 WeakPolarHBondContact O-CB 3.46Å; F1116-A1120 PolarHBondContact O-N 3.46Å; F1116-A1120 VanDerWaalsContact O-N 3.1Å; F1116-F1127 HydrophobicContact CD2-CD1 4.48Å; F1116-F1127 HydrophobicContact CD2-CE1 4.05Å; F1116-F1127 HydrophobicContact CE2-CD1 4.43Å; F1116-F1127 HydrophobicContact CE2-CE1 4.4Å |
| 1117 | I | 97.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -66.4 | -53.4 | -172.2 | -64.8 | 176.7 | 0 | 0 | 0 | 112.7 | L1010 L1014 I1073 L1112 F1113 A1120 I1121 L1150 | L1010-I1117 HydrophobicContact CD1-CG1 4.42Å; L1014-I1117 HydrophobicContact CD1-CG2 4.42Å; I1073-I1117 HydrophobicContact CD1-CD1 4.24Å; I1073-I1117 HydrophobicContact CD1-CG2 3.9Å; I1073-I1117 HydrophobicContact CG1-CD1 4.4Å; I1073-I1117 HydrophobicContact CG2-CD1 4.32Å; L1112-I1117 HydrophobicContact CD1-CD1 3.89Å; L1112-I1117 HydrophobicContact CD1-CG1 4.26Å; L1112-I1117 HydrophobicContact CD2-CD1 4.41Å; L1112-I1117 HydrophobicContact CG-CD1 3.81Å; L1112-I1117 HydrophobicContact CG-CG1 4.46Å; L1112-I1117 WeakPolarHBondContact O-CG1 3.14Å; L1112-I1117 PolarHBondContact O-N 2.78Å; F1113-I1117 HydrophobicContact CD1-CB 4.35Å; F1113-I1117 HydrophobicContact CD1-CD1 4.32Å; F1113-I1117 HydrophobicContact CD1-CG2 4.39Å; F1113-I1117 HydrophobicContact CE1-CD1 4.11Å; I1117-A1120 WeakPolarHBondContact O-CB 3.23Å; I1117-A1120 PolarHBondContact O-N 2.82Å; I1117-I1121 HydrophobicContact CG2-CD1 3.95Å; I1117-I1121 WeakPolarHBondContact O-CG1 3.48Å; I1117-I1121 PolarHBondContact O-N 2.72Å; I1117-L1150 HydrophobicContact CG2-CD2 3.98Å |
| 1118 | C | 97.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 6% | 0.061 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.7 | -40.1 | -176.7 | -66.5 | 0 | 0 | 0 | 0 | 112.9 | F1113 A1120 I1121 H1122 A1147 Q1151 | F1113-C1118 VanDerWaalsContact O-CB 3.25Å; F1113-C1118 WeakPolarHBondContact O-CB 3.38Å; F1113-C1118 PolarHBondContact O-N 3.44Å; C1118-A1120 VanDerWaalsContact C-N 3.3Å; C1118-A1120 PolarHBondContact O-N 2.91Å; C1118-I1121 PolarHBondContact O-N 3.5Å; C1118-H1122 WeakPolarHBondContact O-CB 3.47Å; C1118-H1122 PolarHBondContact O-N 3.21Å; C1118-A1147 HydrophobicContact CB-CB 4.34Å; C1118-Q1151 PolarHBondContact SG-OE1 3.05Å |
| 1119 | P | 95.3 | Very high | 93.2 | Very high | 39 Ų | 39 | 24.4 Ų | 24.4 | 25% | 0.253 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -57.1 | -38.9 | 168.3 | -30.5 | 39.1 | 0 | 0 | 0 | 113.8 | F1113 L1114 H1122 G1123 F1127 | F1113-P1119 VanDerWaalsContact O-CD 3.25Å; F1113-P1119 WeakPolarHBondContact O-CD 3.38Å; L1114-P1119 WeakPolarHBondContact O-CD 3.4Å; L1114-P1119 WeakPolarHBondContact O-CG 3.44Å; P1119-H1122 PolarHBondContact O-N 3.36Å; P1119-G1123 PolarHBondContact O-N 2.86Å; P1119-F1127 HydrophobicContact CB-CE2 3.87Å; P1119-F1127 HydrophobicContact CB-CZ 3.72Å |
| 1120 | A | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.1 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1010 L1014 F1116 I1117 C1118 G1123 P1124 F1127 L1129 | L1010-A1120 HydrophobicContact CD1-CB 3.9Å; L1010-A1120 HydrophobicContact CD2-CB 3.73Å; L1010-A1120 HydrophobicContact CG-CB 4.22Å; L1014-A1120 HydrophobicContact CD1-CB 4.12Å; F1116-A1120 VanDerWaalsContact O-CB 3.29Å; F1116-A1120 WeakPolarHBondContact O-CB 3.46Å; F1116-A1120 PolarHBondContact O-N 3.46Å; F1116-A1120 VanDerWaalsContact O-N 3.1Å; I1117-A1120 WeakPolarHBondContact O-CB 3.23Å; I1117-A1120 PolarHBondContact O-N 2.82Å; C1118-A1120 VanDerWaalsContact C-N 3.3Å; C1118-A1120 PolarHBondContact O-N 2.91Å; A1120-G1123 CarbonylContact O-C 3.59Å; A1120-P1124 WeakPolarHBondContact O-CA 3.42Å; A1120-F1127 VanDerWaalsContact CA-CD2 3.45Å; A1120-F1127 HydrophobicContact CB-CB 3.96Å; A1120-F1127 HydrophobicContact CB-CD1 3.83Å; A1120-F1127 HydrophobicContact CB-CD2 3.84Å; A1120-F1127 HydrophobicContact CB-CE1 4.25Å; A1120-F1127 HydrophobicContact CB-CE2 4.27Å; A1120-F1127 HydrophobicContact CB-CG 3.6Å; A1120-F1127 HydrophobicContact CB-CZ 4.45Å; A1120-L1129 HydrophobicContact CB-CD1 3.95Å |
| 1121 | I | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.1 | -44.8 | 173 | -63.8 | 167.7 | 0 | 0 | 0 | 110.3 | L1014 I1069 I1117 C1118 L1143 I1146 A1147 L1150 | L1014-I1121 HydrophobicContact CD1-CD1 4.49Å; L1014-I1121 HydrophobicContact CD1-CG1 3.77Å; L1014-I1121 HydrophobicContact CD2-CD1 4.15Å; L1014-I1121 HydrophobicContact CD2-CG1 4.05Å; I1069-I1121 HydrophobicContact CG2-CD1 4.09Å; I1117-I1121 HydrophobicContact CG2-CD1 3.95Å; I1117-I1121 WeakPolarHBondContact O-CG1 3.48Å; I1117-I1121 PolarHBondContact O-N 2.72Å; C1118-I1121 PolarHBondContact O-N 3.5Å; I1121-L1143 HydrophobicContact CG2-CD2 4.21Å; I1121-L1143 WeakPolarHBondContact O-CB 3.36Å; I1121-I1146 HydrophobicContact CD1-CG2 4.49Å; I1121-I1146 HydrophobicContact CG2-CB 4.28Å; I1121-I1146 HydrophobicContact CG2-CG2 3.88Å; I1121-A1147 HydrophobicContact CB-CB 4.16Å; I1121-A1147 HydrophobicContact CG2-CB 3.98Å; I1121-L1150 HydrophobicContact CD1-CD2 3.64Å |
| 1122 | H | 92.8 | Very high | 91.5 | Very high | 101 Ų | 101 | 32.9 Ų | 32.9 | 47% | 0.468 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.1 | -39.1 | -178.4 | 179.4 | 59.8 | 0 | 0 | 0 | 113.2 | C1118 P1119 T1144 A1147 | C1118-H1122 WeakPolarHBondContact O-CB 3.47Å; C1118-H1122 PolarHBondContact O-N 3.21Å; P1119-H1122 PolarHBondContact O-N 3.36Å; H1122-T1144 PolarHBondContact CE1-OG1 2.75Å; H1122-T1144 VanDerWaalsContact CE1-OG1 3.27Å; H1122-T1144 PolarHBondContact ND1-OG1 2.95Å; H1122-A1147 HydrophobicContact CB-CB 4.38Å |
| 1123 | G | 91.2 | Very high | 90.7 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 17% | 0.165 | 23% | 0.226 | C | C | . | . | trans | -128.4 | 66.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1119 A1120 V1125 L1126 | P1119-G1123 PolarHBondContact O-N 2.86Å; A1120-G1123 CarbonylContact O-C 3.59Å; G1123-V1125 PolarHBondContact O-N 3.07Å; G1123-L1126 WeakPolarHBondContact O-CB 3.46Å; G1123-L1126 PolarHBondContact O-N 3.48Å | ||
| 1124 | P | 92.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -61.4 | -25.3 | -168.2 | 23.6 | -35.2 | 0 | 0 | 0 | 114.7 | I1018 A1120 L1126 F1127 G1128 L1129 A1130 L1143 | I1018-P1124 HydrophobicContact CG2-CB 3.87Å; I1018-P1124 HydrophobicContact CG2-CG 4.33Å; A1120-P1124 WeakPolarHBondContact O-CA 3.42Å; P1124-L1126 VanDerWaalsContact C-N 3.35Å; P1124-F1127 PolarHBondContact O-N 2.95Å; P1124-G1128 PolarHBondContact O-N 3.19Å; P1124-L1129 HydrophobicContact CB-CB 3.83Å; P1124-L1129 WeakPolarHBondContact O-CA 3.18Å; P1124-L1129 WeakPolarHBondContact O-CB 3.43Å; P1124-L1129 PolarHBondContact O-N 3.41Å; P1124-A1130 HydrophobicContact CB-CB 3.93Å; P1124-A1130 HydrophobicContact CG-CB 4.07Å; P1124-A1130 PolarHBondContact O-N 3.33Å; P1124-L1143 HydrophobicContact CG-CD1 3.98Å |
| 1125 | V | 88.3 | Confident | 88.9 | Confident | 47 Ų | 47 | 46 Ų | 46 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -65.3 | -38 | 175.7 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | G1123 F1127 G1128 A1130 S1132 I1133 | G1123-V1125 PolarHBondContact O-N 3.07Å; V1125-F1127 PolarHBondContact O-N 3.33Å; V1125-G1128 PolarHBondContact O-N 2.87Å; V1125-A1130 HydrophobicContact CG2-CB 4.12Å; V1125-S1132 WeakPolarHBondContact CG2-O 3.49Å; V1125-I1133 HydrophobicContact CG2-CG1 4.1Å |
| 1126 | L | 86.2 | Confident | 88.4 | Confident | 144 Ų | 144 | 47.6 Ų | 47.6 | 75% | 0.754 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -70.9 | -10.9 | -177.3 | -58.7 | 176 | 0 | 0 | 0 | 113 | G1123 P1124 | G1123-L1126 WeakPolarHBondContact O-CB 3.46Å; G1123-L1126 PolarHBondContact O-N 3.48Å; P1124-L1126 VanDerWaalsContact C-N 3.35Å |
| 1127 | F | 91.5 | Very high | 87.9 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 9% | 0.088 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -120.7 | 14.6 | -180 | -68.4 | -98.9 | 0 | 0 | 0 | 111.8 | K1003 L1010 F1116 P1119 A1120 P1124 V1125 L1129 | K1003-F1127 HydrophobicContact CG-CE1 4.5Å; L1010-F1127 HydrophobicContact CD2-CB 3.87Å; L1010-F1127 HydrophobicContact CD2-CD1 3.66Å; L1010-F1127 HydrophobicContact CD2-CG 4.13Å; F1116-F1127 HydrophobicContact CD2-CD1 4.48Å; F1116-F1127 HydrophobicContact CD2-CE1 4.05Å; F1116-F1127 HydrophobicContact CE2-CD1 4.43Å; F1116-F1127 HydrophobicContact CE2-CE1 4.4Å; P1119-F1127 HydrophobicContact CB-CE2 3.87Å; P1119-F1127 HydrophobicContact CB-CZ 3.72Å; A1120-F1127 VanDerWaalsContact CA-CD2 3.45Å; A1120-F1127 HydrophobicContact CB-CB 3.96Å; A1120-F1127 HydrophobicContact CB-CD1 3.83Å; A1120-F1127 HydrophobicContact CB-CD2 3.84Å; A1120-F1127 HydrophobicContact CB-CE1 4.25Å; A1120-F1127 HydrophobicContact CB-CE2 4.27Å; A1120-F1127 HydrophobicContact CB-CG 3.6Å; A1120-F1127 HydrophobicContact CB-CZ 4.45Å; P1124-F1127 PolarHBondContact O-N 2.95Å; V1125-F1127 PolarHBondContact O-N 3.33Å; F1127-L1129 HydrophobicContact CB-CD1 4.47Å; F1127-L1129 HydrophobicContact CB-CG 4.32Å; F1127-L1129 PolarHBondContact O-N 3.43Å; F1127-L1129 VanDerWaalsContact O-N 3.17Å |
| 1128 | G | 87.5 | Confident | 87.6 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 23.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1011 P1124 V1125 | R1011-G1128 PolarHBondContact NE-O 3.1Å; R1011-G1128 VanDerWaalsContact NE-O 3.12Å; R1011-G1128 PolarHBondContact NH2-O 2.92Å; P1124-G1128 PolarHBondContact O-N 3.19Å; V1125-G1128 PolarHBondContact O-N 2.87Å |
| 1129 | L | 91 | Very high | 87.3 | Confident | 13 Ų | 13 | 59.7 Ų | 59.7 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -90.6 | -16.4 | 175.1 | -60.4 | 176.6 | 0 | 0 | 0 | 112.7 | L1010 R1011 L1014 I1018 A1120 P1124 F1127 | L1010-L1129 HydrophobicContact CD2-CD1 4.46Å; L1010-L1129 HydrophobicContact CG-CD1 4.38Å; R1011-L1129 HydrophobicContact CB-CD2 4.4Å; R1011-L1129 HydrophobicContact CG-CD2 3.81Å; L1014-L1129 HydrophobicContact CB-CD1 4.01Å; L1014-L1129 HydrophobicContact CD1-CD1 3.97Å; I1018-L1129 HydrophobicContact CG1-CD1 4.41Å; I1018-L1129 HydrophobicContact CG2-CB 4.46Å; A1120-L1129 HydrophobicContact CB-CD1 3.95Å; P1124-L1129 HydrophobicContact CB-CB 3.83Å; P1124-L1129 WeakPolarHBondContact O-CA 3.18Å; P1124-L1129 WeakPolarHBondContact O-CB 3.43Å; P1124-L1129 PolarHBondContact O-N 3.41Å; F1127-L1129 HydrophobicContact CB-CD1 4.47Å; F1127-L1129 HydrophobicContact CB-CG 4.32Å; F1127-L1129 PolarHBondContact O-N 3.43Å; F1127-L1129 VanDerWaalsContact O-N 3.17Å |
| 1130 | A | 86.6 | Confident | 87.1 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | trans | -140 | 144.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1022 P1124 V1125 | L1022-A1130 HydrophobicContact CD1-CB 3.98Å; P1124-A1130 HydrophobicContact CB-CB 3.93Å; P1124-A1130 HydrophobicContact CG-CB 4.07Å; P1124-A1130 PolarHBondContact O-N 3.33Å; V1125-A1130 HydrophobicContact CG2-CB 4.12Å | ||
| 1131 | S | 80.3 | Confident | 87 | Confident | 119 Ų | 119 | 62.4 Ų | 62.4 | 83% | 0.832 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -78.3 | -19.7 | -177.6 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1132 | S | 78.1 | Confident | 86.9 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -154.6 | 159.3 | 179.2 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | V1125 | V1125-S1132 WeakPolarHBondContact CG2-O 3.49Š|
| 1133 | I | 79.3 | Confident | 87 | Confident | 126 Ų | 126 | 58 Ų | 58 | 65% | 0.646 | 32% | 0.319 | S | S | * | . | trans | -63.5 | 129.2 | 177.1 | -60.2 | 171 | 0 | 0 | 0 | 107.7 | V1125 E1135 | V1125-I1133 HydrophobicContact CG2-CG1 4.1Å; I1133-E1135 PolarHBondContact O-N 3.17Å | ||
| 1134 | P | 77.4 | Confident | 87.2 | Confident | 22 Ų | 22 | 59 Ų | 59 | 14% | 0.143 | 32% | 0.322 | C | S | . | . | trans | -54.8 | 113.7 | 179.4 | -26.5 | 34.4 | 0 | 0 | 0 | 111.5 | L1022 N1136 I1139 | L1022-P1134 HydrophobicContact CD2-CB 4.28Å; L1022-P1134 HydrophobicContact CD2-CG 3.73Å; P1134-N1136 PolarHBondContact O-N 3.24Å; P1134-I1139 HydrophobicContact CB-CB 4.25Å; P1134-I1139 HydrophobicContact CB-CG2 4.28Å | ||
| 1135 | E | 75.2 | Confident | 87.4 | Confident | 173 Ų | 173 | 58.9 Ų | 58.9 | 81% | 0.808 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -62.8 | -24.9 | -179.8 | -60.2 | -169 | 156.4 | 0 | 0 | 111.9 | I1133 | I1133-E1135 PolarHBondContact O-N 3.17Š|
| 1136 | N | 82 | Confident | 87.8 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 38% | 0.38 | 31% | 0.307 | S | S | . | . | trans | -87.4 | 108.2 | 175.6 | -173.3 | -4.6 | 0 | 0 | 0 | 111.3 | P1134 R1138 I1139 S1140 | P1134-N1136 PolarHBondContact O-N 3.24Å; N1136-R1138 PolarHBondContact O-N 3.39Å; N1136-R1138 WeakPolarHBondContact OD1-CB 3.44Å; N1136-R1138 PolarHBondContact OD1-N 3.18Å; N1136-I1139 HydrophobicContact CB-CD1 3.99Å; N1136-I1139 HydrophobicContact CB-CG1 4.05Å; N1136-I1139 PolarHBondContact O-N 2.94Å; N1136-S1140 PolarHBondContact O-N 2.93Å | ||
| 1137 | N | 85.8 | Confident | 88.4 | Confident | 138 Ų | 138 | 50.2 Ų | 50.2 | 74% | 0.738 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -51.1 | -29.3 | 174.1 | -70.4 | -28.8 | 0 | 0 | 0 | 113.8 | R1141 | N1137-R1141 WeakPolarHBondContact O-CB 3.34Å; N1137-R1141 PolarHBondContact O-N 3.05Å |
| 1138 | R | 89.5 | Confident | 88.6 | Confident | 112 Ų | 112 | 51.6 Ų | 51.6 | 42% | 0.423 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.2 | -172.3 | -170.3 | -66.6 | 167.5 | -3.6 | 111.8 | G1025 D1026 D1027 N1136 R1141 N1142 | G1025-R1138 PolarHBondContact O-NH1 3.18Å; D1026-R1138 WeakPolarHBondContact O-CD 3.36Å; D1027-R1138 HydrophobicContact CB-CG 4.47Å; N1136-R1138 PolarHBondContact O-N 3.39Å; N1136-R1138 WeakPolarHBondContact OD1-CB 3.44Å; N1136-R1138 PolarHBondContact OD1-N 3.18Å; R1138-R1141 WeakPolarHBondContact O-CB 3.4Å; R1138-R1141 PolarHBondContact O-N 3.24Å; R1138-R1141 VanDerWaalsContact O-N 3.17Å; R1138-N1142 VanDerWaalsContact O-CG 3.28Å; R1138-N1142 PolarHBondContact O-N 3.34Å; R1138-N1142 PolarHBondContact O-OD1 2.88Å |
| 1139 | I | 91.4 | Very high | 89 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68 | -43 | -178.2 | -58.3 | 177 | 0 | 0 | 0 | 110.1 | L1022 P1134 N1136 R1141 N1142 L1143 | L1022-I1139 HydrophobicContact CD2-CG2 4.03Å; P1134-I1139 HydrophobicContact CB-CB 4.25Å; P1134-I1139 HydrophobicContact CB-CG2 4.28Å; N1136-I1139 HydrophobicContact CB-CD1 3.99Å; N1136-I1139 HydrophobicContact CB-CG1 4.05Å; N1136-I1139 PolarHBondContact O-N 2.94Å; I1139-R1141 VanDerWaalsContact C-N 3.27Å; I1139-R1141 PolarHBondContact O-N 2.67Å; I1139-N1142 WeakPolarHBondContact O-CB 3.42Å; I1139-N1142 PolarHBondContact O-N 2.87Å; I1139-L1143 HydrophobicContact CG2-CD1 4.36Å; I1139-L1143 WeakPolarHBondContact O-CG 3.34Å; I1139-L1143 PolarHBondContact O-N 3.31Å |
| 1140 | S | 91.1 | Very high | 89.3 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 172 | 178.4 | 0 | 0 | 0 | 0 | 112.3 | N1136 T1144 | N1136-S1140 PolarHBondContact O-N 2.93Å; S1140-T1144 WeakPolarHBondContact O-CB 3.31Å; S1140-T1144 PolarHBondContact O-N 3.45Å; S1140-T1144 VanDerWaalsContact O-N 3.07Å; S1140-T1144 PolarHBondContact O-OG1 3.14Å |
| 1141 | R | 93.2 | Very high | 89.8 | Confident | 48 Ų | 48 | 51 Ų | 51 | 18% | 0.181 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67 | -44.8 | 174.2 | 178.2 | 55.2 | 174.2 | 154.5 | 4 | 112.5 | E1029 N1137 R1138 I1139 L1143 T1144 L1145 | E1029-R1141 IonicContact OE1-CZ 2.73Å; E1029-R1141 IonicContact OE1-NE 3.07Å; E1029-R1141 IonicContact OE1-NH2 2.74Å; E1029-R1141 PolarHBondContact OE1-NH2 2.74Å; E1029-R1141 IonicContact OE2-CZ 2.74Å; E1029-R1141 IonicContact OE2-NE 2.73Å; E1029-R1141 PolarHBondContact OE2-NE 3.03Å; E1029-R1141 IonicContact OE2-NH2 3.07Å; E1029-R1141 PolarHBondContact OE2-NH2 3.06Å; E1029-R1141 VanDerWaalsContact OE2-NH2 3.14Å; N1137-R1141 WeakPolarHBondContact O-CB 3.34Å; N1137-R1141 PolarHBondContact O-N 3.05Å; R1138-R1141 WeakPolarHBondContact O-CB 3.4Å; R1138-R1141 PolarHBondContact O-N 3.24Å; R1138-R1141 VanDerWaalsContact O-N 3.17Å; I1139-R1141 VanDerWaalsContact C-N 3.27Å; I1139-R1141 PolarHBondContact O-N 2.67Å; R1141-L1143 PolarHBondContact O-N 3.27Å; R1141-T1144 WeakPolarHBondContact O-CB 2.99Å; R1141-T1144 PolarHBondContact O-N 3.37Å; R1141-L1145 HydrophobicContact CG-CD1 4.46Å; R1141-L1145 WeakPolarHBondContact O-CG 3.48Å; R1141-L1145 PolarHBondContact O-N 2.71Å |
| 1142 | N | 94.9 | Very high | 90.5 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.3 | -48.7 | 176.1 | -73 | 0.7 | 0 | 0 | 0 | 111.7 | D1026 F1028 R1138 I1139 T1144 L1145 I1146 | D1026-N1142 PolarHBondContact O-ND2 2.68Å; F1028-N1142 HydrophobicContact CB-CB 4.38Å; F1028-N1142 WeakPolarHBondContact CB-OD1 3.43Å; F1028-N1142 HydrophobicContact CD2-CB 3.43Å; F1028-N1142 VanDerWaalsContact CD2-CB 3.43Å; F1028-N1142 VanDerWaalsContact CD2-CG 3.49Å; F1028-N1142 HydrophobicContact CE2-CB 3.85Å; F1028-N1142 HydrophobicContact CG-CB 4.11Å; F1028-N1142 PolarHBondContact N-OD1 3.31Å; R1138-N1142 VanDerWaalsContact O-CG 3.28Å; R1138-N1142 PolarHBondContact O-N 3.34Å; R1138-N1142 PolarHBondContact O-OD1 2.88Å; I1139-N1142 WeakPolarHBondContact O-CB 3.42Å; I1139-N1142 PolarHBondContact O-N 2.87Å; N1142-T1144 VanDerWaalsContact C-N 3.3Å; N1142-T1144 PolarHBondContact O-N 3.21Å; N1142-L1145 WeakPolarHBondContact O-CB 3.22Å; N1142-L1145 PolarHBondContact O-N 3.36Å; N1142-L1145 VanDerWaalsContact O-N 3.09Å; N1142-I1146 WeakPolarHBondContact O-CG1 3.28Å; N1142-I1146 PolarHBondContact O-N 3.44Å |
| 1143 | L | 95.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59 | -41.2 | 175.8 | -71.3 | 173.4 | 0 | 0 | 0 | 112 | I1018 L1021 I1121 P1124 I1139 R1141 L1145 I1146 A1147 | I1018-L1143 HydrophobicContact CD1-CD2 3.55Å; L1021-L1143 HydrophobicContact CD1-CD2 4Å; I1121-L1143 HydrophobicContact CG2-CD2 4.21Å; I1121-L1143 WeakPolarHBondContact O-CB 3.36Å; P1124-L1143 HydrophobicContact CG-CD1 3.98Å; I1139-L1143 HydrophobicContact CG2-CD1 4.36Å; I1139-L1143 WeakPolarHBondContact O-CG 3.34Å; I1139-L1143 PolarHBondContact O-N 3.31Å; R1141-L1143 PolarHBondContact O-N 3.27Å; L1143-L1145 VanDerWaalsContact C-N 3.33Å; L1143-L1145 PolarHBondContact O-N 3.17Å; L1143-I1146 PolarHBondContact O-N 3.07Å; L1143-A1147 WeakPolarHBondContact O-CB 3.47Å; L1143-A1147 PolarHBondContact O-N 3.28Å |
| 1144 | T | 95.4 | Very high | 92.1 | Very high | 39 Ų | 39 | 37.3 Ų | 37.3 | 24% | 0.239 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -37.2 | 174.7 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | H1122 S1140 R1141 N1142 K1148 | H1122-T1144 PolarHBondContact CE1-OG1 2.75Å; H1122-T1144 VanDerWaalsContact CE1-OG1 3.27Å; H1122-T1144 PolarHBondContact ND1-OG1 2.95Å; S1140-T1144 WeakPolarHBondContact O-CB 3.31Å; S1140-T1144 PolarHBondContact O-N 3.45Å; S1140-T1144 VanDerWaalsContact O-N 3.07Å; S1140-T1144 PolarHBondContact O-OG1 3.14Å; R1141-T1144 WeakPolarHBondContact O-CB 2.99Å; R1141-T1144 PolarHBondContact O-N 3.37Å; N1142-T1144 VanDerWaalsContact C-N 3.3Å; N1142-T1144 PolarHBondContact O-N 3.21Å; T1144-K1148 VanDerWaalsContact O-CB 3.29Å; T1144-K1148 WeakPolarHBondContact O-CB 3.31Å; T1144-K1148 PolarHBondContact O-N 2.98Å |
| 1145 | L | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.8 | -45.6 | 176.6 | -73 | 177.2 | 0 | 0 | 0 | 111.7 | F1028 L1062 R1141 N1142 L1143 K1148 V1149 M1166 | F1028-L1145 HydrophobicContact CB-CD1 4.34Å; F1028-L1145 WeakPolarHBondContact O-CD1 3.45Å; L1062-L1145 HydrophobicContact CD1-CB 3.93Å; L1062-L1145 HydrophobicContact CD2-CB 4.37Å; R1141-L1145 HydrophobicContact CG-CD1 4.46Å; R1141-L1145 WeakPolarHBondContact O-CG 3.48Å; R1141-L1145 PolarHBondContact O-N 2.71Å; N1142-L1145 WeakPolarHBondContact O-CB 3.22Å; N1142-L1145 PolarHBondContact O-N 3.36Å; N1142-L1145 VanDerWaalsContact O-N 3.09Å; L1143-L1145 VanDerWaalsContact C-N 3.33Å; L1143-L1145 PolarHBondContact O-N 3.17Å; L1145-K1148 PolarHBondContact O-N 2.95Å; L1145-V1149 WeakPolarHBondContact O-CG2 3.37Å; L1145-V1149 PolarHBondContact O-N 2.99Å; L1145-V1149 VanDerWaalsContact O-N 3.14Å; L1145-M1166 HydrophobicContact CD2-CE 3.52Å; L1145-M1166 HydrophobicContact CD2-SD 4.44Å |
| 1146 | I | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.9 | -54.3 | 174.8 | -70.9 | 170.9 | 0 | 0 | 0 | 110.8 | L1021 F1028 L1062 N1065 V1066 I1069 I1121 N1142 L1143 K1148 V1149 L1150 | L1021-I1146 HydrophobicContact CD1-CD1 3.58Å; L1021-I1146 HydrophobicContact CD2-CD1 4.31Å; F1028-I1146 HydrophobicContact CD2-CD1 4.2Å; F1028-I1146 HydrophobicContact CD2-CG1 4.36Å; F1028-I1146 HydrophobicContact CE2-CD1 3.84Å; F1028-I1146 HydrophobicContact CE2-CG1 4.45Å; L1062-I1146 HydrophobicContact CD1-CG1 3.82Å; N1065-I1146 HydrophobicContact CB-CD1 4.01Å; V1066-I1146 HydrophobicContact CG2-CB 4.3Å; V1066-I1146 HydrophobicContact CG2-CG1 4.15Å; V1066-I1146 HydrophobicContact CG2-CG2 4.21Å; I1069-I1146 HydrophobicContact CD1-CD1 4.34Å; I1069-I1146 HydrophobicContact CD1-CG2 3.45Å; I1069-I1146 VanDerWaalsContact CD1-CG2 3.45Å; I1121-I1146 HydrophobicContact CD1-CG2 4.49Å; I1121-I1146 HydrophobicContact CG2-CB 4.28Å; I1121-I1146 HydrophobicContact CG2-CG2 3.88Å; N1142-I1146 WeakPolarHBondContact O-CG1 3.28Å; N1142-I1146 PolarHBondContact O-N 3.44Å; L1143-I1146 PolarHBondContact O-N 3.07Å; I1146-K1148 PolarHBondContact O-N 3.25Å; I1146-V1149 PolarHBondContact O-N 3.15Å; I1146-L1150 PolarHBondContact O-N 3.29Å; I1146-L1150 VanDerWaalsContact O-N 3.07Å |
| 1147 | A | 97.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 7% | 0.074 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.6 | -34.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | C1118 I1121 H1122 L1143 Q1151 | C1118-A1147 HydrophobicContact CB-CB 4.34Å; I1121-A1147 HydrophobicContact CB-CB 4.16Å; I1121-A1147 HydrophobicContact CG2-CB 3.98Å; H1122-A1147 HydrophobicContact CB-CB 4.38Å; L1143-A1147 WeakPolarHBondContact O-CB 3.47Å; L1143-A1147 PolarHBondContact O-N 3.28Å; A1147-Q1151 WeakPolarHBondContact O-CB 3.23Å; A1147-Q1151 PolarHBondContact O-N 2.62Å |
| 1148 | K | 96.2 | Very high | 94.5 | Very high | 50 Ų | 50 | 28 Ų | 28 | 22% | 0.217 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.4 | -42.5 | 180 | -172 | -173.8 | -178.5 | -158 | 0 | 113.5 | T1144 L1145 I1146 Q1151 N1152 F1159 E1163 | T1144-K1148 VanDerWaalsContact O-CB 3.29Å; T1144-K1148 WeakPolarHBondContact O-CB 3.31Å; T1144-K1148 PolarHBondContact O-N 2.98Å; L1145-K1148 PolarHBondContact O-N 2.95Å; I1146-K1148 PolarHBondContact O-N 3.25Å; K1148-Q1151 PolarHBondContact O-N 3.05Å; K1148-N1152 PolarHBondContact O-N 2.97Å; K1148-N1152 VanDerWaalsContact O-N 3.08Å; K1148-F1159 HydrophobicContact CG-CE1 4.5Å; K1148-E1163 WeakPolarHBondContact CE-OE1 3.32Å; K1148-E1163 WeakPolarHBondContact CE-OE2 3.47Å; K1148-E1163 IonicContact NZ-OE1 3.47Å; K1148-E1163 PolarHBondContact NZ-OE1 3.39Å; K1148-E1163 IonicContact NZ-OE2 2.95Å; K1148-E1163 PolarHBondContact NZ-OE2 2.6Å |
| 1149 | V | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 176.5 | -176.4 | 0 | 0 | 0 | 0 | 110 | L1062 V1066 L1145 I1146 Q1151 N1152 L1153 F1159 L1169 F1172 I1173 | L1062-V1149 HydrophobicContact CD2-CG2 4.32Å; V1066-V1149 HydrophobicContact CG1-CB 4.22Å; V1066-V1149 HydrophobicContact CG1-CG1 3.87Å; V1066-V1149 HydrophobicContact CG2-CB 4.01Å; V1066-V1149 HydrophobicContact CG2-CG1 4.29Å; V1066-V1149 HydrophobicContact CG2-CG2 4.44Å; L1145-V1149 WeakPolarHBondContact O-CG2 3.37Å; L1145-V1149 PolarHBondContact O-N 2.99Å; L1145-V1149 VanDerWaalsContact O-N 3.14Å; I1146-V1149 PolarHBondContact O-N 3.15Å; V1149-Q1151 VanDerWaalsContact C-N 3.33Å; V1149-Q1151 PolarHBondContact O-N 3.18Å; V1149-N1152 PolarHBondContact O-N 2.87Å; V1149-L1153 PolarHBondContact O-N 3.24Å; V1149-L1153 VanDerWaalsContact O-N 3.12Å; V1149-F1159 HydrophobicContact CG2-CE2 4.49Å; V1149-F1159 HydrophobicContact CG2-CZ 4.33Å; V1149-L1169 HydrophobicContact CG1-CD1 4.5Å; V1149-L1169 HydrophobicContact CG2-CD1 3.47Å; V1149-L1169 VanDerWaalsContact CG2-CD1 3.47Å; V1149-F1172 HydrophobicContact CG1-CD1 4.41Å; V1149-I1173 HydrophobicContact CG1-CD1 4.23Å; V1149-I1173 HydrophobicContact CG1-CG1 4.36Å |
| 1150 | L | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 176 | -173 | 65.1 | 0 | 0 | 0 | 112 | I1069 W1070 I1073 F1113 I1117 I1121 I1146 L1153 A1154 | I1069-L1150 HydrophobicContact CG2-CD2 4.08Å; W1070-L1150 HydrophobicContact CB-CD1 4.5Å; W1070-L1150 HydrophobicContact CE3-CD1 4.29Å; I1073-L1150 HydrophobicContact CD1-CD1 4.41Å; I1073-L1150 HydrophobicContact CD1-CD2 3.88Å; F1113-L1150 HydrophobicContact CD1-CD2 4.33Å; F1113-L1150 HydrophobicContact CD1-CG 4.18Å; F1113-L1150 HydrophobicContact CE1-CD1 4.26Å; F1113-L1150 HydrophobicContact CE1-CD2 4.43Å; F1113-L1150 HydrophobicContact CE1-CG 4.31Å; I1117-L1150 HydrophobicContact CG2-CD2 3.98Å; I1121-L1150 HydrophobicContact CD1-CD2 3.64Å; I1146-L1150 PolarHBondContact O-N 3.29Å; I1146-L1150 VanDerWaalsContact O-N 3.07Å; L1150-L1153 PolarHBondContact O-N 2.85Å; L1150-A1154 WeakPolarHBondContact O-CB 3.39Å; L1150-A1154 PolarHBondContact O-N 2.95Å |
| 1151 | Q | 95.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 10% | 0.103 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 176.5 | -170.5 | 62.5 | 61.7 | 0 | 0 | 112.6 | C1118 A1147 K1148 V1149 A1154 N1155 | C1118-Q1151 PolarHBondContact SG-OE1 3.05Å; A1147-Q1151 WeakPolarHBondContact O-CB 3.23Å; A1147-Q1151 PolarHBondContact O-N 2.62Å; K1148-Q1151 PolarHBondContact O-N 3.05Å; V1149-Q1151 VanDerWaalsContact C-N 3.33Å; V1149-Q1151 PolarHBondContact O-N 3.18Å; Q1151-A1154 PolarHBondContact O-N 2.99Å; Q1151-N1155 PolarHBondContact NE2-OD1 3.05Å; Q1151-N1155 WeakPolarHBondContact O-CB 3.32Å; Q1151-N1155 PolarHBondContact O-N 3.26Å; Q1151-N1155 PolarHBondContact O-ND2 3.41Å; Q1151-N1155 PolarHBondContact O-OD1 2.94Å |
| 1152 | N | 94.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | 175.9 | -88.8 | 31.7 | 0 | 0 | 0 | 112 | K1148 V1149 N1155 L1156 T1157 F1159 I1173 | K1148-N1152 PolarHBondContact O-N 2.97Å; K1148-N1152 VanDerWaalsContact O-N 3.08Å; V1149-N1152 PolarHBondContact O-N 2.87Å; N1152-N1155 PolarHBondContact O-N 3.43Å; N1152-L1156 PolarHBondContact O-N 2.9Å; N1152-T1157 CarbonylContact C-O 3.46Å; N1152-T1157 PolarHBondContact O-N 2.8Å; N1152-T1157 VanDerWaalsContact O-O 3.12Å; N1152-T1157 PolarHBondContact O-OG1 3.32Å; N1152-F1159 HydrophobicContact CB-CE2 4.39Å; N1152-F1159 HydrophobicContact CB-CZ 4.18Å; N1152-F1159 WeakPolarHBondContact ND2-CD1 3.17Å; N1152-F1159 WeakPolarHBondContact ND2-CE1 3.33Å; N1152-I1173 HydrophobicContact CB-CD1 3.95Å |
| 1153 | L | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 170.3 | 177.7 | 61.1 | 0 | 0 | 0 | 111.4 | W1070 V1149 L1150 N1155 L1156 F1172 I1173 E1176 I1177 M1180 | W1070-L1153 HydrophobicContact CD2-CD2 4Å; W1070-L1153 HydrophobicContact CG-CD2 4.13Å; V1149-L1153 PolarHBondContact O-N 3.24Å; V1149-L1153 VanDerWaalsContact O-N 3.12Å; L1150-L1153 PolarHBondContact O-N 2.85Å; L1153-N1155 VanDerWaalsContact C-N 3.33Å; L1153-N1155 PolarHBondContact O-N 3.13Å; L1153-L1156 PolarHBondContact O-N 3.29Å; L1153-F1172 HydrophobicContact CD2-CE1 4.27Å; L1153-I1173 HydrophobicContact CB-CG2 4.3Å; L1153-I1173 HydrophobicContact CD1-CG2 4.08Å; L1153-E1176 HydrophobicContact CD1-CB 3.67Å; L1153-E1176 HydrophobicContact CD2-CB 4.08Å; L1153-I1177 HydrophobicContact CD1-CG1 4.17Å; L1153-M1180 HydrophobicContact CD1-CB 4.24Å; L1153-M1180 HydrophobicContact CD2-CE 4.02Å; L1153-M1180 HydrophobicContact CG-CB 4.4Å; L1153-M1180 HydrophobicContact CG-CE 3.77Å |
| 1154 | A | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -34.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1109 F1113 L1150 Q1151 L1156 M1180 | S1109-A1154 PolarHBondContact OG-O 3.28Å; F1113-A1154 HydrophobicContact CB-CB 3.51Å; F1113-A1154 HydrophobicContact CD1-CB 3.89Å; F1113-A1154 HydrophobicContact CD2-CB 3.62Å; F1113-A1154 HydrophobicContact CE2-CB 4.33Å; F1113-A1154 HydrophobicContact CG-CB 3.38Å; L1150-A1154 WeakPolarHBondContact O-CB 3.39Å; L1150-A1154 PolarHBondContact O-N 2.95Å; Q1151-A1154 PolarHBondContact O-N 2.99Å; A1154-L1156 PolarHBondContact O-N 3.22Å; A1154-M1180 HydrophobicContact CB-CE 4.21Å |
| 1155 | N | 92.3 | Very high | 92.8 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -9.5 | 173.8 | -68 | -14 | 0 | 0 | 0 | 113.1 | Q1151 N1152 L1153 T1157 | Q1151-N1155 PolarHBondContact NE2-OD1 3.05Å; Q1151-N1155 WeakPolarHBondContact O-CB 3.32Å; Q1151-N1155 PolarHBondContact O-N 3.26Å; Q1151-N1155 PolarHBondContact O-ND2 3.41Å; Q1151-N1155 PolarHBondContact O-OD1 2.94Å; N1152-N1155 PolarHBondContact O-N 3.43Å; L1153-N1155 VanDerWaalsContact C-N 3.33Å; L1153-N1155 PolarHBondContact O-N 3.13Å; N1155-T1157 VanDerWaalsContact C-N 3.27Å; N1155-T1157 HydrophobicContact CB-CG2 4.17Å; N1155-T1157 WeakPolarHBondContact CB-OG1 3.42Å; N1155-T1157 PolarHBondContact O-N 3.48Å |
| 1156 | L | 92.3 | Very high | 92.7 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 35.3 | -169.7 | -44.9 | -179.3 | 0 | 0 | 0 | 112.8 | N1152 L1153 A1154 I1177 M1180 Y1181 | N1152-L1156 PolarHBondContact O-N 2.9Å; L1153-L1156 PolarHBondContact O-N 3.29Å; A1154-L1156 PolarHBondContact O-N 3.22Å; L1156-I1177 HydrophobicContact CD2-CG2 4.3Å; L1156-M1180 HydrophobicContact CD2-CB 4.1Å; L1156-M1180 HydrophobicContact CD2-CG 3.66Å; L1156-Y1181 HydrophobicContact CD1-CD2 4.17Å |
| 1157 | T | 92.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 49.1 Ų | 49.1 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | trans | -124.9 | 133.1 | -175.5 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | N1152 N1155 | N1152-T1157 CarbonylContact C-O 3.46Å; N1152-T1157 PolarHBondContact O-N 2.8Å; N1152-T1157 VanDerWaalsContact O-O 3.12Å; N1152-T1157 PolarHBondContact O-OG1 3.32Å; N1155-T1157 VanDerWaalsContact C-N 3.27Å; N1155-T1157 HydrophobicContact CB-CG2 4.17Å; N1155-T1157 WeakPolarHBondContact CB-OG1 3.42Å; N1155-T1157 PolarHBondContact O-N 3.48Å | ||
| 1158 | L | 94.5 | Very high | 92.1 | Very high | 69 Ų | 69 | 50.6 Ų | 50.6 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | trans | -77.6 | 157.2 | 172.3 | -58 | -176.8 | 0 | 0 | 0 | 112 | E1160 N1170 I1173 E1174 I1177 | L1158-E1160 PolarHBondContact O-N 3.08Å; L1158-N1170 HydrophobicContact CD2-CB 4.22Å; L1158-I1173 HydrophobicContact CD2-CB 4.13Å; L1158-I1173 HydrophobicContact CD2-CG2 3.81Å; L1158-E1174 HydrophobicContact CD2-CB 4.04Å; L1158-I1177 HydrophobicContact CD2-CD1 4.16Å | ||
| 1159 | F | 94.5 | Very high | 92.1 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | trans | -68.8 | 127.6 | 172.6 | -72.4 | -76.4 | 0 | 0 | 0 | 111.8 | K1148 V1149 N1152 E1163 M1166 K1167 L1169 N1170 I1173 | K1148-F1159 HydrophobicContact CG-CE1 4.5Å; V1149-F1159 HydrophobicContact CG2-CE2 4.49Å; V1149-F1159 HydrophobicContact CG2-CZ 4.33Å; N1152-F1159 HydrophobicContact CB-CE2 4.39Å; N1152-F1159 HydrophobicContact CB-CZ 4.18Å; N1152-F1159 WeakPolarHBondContact ND2-CD1 3.17Å; N1152-F1159 WeakPolarHBondContact ND2-CE1 3.33Å; F1159-E1163 HydrophobicContact CD1-CB 4.37Å; F1159-M1166 HydrophobicContact CB-CB 4.16Å; F1159-M1166 HydrophobicContact CD1-CB 3.42Å; F1159-M1166 VanDerWaalsContact CD1-CB 3.42Å; F1159-M1166 HydrophobicContact CD1-CG 4.12Å; F1159-M1166 HydrophobicContact CD2-CB 3.85Å; F1159-M1166 WeakPolarHBondContact CD2-O 3.16Å; F1159-M1166 HydrophobicContact CE1-CB 3.64Å; F1159-M1166 HydrophobicContact CE1-CG 3.94Å; F1159-M1166 HydrophobicContact CE1-SD 4.27Å; F1159-M1166 HydrophobicContact CE2-CB 4.03Å; F1159-M1166 HydrophobicContact CG-CB 3.55Å; F1159-M1166 HydrophobicContact CZ-CB 3.94Å; F1159-M1166 HydrophobicContact CZ-CG 4.32Å; F1159-M1166 HydrophobicContact CZ-SD 4.16Å; F1159-K1167 HydrophobicContact CB-CG 4.44Å; F1159-L1169 HydrophobicContact CD2-CB 4.3Å; F1159-L1169 HydrophobicContact CE2-CB 4.07Å; F1159-L1169 HydrophobicContact CE2-CD1 4.16Å; F1159-N1170 WeakPolarHBondContact CB-OD1 3.28Å; F1159-N1170 WeakPolarHBondContact CD2-OD1 3.1Å; F1159-N1170 PolarHBondContact N-OD1 2.94Å; F1159-N1170 PolarHBondContact O-ND2 3.26Å; F1159-I1173 HydrophobicContact CD2-CD1 3.83Å; F1159-I1173 HydrophobicContact CE2-CD1 3.54Å | ||
| 1160 | E | 90.6 | Very high | 92 | Very high | 113 Ų | 113 | 49.3 Ų | 49.3 | 53% | 0.528 | 25% | 0.25 | S | C | . | . | trans | -88 | 177.5 | 177.7 | -60.9 | -178.7 | 166.6 | 0 | 0 | 113.4 | L1158 K1162 E1163 | L1158-E1160 PolarHBondContact O-N 3.08Å; E1160-K1162 PolarHBondContact O-N 3.1Å; E1160-K1162 VanDerWaalsContact O-N 3.12Å; E1160-K1162 IonicContact OE2-NZ 2.83Å; E1160-K1162 PolarHBondContact OE2-NZ 2.96Å; E1160-E1163 PolarHBondContact O-N 3.15Å | ||
| 1161 | D | 82.8 | Confident | 91.8 | Very high | 112 Ų | 112 | 53 Ų | 53 | 60% | 0.599 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -61.1 | -15.2 | 176.3 | -70.1 | -76.7 | 0 | 0 | 0 | 115.5 | E1163 I1164 K1167 | D1161-E1163 PolarHBondContact O-N 3.19Å; D1161-I1164 WeakPolarHBondContact O-CG1 3.31Å; D1161-K1167 WeakPolarHBondContact OD1-CE 3.45Å; D1161-K1167 IonicContact OD1-NZ 2.74Å; D1161-K1167 PolarHBondContact OD1-NZ 3.11Å; D1161-K1167 IonicContact OD2-NZ 2.92Å; D1161-K1167 PolarHBondContact OD2-NZ 2.7Å |
| 1162 | K | 83.7 | Confident | 91.8 | Very high | 173 Ų | 173 | 53.3 Ų | 53.3 | 75% | 0.752 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -62.5 | -25.6 | 170.6 | -64.2 | 172.9 | -170.6 | 126.4 | 0 | 111.8 | E1160 | E1160-K1162 PolarHBondContact O-N 3.1Å; E1160-K1162 VanDerWaalsContact O-N 3.12Å; E1160-K1162 IonicContact OE2-NZ 2.83Å; E1160-K1162 PolarHBondContact OE2-NZ 2.96Å |
| 1163 | E | 87.1 | Confident | 91.8 | Very high | 61 Ų | 61 | 52 Ų | 52 | 29% | 0.285 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -133 | 52.3 | -172 | -52.1 | -154.4 | 117.5 | 0 | 0 | 111.2 | K1148 F1159 E1160 D1161 H1165 M1166 K1167 | K1148-E1163 WeakPolarHBondContact CE-OE1 3.32Å; K1148-E1163 WeakPolarHBondContact CE-OE2 3.47Å; K1148-E1163 IonicContact NZ-OE1 3.47Å; K1148-E1163 PolarHBondContact NZ-OE1 3.39Å; K1148-E1163 IonicContact NZ-OE2 2.95Å; K1148-E1163 PolarHBondContact NZ-OE2 2.6Å; F1159-E1163 HydrophobicContact CD1-CB 4.37Å; E1160-E1163 PolarHBondContact O-N 3.15Å; D1161-E1163 PolarHBondContact O-N 3.19Å; E1163-H1165 PolarHBondContact O-N 3.45Å; E1163-M1166 HydrophobicContact CB-CB 4.19Å; E1163-M1166 HydrophobicContact CB-CG 4.19Å; E1163-M1166 WeakPolarHBondContact O-CA 3.34Å; E1163-M1166 WeakPolarHBondContact O-CB 3.46Å; E1163-M1166 PolarHBondContact O-N 3.39Å; E1163-K1167 PolarHBondContact O-N 3.19Å |
| 1164 | I | 87.7 | Confident | 91.8 | Very high | 120 Ų | 120 | 58 Ų | 58 | 62% | 0.615 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -45.9 | -42.2 | -176.2 | -48.7 | -179.1 | 0 | 0 | 0 | 113 | D1161 M1166 K1167 | D1161-I1164 WeakPolarHBondContact O-CG1 3.31Å; I1164-M1166 PolarHBondContact O-N 2.9Å; I1164-K1167 WeakPolarHBondContact O-CB 3.21Å; I1164-K1167 PolarHBondContact O-N 3.03Å; I1164-K1167 VanDerWaalsContact O-N 3.14Å |
| 1165 | H | 88.3 | Confident | 91.8 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 26% | 0.264 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -20 | 178.2 | 65.7 | -74.1 | 0 | 0 | 0 | 114.4 | I1030 E1163 | I1030-H1165 WeakPolarHBondContact CD1-O 3.44Å; E1163-H1165 PolarHBondContact O-N 3.45Å |
| 1166 | M | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -95.2 | -17.3 | 174.8 | -60.2 | -85.9 | 137.7 | 0 | 0 | 113.1 | I1030 L1145 F1159 E1163 I1164 A1168 L1169 | I1030-M1166 HydrophobicContact CD1-CE 3.58Å; I1030-M1166 HydrophobicContact CD1-SD 4.02Å; I1030-M1166 HydrophobicContact CG1-CE 3.41Å; I1030-M1166 VanDerWaalsContact CG1-CE 3.41Å; I1030-M1166 HydrophobicContact CG1-SD 4.49Å; L1145-M1166 HydrophobicContact CD2-CE 3.52Å; L1145-M1166 HydrophobicContact CD2-SD 4.44Å; F1159-M1166 HydrophobicContact CB-CB 4.16Å; F1159-M1166 HydrophobicContact CD1-CB 3.42Å; F1159-M1166 VanDerWaalsContact CD1-CB 3.42Å; F1159-M1166 HydrophobicContact CD1-CG 4.12Å; F1159-M1166 HydrophobicContact CD2-CB 3.85Å; F1159-M1166 WeakPolarHBondContact CD2-O 3.16Å; F1159-M1166 HydrophobicContact CE1-CB 3.64Å; F1159-M1166 HydrophobicContact CE1-CG 3.94Å; F1159-M1166 HydrophobicContact CE1-SD 4.27Å; F1159-M1166 HydrophobicContact CE2-CB 4.03Å; F1159-M1166 HydrophobicContact CG-CB 3.55Å; F1159-M1166 HydrophobicContact CZ-CB 3.94Å; F1159-M1166 HydrophobicContact CZ-CG 4.32Å; F1159-M1166 HydrophobicContact CZ-SD 4.16Å; E1163-M1166 HydrophobicContact CB-CB 4.19Å; E1163-M1166 HydrophobicContact CB-CG 4.19Å; E1163-M1166 WeakPolarHBondContact O-CA 3.34Å; E1163-M1166 WeakPolarHBondContact O-CB 3.46Å; E1163-M1166 PolarHBondContact O-N 3.39Å; I1164-M1166 PolarHBondContact O-N 2.9Å; M1166-A1168 PolarHBondContact O-N 3.49Å; M1166-A1168 VanDerWaalsContact O-N 3.08Å; M1166-L1169 HydrophobicContact CB-CD1 4.46Å; M1166-L1169 VanDerWaalsContact O-CB 3.27Å; M1166-L1169 WeakPolarHBondContact O-CB 3.49Å; M1166-L1169 WeakPolarHBondContact O-CG 3.5Å; M1166-L1169 PolarHBondContact O-N 3Å; M1166-L1169 HydrophobicContact SD-CD1 3.79Å |
| 1167 | K | 92.3 | Very high | 92.2 | Very high | 71 Ų | 71 | 62.7 Ų | 62.7 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.9 | -34.1 | 179.7 | -80.6 | -167.3 | 162.4 | -172.2 | 0 | 113.2 | F1159 D1161 E1163 I1164 L1169 N1170 | F1159-K1167 HydrophobicContact CB-CG 4.44Å; D1161-K1167 WeakPolarHBondContact OD1-CE 3.45Å; D1161-K1167 IonicContact OD1-NZ 2.74Å; D1161-K1167 PolarHBondContact OD1-NZ 3.11Å; D1161-K1167 IonicContact OD2-NZ 2.92Å; D1161-K1167 PolarHBondContact OD2-NZ 2.7Å; E1163-K1167 PolarHBondContact O-N 3.19Å; I1164-K1167 WeakPolarHBondContact O-CB 3.21Å; I1164-K1167 PolarHBondContact O-N 3.03Å; I1164-K1167 VanDerWaalsContact O-N 3.14Å; K1167-L1169 PolarHBondContact O-N 2.82Å; K1167-L1169 VanDerWaalsContact O-N 3.12Å; K1167-N1170 VanDerWaalsContact O-CB 3.24Å; K1167-N1170 WeakPolarHBondContact O-CB 3.48Å; K1167-N1170 VanDerWaalsContact O-CG 3.29Å; K1167-N1170 PolarHBondContact O-N 3.47Å; K1167-N1170 PolarHBondContact O-ND2 2.92Å |
| 1168 | A | 90.3 | Very high | 92.4 | Very high | 40 Ų | 40 | 63.7 Ų | 63.7 | 33% | 0.331 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -15.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1059 M1166 S1171 | R1059-A1168 PolarHBondContact NH2-O 3.48Å; M1166-A1168 PolarHBondContact O-N 3.49Å; M1166-A1168 VanDerWaalsContact O-N 3.08Å; A1168-S1171 PolarHBondContact O-OG 3.31Å |
| 1169 | L | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11 | 175.2 | -50.9 | 178.5 | 0 | 0 | 0 | 112.7 | I1030 R1059 L1062 L1063 V1149 F1159 M1166 K1167 S1171 F1172 I1173 | I1030-L1169 HydrophobicContact CD1-CD1 3.76Å; I1030-L1169 HydrophobicContact CD1-CD2 4.1Å; I1030-L1169 HydrophobicContact CD1-CG 4.04Å; R1059-L1169 HydrophobicContact CG-CD2 3.88Å; L1062-L1169 HydrophobicContact CD2-CD1 4.01Å; L1062-L1169 HydrophobicContact CD2-CD2 4.47Å; L1063-L1169 HydrophobicContact CD1-CD2 4.17Å; L1063-L1169 HydrophobicContact CD2-CB 4.45Å; L1063-L1169 HydrophobicContact CD2-CD2 3.77Å; L1063-L1169 HydrophobicContact CG-CD2 3.85Å; V1149-L1169 HydrophobicContact CG1-CD1 4.5Å; V1149-L1169 HydrophobicContact CG2-CD1 3.47Å; V1149-L1169 VanDerWaalsContact CG2-CD1 3.47Å; F1159-L1169 HydrophobicContact CD2-CB 4.3Å; F1159-L1169 HydrophobicContact CE2-CB 4.07Å; F1159-L1169 HydrophobicContact CE2-CD1 4.16Å; M1166-L1169 HydrophobicContact CB-CD1 4.46Å; M1166-L1169 VanDerWaalsContact O-CB 3.27Å; M1166-L1169 WeakPolarHBondContact O-CB 3.49Å; M1166-L1169 WeakPolarHBondContact O-CG 3.5Å; M1166-L1169 PolarHBondContact O-N 3Å; M1166-L1169 HydrophobicContact SD-CD1 3.79Å; K1167-L1169 PolarHBondContact O-N 2.82Å; K1167-L1169 VanDerWaalsContact O-N 3.12Å; L1169-S1171 PolarHBondContact O-N 3.22Å; L1169-F1172 PolarHBondContact O-N 2.91Å; L1169-I1173 PolarHBondContact O-N 3.25Å |
| 1170 | N | 95.2 | Very high | 92.6 | Very high | 24 Ų | 24 | 61.8 Ų | 61.8 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.3 | -27.3 | 176.2 | -68.3 | -16.1 | 0 | 0 | 0 | 112.1 | L1158 F1159 K1167 F1172 I1173 E1174 | L1158-N1170 HydrophobicContact CD2-CB 4.22Å; F1159-N1170 WeakPolarHBondContact CB-OD1 3.28Å; F1159-N1170 WeakPolarHBondContact CD2-OD1 3.1Å; F1159-N1170 PolarHBondContact N-OD1 2.94Å; F1159-N1170 PolarHBondContact O-ND2 3.26Å; K1167-N1170 VanDerWaalsContact O-CB 3.24Å; K1167-N1170 WeakPolarHBondContact O-CB 3.48Å; K1167-N1170 VanDerWaalsContact O-CG 3.29Å; K1167-N1170 PolarHBondContact O-N 3.47Å; K1167-N1170 PolarHBondContact O-ND2 2.92Å; N1170-F1172 PolarHBondContact O-N 2.98Å; N1170-F1172 VanDerWaalsContact O-N 3.11Å; N1170-I1173 PolarHBondContact O-N 2.97Å; N1170-I1173 VanDerWaalsContact O-N 3.1Å; N1170-E1174 WeakPolarHBondContact O-CB 3.37Å; N1170-E1174 PolarHBondContact O-N 3.04Å |
| 1171 | S | 93.6 | Very high | 92.7 | Very high | 79 Ų | 79 | 58.4 Ų | 58.4 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.5 | -15.1 | 174.3 | 66.4 | 0 | 0 | 0 | 0 | 114.4 | A1168 L1169 | A1168-S1171 PolarHBondContact O-OG 3.31Å; L1169-S1171 PolarHBondContact O-N 3.22Å |
| 1172 | F | 95.7 | Very high | 93.3 | Very high | 27 Ų | 27 | 60.7 Ų | 60.7 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -98.8 | -39.3 | 168.9 | 167.2 | -98.8 | 0 | 0 | 0 | 111.6 | L1063 V1066 A1067 W1070 V1149 L1153 L1169 N1170 P1175 E1176 | L1063-F1172 HydrophobicContact CD2-CB 3.67Å; L1063-F1172 HydrophobicContact CD2-CD1 4.26Å; L1063-F1172 HydrophobicContact CD2-CG 3.99Å; V1066-F1172 HydrophobicContact CG1-CD1 4.33Å; V1066-F1172 HydrophobicContact CG1-CE1 3.58Å; V1066-F1172 HydrophobicContact CG1-CZ 4.07Å; A1067-F1172 HydrophobicContact CB-CE2 3.79Å; A1067-F1172 HydrophobicContact CB-CZ 4.27Å; W1070-F1172 HydrophobicContact CB-CZ 4.4Å; V1149-F1172 HydrophobicContact CG1-CD1 4.41Å; L1153-F1172 HydrophobicContact CD2-CE1 4.27Å; L1169-F1172 PolarHBondContact O-N 2.91Å; N1170-F1172 PolarHBondContact O-N 2.98Å; N1170-F1172 VanDerWaalsContact O-N 3.11Å; F1172-P1175 WeakPolarHBondContact O-CD 3.25Å; F1172-E1176 HydrophobicContact CD2-CG 4.34Å; F1172-E1176 HydrophobicContact CE2-CG 3.96Å; F1172-E1176 HydrophobicContact CZ-CG 4.18Å; F1172-E1176 VanDerWaalsContact O-CG 3.28Å; F1172-E1176 WeakPolarHBondContact O-CG 3.34Å |
| 1173 | I | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.1 | -47.4 | -175.8 | -62.6 | 176.1 | 0 | 0 | 0 | 111.9 | V1149 N1152 L1153 L1158 F1159 L1169 N1170 E1176 I1177 | V1149-I1173 HydrophobicContact CG1-CD1 4.23Å; V1149-I1173 HydrophobicContact CG1-CG1 4.36Å; N1152-I1173 HydrophobicContact CB-CD1 3.95Å; L1153-I1173 HydrophobicContact CB-CG2 4.3Å; L1153-I1173 HydrophobicContact CD1-CG2 4.08Å; L1158-I1173 HydrophobicContact CD2-CB 4.13Å; L1158-I1173 HydrophobicContact CD2-CG2 3.81Å; F1159-I1173 HydrophobicContact CD2-CD1 3.83Å; F1159-I1173 HydrophobicContact CE2-CD1 3.54Å; L1169-I1173 PolarHBondContact O-N 3.25Å; N1170-I1173 PolarHBondContact O-N 2.97Å; N1170-I1173 VanDerWaalsContact O-N 3.1Å; I1173-E1176 PolarHBondContact O-N 3.15Å; I1173-E1176 VanDerWaalsContact O-N 3.11Å; I1173-I1177 HydrophobicContact CG2-CD1 4.12Å; I1173-I1177 HydrophobicContact CG2-CG1 4.21Å; I1173-I1177 WeakPolarHBondContact O-CG1 3.43Å; I1173-I1177 PolarHBondContact O-N 3.35Å; I1173-I1177 VanDerWaalsContact O-N 3.1Å |
| 1174 | E | 95.5 | Very high | 94.2 | Very high | 125 Ų | 125 | 49.8 Ų | 49.8 | 58% | 0.584 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55.9 | -49.6 | -174.5 | -172.2 | 169.6 | -164 | 0 | 0 | 114.1 | L1158 N1170 E1176 | L1158-E1174 HydrophobicContact CD2-CB 4.04Å; N1170-E1174 WeakPolarHBondContact O-CB 3.37Å; N1170-E1174 PolarHBondContact O-N 3.04Å; E1174-E1176 VanDerWaalsContact C-N 3.3Å; E1174-E1176 PolarHBondContact O-N 3.49Å |
| 1175 | P | 96.2 | Very high | 94.5 | Very high | 81 Ų | 81 | 50 Ų | 50 | 53% | 0.526 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.8 | -20.6 | 176.4 | 28.4 | -36.4 | 0 | 0 | 0 | 114.3 | F1172 P1178 | F1172-P1175 WeakPolarHBondContact O-CD 3.25Å; P1175-P1178 WeakPolarHBondContact O-CD 3.4Å |
| 1176 | E | 96.4 | Very high | 94.7 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 23% | 0.234 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -90.5 | -12.8 | -178.2 | -69.5 | -63.4 | 158.4 | 0 | 0 | 113.7 | W1070 L1153 F1172 I1173 E1174 T1179 M1180 | W1070-E1176 PolarHBondContact NE1-OE2 2.83Å; L1153-E1176 HydrophobicContact CD1-CB 3.67Å; L1153-E1176 HydrophobicContact CD2-CB 4.08Å; F1172-E1176 HydrophobicContact CD2-CG 4.34Å; F1172-E1176 HydrophobicContact CE2-CG 3.96Å; F1172-E1176 HydrophobicContact CZ-CG 4.18Å; F1172-E1176 VanDerWaalsContact O-CG 3.28Å; F1172-E1176 WeakPolarHBondContact O-CG 3.34Å; I1173-E1176 PolarHBondContact O-N 3.15Å; I1173-E1176 VanDerWaalsContact O-N 3.11Å; E1174-E1176 VanDerWaalsContact C-N 3.3Å; E1174-E1176 PolarHBondContact O-N 3.49Å; E1176-T1179 WeakPolarHBondContact O-CB 3.45Å; E1176-T1179 PolarHBondContact O-N 3.48Å; E1176-T1179 VanDerWaalsContact O-N 3.14Å; E1176-T1179 WeakPolarHBondContact OE2-CB 3.48Å; E1176-T1179 PolarHBondContact OE2-OG1 3.25Å; E1176-M1180 PolarHBondContact O-N 3.43Å |
| 1177 | I | 95.8 | Very high | 94.7 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 22% | 0.221 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.5 | -45.7 | 176.5 | -81.2 | 167.9 | 0 | 0 | 0 | 112.7 | L1153 L1156 L1158 I1173 T1179 M1180 Y1181 | L1153-I1177 HydrophobicContact CD1-CG1 4.17Å; L1156-I1177 HydrophobicContact CD2-CG2 4.3Å; L1158-I1177 HydrophobicContact CD2-CD1 4.16Å; I1173-I1177 HydrophobicContact CG2-CD1 4.12Å; I1173-I1177 HydrophobicContact CG2-CG1 4.21Å; I1173-I1177 WeakPolarHBondContact O-CG1 3.43Å; I1173-I1177 PolarHBondContact O-N 3.35Å; I1173-I1177 VanDerWaalsContact O-N 3.1Å; I1177-T1179 PolarHBondContact O-N 3.35Å; I1177-M1180 PolarHBondContact O-N 2.93Å; I1177-Y1181 PolarHBondContact O-N 2.94Å |
| 1178 | P | 95.6 | Very high | 94.8 | Very high | 85 Ų | 85 | 45.2 Ų | 45.2 | 55% | 0.552 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.8 | -38 | 175.5 | -23 | 35 | 0 | 0 | 0 | 113.1 | P1175 Y1181 K1182 | P1175-P1178 WeakPolarHBondContact O-CD 3.4Å; P1178-Y1181 PolarHBondContact O-N 2.7Å; P1178-K1182 WeakPolarHBondContact O-CB 3.29Å; P1178-K1182 PolarHBondContact O-N 3.25Å |
| 1179 | T | 96.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 22% | 0.221 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 175.2 | -45.5 | 0 | 0 | 0 | 0 | 110.6 | W1070 E1074 E1176 I1177 Y1181 K1182 F1183 | W1070-T1179 HydrophobicContact CZ2-CG2 4Å; E1074-T1179 HydrophobicContact CG-CG2 4.4Å; E1074-T1179 VanDerWaalsContact OE1-CG2 3.3Å; E1074-T1179 WeakPolarHBondContact OE1-CG2 3.44Å; E1176-T1179 WeakPolarHBondContact O-CB 3.45Å; E1176-T1179 PolarHBondContact O-N 3.48Å; E1176-T1179 VanDerWaalsContact O-N 3.14Å; E1176-T1179 WeakPolarHBondContact OE2-CB 3.48Å; E1176-T1179 PolarHBondContact OE2-OG1 3.25Å; I1177-T1179 PolarHBondContact O-N 3.35Å; T1179-Y1181 PolarHBondContact O-N 3.07Å; T1179-K1182 PolarHBondContact O-N 3.46Å; T1179-F1183 WeakPolarHBondContact O-CB 3.49Å; T1179-F1183 PolarHBondContact O-N 3.31Å |
| 1180 | M | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 174.9 | 177 | 60.7 | 73.1 | 0 | 0 | 111.6 | W1070 F1113 L1153 A1154 L1156 E1176 I1177 K1182 F1183 L1184 | W1070-M1180 HydrophobicContact CE3-CE 3.84Å; W1070-M1180 HydrophobicContact CH2-CB 4.18Å; W1070-M1180 HydrophobicContact CH2-CE 3.45Å; W1070-M1180 VanDerWaalsContact CH2-CE 3.45Å; W1070-M1180 HydrophobicContact CH2-SD 3.73Å; W1070-M1180 HydrophobicContact CZ2-CB 4.15Å; W1070-M1180 HydrophobicContact CZ2-CE 4.11Å; W1070-M1180 HydrophobicContact CZ3-CE 3.28Å; W1070-M1180 HydrophobicContact CZ3-SD 3.98Å; F1113-M1180 HydrophobicContact CE1-CE 4.03Å; F1113-M1180 HydrophobicContact CE2-CE 4.01Å; F1113-M1180 HydrophobicContact CE2-SD 3.69Å; F1113-M1180 HydrophobicContact CZ-CE 3.63Å; F1113-M1180 HydrophobicContact CZ-SD 3.82Å; L1153-M1180 HydrophobicContact CD1-CB 4.24Å; L1153-M1180 HydrophobicContact CD2-CE 4.02Å; L1153-M1180 HydrophobicContact CG-CB 4.4Å; L1153-M1180 HydrophobicContact CG-CE 3.77Å; A1154-M1180 HydrophobicContact CB-CE 4.21Å; L1156-M1180 HydrophobicContact CD2-CB 4.1Å; L1156-M1180 HydrophobicContact CD2-CG 3.66Å; E1176-M1180 PolarHBondContact O-N 3.43Å; I1177-M1180 PolarHBondContact O-N 2.93Å; M1180-K1182 PolarHBondContact O-N 3.33Å; M1180-F1183 PolarHBondContact O-N 3.44Å; M1180-F1183 HydrophobicContact SD-CD1 4.37Å; M1180-L1184 HydrophobicContact CG-CD1 4.04Å; M1180-L1184 VanDerWaalsContact O-CG 3.27Å; M1180-L1184 WeakPolarHBondContact O-CG 3.16Å; M1180-L1184 PolarHBondContact O-N 2.89Å; M1180-L1184 HydrophobicContact SD-CD1 4.17Å; M1180-L1184 HydrophobicContact SD-CG 4.16Å |
| 1181 | Y | 94.5 | Very high | 93.4 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 17% | 0.169 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 178.6 | -170.7 | -96.6 | 0 | 0 | 0 | 112.7 | Q1102 A1105 L1156 I1177 P1178 T1179 L1184 R1185 | Q1102-Y1181 PolarHBondContact NE2-OH 3.49Å; A1105-Y1181 HydrophobicContact CB-CD2 4.17Å; A1105-Y1181 HydrophobicContact CB-CE2 3.64Å; L1156-Y1181 HydrophobicContact CD1-CD2 4.17Å; I1177-Y1181 PolarHBondContact O-N 2.94Å; P1178-Y1181 PolarHBondContact O-N 2.7Å; T1179-Y1181 PolarHBondContact O-N 3.07Å; Y1181-L1184 PolarHBondContact O-N 3.42Å; Y1181-R1185 HydrophobicContact CE1-CG 4.13Å; Y1181-R1185 PolarHBondContact O-N 3.39Å; Y1181-R1185 VanDerWaalsContact O-N 3.07Å; Y1181-R1185 PolarHBondContact OH-NH2 3.13Å |
| 1182 | K | 94.2 | Very high | 92.4 | Very high | 159 Ų | 159 | 50.5 Ų | 50.5 | 69% | 0.691 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 174.3 | -176.5 | -177.2 | 176.2 | -173.6 | 0 | 112 | P1178 T1179 M1180 R1185 S1186 | P1178-K1182 WeakPolarHBondContact O-CB 3.29Å; P1178-K1182 PolarHBondContact O-N 3.25Å; T1179-K1182 PolarHBondContact O-N 3.46Å; M1180-K1182 PolarHBondContact O-N 3.33Å; K1182-R1185 PolarHBondContact O-N 3.44Å; K1182-S1186 PolarHBondContact O-N 2.91Å |
| 1183 | F | 95.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 175.1 | 169.2 | -96.4 | 0 | 0 | 0 | 111.7 | W1070 I1073 Q1077 L1112 F1113 T1179 M1180 R1185 S1186 V1187 | W1070-F1183 HydrophobicContact CH2-CB 4.07Å; W1070-F1183 HydrophobicContact CH2-CD1 4.1Å; W1070-F1183 HydrophobicContact CH2-CG 4.07Å; W1070-F1183 HydrophobicContact CZ3-CD1 4.34Å; I1073-F1183 HydrophobicContact CG2-CE1 4.08Å; I1073-F1183 HydrophobicContact CG2-CE2 4.12Å; I1073-F1183 HydrophobicContact CG2-CZ 3.6Å; Q1077-F1183 HydrophobicContact CB-CD2 4.15Å; Q1077-F1183 HydrophobicContact CB-CE2 3.91Å; L1112-F1183 HydrophobicContact CD2-CE1 3.79Å; L1112-F1183 HydrophobicContact CD2-CZ 4.07Å; F1113-F1183 HydrophobicContact CE2-CE1 4.09Å; F1113-F1183 HydrophobicContact CZ-CD1 4.49Å; F1113-F1183 AromaticContact CZ-CE1 3.96Å; F1113-F1183 HydrophobicContact CZ-CE1 3.96Å; T1179-F1183 WeakPolarHBondContact O-CB 3.49Å; T1179-F1183 PolarHBondContact O-N 3.31Å; M1180-F1183 PolarHBondContact O-N 3.44Å; M1180-F1183 HydrophobicContact SD-CD1 4.37Å; F1183-R1185 PolarHBondContact O-N 2.87Å; F1183-S1186 WeakPolarHBondContact O-CB 3.21Å; F1183-S1186 PolarHBondContact O-N 2.89Å; F1183-S1186 VanDerWaalsContact O-N 3.11Å; F1183-V1187 HydrophobicContact CD2-CG1 4.27Å; F1183-V1187 HydrophobicContact CE1-CG1 4.25Å; F1183-V1187 HydrophobicContact CE2-CG1 3.82Å; F1183-V1187 HydrophobicContact CZ-CG1 3.8Å; F1183-V1187 PolarHBondContact O-N 2.99Å |
| 1184 | L | 95.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 177.9 | -69.5 | 167.4 | 0 | 0 | 0 | 112.4 | I1108 F1113 M1180 Y1181 S1186 V1187 A1188 | I1108-L1184 HydrophobicContact CG2-CD2 4.32Å; F1113-L1184 HydrophobicContact CE2-CD2 4.28Å; M1180-L1184 HydrophobicContact CG-CD1 4.04Å; M1180-L1184 VanDerWaalsContact O-CG 3.27Å; M1180-L1184 WeakPolarHBondContact O-CG 3.16Å; M1180-L1184 PolarHBondContact O-N 2.89Å; M1180-L1184 HydrophobicContact SD-CD1 4.17Å; M1180-L1184 HydrophobicContact SD-CG 4.16Å; Y1181-L1184 PolarHBondContact O-N 3.42Å; L1184-S1186 VanDerWaalsContact C-N 3.34Å; L1184-V1187 WeakPolarHBondContact O-CG2 3.32Å; L1184-A1188 WeakPolarHBondContact O-CB 3.38Å; L1184-A1188 PolarHBondContact O-N 3.32Å |
| 1185 | R | 93.2 | Very high | 89.8 | Confident | 123 Ų | 123 | 51.9 Ų | 51.9 | 46% | 0.464 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 171.6 | -85.1 | -82.8 | -170.3 | 79.6 | -2.6 | 112.3 | Y1181 K1182 F1183 A1188 S1189 | Y1181-R1185 HydrophobicContact CE1-CG 4.13Å; Y1181-R1185 PolarHBondContact O-N 3.39Å; Y1181-R1185 VanDerWaalsContact O-N 3.07Å; Y1181-R1185 PolarHBondContact OH-NH2 3.13Å; K1182-R1185 PolarHBondContact O-N 3.44Å; F1183-R1185 PolarHBondContact O-N 2.87Å; R1185-A1188 PolarHBondContact O-N 3.37Å; R1185-S1189 WeakPolarHBondContact O-CB 3.42Å; R1185-S1189 PolarHBondContact O-N 2.89Å |
| 1186 | S | 92.5 | Very high | 88.9 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.6 | -49.6 | -179.6 | 175.2 | 0 | 0 | 0 | 0 | 112.6 | Q1077 R1085 K1182 F1183 L1184 A1188 S1189 D1192 | Q1077-S1186 PolarHBondContact OE1-OG 3.32Å; R1085-S1186 PolarHBondContact NH2-O 3.1Å; K1182-S1186 PolarHBondContact O-N 2.91Å; F1183-S1186 WeakPolarHBondContact O-CB 3.21Å; F1183-S1186 PolarHBondContact O-N 2.89Å; F1183-S1186 VanDerWaalsContact O-N 3.11Å; L1184-S1186 VanDerWaalsContact C-N 3.34Å; S1186-A1188 PolarHBondContact O-N 3.39Å; S1186-A1188 VanDerWaalsContact O-N 3.14Å; S1186-S1189 PolarHBondContact O-N 2.89Å; S1186-D1192 WeakPolarHBondContact CA-OD2 3.13Å; S1186-D1192 VanDerWaalsContact CB-OD2 3.23Å; S1186-D1192 WeakPolarHBondContact CB-OD2 3Å; S1186-D1192 PolarHBondContact OG-OD2 3.4Å |
| 1187 | V | 93.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -16.5 | -179.3 | -60.6 | 0 | 0 | 0 | 0 | 113.4 | Q1077 L1080 F1088 I1108 F1183 L1184 | Q1077-V1187 HydrophobicContact CB-CG1 4.36Å; L1080-V1187 HydrophobicContact CD2-CB 3.7Å; L1080-V1187 HydrophobicContact CD2-CG1 3.8Å; F1088-V1187 HydrophobicContact CD2-CB 4.43Å; F1088-V1187 HydrophobicContact CD2-CG2 4.32Å; I1108-V1187 HydrophobicContact CG2-CG2 4.24Å; F1183-V1187 HydrophobicContact CD2-CG1 4.27Å; F1183-V1187 HydrophobicContact CE1-CG1 4.25Å; F1183-V1187 HydrophobicContact CE2-CG1 3.82Å; F1183-V1187 HydrophobicContact CZ-CG1 3.8Å; F1183-V1187 PolarHBondContact O-N 2.99Å; L1184-V1187 WeakPolarHBondContact O-CG2 3.32Å |
| 1188 | A | 93.1 | Very high | 87.4 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 13% | 0.132 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 8.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1088 T1089 A1092 I1108 L1184 R1185 S1186 | F1088-A1188 HydrophobicContact CB-CB 4.45Å; T1089-A1188 WeakPolarHBondContact CA-O 3.3Å; T1089-A1188 PolarHBondContact OG1-O 3.24Å; T1089-A1188 VanDerWaalsContact OG1-O 3.14Å; A1092-A1188 HydrophobicContact CB-CB 4.15Å; I1108-A1188 HydrophobicContact CD1-CB 3.51Å; L1184-A1188 WeakPolarHBondContact O-CB 3.38Å; L1184-A1188 PolarHBondContact O-N 3.32Å; R1185-A1188 PolarHBondContact O-N 3.37Å; S1186-A1188 PolarHBondContact O-N 3.39Å; S1186-A1188 VanDerWaalsContact O-N 3.14Å |
| 1189 | S | 89.4 | Confident | 86.6 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 16% | 0.161 | 30% | 0.3 | C | S | . | . | trans | -121.4 | 105.5 | -173.2 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | R1085 R1185 S1186 T1191 D1192 | R1085-S1189 PolarHBondContact NH1-O 3.49Å; R1185-S1189 WeakPolarHBondContact O-CB 3.42Å; R1185-S1189 PolarHBondContact O-N 2.89Å; S1186-S1189 PolarHBondContact O-N 2.89Å; S1189-T1191 PolarHBondContact O-N 3.45Å; S1189-T1191 PolarHBondContact OG-OG1 3.22Å; S1189-T1191 VanDerWaalsContact OG-OG1 3.07Å; S1189-D1192 WeakPolarHBondContact CB-OD1 3.49Å; S1189-D1192 WeakPolarHBondContact O-CB 3.47Å; S1189-D1192 PolarHBondContact O-N 2.9Å; S1189-D1192 PolarHBondContact OG-N 3.29Å; S1189-D1192 PolarHBondContact OG-OD1 3.08Å | ||
| 1190 | N | 83.5 | Confident | 86 | Confident | 50 Ų | 50 | 60 Ų | 60 | 27% | 0.267 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -10.4 | 171.8 | -79.9 | -5 | 0 | 0 | 0 | 114 | R1085 D1086 T1089 D1192 Y1195 | R1085-N1190 PolarHBondContact O-OD1 3.45Å; D1086-N1190 PolarHBondContact OD1-ND2 2.93Å; T1089-N1190 HydrophobicContact CG2-CB 4.25Å; T1089-N1190 VanDerWaalsContact OG1-CG 3.24Å; T1089-N1190 PolarHBondContact OG1-N 3.01Å; T1089-N1190 PolarHBondContact OG1-OD1 2.91Å; T1089-N1190 VanDerWaalsContact OG1-OD1 3.11Å; N1190-D1192 VanDerWaalsContact C-N 3.34Å; N1190-Y1195 HydrophobicContact CB-CD2 4.38Å; N1190-Y1195 HydrophobicContact CB-CE2 4.49Å; N1190-Y1195 WeakPolarHBondContact OD1-CD2 3.29Å; N1190-Y1195 VanDerWaalsContact OD1-CE2 3.3Å; N1190-Y1195 WeakPolarHBondContact OD1-CE2 3.17Å |
| 1191 | T | 78 | Confident | 85.2 | Confident | 138 Ų | 138 | 60.8 Ų | 60.8 | 85% | 0.847 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.3 | 174.4 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | S1189 | S1189-T1191 PolarHBondContact O-N 3.45Å; S1189-T1191 PolarHBondContact OG-OG1 3.22Å; S1189-T1191 VanDerWaalsContact OG-OG1 3.07Å |
| 1192 | D | 73.6 | Confident | 84.4 | Confident | 42 Ų | 42 | 64 Ų | 64 | 23% | 0.225 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -63.6 | 138.1 | 176 | -78.8 | 11.1 | 0 | 0 | 0 | 112 | R1085 S1186 S1189 N1190 N1194 Y1195 | R1085-D1192 IonicContact NH2-OD2 3.58Å; R1085-D1192 PolarHBondContact NH2-OD2 3.47Å; S1186-D1192 WeakPolarHBondContact CA-OD2 3.13Å; S1186-D1192 VanDerWaalsContact CB-OD2 3.23Å; S1186-D1192 WeakPolarHBondContact CB-OD2 3Å; S1186-D1192 PolarHBondContact OG-OD2 3.4Å; S1189-D1192 WeakPolarHBondContact CB-OD1 3.49Å; S1189-D1192 WeakPolarHBondContact O-CB 3.47Å; S1189-D1192 PolarHBondContact O-N 2.9Å; S1189-D1192 PolarHBondContact OG-N 3.29Å; S1189-D1192 PolarHBondContact OG-OD1 3.08Å; N1190-D1192 VanDerWaalsContact C-N 3.34Å; D1192-N1194 PolarHBondContact O-N 3.12Å; D1192-Y1195 VanDerWaalsContact O-CB 3.29Å; D1192-Y1195 WeakPolarHBondContact O-CB 3.41Å; D1192-Y1195 PolarHBondContact O-N 3.02Å |
| 1193 | A | 73.8 | Confident | 83.8 | Confident | 90 Ų | 90 | 56.5 Ų | 56.5 | 74% | 0.744 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -54.8 | -23.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1195 | A1193-Y1195 VanDerWaalsContact C-N 3.32Å; A1193-Y1195 PolarHBondContact O-N 2.88Å |
| 1194 | N | 78.1 | Confident | 83.1 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -74.7 | -13.4 | 175.8 | -68.5 | -38.3 | 0 | 0 | 0 | 114.3 | Q1077 C1078 D1192 H1196 L1197 S1198 | Q1077-N1194 PolarHBondContact NE2-ND2 3.02Å; C1078-N1194 HydrophobicContact CB-CB 4.01Å; D1192-N1194 PolarHBondContact O-N 3.12Å; N1194-H1196 VanDerWaalsContact C-N 3.32Å; N1194-H1196 PolarHBondContact O-N 3.12Å; N1194-L1197 WeakPolarHBondContact O-CB 3.37Å; N1194-L1197 PolarHBondContact O-N 3.01Å; N1194-L1197 VanDerWaalsContact O-N 3.14Å; N1194-S1198 PolarHBondContact O-N 3.46Å |
| 1195 | Y | 81.1 | Confident | 82.2 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 19% | 0.188 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -65.9 | -30.2 | -179.3 | -179.8 | -101.5 | 0 | 0 | 0 | 113.1 | K1082 R1085 D1086 N1190 D1192 A1193 L1197 S1198 | K1082-Y1195 HydrophobicContact CB-CE2 4.42Å; K1082-Y1195 HydrophobicContact CD-CE2 4.49Å; K1082-Y1195 HydrophobicContact CG-CE2 4.17Å; R1085-Y1195 HydrophobicContact CB-CD2 4.23Å; R1085-Y1195 HydrophobicContact CB-CE2 4.27Å; D1086-Y1195 PolarHBondContact OD1-OH 2.92Å; D1086-Y1195 VanDerWaalsContact OD1-OH 3.06Å; D1086-Y1195 PolarHBondContact OD2-OH 3.37Å; N1190-Y1195 HydrophobicContact CB-CD2 4.38Å; N1190-Y1195 HydrophobicContact CB-CE2 4.49Å; N1190-Y1195 WeakPolarHBondContact OD1-CD2 3.29Å; N1190-Y1195 VanDerWaalsContact OD1-CE2 3.3Å; N1190-Y1195 WeakPolarHBondContact OD1-CE2 3.17Å; D1192-Y1195 VanDerWaalsContact O-CB 3.29Å; D1192-Y1195 WeakPolarHBondContact O-CB 3.41Å; D1192-Y1195 PolarHBondContact O-N 3.02Å; A1193-Y1195 VanDerWaalsContact C-N 3.32Å; A1193-Y1195 PolarHBondContact O-N 2.88Å; Y1195-L1197 VanDerWaalsContact C-N 3.29Å; Y1195-L1197 PolarHBondContact O-N 2.99Å; Y1195-S1198 PolarHBondContact O-OG 2.85Å |
| 1196 | H | 77.8 | Confident | 81.5 | Confident | 164 Ų | 164 | 62.3 Ų | 62.3 | 76% | 0.759 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -74 | -21.6 | 174.6 | -71.8 | -56.8 | 0 | 0 | 0 | 113.4 | N1194 | N1194-H1196 VanDerWaalsContact C-N 3.32Å; N1194-H1196 PolarHBondContact O-N 3.12Å |
| 1197 | L | 80.3 | Confident | 81.3 | Confident | 116 Ų | 116 | 61.9 Ų | 61.9 | 61% | 0.607 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -17.9 | -179.2 | -76.3 | 150.2 | 0 | 0 | 0 | 113.3 | C1078 N1194 Y1195 | C1078-L1197 HydrophobicContact CB-CB 4.04Å; C1078-L1197 CarbonylContact O-C 3.38Å; C1078-L1197 VanDerWaalsContact O-O 3.08Å; N1194-L1197 WeakPolarHBondContact O-CB 3.37Å; N1194-L1197 PolarHBondContact O-N 3.01Å; N1194-L1197 VanDerWaalsContact O-N 3.14Å; Y1195-L1197 VanDerWaalsContact C-N 3.29Å; Y1195-L1197 PolarHBondContact O-N 2.99Å |
| 1198 | S | 80.1 | Confident | 81 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 3% | 0.028 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -64.9 | 143.5 | -179.6 | 42.8 | 0 | 0 | 0 | 0 | 112.3 | C1078 L1080 K1082 N1194 Y1195 | C1078-S1198 WeakPolarHBondContact O-CA 3.42Å; C1078-S1198 PolarHBondContact O-N 3.5Å; C1078-S1198 VanDerWaalsContact O-N 3.16Å; L1080-S1198 WeakPolarHBondContact O-CB 3.43Å; K1082-S1198 WeakPolarHBondContact CG-OG 3.42Å; K1082-S1198 PolarHBondContact NZ-O 3.28Å; N1194-S1198 PolarHBondContact O-N 3.46Å; Y1195-S1198 PolarHBondContact O-OG 2.85Å |
| 1199 | T | 79.2 | Confident | 80.9 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 140.8 | 177.2 | 51.1 | 0 | 0 | 0 | 0 | 110.1 | K1079 P1081 K1082 | K1079-T1199 PolarHBondContact O-OG1 2.71Å; P1081-T1199 VanDerWaalsContact CA-O 3.31Å; P1081-T1199 WeakPolarHBondContact CA-O 3.44Å; K1082-T1199 PolarHBondContact N-O 3.26Å |
| 1200 | N | 81.7 | Confident | 81 | Confident | 107 Ų | 107 | 61.4 Ų | 61.4 | 57% | 0.572 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 149.8 | 159.4 | -67.4 | 34.8 | 0 | 0 | 0 | 108.3 | K1082 E1083 | K1082-N1200 WeakPolarHBondContact CD-OD1 3.16Å; K1082-N1200 PolarHBondContact NZ-OD1 3.33Å; E1083-N1200 WeakPolarHBondContact OE1-CA 3.2Å |
| 1201 | S | 80.9 | Confident | 81.4 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -97 | 126.5 | 171.8 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | E1083 C1203 | E1083-S1201 VanDerWaalsContact CD-N 3.35Å; E1083-S1201 PolarHBondContact OE1-N 2.77Å; E1083-S1201 PolarHBondContact OE2-N 3.42Å; S1201-C1203 PolarHBondContact O-N 3.05Å; S1201-C1203 WeakPolarHBondContact OG-CB 3.49Å |
| 1202 | D | 78.4 | Confident | 82.2 | Confident | 111 Ų | 111 | 55.1 Ų | 55.1 | 59% | 0.594 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -72.8 | 13.7 | 174.1 | -62.1 | -38 | 0 | 0 | 0 | 112.8 | H1204 E1205 F1206 | D1202-H1204 PolarHBondContact O-N 3.19Å; D1202-H1204 VanDerWaalsContact O-N 3.08Å; D1202-E1205 WeakPolarHBondContact O-CB 3.49Å; D1202-E1205 PolarHBondContact O-N 2.93Å; D1202-F1206 HydrophobicContact CB-CE2 4.47Å; D1202-F1206 HydrophobicContact CB-CZ 4.04Å; D1202-F1206 WeakPolarHBondContact O-CE2 3.35Å; D1202-F1206 WeakPolarHBondContact O-CZ 3.26Å |
| 1203 | C | 81.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -49.7 | -35.5 | -177.9 | 63.3 | 0 | 0 | 0 | 0 | 114.7 | E959 L1004 V1005 S1201 E1205 F1206 | E959-C1203 PolarHBondContact OE1-SG 2.85Å; L1004-C1203 HydrophobicContact CD1-CB 4.23Å; L1004-C1203 HydrophobicContact CG-CB 4.04Å; V1005-C1203 HydrophobicContact CG1-CB 4.06Å; S1201-C1203 PolarHBondContact O-N 3.05Å; S1201-C1203 WeakPolarHBondContact OG-CB 3.49Å; C1203-E1205 PolarHBondContact O-N 3.24Å; C1203-F1206 PolarHBondContact O-N 3.2Å |
| 1204 | H | 79.8 | Confident | 84.3 | Confident | 87 Ų | 87 | 49 Ų | 49 | 40% | 0.403 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -55.6 | -30.3 | 175 | -84.4 | 56.6 | 0 | 0 | 0 | 112.6 | E959 K960 D1202 F1206 | E959-H1204 PolarHBondContact O-CE1 3.06Å; E959-H1204 PolarHBondContact O-NE2 3.06Å; E959-H1204 IonicContact OE1-CE1 3.23Å; E959-H1204 PolarHBondContact OE1-CE1 3.14Å; E959-H1204 IonicContact OE1-ND1 2.89Å; E959-H1204 PolarHBondContact OE1-ND1 3.44Å; K960-H1204 PolarHBondContact NZ-O 3.19Å; D1202-H1204 PolarHBondContact O-N 3.19Å; D1202-H1204 VanDerWaalsContact O-N 3.08Å; H1204-F1206 PolarHBondContact O-N 2.94Å |
| 1205 | E | 77.5 | Confident | 85 | Confident | 99 Ų | 99 | 48.6 Ų | 48.6 | 46% | 0.463 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -70.2 | -22.7 | 177.7 | -63.1 | -152.8 | 153.1 | 0 | 0 | 112.3 | F631 V632 R635 D1202 C1203 | F631-E1205 WeakPolarHBondContact CD1-O 3.48Å; F631-E1205 WeakPolarHBondContact CE1-O 3.44Å; V632-E1205 HydrophobicContact CG2-CB 4.22Å; R635-E1205 PolarHBondContact NH1-O 3.09Å; D1202-E1205 WeakPolarHBondContact O-CB 3.49Å; D1202-E1205 PolarHBondContact O-N 2.93Å; C1203-E1205 PolarHBondContact O-N 3.24Å |
| 1206 | F | 77.9 | Confident | 85.7 | Confident | 64 Ų | 64 | 46.3 Ų | 46.3 | 28% | 0.281 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -95.5 | -5.2 | -172.1 | -42.9 | -38.3 | 0 | 0 | 0 | 114.1 | I628 V632 D1202 C1203 H1204 | I628-F1206 HydrophobicContact CB-CD1 4.25Å; I628-F1206 HydrophobicContact CB-CE1 4.5Å; I628-F1206 HydrophobicContact CB-CG 4.37Å; I628-F1206 HydrophobicContact CD1-CD2 4.41Å; I628-F1206 HydrophobicContact CG1-CD2 4.29Å; I628-F1206 HydrophobicContact CG1-CG 4.29Å; I628-F1206 HydrophobicContact CG2-CD1 3.4Å; I628-F1206 VanDerWaalsContact CG2-CD1 3.4Å; I628-F1206 HydrophobicContact CG2-CD2 3.93Å; I628-F1206 HydrophobicContact CG2-CE1 3.25Å; I628-F1206 HydrophobicContact CG2-CE2 3.78Å; I628-F1206 HydrophobicContact CG2-CG 3.78Å; I628-F1206 HydrophobicContact CG2-CZ 3.46Å; I628-F1206 VanDerWaalsContact CG2-CZ 3.46Å; V632-F1206 HydrophobicContact CG2-CD1 3.81Å; V632-F1206 HydrophobicContact CG2-CE1 3.75Å; D1202-F1206 HydrophobicContact CB-CE2 4.47Å; D1202-F1206 HydrophobicContact CB-CZ 4.04Å; D1202-F1206 WeakPolarHBondContact O-CE2 3.35Å; D1202-F1206 WeakPolarHBondContact O-CZ 3.26Å; C1203-F1206 PolarHBondContact O-N 3.2Å; H1204-F1206 PolarHBondContact O-N 2.94Å |
| 1207 | I | 87.8 | Confident | 86.5 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | -94 | 128 | 177.4 | -56.6 | 163.7 | 0 | 0 | 0 | 109.8 | R635 N956 E959 K960 L1004 E1212 | R635-I1207 PolarHBondContact NH2-O 3.46Å; N956-I1207 HydrophobicContact CB-CD1 4.33Å; N956-I1207 HydrophobicContact CB-CG1 4.33Å; N956-I1207 HydrophobicContact CB-CG2 3.98Å; E959-I1207 HydrophobicContact CB-CD1 3.89Å; E959-I1207 HydrophobicContact CG-CD1 3.8Å; K960-I1207 HydrophobicContact CB-CB 4.25Å; K960-I1207 HydrophobicContact CB-CD1 4.24Å; K960-I1207 HydrophobicContact CB-CG2 3.82Å; K960-I1207 HydrophobicContact CD-CB 4.24Å; K960-I1207 HydrophobicContact CD-CG2 4.49Å; K960-I1207 WeakPolarHBondContact CE-O 3.47Å; K960-I1207 HydrophobicContact CG-CB 4.26Å; K960-I1207 HydrophobicContact CG-CG2 3.97Å; L1004-I1207 HydrophobicContact CD2-CD1 4.27Å; I1207-E1212 HydrophobicContact CG2-CG 4.35Å | ||
| 1208 | E | 87.4 | Confident | 87.1 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | trans | -102.9 | 113.8 | 166.6 | -163.3 | -165.4 | 120.5 | 0 | 0 | 109.4 | F631 E642 H646 G1210 Y1211 E1212 | F631-E1208 HydrophobicContact CE1-CB 4.35Å; F631-E1208 HydrophobicContact CE2-CB 3.56Å; F631-E1208 HydrophobicContact CE2-CG 3.73Å; F631-E1208 WeakPolarHBondContact CE2-OE2 3.31Å; F631-E1208 HydrophobicContact CZ-CB 3.46Å; F631-E1208 VanDerWaalsContact CZ-CB 3.46Å; F631-E1208 HydrophobicContact CZ-CG 3.77Å; E642-E1208 HydrophobicContact CG-CG 4.08Å; H646-E1208 IonicContact CE1-OE1 2.74Å; H646-E1208 IonicContact NE2-OE1 3.09Å; E1208-G1210 PolarHBondContact O-N 3.4Å; E1208-Y1211 PolarHBondContact OE1-N 3.41Å; E1208-E1212 PolarHBondContact O-N 3.48Å; E1208-E1212 VanDerWaalsContact O-N 3.15Å | ||
| 1209 | L | 91.3 | Very high | 87.7 | Confident | 17 Ų | 17 | 36.2 Ų | 36.2 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.8 | -33.6 | -172.6 | -168.9 | 63.2 | 0 | 0 | 0 | 112.3 | I917 I957 K960 L961 E1212 F1213 | I917-L1209 HydrophobicContact CD1-CB 4.1Å; I917-L1209 HydrophobicContact CD1-CD2 3.84Å; I917-L1209 HydrophobicContact CD1-CG 3.74Å; I917-L1209 HydrophobicContact CG1-CD2 4.33Å; I957-L1209 HydrophobicContact CB-CD1 4.45Å; I957-L1209 HydrophobicContact CG1-CD1 4.1Å; I957-L1209 HydrophobicContact CG2-CD1 4.46Å; K960-L1209 HydrophobicContact CB-CD1 4.31Å; K960-L1209 HydrophobicContact CG-CB 4.23Å; K960-L1209 HydrophobicContact CG-CD1 4.33Å; L961-L1209 HydrophobicContact CD2-CD2 3.65Å; L961-L1209 HydrophobicContact CG-CD1 4.26Å; L961-L1209 HydrophobicContact CG-CD2 4.16Å; L1209-E1212 PolarHBondContact O-N 2.97Å; L1209-F1213 HydrophobicContact CD1-CD2 4.04Å; L1209-F1213 HydrophobicContact CD1-CE2 3.64Å; L1209-F1213 HydrophobicContact CD1-CZ 4.46Å; L1209-F1213 HydrophobicContact CD2-CE2 4.06Å; L1209-F1213 HydrophobicContact CG-CD2 3.82Å; L1209-F1213 HydrophobicContact CG-CE2 3.63Å; L1209-F1213 VanDerWaalsContact O-CD2 3.28Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.37Å; L1209-F1213 PolarHBondContact O-N 3.38Å |
| 1210 | G | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.4 | -52.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1208 E1212 F1213 A1214 | E1208-G1210 PolarHBondContact O-N 3.4Å; G1210-E1212 PolarHBondContact O-N 3.07Å; G1210-F1213 PolarHBondContact O-N 3.18Å; G1210-A1214 WeakPolarHBondContact O-CB 3.32Å; G1210-A1214 PolarHBondContact O-N 2.99Å |
| 1211 | Y | 91.7 | Very high | 88.9 | Confident | 43 Ų | 43 | 30.7 Ų | 30.7 | 17% | 0.169 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53.2 | -48.4 | 172.6 | 178.5 | -92.8 | 0 | 0 | 0 | 113.2 | D648 V912 I914 E1208 F1213 A1214 K1215 | D648-Y1211 HydrophobicContact CB-CD2 4.14Å; D648-Y1211 HydrophobicContact CB-CE2 4.34Å; D648-Y1211 VanDerWaalsContact OD2-CE2 3.23Å; D648-Y1211 WeakPolarHBondContact OD2-CE2 3.46Å; V912-Y1211 HydrophobicContact CB-CE2 4.37Å; V912-Y1211 HydrophobicContact CG2-CE2 4.1Å; I914-Y1211 HydrophobicContact CD1-CD2 4.02Å; E1208-Y1211 PolarHBondContact OE1-N 3.41Å; Y1211-F1213 PolarHBondContact O-N 3.49Å; Y1211-A1214 PolarHBondContact O-N 3.24Å; Y1211-K1215 HydrophobicContact CD1-CD 4.39Å; Y1211-K1215 HydrophobicContact CE1-CB 4.46Å; Y1211-K1215 HydrophobicContact CE1-CD 3.55Å; Y1211-K1215 VanDerWaalsContact O-CB 3.27Å; Y1211-K1215 WeakPolarHBondContact O-CB 3.14Å; Y1211-K1215 PolarHBondContact O-N 3.31Å |
| 1212 | E | 94.5 | Very high | 89.3 | Confident | 13 Ų | 13 | 33.8 Ų | 33.8 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.2 | -35.7 | -177.3 | -67.1 | -64.7 | 176.2 | 0 | 0 | 112.6 | C953 N956 I957 I1207 E1208 L1209 G1210 K1215 L1216 | C953-E1212 PolarHBondContact SG-OE2 3.13Å; N956-E1212 HydrophobicContact CB-CG 3.83Å; N956-E1212 PolarHBondContact ND2-OE1 3.27Å; I957-E1212 HydrophobicContact CD1-CB 4.29Å; I957-E1212 HydrophobicContact CG1-CB 3.94Å; I1207-E1212 HydrophobicContact CG2-CG 4.35Å; E1208-E1212 PolarHBondContact O-N 3.48Å; E1208-E1212 VanDerWaalsContact O-N 3.15Å; L1209-E1212 PolarHBondContact O-N 2.97Å; G1210-E1212 PolarHBondContact O-N 3.07Å; E1212-K1215 IonicContact OE1-NZ 2.67Å; E1212-K1215 IonicContact OE2-NZ 2.92Å; E1212-K1215 PolarHBondContact OE2-NZ 3.13Å; E1212-L1216 WeakPolarHBondContact O-CB 3.26Å; E1212-L1216 PolarHBondContact O-N 2.8Å |
| 1213 | F | 96.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 170.8 | -82.2 | -60.8 | 0 | 0 | 0 | 112.8 | I917 Y920 L923 K924 I957 L961 L1209 G1210 Y1211 L1216 T1217 | I917-F1213 HydrophobicContact CD1-CD2 3.78Å; I917-F1213 HydrophobicContact CD1-CE2 4.15Å; Y920-F1213 HydrophobicContact CD1-CB 3.74Å; Y920-F1213 HydrophobicContact CD1-CG 4.48Å; Y920-F1213 HydrophobicContact CD2-CB 3.73Å; Y920-F1213 HydrophobicContact CD2-CG 4.41Å; Y920-F1213 HydrophobicContact CE1-CB 4.12Å; Y920-F1213 HydrophobicContact CE2-CB 4.12Å; Y920-F1213 HydrophobicContact CG-CB 3.53Å; Y920-F1213 HydrophobicContact CG-CD2 4.42Å; Y920-F1213 HydrophobicContact CG-CG 4.02Å; L923-F1213 HydrophobicContact CD2-CD1 4.06Å; L923-F1213 HydrophobicContact CG-CD1 4.31Å; K924-F1213 HydrophobicContact CB-CE1 4.23Å; K924-F1213 HydrophobicContact CB-CE2 4.41Å; K924-F1213 HydrophobicContact CB-CZ 3.69Å; K924-F1213 HydrophobicContact CG-CZ 4.04Å; I957-F1213 HydrophobicContact CD1-CD1 3.95Å; I957-F1213 HydrophobicContact CD1-CE1 3.94Å; I957-F1213 HydrophobicContact CD1-CG 4.43Å; I957-F1213 HydrophobicContact CD1-CZ 4.42Å; I957-F1213 HydrophobicContact CG1-CE1 4.49Å; I957-F1213 HydrophobicContact CG1-CZ 4.49Å; I957-F1213 HydrophobicContact CG2-CE1 4.2Å; I957-F1213 HydrophobicContact CG2-CZ 3.86Å; L961-F1213 HydrophobicContact CD1-CZ 4.39Å; L1209-F1213 HydrophobicContact CD1-CD2 4.04Å; L1209-F1213 HydrophobicContact CD1-CE2 3.64Å; L1209-F1213 HydrophobicContact CD1-CZ 4.46Å; L1209-F1213 HydrophobicContact CD2-CE2 4.06Å; L1209-F1213 HydrophobicContact CG-CD2 3.82Å; L1209-F1213 HydrophobicContact CG-CE2 3.63Å; L1209-F1213 VanDerWaalsContact O-CD2 3.28Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.37Å; L1209-F1213 PolarHBondContact O-N 3.38Å; G1210-F1213 PolarHBondContact O-N 3.18Å; Y1211-F1213 PolarHBondContact O-N 3.49Å; F1213-L1216 HydrophobicContact CD1-CD2 4.48Å; F1213-L1216 PolarHBondContact O-N 2.78Å; F1213-T1217 WeakPolarHBondContact O-CB 3.36Å; F1213-T1217 PolarHBondContact O-N 3.29Å; F1213-T1217 PolarHBondContact O-OG1 3.12Å |
| 1214 | A | 94.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V912 I914 Y920 G1210 Y1211 T1217 Q1218 | V912-A1214 HydrophobicContact CG1-CB 3.72Å; I914-A1214 HydrophobicContact CB-CB 4.42Å; I914-A1214 HydrophobicContact CG1-CB 3.88Å; Y920-A1214 WeakPolarHBondContact OH-CB 3.43Å; G1210-A1214 WeakPolarHBondContact O-CB 3.32Å; G1210-A1214 PolarHBondContact O-N 2.99Å; Y1211-A1214 PolarHBondContact O-N 3.24Å; A1214-T1217 WeakPolarHBondContact O-CB 3.44Å; A1214-T1217 PolarHBondContact O-N 2.84Å; A1214-Q1218 WeakPolarHBondContact O-CG 3.49Å; A1214-Q1218 PolarHBondContact O-N 3.36Å |
| 1215 | K | 93.9 | Very high | 90.4 | Very high | 34 Ų | 34 | 30.4 Ų | 30.4 | 15% | 0.148 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -43 | 177 | -178.8 | 176.8 | 147.8 | -139.6 | 0 | 112.1 | C953 Y1211 E1212 T1217 Q1218 L1219 | C953-K1215 WeakPolarHBondContact SG-CE 3.43Å; C953-K1215 PolarHBondContact SG-NZ 2.92Å; Y1211-K1215 HydrophobicContact CD1-CD 4.39Å; Y1211-K1215 HydrophobicContact CE1-CB 4.46Å; Y1211-K1215 HydrophobicContact CE1-CD 3.55Å; Y1211-K1215 VanDerWaalsContact O-CB 3.27Å; Y1211-K1215 WeakPolarHBondContact O-CB 3.14Å; Y1211-K1215 PolarHBondContact O-N 3.31Å; E1212-K1215 IonicContact OE1-NZ 2.67Å; E1212-K1215 IonicContact OE2-NZ 2.92Å; E1212-K1215 PolarHBondContact OE2-NZ 3.13Å; K1215-T1217 VanDerWaalsContact C-N 3.33Å; K1215-T1217 PolarHBondContact O-N 3.32Å; K1215-Q1218 PolarHBondContact O-N 3.26Å; K1215-L1219 HydrophobicContact CG-CD1 4.49Å; K1215-L1219 WeakPolarHBondContact O-CG 3.36Å; K1215-L1219 PolarHBondContact O-N 2.96Å |
| 1216 | L | 96 | Very high | 90.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | 172.5 | -179.8 | 62.3 | 0 | 0 | 0 | 111.1 | I927 L950 C953 F954 I957 E1212 F1213 Q1218 L1219 L1220 | I927-L1216 HydrophobicContact CD1-CD2 3.83Å; I927-L1216 HydrophobicContact CG1-CD2 4.01Å; L950-L1216 HydrophobicContact CD1-CD1 3.74Å; C953-L1216 HydrophobicContact CB-CB 4.16Å; C953-L1216 HydrophobicContact CB-CD1 4.28Å; F954-L1216 HydrophobicContact CE2-CD1 4.35Å; I957-L1216 HydrophobicContact CD1-CB 4.39Å; I957-L1216 HydrophobicContact CD1-CD2 3.63Å; E1212-L1216 WeakPolarHBondContact O-CB 3.26Å; E1212-L1216 PolarHBondContact O-N 2.8Å; F1213-L1216 HydrophobicContact CD1-CD2 4.48Å; F1213-L1216 PolarHBondContact O-N 2.78Å; L1216-Q1218 PolarHBondContact O-N 2.81Å; L1216-L1219 PolarHBondContact O-N 3.04Å; L1216-L1220 HydrophobicContact CD1-CD1 3.88Å; L1216-L1220 HydrophobicContact CD1-CD2 4.43Å; L1216-L1220 HydrophobicContact CD1-CG 3.92Å; L1216-L1220 HydrophobicContact CD2-CD1 4.39Å; L1216-L1220 HydrophobicContact CG-CD1 3.78Å; L1216-L1220 HydrophobicContact CG-CG 4.2Å; L1216-L1220 WeakPolarHBondContact O-CB 3.35Å; L1216-L1220 VanDerWaalsContact O-CG 3.27Å; L1216-L1220 WeakPolarHBondContact O-CG 3.33Å; L1216-L1220 PolarHBondContact O-N 3.47Å |
| 1217 | T | 94.5 | Very high | 91 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.025 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60 | -45.1 | 175.9 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | L923 F1213 A1214 K1215 L1219 L1220 N1221 L1240 I1243 | L923-T1217 WeakPolarHBondContact CD2-OG1 3.43Å; F1213-T1217 WeakPolarHBondContact O-CB 3.36Å; F1213-T1217 PolarHBondContact O-N 3.29Å; F1213-T1217 PolarHBondContact O-OG1 3.12Å; A1214-T1217 WeakPolarHBondContact O-CB 3.44Å; A1214-T1217 PolarHBondContact O-N 2.84Å; K1215-T1217 VanDerWaalsContact C-N 3.33Å; K1215-T1217 PolarHBondContact O-N 3.32Å; T1217-L1219 PolarHBondContact O-N 2.74Å; T1217-L1220 PolarHBondContact O-N 3.03Å; T1217-N1221 WeakPolarHBondContact O-CB 3.24Å; T1217-N1221 PolarHBondContact O-N 3.49Å; T1217-N1221 PolarHBondContact O-ND2 3.48Å; T1217-L1240 HydrophobicContact CG2-CD2 3.79Å; T1217-I1243 HydrophobicContact CG2-CB 4.23Å; T1217-I1243 HydrophobicContact CG2-CD1 4.33Å; T1217-I1243 HydrophobicContact CG2-CG2 3.71Å |
| 1218 | Q | 91.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 23% | 0.234 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 175.6 | -72.1 | -175.9 | -3.9 | 0 | 0 | 112.1 | A1214 K1215 L1216 H1222 | A1214-Q1218 WeakPolarHBondContact O-CG 3.49Å; A1214-Q1218 PolarHBondContact O-N 3.36Å; K1215-Q1218 PolarHBondContact O-N 3.26Å; L1216-Q1218 PolarHBondContact O-N 2.81Å; Q1218-H1222 PolarHBondContact O-N 3.05Å; Q1218-H1222 VanDerWaalsContact O-N 3.16Å |
| 1219 | L | 93.2 | Very high | 90.7 | Very high | 18 Ų | 18 | 37 Ų | 37 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -49 | 177.5 | -71.5 | 173.1 | 0 | 0 | 0 | 111.5 | E949 K1215 L1216 T1217 H1222 Y1223 | E949-L1219 HydrophobicContact CB-CD1 4.26Å; E949-L1219 HydrophobicContact CB-CD2 4.34Å; K1215-L1219 HydrophobicContact CG-CD1 4.49Å; K1215-L1219 WeakPolarHBondContact O-CG 3.36Å; K1215-L1219 PolarHBondContact O-N 2.96Å; L1216-L1219 PolarHBondContact O-N 3.04Å; T1217-L1219 PolarHBondContact O-N 2.74Å; L1219-H1222 WeakPolarHBondContact O-CB 3.46Å; L1219-H1222 PolarHBondContact O-N 3.33Å; L1219-H1222 VanDerWaalsContact O-N 3.15Å; L1219-Y1223 HydrophobicContact CB-CD2 4.37Å; L1219-Y1223 HydrophobicContact CB-CE2 3.91Å; L1219-Y1223 HydrophobicContact CD2-CE2 4.1Å; L1219-Y1223 WeakPolarHBondContact O-CD2 3.38Å; L1219-Y1223 VanDerWaalsContact O-CG 3.32Å; L1219-Y1223 PolarHBondContact O-N 3.28Å |
| 1220 | L | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64 | -42 | -180 | -67.6 | 177.4 | 0 | 0 | 0 | 111.7 | L923 L934 L938 L950 L1216 T1217 H1222 Y1223 V1224 L1236 L1240 | L923-L1220 HydrophobicContact CD1-CD1 4.36Å; L934-L1220 HydrophobicContact CD1-CD2 4.23Å; L934-L1220 HydrophobicContact CD2-CD1 4.21Å; L934-L1220 HydrophobicContact CD2-CD2 3.95Å; L934-L1220 HydrophobicContact CG-CD2 4.46Å; L938-L1220 HydrophobicContact CD1-CD2 3.75Å; L950-L1220 HydrophobicContact CD1-CD2 4.28Å; L1216-L1220 HydrophobicContact CD1-CD1 3.88Å; L1216-L1220 HydrophobicContact CD1-CD2 4.43Å; L1216-L1220 HydrophobicContact CD1-CG 3.92Å; L1216-L1220 HydrophobicContact CD2-CD1 4.39Å; L1216-L1220 HydrophobicContact CG-CD1 3.78Å; L1216-L1220 HydrophobicContact CG-CG 4.2Å; L1216-L1220 WeakPolarHBondContact O-CB 3.35Å; L1216-L1220 VanDerWaalsContact O-CG 3.27Å; L1216-L1220 WeakPolarHBondContact O-CG 3.33Å; L1216-L1220 PolarHBondContact O-N 3.47Å; T1217-L1220 PolarHBondContact O-N 3.03Å; L1220-H1222 VanDerWaalsContact C-N 3.27Å; L1220-H1222 PolarHBondContact O-N 3.42Å; L1220-Y1223 CarbonylContact O-C 3.49Å; L1220-Y1223 PolarHBondContact O-N 2.84Å; L1220-V1224 WeakPolarHBondContact O-CB 3.2Å; L1220-V1224 VanDerWaalsContact O-CG2 3.31Å; L1220-V1224 WeakPolarHBondContact O-CG2 3.24Å; L1220-V1224 PolarHBondContact O-N 3.13Å; L1220-L1236 HydrophobicContact CD1-CD1 4.12Å; L1220-L1240 HydrophobicContact CB-CD1 3.9Å; L1220-L1240 HydrophobicContact CB-CD2 3.98Å |
| 1221 | N | 91.8 | Very high | 90.1 | Very high | 64 Ų | 64 | 43.1 Ų | 43.1 | 34% | 0.342 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.9 | -40 | 172.4 | -91.6 | -38.5 | 0 | 0 | 0 | 112.4 | T1217 Y1223 L1240 | T1217-N1221 WeakPolarHBondContact O-CB 3.24Å; T1217-N1221 PolarHBondContact O-N 3.49Å; T1217-N1221 PolarHBondContact O-ND2 3.48Å; N1221-Y1223 VanDerWaalsContact C-N 3.35Å; N1221-Y1223 PolarHBondContact O-N 3.36Å; N1221-L1240 WeakPolarHBondContact OD1-CB 3.33Å |
| 1222 | H | 89.6 | Confident | 89.8 | Confident | 83 Ų | 83 | 45.4 Ų | 45.4 | 38% | 0.384 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69 | -30.2 | 175.9 | -174.6 | 81.7 | 0 | 0 | 0 | 113.4 | Q1218 L1219 L1220 S1225 K1226 | Q1218-H1222 PolarHBondContact O-N 3.05Å; Q1218-H1222 VanDerWaalsContact O-N 3.16Å; L1219-H1222 WeakPolarHBondContact O-CB 3.46Å; L1219-H1222 PolarHBondContact O-N 3.33Å; L1219-H1222 VanDerWaalsContact O-N 3.15Å; L1220-H1222 VanDerWaalsContact C-N 3.27Å; L1220-H1222 PolarHBondContact O-N 3.42Å; H1222-S1225 PolarHBondContact O-OG 3.06Å; H1222-K1226 PolarHBondContact CD2-NZ 2.88Å; H1222-K1226 PolarHBondContact NE2-NZ 3.32Å |
| 1223 | Y | 89.6 | Confident | 89.6 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -95.4 | -25.1 | -177.4 | -56.4 | -44.9 | 0 | 0 | 0 | 115.1 | L938 L942 Q946 L1219 L1220 N1221 S1225 K1226 I1227 | L938-Y1223 VanDerWaalsContact CD2-CB 3.4Å; L938-Y1223 HydrophobicContact CD2-CD2 4.22Å; L938-Y1223 HydrophobicContact CD2-CG 4.08Å; L942-Y1223 HydrophobicContact CD1-CE2 4.41Å; L942-Y1223 HydrophobicContact CD2-CD1 3.38Å; L942-Y1223 HydrophobicContact CD2-CD2 3.97Å; L942-Y1223 HydrophobicContact CD2-CE1 3.32Å; L942-Y1223 HydrophobicContact CD2-CE2 3.92Å; L942-Y1223 HydrophobicContact CD2-CG 3.75Å; Q946-Y1223 HydrophobicContact CB-CE1 4.41Å; Q946-Y1223 VanDerWaalsContact CB-OH 3.24Å; Q946-Y1223 WeakPolarHBondContact CB-OH 3.33Å; Q946-Y1223 HydrophobicContact CG-CE1 4.33Å; Q946-Y1223 VanDerWaalsContact CG-OH 3.25Å; Q946-Y1223 WeakPolarHBondContact CG-OH 3.4Å; L1219-Y1223 HydrophobicContact CB-CD2 4.37Å; L1219-Y1223 HydrophobicContact CB-CE2 3.91Å; L1219-Y1223 HydrophobicContact CD2-CE2 4.1Å; L1219-Y1223 WeakPolarHBondContact O-CD2 3.38Å; L1219-Y1223 VanDerWaalsContact O-CG 3.32Å; L1219-Y1223 PolarHBondContact O-N 3.28Å; L1220-Y1223 CarbonylContact O-C 3.49Å; L1220-Y1223 PolarHBondContact O-N 2.84Å; N1221-Y1223 VanDerWaalsContact C-N 3.35Å; N1221-Y1223 PolarHBondContact O-N 3.36Å; Y1223-S1225 PolarHBondContact O-N 3.34Å; Y1223-K1226 WeakPolarHBondContact O-CA 3.3Å; Y1223-K1226 WeakPolarHBondContact O-CB 3.42Å; Y1223-K1226 PolarHBondContact O-N 3Å; Y1223-I1227 PolarHBondContact O-N 2.9Å |
| 1224 | V | 87.5 | Confident | 89.3 | Confident | 24 Ų | 24 | 47 Ų | 47 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -35.1 | -179.4 | 160.9 | 0 | 0 | 0 | 0 | 111.6 | L1220 K1226 I1227 L1236 P1237 L1240 | L1220-V1224 WeakPolarHBondContact O-CB 3.2Å; L1220-V1224 VanDerWaalsContact O-CG2 3.31Å; L1220-V1224 WeakPolarHBondContact O-CG2 3.24Å; L1220-V1224 PolarHBondContact O-N 3.13Å; V1224-K1226 PolarHBondContact O-N 3.42Å; V1224-K1226 VanDerWaalsContact O-N 3.08Å; V1224-I1227 HydrophobicContact CG2-CD1 4.12Å; V1224-I1227 PolarHBondContact O-N 3Å; V1224-L1236 HydrophobicContact CG2-CD2 3.64Å; V1224-L1236 HydrophobicContact CG2-CG 4.03Å; V1224-P1237 HydrophobicContact CG1-CB 4.49Å; V1224-P1237 HydrophobicContact CG1-CG 4.25Å; V1224-L1240 HydrophobicContact CB-CD1 4.34Å; V1224-L1240 HydrophobicContact CG2-CD1 3.64Å |
| 1225 | S | 84.3 | Confident | 89.1 | Confident | 100 Ų | 100 | 51.6 Ų | 51.6 | 70% | 0.699 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.7 | 171.3 | 64.5 | 0 | 0 | 0 | 0 | 115.1 | H1222 Y1223 | H1222-S1225 PolarHBondContact O-OG 3.06Å; Y1223-S1225 PolarHBondContact O-N 3.34Å |
| 1226 | K | 82.6 | Confident | 89.1 | Confident | 89 Ų | 89 | 50 Ų | 50 | 39% | 0.387 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -20.2 | -175.1 | -55.1 | 178.3 | -169.5 | 172.4 | 0 | 113.4 | K941 H1222 Y1223 V1224 | K941-K1226 WeakPolarHBondContact CD-O 3.41Å; K941-K1226 WeakPolarHBondContact CE-O 3.37Å; K941-K1226 PolarHBondContact NZ-O 3.15Å; H1222-K1226 PolarHBondContact CD2-NZ 2.88Å; H1222-K1226 PolarHBondContact NE2-NZ 3.32Å; Y1223-K1226 WeakPolarHBondContact O-CA 3.3Å; Y1223-K1226 WeakPolarHBondContact O-CB 3.42Å; Y1223-K1226 PolarHBondContact O-N 3Å; V1224-K1226 PolarHBondContact O-N 3.42Å; V1224-K1226 VanDerWaalsContact O-N 3.08Å |
| 1227 | I | 86.3 | Confident | 88.9 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -87.5 | 156.1 | 179.9 | 66.4 | -172.2 | 0 | 0 | 0 | 111.5 | L938 K941 Y1223 V1224 I1233 | L938-I1227 HydrophobicContact CD2-CD1 4.44Å; L938-I1227 HydrophobicContact CD2-CG2 3.58Å; L938-I1227 HydrophobicContact CG-CG2 4.26Å; K941-I1227 HydrophobicContact CD-CG2 4.43Å; Y1223-I1227 PolarHBondContact O-N 2.9Å; V1224-I1227 HydrophobicContact CG2-CD1 4.12Å; V1224-I1227 PolarHBondContact O-N 3Å; I1227-I1233 HydrophobicContact CD1-CD1 3.79Å |
| 1228 | N | 83.8 | Confident | 88.9 | Confident | 118 Ų | 118 | 56.7 Ų | 56.7 | 63% | 0.631 | 31% | 0.311 | S | S | * | . | trans | -86.8 | 119.7 | 167.6 | -61.7 | 21.4 | 0 | 0 | 0 | 105.3 | K941 T1230 | K941-N1228 PolarHBondContact NZ-OD1 3.39Å; N1228-T1230 PolarHBondContact O-N 3.15Å | ||
| 1229 | I | 84.1 | Confident | 89 | Confident | 95 Ų | 95 | 55.3 Ų | 55.3 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | trans | -69.4 | 107.6 | -179.7 | -62 | 158.7 | 0 | 0 | 0 | 107.8 | I1233 A1234 P1237 | I1229-I1233 HydrophobicContact CG2-CG1 4.46Å; I1229-A1234 HydrophobicContact CG2-CB 4.38Å; I1229-P1237 HydrophobicContact CD1-CG 3.67Å; I1229-P1237 HydrophobicContact CG1-CG 4.23Å | ||
| 1230 | T | 86.8 | Confident | 89 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | trans | -86.3 | 159.7 | 174.1 | 71.9 | 0 | 0 | 0 | 0 | 110.3 | N937 N1228 Q1232 I1233 A1234 | N937-T1230 VanDerWaalsContact OD1-CG2 3.31Å; N937-T1230 WeakPolarHBondContact OD1-CG2 3.41Å; N1228-T1230 PolarHBondContact O-N 3.15Å; T1230-Q1232 PolarHBondContact O-N 3.25Å; T1230-Q1232 VanDerWaalsContact O-N 3.1Å; T1230-Q1232 PolarHBondContact OG1-OE1 2.76Å; T1230-I1233 CarbonylContact O-C 3.59Å; T1230-I1233 WeakPolarHBondContact O-CG1 3.33Å; T1230-I1233 PolarHBondContact O-N 3.4Å; T1230-A1234 PolarHBondContact O-N 3.5Å | ||
| 1231 | P | 85.2 | Confident | 88.9 | Confident | 114 Ų | 114 | 59.3 Ų | 59.3 | 74% | 0.74 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -55.7 | -30.3 | -179.3 | -27.7 | 36.4 | 0 | 0 | 0 | 114.3 | I1233 | P1231-I1233 VanDerWaalsContact C-N 3.33Å; P1231-I1233 PolarHBondContact O-N 3.15Å |
| 1232 | Q | 85.8 | Confident | 89 | Confident | 90 Ų | 90 | 59.5 Ų | 59.5 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -62.4 | -39.7 | 176.8 | -59.4 | 81.3 | 4.4 | 0 | 0 | 111.9 | K930 D933 T1230 | K930-Q1232 VanDerWaalsContact CD-O 3.27Å; K930-Q1232 WeakPolarHBondContact CD-O 3.21Å; K930-Q1232 VanDerWaalsContact CE-O 3.26Å; K930-Q1232 WeakPolarHBondContact CE-O 3.41Å; K930-Q1232 PolarHBondContact NZ-O 3.36Å; D933-Q1232 HydrophobicContact CB-CB 4.1Å; T1230-Q1232 PolarHBondContact O-N 3.25Å; T1230-Q1232 VanDerWaalsContact O-N 3.1Å; T1230-Q1232 PolarHBondContact OG1-OE1 2.76Å |
| 1233 | I | 89.6 | Confident | 89.2 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -104.8 | 14.4 | -174.3 | 65.9 | 177.3 | 0 | 0 | 0 | 113.5 | F926 D933 L934 N937 I1227 I1229 T1230 P1231 E1235 L1236 | F926-I1233 HydrophobicContact CZ-CB 4.13Å; F926-I1233 HydrophobicContact CZ-CG2 4.16Å; D933-I1233 HydrophobicContact CB-CG2 4.35Å; L934-I1233 HydrophobicContact CB-CG2 4.5Å; N937-I1233 HydrophobicContact CB-CD1 4.08Å; I1227-I1233 HydrophobicContact CD1-CD1 3.79Å; I1229-I1233 HydrophobicContact CG2-CG1 4.46Å; T1230-I1233 CarbonylContact O-C 3.59Å; T1230-I1233 WeakPolarHBondContact O-CG1 3.33Å; T1230-I1233 PolarHBondContact O-N 3.4Å; P1231-I1233 VanDerWaalsContact C-N 3.33Å; P1231-I1233 PolarHBondContact O-N 3.15Å; I1233-E1235 VanDerWaalsContact C-N 3.26Å; I1233-E1235 PolarHBondContact O-N 3.27Å; I1233-L1236 WeakPolarHBondContact O-CB 3.31Å; I1233-L1236 PolarHBondContact O-N 3.45Å; I1233-L1236 VanDerWaalsContact O-N 3.07Å |
| 1234 | A | 88.9 | Confident | 89.2 | Confident | 49 Ų | 49 | 57.1 Ų | 57.1 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1229 T1230 L1236 P1237 | I1229-A1234 HydrophobicContact CG2-CB 4.38Å; T1230-A1234 PolarHBondContact O-N 3.5Å; A1234-L1236 VanDerWaalsContact C-N 3.34Å; A1234-P1237 WeakPolarHBondContact O-CD 3.45Å |
| 1235 | E | 91.5 | Very high | 89.4 | Confident | 98 Ų | 98 | 60.4 Ų | 60.4 | 46% | 0.458 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -21.9 | 177.1 | -67.2 | 143.4 | -145.1 | 0 | 0 | 113.3 | F926 K930 I1233 D1238 L1239 | F926-E1235 HydrophobicContact CD2-CB 4.29Å; F926-E1235 HydrophobicContact CE2-CB 4.36Å; K930-E1235 IonicContact NZ-OE1 2.71Å; K930-E1235 PolarHBondContact NZ-OE1 3.03Å; K930-E1235 IonicContact NZ-OE2 3.82Å; K930-E1235 PolarHBondContact NZ-OE2 2.85Å; I1233-E1235 VanDerWaalsContact C-N 3.26Å; I1233-E1235 PolarHBondContact O-N 3.27Å; E1235-D1238 PolarHBondContact O-N 3.27Å; E1235-L1239 WeakPolarHBondContact O-CG 3.45Å; E1235-L1239 PolarHBondContact O-N 3.31Å; E1235-L1239 VanDerWaalsContact O-N 3.13Å |
| 1236 | L | 93.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | -170.3 | 178.2 | 62.7 | 0 | 0 | 0 | 114.2 | L923 F926 L934 L1220 V1224 I1233 A1234 D1238 L1239 L1240 | L923-L1236 HydrophobicContact CD1-CD1 4.34Å; F926-L1236 HydrophobicContact CD1-CD1 4.36Å; F926-L1236 HydrophobicContact CE1-CB 4.31Å; F926-L1236 HydrophobicContact CE1-CD1 4.07Å; F926-L1236 HydrophobicContact CE2-CB 4.11Å; F926-L1236 HydrophobicContact CZ-CB 3.81Å; F926-L1236 HydrophobicContact CZ-CD1 4.43Å; F926-L1236 HydrophobicContact CZ-CG 4.49Å; L934-L1236 HydrophobicContact CD1-CD2 3.63Å; L1220-L1236 HydrophobicContact CD1-CD1 4.12Å; V1224-L1236 HydrophobicContact CG2-CD2 3.64Å; V1224-L1236 HydrophobicContact CG2-CG 4.03Å; I1233-L1236 WeakPolarHBondContact O-CB 3.31Å; I1233-L1236 PolarHBondContact O-N 3.45Å; I1233-L1236 VanDerWaalsContact O-N 3.07Å; A1234-L1236 VanDerWaalsContact C-N 3.34Å; L1236-D1238 VanDerWaalsContact C-N 3.32Å; L1236-D1238 PolarHBondContact O-N 3.46Å; L1236-L1239 PolarHBondContact O-N 3.15Å; L1236-L1240 HydrophobicContact CD1-CD1 3.93Å; L1236-L1240 HydrophobicContact CD1-CD2 4.34Å; L1236-L1240 HydrophobicContact CD1-CG 3.91Å; L1236-L1240 HydrophobicContact CG-CD1 3.94Å; L1236-L1240 HydrophobicContact CG-CG 4.34Å; L1236-L1240 VanDerWaalsContact O-CG 3.31Å; L1236-L1240 WeakPolarHBondContact O-CG 3.33Å; L1236-L1240 PolarHBondContact O-N 3.39Å |
| 1237 | P | 92.7 | Very high | 89.9 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 179.1 | -21.3 | 33.9 | 0 | 0 | 0 | 112.6 | V1224 I1229 A1234 L1240 Q1241 | V1224-P1237 HydrophobicContact CG1-CB 4.49Å; V1224-P1237 HydrophobicContact CG1-CG 4.25Å; I1229-P1237 HydrophobicContact CD1-CG 3.67Å; I1229-P1237 HydrophobicContact CG1-CG 4.23Å; A1234-P1237 WeakPolarHBondContact O-CD 3.45Å; P1237-L1240 PolarHBondContact O-N 2.92Å; P1237-Q1241 VanDerWaalsContact O-CB 3.29Å; P1237-Q1241 WeakPolarHBondContact O-CB 3.48Å; P1237-Q1241 PolarHBondContact O-N 3.4Å |
| 1238 | D | 93 | Very high | 89.8 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.3 | -41.1 | -179.8 | -62.2 | -24.2 | 0 | 0 | 0 | 111 | E1235 L1236 Q1241 N1242 | E1235-D1238 PolarHBondContact O-N 3.27Å; L1236-D1238 VanDerWaalsContact C-N 3.32Å; L1236-D1238 PolarHBondContact O-N 3.46Å; D1238-Q1241 PolarHBondContact O-N 2.93Å; D1238-N1242 WeakPolarHBondContact O-CB 3.21Å; D1238-N1242 PolarHBondContact O-N 2.85Å; D1238-N1242 PolarHBondContact O-ND2 3.37Å |
| 1239 | L | 94.6 | Very high | 89.5 | Confident | 21 Ų | 21 | 59.2 Ų | 59.2 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 175.2 | -65.5 | -177 | 0 | 0 | 0 | 112.3 | Q922 F926 E1235 L1236 I1243 | Q922-L1239 HydrophobicContact CB-CD2 3.55Å; Q922-L1239 HydrophobicContact CG-CD2 4.37Å; F926-L1239 HydrophobicContact CB-CD1 3.62Å; F926-L1239 HydrophobicContact CD2-CD1 3.99Å; F926-L1239 HydrophobicContact CG-CD1 3.93Å; E1235-L1239 WeakPolarHBondContact O-CG 3.45Å; E1235-L1239 PolarHBondContact O-N 3.31Å; E1235-L1239 VanDerWaalsContact O-N 3.13Å; L1236-L1239 PolarHBondContact O-N 3.15Å; L1239-I1243 WeakPolarHBondContact O-CD1 3.42Å; L1239-I1243 WeakPolarHBondContact O-CG1 3.38Å; L1239-I1243 PolarHBondContact O-N 3.5Å |
| 1240 | L | 93.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.1 | -38.3 | 177.7 | -65.6 | 173.2 | 0 | 0 | 0 | 111.9 | T1217 L1220 N1221 V1224 L1236 P1237 I1243 S1244 | T1217-L1240 HydrophobicContact CG2-CD2 3.79Å; L1220-L1240 HydrophobicContact CB-CD1 3.9Å; L1220-L1240 HydrophobicContact CB-CD2 3.98Å; N1221-L1240 WeakPolarHBondContact OD1-CB 3.33Å; V1224-L1240 HydrophobicContact CB-CD1 4.34Å; V1224-L1240 HydrophobicContact CG2-CD1 3.64Å; L1236-L1240 HydrophobicContact CD1-CD1 3.93Å; L1236-L1240 HydrophobicContact CD1-CD2 4.34Å; L1236-L1240 HydrophobicContact CD1-CG 3.91Å; L1236-L1240 HydrophobicContact CG-CD1 3.94Å; L1236-L1240 HydrophobicContact CG-CG 4.34Å; L1236-L1240 VanDerWaalsContact O-CG 3.31Å; L1236-L1240 WeakPolarHBondContact O-CG 3.33Å; L1236-L1240 PolarHBondContact O-N 3.39Å; P1237-L1240 PolarHBondContact O-N 2.92Å; L1240-I1243 PolarHBondContact O-N 3.49Å; L1240-S1244 PolarHBondContact O-N 3.27Å |
| 1241 | Q | 92.1 | Very high | 86.3 | Confident | 101 Ų | 101 | 66.5 Ų | 66.5 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 175.1 | 179.3 | 59.5 | 30.9 | 0 | 0 | 111 | P1237 D1238 I1243 S1244 E1245 | P1237-Q1241 VanDerWaalsContact O-CB 3.29Å; P1237-Q1241 WeakPolarHBondContact O-CB 3.48Å; P1237-Q1241 PolarHBondContact O-N 3.4Å; D1238-Q1241 PolarHBondContact O-N 2.93Å; Q1241-I1243 VanDerWaalsContact C-N 3.31Å; Q1241-I1243 PolarHBondContact O-N 3.43Å; Q1241-S1244 PolarHBondContact O-N 2.83Å; Q1241-S1244 VanDerWaalsContact O-N 3.16Å; Q1241-E1245 PolarHBondContact NE2-OE1 3.42Å; Q1241-E1245 WeakPolarHBondContact O-CG 3.42Å; Q1241-E1245 PolarHBondContact O-N 3.36Å |
| 1242 | N | 93.3 | Very high | 84.5 | Confident | 69 Ų | 69 | 62.5 Ų | 62.5 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56 | -44.3 | 174.6 | -70 | -21.6 | 0 | 0 | 0 | 111.9 | D1238 E1245 L1246 | D1238-N1242 WeakPolarHBondContact O-CB 3.21Å; D1238-N1242 PolarHBondContact O-N 2.85Å; D1238-N1242 PolarHBondContact O-ND2 3.37Å; N1242-E1245 PolarHBondContact O-N 2.84Å; N1242-L1246 WeakPolarHBondContact O-CG 3.4Å; N1242-L1246 PolarHBondContact O-N 3.46Å |
| 1243 | I | 93.6 | Very high | 82.4 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 177.9 | -65.4 | 162.9 | 0 | 0 | 0 | 111.2 | L915 Y920 L923 T1217 L1239 L1240 Q1241 E1245 L1246 L1247 | L915-I1243 HydrophobicContact CD1-CG2 3.99Å; Y920-I1243 HydrophobicContact CD1-CD1 4.01Å; Y920-I1243 HydrophobicContact CD1-CG1 4.48Å; Y920-I1243 HydrophobicContact CD1-CG2 4.49Å; Y920-I1243 HydrophobicContact CE1-CD1 4.45Å; Y920-I1243 HydrophobicContact CE1-CG2 3.93Å; L923-I1243 HydrophobicContact CB-CD1 4.09Å; L923-I1243 HydrophobicContact CD2-CD1 3.94Å; T1217-I1243 HydrophobicContact CG2-CB 4.23Å; T1217-I1243 HydrophobicContact CG2-CD1 4.33Å; T1217-I1243 HydrophobicContact CG2-CG2 3.71Å; L1239-I1243 WeakPolarHBondContact O-CD1 3.42Å; L1239-I1243 WeakPolarHBondContact O-CG1 3.38Å; L1239-I1243 PolarHBondContact O-N 3.5Å; L1240-I1243 PolarHBondContact O-N 3.49Å; Q1241-I1243 VanDerWaalsContact C-N 3.31Å; Q1241-I1243 PolarHBondContact O-N 3.43Å; I1243-E1245 VanDerWaalsContact C-N 3.33Å; I1243-E1245 PolarHBondContact O-N 3.06Å; I1243-L1246 PolarHBondContact O-N 2.72Å; I1243-L1247 HydrophobicContact CG2-CD1 4.23Å; I1243-L1247 WeakPolarHBondContact O-CG 3.38Å; I1243-L1247 PolarHBondContact O-N 3.49Å |
| 1244 | S | 90.8 | Very high | 79.9 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 174.5 | -84.6 | 0 | 0 | 0 | 0 | 113.1 | L1240 Q1241 L1247 N1248 | L1240-S1244 PolarHBondContact O-N 3.27Å; Q1241-S1244 PolarHBondContact O-N 2.83Å; Q1241-S1244 VanDerWaalsContact O-N 3.16Å; S1244-L1247 PolarHBondContact O-N 3.37Å; S1244-N1248 WeakPolarHBondContact O-CB 3.49Å; S1244-N1248 VanDerWaalsContact O-CG 3.28Å; S1244-N1248 PolarHBondContact O-N 2.72Å; S1244-N1248 PolarHBondContact O-ND2 3.04Å |
| 1245 | E | 91.4 | Very high | 77.2 | Confident | 93 Ų | 93 | 71.7 Ų | 71.7 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 172.6 | -74 | 177 | -162.4 | 0 | 0 | 111.8 | Q1241 N1242 I1243 L1247 N1248 N1249 | Q1241-E1245 PolarHBondContact NE2-OE1 3.42Å; Q1241-E1245 WeakPolarHBondContact O-CG 3.42Å; Q1241-E1245 PolarHBondContact O-N 3.36Å; N1242-E1245 PolarHBondContact O-N 2.84Å; I1243-E1245 VanDerWaalsContact C-N 3.33Å; I1243-E1245 PolarHBondContact O-N 3.06Å; E1245-L1247 VanDerWaalsContact C-N 3.32Å; E1245-L1247 PolarHBondContact O-N 3.32Å; E1245-N1248 PolarHBondContact O-N 2.84Å; E1245-N1249 WeakPolarHBondContact O-CB 3.28Å; E1245-N1249 PolarHBondContact O-N 3.39Å; E1245-N1249 PolarHBondContact O-ND2 3.1Å |
| 1246 | L | 90 | Very high | 74.4 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60 | -39.3 | 173.6 | -69.4 | 173.8 | 0 | 0 | 0 | 112.5 | L915 C919 N1242 I1243 N1249 F1252 | L915-L1246 HydrophobicContact CD1-CB 3.66Å; L915-L1246 HydrophobicContact CD1-CD1 4.23Å; L915-L1246 HydrophobicContact CD2-CB 4.39Å; C919-L1246 HydrophobicContact CB-CD1 4.07Å; N1242-L1246 WeakPolarHBondContact O-CG 3.4Å; N1242-L1246 PolarHBondContact O-N 3.46Å; I1243-L1246 PolarHBondContact O-N 2.72Å; L1246-N1249 PolarHBondContact O-N 3.44Å; L1246-F1252 HydrophobicContact CD2-CE2 4.02Å; L1246-F1252 HydrophobicContact CD2-CZ 4.01Å |
| 1247 | L | 87.9 | Confident | 71.7 | Confident | 53 Ų | 53 | 80.2 Ų | 80.2 | 28% | 0.277 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 174.7 | -74.8 | 167.5 | 0 | 0 | 0 | 113 | D913 L915 I1243 S1244 E1245 | D913-L1247 HydrophobicContact CB-CD2 3.84Å; L915-L1247 HydrophobicContact CD1-CD2 4.39Å; L915-L1247 HydrophobicContact CD1-CG 4.18Å; L915-L1247 HydrophobicContact CD2-CD2 3.84Å; L915-L1247 HydrophobicContact CD2-CG 4.27Å; L915-L1247 HydrophobicContact CG-CD2 3.81Å; L915-L1247 HydrophobicContact CG-CG 4.15Å; I1243-L1247 HydrophobicContact CG2-CD1 4.23Å; I1243-L1247 WeakPolarHBondContact O-CG 3.38Å; I1243-L1247 PolarHBondContact O-N 3.49Å; S1244-L1247 PolarHBondContact O-N 3.37Å; E1245-L1247 VanDerWaalsContact C-N 3.32Å; E1245-L1247 PolarHBondContact O-N 3.32Å |
| 1248 | N | 84.7 | Confident | 68.9 | Low | 127 Ų | 127 | 85.6 Ų | 85.6 | 68% | 0.679 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -76.5 | -21.5 | 179.5 | -73.9 | -40.3 | 0 | 0 | 0 | 113.4 | S1244 E1245 Q1250 | S1244-N1248 WeakPolarHBondContact O-CB 3.49Å; S1244-N1248 VanDerWaalsContact O-CG 3.28Å; S1244-N1248 PolarHBondContact O-N 2.72Å; S1244-N1248 PolarHBondContact O-ND2 3.04Å; E1245-N1248 PolarHBondContact O-N 2.84Å; N1248-Q1250 PolarHBondContact O-N 2.92Å |
| 1249 | N | 77.4 | Confident | 66 | Low | 78 Ų | 78 | 85.7 Ų | 85.7 | 42% | 0.417 | 44% | 0.442 | S | S | . | . | trans | -73.1 | 89.1 | 179.5 | -76.6 | -32.8 | 0 | 0 | 0 | 111.7 | E1245 L1246 T1251 F1252 | E1245-N1249 WeakPolarHBondContact O-CB 3.28Å; E1245-N1249 PolarHBondContact O-N 3.39Å; E1245-N1249 PolarHBondContact O-ND2 3.1Å; L1246-N1249 PolarHBondContact O-N 3.44Å; N1249-T1251 PolarHBondContact O-N 3.24Å; N1249-F1252 HydrophobicContact CB-CD2 4.39Å; N1249-F1252 PolarHBondContact O-N 3.3Å | ||
| 1250 | Q | 53.5 | Low | 62.9 | Low | 171 Ų | 171 | 90.5 Ų | 90.5 | 80% | 0.799 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -56 | -9.2 | 176.6 | -64.7 | -175.8 | -2 | 0 | 0 | 114.9 | N1248 F1252 T1253 | N1248-Q1250 PolarHBondContact O-N 2.92Å; Q1250-F1252 PolarHBondContact O-N 2.94Å; Q1250-T1253 PolarHBondContact O-N 3.14Å; Q1250-T1253 PolarHBondContact O-OG1 2.93Å |
| 1251 | T | 49.2 | Very low | 60 | Low | 109 Ų | 109 | 95.5 Ų | 95.5 | 67% | 0.669 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -64.2 | -11.7 | 175.2 | 50 | 0 | 0 | 0 | 0 | 114.5 | N1249 T1253 | N1249-T1251 PolarHBondContact O-N 3.24Å; T1251-T1253 VanDerWaalsContact C-N 3.26Å; T1251-T1253 PolarHBondContact O-N 3.13Å |
| 1252 | F | 46.6 | Very low | 57.1 | Low | 29 Ų | 29 | 93.2 Ų | 93.2 | 13% | 0.127 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -73.2 | -9.7 | 176.9 | -85.6 | -104.2 | 0 | 0 | 0 | 114.6 | L1246 N1249 Q1250 S1254 W1255 | L1246-F1252 HydrophobicContact CD2-CE2 4.02Å; L1246-F1252 HydrophobicContact CD2-CZ 4.01Å; N1249-F1252 HydrophobicContact CB-CD2 4.39Å; N1249-F1252 PolarHBondContact O-N 3.3Å; Q1250-F1252 PolarHBondContact O-N 2.94Å; F1252-S1254 PolarHBondContact O-N 3.25Å; F1252-W1255 AromaticContact CD1-CD1 3.66Å; F1252-W1255 AromaticContact CD1-CE2 3.89Å; F1252-W1255 HydrophobicContact CD1-CZ2 4.4Å; F1252-W1255 AromaticContact CD1-NE1 3.05Å; F1252-W1255 AromaticContact CE1-CE2 3.63Å; F1252-W1255 AromaticContact CE1-CZ2 3.71Å; F1252-W1255 HydrophobicContact CE1-CZ2 3.71Å; F1252-W1255 AromaticContact CE1-NE1 3.11Å; F1252-W1255 AromaticContact CG-NE1 3.89Å; F1252-W1255 HydrophobicContact CZ-CZ2 4.49Å; F1252-W1255 AromaticContact CZ-NE1 3.97Å |
| 1253 | T | 43.3 | Very low | 54.1 | Low | 133 Ų | 133 | 97 Ų | 97 | 82% | 0.816 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -65.8 | -6.3 | 176 | 60.7 | 0 | 0 | 0 | 0 | 114.5 | Q1250 T1251 | Q1250-T1253 PolarHBondContact O-N 3.14Å; Q1250-T1253 PolarHBondContact O-OG1 2.93Å; T1251-T1253 VanDerWaalsContact C-N 3.26Å; T1251-T1253 PolarHBondContact O-N 3.13Å |
| 1254 | S | 36.4 | Very low | 51 | Low | 85 Ų | 85 | 103.6 Ų | 103.6 | 59% | 0.594 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -136.8 | 70.5 | 174.5 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | F1252 D1256 | F1252-S1254 PolarHBondContact O-N 3.25Å; S1254-D1256 PolarHBondContact O-N 3.02Å |
| 1255 | W | 31.7 | Very low | 48 | Very low | 115 Ų | 115 | 112 Ų | 112 | 44% | 0.436 | 56% | 0.561 | S | S | . | * | trans | -71 | 77.8 | 159.2 | -96.1 | 50 | 0 | 0 | 0 | 110.1 | F1252 H1257 | F1252-W1255 AromaticContact CD1-CD1 3.66Å; F1252-W1255 AromaticContact CD1-CE2 3.89Å; F1252-W1255 HydrophobicContact CD1-CZ2 4.4Å; F1252-W1255 AromaticContact CD1-NE1 3.05Å; F1252-W1255 AromaticContact CE1-CE2 3.63Å; F1252-W1255 AromaticContact CE1-CZ2 3.71Å; F1252-W1255 HydrophobicContact CE1-CZ2 3.71Å; F1252-W1255 AromaticContact CE1-NE1 3.11Å; F1252-W1255 AromaticContact CG-NE1 3.89Å; F1252-W1255 HydrophobicContact CZ-CZ2 4.49Å; F1252-W1255 AromaticContact CZ-NE1 3.97Å; W1255-H1257 PolarHBondContact O-N 3.31Å | ||
| 1256 | D | 32.9 | Very low | 45 | Very low | 124 Ų | 124 | 114.4 Ų | 114.4 | 66% | 0.663 | 58% | 0.577 | S | S | * | * | trans | -61.5 | 124.4 | 157.7 | -93.1 | -25.5 | 0 | 0 | 0 | 108 | S1254 K1258 N1259 | S1254-D1256 PolarHBondContact O-N 3.02Å; D1256-K1258 PolarHBondContact O-N 3.31Å; D1256-N1259 PolarHBondContact O-N 2.81Å | ||
| 1257 | H | 37.3 | Very low | 42 | Very low | 154 Ų | 154 | 117.9 Ų | 117.9 | 71% | 0.713 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 3.2 | -175.2 | -69.8 | -78.5 | 0 | 0 | 0 | 116.2 | W1255 | W1255-H1257 PolarHBondContact O-N 3.31Š|
| 1258 | K | 34.3 | Very low | 39.1 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 64% | 0.639 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -26 | 177.1 | -68.6 | -177.4 | 177.2 | 178.2 | 0 | 113.7 | D1256 T1261 | D1256-K1258 PolarHBondContact O-N 3.31Å; K1258-T1261 PolarHBondContact O-OG1 3.37Å |
| 1259 | N | 31.4 | Very low | 36.2 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -4.9 | -174.1 | -74.4 | -10.8 | 0 | 0 | 0 | 115.2 | D1256 T1261 S1262 | D1256-N1259 PolarHBondContact O-N 2.81Å; N1259-T1261 PolarHBondContact O-N 2.87Å; N1259-S1262 PolarHBondContact O-N 3.21Å; N1259-S1262 PolarHBondContact O-OG 3.29Å; N1259-S1262 VanDerWaalsContact O-OG 3.07Å |
| 1260 | Q | 30.2 | Very low | 33.6 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 58% | 0.575 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -56.9 | -31.6 | 172.6 | -100.9 | 174.2 | -19.6 | 0 | 0 | 112.5 | S1262 | Q1260-S1262 PolarHBondContact O-N 3.11Å |
| 1261 | T | 32.9 | Very low | 32.1 | Very low | 105 Ų | 105 | 123 Ų | 123 | 64% | 0.644 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -83.4 | -5.2 | -176.7 | 63.5 | 0 | 0 | 0 | 0 | 115.4 | K1258 N1259 | K1258-T1261 PolarHBondContact O-OG1 3.37Å; N1259-T1261 PolarHBondContact O-N 2.87Å |
| 1262 | S | 29.8 | Very low | 31 | Very low | 54 Ų | 54 | 126.4 Ų | 126.4 | 38% | 0.378 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -108.7 | -16.6 | -177.2 | 48.1 | 0 | 0 | 0 | 0 | 114.4 | N1259 Q1260 | N1259-S1262 PolarHBondContact O-N 3.21Å; N1259-S1262 PolarHBondContact O-OG 3.29Å; N1259-S1262 VanDerWaalsContact O-OG 3.07Å; Q1260-S1262 PolarHBondContact O-N 3.11Å |
| 1263 | F | 30.6 | Very low | 29.9 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 65% | 0.645 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -72.6 | -39.4 | 177.3 | -125.2 | -87.7 | 0 | 0 | 0 | 112.9 | R1265 N1266 | F1263-R1265 PolarHBondContact O-N 3.01Å; F1263-R1265 VanDerWaalsContact O-N 3.08Å; F1263-N1266 PolarHBondContact O-N 3.32Å |
| 1264 | E | 27.9 | Very low | 28.9 | Very low | 145 Ų | 145 | 129 Ų | 129 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -17.6 | 177.3 | -66 | -176 | 155.1 | 0 | 0 | 114 | ||
| 1265 | R | 28.5 | Very low | 28.4 | Very low | 207 Ų | 207 | 136.8 Ų | 136.8 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -5.4 | -172.1 | -132.3 | -175.3 | -70.3 | -172.7 | -2 | 115.6 | F1263 | F1263-R1265 PolarHBondContact O-N 3.01Å; F1263-R1265 VanDerWaalsContact O-N 3.08Å |
| 1266 | N | 29.3 | Very low | 28.2 | Very low | 144 Ų | 144 | 137 Ų | 137 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -111.3 | 1.6 | -177.6 | -86.5 | -4.8 | 0 | 0 | 0 | 115 | F1263 N1268 | F1263-N1266 PolarHBondContact O-N 3.32Å; N1266-N1268 PolarHBondContact O-N 3.46Å |
| 1267 | T | 26.7 | Very low | 27.9 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | -81.2 | 58.6 | 166.3 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1268 | N | 26.3 | Very low | 27.2 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | -137 | 92.9 | 165.7 | -107.9 | -25.3 | 0 | 0 | 0 | 108.3 | N1266 N1270 | N1266-N1268 PolarHBondContact O-N 3.46Å; N1268-N1270 PolarHBondContact O-N 2.66Å; N1268-N1270 VanDerWaalsContact O-N 3.16Å | ||
| 1269 | S | 22.9 | Very low | 26.9 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | trans | -70.2 | 103.4 | -178.1 | 35.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1270 | N | 24.8 | Very low | 26.6 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | -114.5 | 111.5 | 165.6 | -137.7 | 7.4 | 0 | 0 | 0 | 109.7 | N1268 H1272 | N1268-N1270 PolarHBondContact O-N 2.66Å; N1268-N1270 VanDerWaalsContact O-N 3.16Å; N1270-H1272 PolarHBondContact O-N 3.47Å | ||
| 1271 | S | 20.3 | Very low | 26.2 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -85.3 | 94 | -167 | 39.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1272 | H | 27.2 | Very low | 26 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -122.3 | 126.2 | 164.2 | -76.9 | -33.7 | 0 | 0 | 0 | 113.1 | N1270 | N1270-H1272 PolarHBondContact O-N 3.47Š| ||
| 1273 | S | 22.4 | Very low | 25.7 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -77.6 | 157.7 | -170.3 | 180 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1274 | S | 23.2 | Very low | 25.4 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 69.8 | 85.8 | 152.9 | -61.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 1275 | R | 26.3 | Very low | 25.4 | Very low | 248 Ų | 248 | 144.9 Ų | 144.9 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | -154.9 | 123.3 | 124.1 | -135.2 | 170.9 | 179.3 | 171.1 | -0.7 | 113.8 | G1277 | R1275-G1277 PolarHBondContact O-N 3.42Š| |||
| 1276 | S | 26 | Very low | 25.2 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -65.8 | 111.8 | 170.4 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1277 | G | 27 | Very low | 24.9 | Very low | 65 Ų | 65 | 141.3 Ų | 141.3 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | -119.8 | 104.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1275 P1279 | R1275-G1277 PolarHBondContact O-N 3.42Å; G1277-P1279 WeakPolarHBondContact O-CD 3.43Å | ||
| 1278 | I | 23.5 | Very low | 24.8 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 116.6 | 176.5 | -61.7 | 169.6 | 0 | 0 | 0 | 108.6 | R1280 | I1278-R1280 PolarHBondContact O-N 3.24Š|
| 1279 | P | 27.1 | Very low | 24.5 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 129.3 | 178.4 | -17.3 | 32.7 | 0 | 0 | 0 | 110.4 | G1277 H1281 | G1277-P1279 WeakPolarHBondContact O-CD 3.43Å; P1279-H1281 PolarHBondContact O-N 3.24Å |
| 1280 | R | 24.8 | Very low | 24.5 | Very low | 224 Ų | 224 | 143.7 Ų | 143.7 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 121.9 | -179 | -72.6 | 177.9 | 174 | 159.1 | -2.4 | 111.1 | I1278 H1282 | I1278-R1280 PolarHBondContact O-N 3.24Å; R1280-H1282 PolarHBondContact O-N 2.69Å |
| 1281 | H | 22.8 | Very low | 24.3 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 117.1 | 158.5 | -83.7 | -105.3 | 0 | 0 | 0 | 110 | P1279 | P1279-H1281 PolarHBondContact O-N 3.24Š|
| 1282 | H | 27.5 | Very low | 24.4 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -119.2 | 74.2 | 155.1 | -84.4 | -68.4 | 0 | 0 | 0 | 109.3 | R1280 L1284 | R1280-H1282 PolarHBondContact O-N 2.69Å; H1282-L1284 PolarHBondContact O-N 3.16Å | ||
| 1283 | S | 23.8 | Very low | 24.2 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -73.4 | 112.6 | 162.3 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | A1285 | S1283-A1285 PolarHBondContact O-N 3.49Š| ||
| 1284 | L | 25.4 | Very low | 24.2 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -89.1 | 85.9 | 167 | -86.6 | 156.4 | 0 | 0 | 0 | 108.3 | H1282 | H1282-L1284 PolarHBondContact O-N 3.16Š| ||
| 1285 | A | 27.5 | Very low | 24.2 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 130.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S1283 | S1283-A1285 PolarHBondContact O-N 3.49Š|
| 1286 | N | 25 | Very low | 24 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 156.1 | -179.5 | -157.5 | 0.8 | 0 | 0 | 0 | 111.7 | ||
| 1287 | N | 22.8 | Very low | 23.7 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 144.2 | -161.5 | -58.1 | -82.6 | 0 | 0 | 0 | 114.8 | ||
| 1288 | N | 24 | Very low | 24.3 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -143.3 | 118.5 | 149.1 | -104.6 | -27.9 | 0 | 0 | 0 | 108.8 | ||||
| 1289 | S | 20.1 | Very low | 24.2 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -112.9 | 101.3 | -167.9 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1290 | I | 22.1 | Very low | 23.9 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -150.7 | 133.2 | 164.5 | -60.6 | -177.1 | 0 | 0 | 0 | 106.3 | ||||
| 1291 | S | 21.6 | Very low | 23.8 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | cis | -169.7 | 143.7 | -21.7 | 56.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1292 | V | 21.4 | Very low | 23.8 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 61.3 | 107.6 | 145.8 | 177.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1293 | V | 23.9 | Very low | 23.5 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | -175.8 | 126.2 | 101.5 | 163.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1294 | D | 21.7 | Very low | 23.6 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -65.6 | 141.6 | 168.8 | -74.6 | -74 | 0 | 0 | 0 | 113.1 | ||||
| 1295 | N | 23 | Very low | 23.4 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | trans | -149.5 | 103.3 | 145.5 | -102.2 | -43.5 | 0 | 0 | 0 | 113.4 | ||||
| 1296 | R | 22.7 | Very low | 23.1 | Very low | 221 Ų | 221 | 147.2 Ų | 147.2 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | 54.3 | 111.5 | 134.6 | -57.6 | 176.8 | -170 | -144 | -3.1 | 119.2 | ||||
| 1297 | R | 20.6 | Very low | 23 | Very low | 246 Ų | 246 | 145.9 Ų | 145.9 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | 24.5 | 154.1 | 121.4 | -95.6 | -156.4 | 164.5 | 173.3 | -4.1 | 120.9 | |||||
| 1298 | P | 40.2 | Very low | 22.8 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | -105.1 | 164.4 | -129.3 | 40.6 | -36.7 | 0 | 0 | 0 | 114 | |||||
| 1299 | S | 21 | Very low | 22.7 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -152.5 | 144.2 | 156.2 | 40.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1300 | E | 19.3 | Very low | 22.8 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -47.7 | 139.7 | 176.2 | -63.8 | 142.4 | 162.6 | 0 | 0 | 114.3 | ||||
| 1301 | A | 24.4 | Very low | 22.7 | Very low | 105 Ų | 105 | 148 Ų | 148 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -131.6 | 93.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1302 | T | 21.5 | Very low | 22.7 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | trans | -72.9 | 148.7 | 179.3 | -48.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1303 | T | 20.7 | Very low | 22.7 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | 59.8 | 107.6 | 162.5 | 34 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1304 | I | 26.3 | Very low | 22.6 | Very low | 176 Ų | 176 | 154.2 Ų | 154.2 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | trans | -125.2 | 139.3 | 136.2 | -64.1 | -175.8 | 0 | 0 | 0 | 108.4 | ||||
| 1305 | I | 22.1 | Very low | 22.6 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | trans | -84.4 | 141.5 | -159.8 | -66.3 | 157.4 | 0 | 0 | 0 | 112.2 | ||||
| 1306 | K | 20.9 | Very low | 22.5 | Very low | 195 Ų | 195 | 151.7 Ų | 151.7 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -106.6 | 142.7 | 160.3 | -85.7 | -175.7 | 174.7 | 179.5 | 0 | 109.9 | ||||
| 1307 | P | 22.8 | Very low | 22.6 | Very low | 124 Ų | 124 | 152 Ų | 152 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -77.4 | 154.8 | -179.7 | 32.6 | -35.3 | 0 | 0 | 0 | 112.4 | ||||
| 1308 | S | 18.7 | Very low | 22.6 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -81.6 | 136.8 | 177.4 | 35.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1309 | L | 21.8 | Very low | 21.6 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | trans | -134.7 | 124.5 | 151.4 | -146 | 82.8 | 0 | 0 | 0 | 108.2 | ||||
| 1310 | T | 21.6 | Very low | 22 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -111.9 | 157.6 | -173.1 | 45.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1311 | K | 20.9 | Very low | 22.4 | Very low | 199 Ų | 199 | 145.5 Ų | 145.5 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | trans | 91.1 | 97 | 169.8 | -57.7 | -175.5 | 175.2 | -176.5 | 0 | 117.7 | ||||
| 1312 | L | 20.9 | Very low | 22.1 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | -164.8 | 114 | 116 | -90.5 | 167.2 | 0 | 0 | 0 | 103.8 | |||||
| 1313 | H | 21.4 | Very low | 22 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | 37 | 125.3 | 91.1 | -98 | -122.4 | 0 | 0 | 0 | 112.5 | |||||
| 1314 | E | 22.1 | Very low | 22 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | cis | -166.8 | 168.1 | 23.7 | -146.1 | 168.3 | 133.1 | 0 | 0 | 113.7 | ||||
| 1315 | V | 22.8 | Very low | 21.7 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 62% | 0.624 | 77% | 0.768 | S | S | * | * | trans | 62.8 | 104.6 | 161.7 | -162.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1316 | D | 20.4 | Very low | 21.6 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 66% | 0.658 | 77% | 0.767 | S | S | * | * | trans | -13.4 | 129.9 | 142.5 | -67.9 | -82.4 | 0 | 0 | 0 | 120.6 | ||||
| 1317 | R | 23.6 | Very low | 21.6 | Very low | 229 Ų | 229 | 142.3 Ų | 142.3 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | -168.9 | 103.6 | 116.2 | -106.4 | 168.5 | -96 | -151.2 | -2.4 | 109.2 | |||||
| 1318 | K | 20.4 | Very low | 21.4 | Very low | 177 Ų | 177 | 144.5 Ų | 144.5 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | 37.6 | 95.9 | 91.2 | -73.4 | -172.2 | 179.5 | 177.7 | 0 | 113.5 | |||||
| 1319 | L | 20.9 | Very low | 21.4 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | 171.1 | 103.8 | 128 | -91.6 | 149.4 | 0 | 0 | 0 | 109.8 | P1321 | L1319-P1321 HydrophobicContact CD2-CG 4.5Š| |||
| 1320 | S | 28.2 | Very low | 21.4 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -73.9 | 139.7 | 132.2 | -173.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1321 | P | 28.8 | Very low | 21.2 | Very low | 84 Ų | 84 | 147.7 Ų | 147.7 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | -142.8 | 155.3 | 101.1 | 40.3 | -24.7 | 0 | 0 | 0 | 112.5 | L1319 | L1319-P1321 HydrophobicContact CD2-CG 4.5Š| |||
| 1322 | E | 18.1 | Very low | 21.1 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | 51.2 | 106.4 | 108.9 | -47.7 | 174.4 | 154 | 0 | 0 | 112.8 | |||||
| 1323 | A | 19.3 | Very low | 21.1 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | 67.6 | 140.9 | 87.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1324 | S | 20.3 | Very low | 21 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | 100.6 | 118.7 | 163.4 | -48.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1325 | I | 19.1 | Very low | 20.9 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | 79.5 | 112.5 | 128.4 | -66.2 | 171.3 | 0 | 0 | 0 | 118.3 | |||||
| 1326 | N | 20 | Very low | 21.7 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | trans | 41.5 | 136.2 | 138.3 | -57.7 | -25.9 | 0 | 0 | 0 | 120.5 | ||||
| 1327 | V | 21 | Very low | 21.7 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | -163 | 152.5 | 94.8 | 142.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1328 | K | 19.1 | Very low | 21.5 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | trans | -84.6 | 144.3 | 177.3 | -74.8 | 172.7 | 174.4 | 173.1 | 0 | 111.5 | ||||
| 1329 | T | 18.6 | Very low | 21.6 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | trans | 54.5 | 126.4 | 141.8 | -40.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1330 | I | 21.1 | Very low | 21.6 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | 171.1 | 113.1 | 121.4 | -87 | 162.3 | 0 | 0 | 0 | 110.8 | |||||
| 1331 | R | 18.6 | Very low | 21.3 | Very low | 219 Ų | 219 | 135.2 Ų | 135.2 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | 50.2 | 138.7 | 127 | -128.2 | -169.9 | -170.9 | 153.1 | 2.3 | 122.8 | |||||
| 1332 | N | 19.4 | Very low | 21 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 64% | 0.642 | 74% | 0.74 | S | S | * | * | trans | 88.7 | 131.6 | 146.7 | -75.7 | -7 | 0 | 0 | 0 | 122.5 | ||||
| 1333 | Q | 19.8 | Very low | 21.1 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | 73 | 116.3 | 140 | -68.7 | 168.5 | 4.3 | 0 | 0 | 122.2 | ||||
| 1334 | Q | 19.1 | Very low | 21.1 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | 25.8 | 136.6 | 127.9 | -88.1 | 171.1 | -66.7 | 0 | 0 | 122.8 | |||||
| 1335 | E | 19.4 | Very low | 21.2 | Very low | 162 Ų | 162 | 136 Ų | 136 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | trans | 65 | 167.9 | 141.9 | -84.8 | 176.7 | -137.8 | 0 | 0 | 119.6 | ||||
| 1336 | P | 39.6 | Very low | 21.4 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 60% | 0.597 | 75% | 0.753 | S | S | * | * | cis | -127.8 | -154.1 | -18.7 | 28.1 | -5.2 | 0 | 0 | 0 | 112 | ||||
| 1337 | N | 20.4 | Very low | 21.5 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 88.5 | 138.6 | 163.1 | -55.4 | -25.7 | 0 | 0 | 0 | 116.9 | ||||
| 1338 | N | 21.2 | Very low | 21.4 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | cis | -164.4 | 162 | -5.1 | -116.7 | -17.5 | 0 | 0 | 0 | 113.1 | ||||
| 1339 | N | 22.6 | Very low | 21.6 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 71.9 | 153 | 158.1 | -54.2 | -17.4 | 0 | 0 | 0 | 120 | ||||
| 1340 | A | 20.3 | Very low | 21.7 | Very low | 80 Ų | 80 | 137 Ų | 137 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | cis | -175.2 | 139.7 | -29.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1341 | T | 20.6 | Very low | 21.7 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 74.5 | 148.8 | 146.5 | -46.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1342 | S | 22.4 | Very low | 22 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 71.6 | 115.5 | 175.7 | 65.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1343 | A | 21.5 | Very low | 22.2 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | cis | 99.1 | 116 | 33.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1344 | D | 19.8 | Very low | 22.4 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | 34.9 | 102.6 | 159.7 | -57.2 | -21.4 | 0 | 0 | 0 | 120.3 | ||||
| 1345 | S | 21.1 | Very low | 22.6 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | 170.2 | 124.2 | 103.8 | 43.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1346 | N | 24 | Very low | 23 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | trans | 169.9 | 95.6 | 143.4 | -90.4 | -42.1 | 0 | 0 | 0 | 109.4 | ||||
| 1347 | E | 21.1 | Very low | 22.3 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -105.1 | 143.2 | 171.3 | -170.3 | 174.8 | -142.4 | 0 | 0 | 109.3 | ||||
| 1348 | C | 19 | Very low | 22.4 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | 58.6 | 119.8 | 173.2 | -79.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1349 | I | 23.3 | Very low | 22.7 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | -152.1 | 153.6 | 97.3 | -97.1 | 158.5 | 0 | 0 | 0 | 110.3 | |||||
| 1350 | S | 21.9 | Very low | 23 | Very low | 90 Ų | 90 | 142.2 Ų | 142.2 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | -92.1 | 143.1 | -158 | -34.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1351 | S | 20.7 | Very low | 23.2 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 41.7 | 94.3 | 137.2 | 63.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1352 | T | 25.1 | Very low | 23.5 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -94.4 | 127.6 | 147.2 | 40.6 | 0 | 0 | 0 | 0 | 110 | Q1354 | T1352-Q1354 PolarHBondContact O-N 3Š| ||
| 1353 | R | 23.2 | Very low | 23.7 | Very low | 222 Ų | 222 | 149 Ų | 149 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -83.4 | 101.3 | -174 | -175.5 | -177.3 | -175.9 | -166.8 | -0.7 | 109.8 | E1355 | R1353-E1355 PolarHBondContact O-N 3.45Š| ||
| 1354 | Q | 24 | Very low | 23.9 | Very low | 180 Ų | 180 | 153.6 Ų | 153.6 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -67.8 | 116.5 | 170.5 | -74.8 | 179.3 | -25 | 0 | 0 | 110.2 | T1352 | T1352-Q1354 PolarHBondContact O-N 3Š| ||
| 1355 | E | 22.5 | Very low | 24.1 | Very low | 181 Ų | 181 | 155.4 Ų | 155.4 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -72.4 | 130.5 | 164 | -67.6 | -172.3 | 141.3 | 0 | 0 | 109 | R1353 | R1353-E1355 PolarHBondContact O-N 3.45Š| ||
| 1356 | K | 28.5 | Very low | 24.2 | Very low | 188 Ų | 188 | 159 Ų | 159 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | -88.1 | 112.4 | 178.9 | -67.8 | -179.6 | 177.4 | -176.5 | 0 | 108.4 | ||||
| 1357 | S | 25.2 | Very low | 24.4 | Very low | 82 Ų | 82 | 162 Ų | 162 | 57% | 0.573 | 79% | 0.794 | S | S | * | * | trans | -57.2 | 146.3 | 163.6 | 130.8 | 0 | 0 | 0 | 0 | 109.4 | D1359 | S1357-D1359 VanDerWaalsContact C-N 3.31Å; S1357-D1359 WeakPolarHBondContact CB-OD2 3.2Å; S1357-D1359 WeakPolarHBondContact OG-CB 3.2Å; S1357-D1359 PolarHBondContact OG-N 3.41Å; S1357-D1359 PolarHBondContact OG-OD2 3.03Å | ||
| 1358 | W | 23.1 | Very low | 24.7 | Very low | 228 Ų | 228 | 160.8 Ų | 160.8 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -90.5 | 7.2 | -178.5 | -85.2 | 84.2 | 0 | 0 | 0 | 113 | T1360 | W1358-T1360 VanDerWaalsContact C-N 3.27Å; W1358-T1360 PolarHBondContact O-N 3.4Å |
| 1359 | D | 26.3 | Very low | 25.1 | Very low | 134 Ų | 134 | 161.5 Ų | 161.5 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 38.5 | -163.9 | -51.2 | -59.4 | 0 | 0 | 0 | 113.9 | S1357 | S1357-D1359 VanDerWaalsContact C-N 3.31Å; S1357-D1359 WeakPolarHBondContact CB-OD2 3.2Å; S1357-D1359 WeakPolarHBondContact OG-CB 3.2Å; S1357-D1359 PolarHBondContact OG-N 3.41Å; S1357-D1359 PolarHBondContact OG-OD2 3.03Å |
| 1360 | T | 28.6 | Very low | 25.1 | Very low | 114 Ų | 114 | 158.3 Ų | 158.3 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.3 | 3.7 | 179.3 | -40.1 | 0 | 0 | 0 | 0 | 115.5 | W1358 | W1358-T1360 VanDerWaalsContact C-N 3.27Å; W1358-T1360 PolarHBondContact O-N 3.4Å |
| 1361 | F | 24.4 | Very low | 25.3 | Very low | 192 Ų | 192 | 163.7 Ų | 163.7 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -120.7 | 7.2 | -176.9 | -94.7 | -79.7 | 0 | 0 | 0 | 117.4 | ||
| 1362 | I | 27 | Very low | 25.8 | Very low | 148 Ų | 148 | 167.5 Ų | 167.5 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -123.7 | 60.5 | 176.1 | -44.1 | -176.4 | 0 | 0 | 0 | 111.7 | ||||
| 1363 | I | 27.1 | Very low | 26 | Very low | 125 Ų | 125 | 167.6 Ų | 167.6 | 64% | 0.641 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -125.4 | 4 | 174.3 | -63.8 | -177.8 | 0 | 0 | 0 | 112.9 | ||
| 1364 | Q | 25 | Very low | 26.5 | Very low | 190 Ų | 190 | 161.8 Ų | 161.8 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -124.9 | 5.2 | -174.8 | -71.2 | -160.7 | -15.5 | 0 | 0 | 118.1 | ||
| 1365 | K | 24.2 | Very low | 26.8 | Very low | 193 Ų | 193 | 157.3 Ų | 157.3 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -150 | 83.2 | 170.2 | -73.7 | -170 | 178.5 | 179.1 | 0 | 112.6 | ||
| 1366 | E | 24.5 | Very low | 27.2 | Very low | 185 Ų | 185 | 155 Ų | 155 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -179.6 | 73.6 | 147.6 | -104.2 | 168.2 | -161.5 | 0 | 0 | 111.7 | ||||
| 1367 | Y | 27.6 | Very low | 27.4 | Very low | 234 Ų | 234 | 152 Ų | 152 | 92% | 0.918 | 76% | 0.761 | S | S | * | * | trans | -130.9 | 77.3 | 162.1 | -83.1 | -80 | 0 | 0 | 0 | 109 | ||||
| 1368 | L | 27.6 | Very low | 27.8 | Very low | 160 Ų | 160 | 152.8 Ų | 152.8 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -111.1 | 117.5 | 167.1 | -88.7 | 162.6 | 0 | 0 | 0 | 107.9 | C1370 | L1368-C1370 PolarHBondContact O-N 2.9Š| ||
| 1369 | P | 27.2 | Very low | 28.2 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -66.3 | 121.4 | -176 | 25.4 | -33 | 0 | 0 | 0 | 110.7 | K1371 | P1369-K1371 PolarHBondContact O-N 3.12Š| ||
| 1370 | C | 23.6 | Very low | 28.6 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | trans | -63.1 | 116.6 | -178.4 | -58.1 | 0 | 0 | 0 | 0 | 111 | L1368 F1372 | L1368-C1370 PolarHBondContact O-N 2.9Å; C1370-F1372 WeakPolarHBondContact O-CD2 3.47Å; C1370-F1372 PolarHBondContact O-N 3.39Å; C1370-F1372 VanDerWaalsContact O-N 3.11Å | ||
| 1371 | K | 26.5 | Very low | 28.7 | Very low | 204 Ų | 204 | 154.5 Ų | 154.5 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | trans | -68.4 | 106.9 | 167.1 | -71.5 | -177 | 176.5 | -179.7 | 0 | 108.9 | P1369 N1373 | P1369-K1371 PolarHBondContact O-N 3.12Å; K1371-N1373 PolarHBondContact O-N 2.91Å | ||
| 1372 | F | 30.9 | Very low | 29 | Very low | 193 Ų | 193 | 150.4 Ų | 150.4 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | -63.7 | 124.4 | 175.4 | -77 | -93.8 | 0 | 0 | 0 | 110.8 | C1370 S1374 | C1370-F1372 WeakPolarHBondContact O-CD2 3.47Å; C1370-F1372 PolarHBondContact O-N 3.39Å; C1370-F1372 VanDerWaalsContact O-N 3.11Å; F1372-S1374 PolarHBondContact O-N 3.03Å | ||
| 1373 | N | 29.5 | Very low | 29.5 | Very low | 141 Ų | 141 | 151 Ų | 151 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -71.1 | 116.9 | 168 | -82.5 | -21.8 | 0 | 0 | 0 | 109.1 | K1371 T1375 | K1371-N1373 PolarHBondContact O-N 2.91Å; N1373-T1375 PolarHBondContact O-N 3.19Å; N1373-T1375 VanDerWaalsContact O-N 3.11Å | ||
| 1374 | S | 32.9 | Very low | 30 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 3.1 | -170 | 48.8 | 0 | 0 | 0 | 0 | 115.6 | F1372 | F1372-S1374 PolarHBondContact O-N 3.03Š|
| 1375 | T | 30.3 | Very low | 30.7 | Very low | 85 Ų | 85 | 148 Ų | 148 | 52% | 0.521 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -39.1 | -177 | 42.6 | 0 | 0 | 0 | 0 | 113.9 | N1373 M1377 I1378 | N1373-T1375 PolarHBondContact O-N 3.19Å; N1373-T1375 VanDerWaalsContact O-N 3.11Å; T1375-M1377 VanDerWaalsContact C-N 3.27Å; T1375-M1377 PolarHBondContact O-N 3.44Å; T1375-I1378 PolarHBondContact O-N 3.35Å |
| 1376 | D | 31.8 | Very low | 31.2 | Very low | 134 Ų | 134 | 146 Ų | 146 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -14.3 | -167.4 | -68.4 | 1.7 | 0 | 0 | 0 | 113.8 | ||
| 1377 | M | 32.3 | Very low | 31.6 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 62% | 0.616 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -21.5 | 174.4 | -79.7 | -117.1 | 62.8 | 0 | 0 | 113.8 | T1375 F1379 | T1375-M1377 VanDerWaalsContact C-N 3.27Å; T1375-M1377 PolarHBondContact O-N 3.44Å; M1377-F1379 PolarHBondContact O-N 2.88Å |
| 1378 | I | 33.7 | Very low | 32.1 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 50% | 0.497 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | -31.4 | -170.3 | -64.5 | 174.6 | 0 | 0 | 0 | 111.9 | T1375 I1382 | T1375-I1378 PolarHBondContact O-N 3.35Å; I1378-I1382 WeakPolarHBondContact O-CD1 3.42Å |
| 1379 | F | 31.1 | Very low | 32.5 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 82% | 0.816 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -12.6 | -172.4 | -80.7 | -78.9 | 0 | 0 | 0 | 116.1 | M1377 | M1377-F1379 PolarHBondContact O-N 2.88Š|
| 1380 | K | 34.9 | Very low | 33.4 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -94.4 | -10.4 | -176.3 | -78.6 | -165.4 | 174.4 | -171.6 | 0 | 115.8 | ||
| 1381 | Q | 31.6 | Very low | 34.6 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -116.2 | -0.8 | -173.9 | -152.3 | 64.5 | 63.1 | 0 | 0 | 114.3 | H1383 | Q1381-H1383 PolarHBondContact O-N 2.72Š|
| 1382 | I | 29.1 | Very low | 35.6 | Very low | 107 Ų | 107 | 140 Ų | 140 | 55% | 0.549 | 71% | 0.706 | S | S | . | * | trans | -91.6 | 101.1 | 177 | -58.2 | 176.1 | 0 | 0 | 0 | 108.7 | I1378 | I1378-I1382 WeakPolarHBondContact O-CD1 3.42Š| ||
| 1383 | H | 37.6 | Very low | 36.4 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | trans | -70.4 | 127.9 | 161.3 | -87.6 | -101 | 0 | 0 | 0 | 108.7 | Q1381 N1385 | Q1381-H1383 PolarHBondContact O-N 2.72Å; H1383-N1385 VanDerWaalsContact C-N 3.31Å; H1383-N1385 PolarHBondContact O-N 2.66Å | ||
| 1384 | I | 37.4 | Very low | 38.4 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 66% | 0.656 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -81.3 | -5.7 | -166.5 | -69.2 | 174.8 | 0 | 0 | 0 | 113.3 | L1387 | I1384-L1387 WeakPolarHBondContact O-CD1 3.33Š|
| 1385 | N | 40.3 | Very low | 40 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -89.4 | -11.9 | -170.5 | -69.7 | 31 | 0 | 0 | 0 | 115.6 | H1383 L1387 | H1383-N1385 VanDerWaalsContact C-N 3.31Å; H1383-N1385 PolarHBondContact O-N 2.66Å; N1385-L1387 PolarHBondContact O-N 3.49Å |
| 1386 | D | 34.3 | Very low | 41.7 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 80% | 0.802 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -83.7 | 23.1 | 177.2 | -70.7 | -37.2 | 0 | 0 | 0 | 113.3 | E1388 | D1386-E1388 VanDerWaalsContact C-N 3.31Å; D1386-E1388 PolarHBondContact O-N 3.22Å; D1386-E1388 VanDerWaalsContact O-N 3.09Å |
| 1387 | L | 33.3 | Very low | 43.6 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 71% | 0.712 | 67% | 0.667 | S | S | * | * | trans | -85.5 | 46.6 | -171.3 | -102.2 | 86.9 | 0 | 0 | 0 | 115 | I1384 N1385 | I1384-L1387 WeakPolarHBondContact O-CD1 3.33Å; N1385-L1387 PolarHBondContact O-N 3.49Å | ||
| 1388 | E | 37.8 | Very low | 45.5 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -116.4 | 123.8 | 165.8 | -68.3 | -160.2 | 164.9 | 0 | 0 | 112.3 | D1386 | D1386-E1388 VanDerWaalsContact C-N 3.31Å; D1386-E1388 PolarHBondContact O-N 3.22Å; D1386-E1388 VanDerWaalsContact O-N 3.09Å |
| 1389 | Q | 36.8 | Very low | 47.3 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 79% | 0.794 | 66% | 0.657 | S | S | * | * | trans | 83.1 | 96.7 | 178.5 | -50.1 | -169.9 | 27.2 | 0 | 0 | 116.7 | E1391 | Q1389-E1391 VanDerWaalsContact C-N 3.33Å; Q1389-E1391 PolarHBondContact O-N 3.28Å | ||
| 1390 | P | 46 | Very low | 49 | Very low | 107 Ų | 107 | 130 Ų | 130 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -75.5 | -9.2 | -174.7 | 30.9 | -36.4 | 0 | 0 | 0 | 115.5 | N1392 M1393 | P1390-N1392 VanDerWaalsContact C-N 3.31Å; P1390-N1392 PolarHBondContact O-N 2.83Å; P1390-M1393 WeakPolarHBondContact O-CB 3.34Å; P1390-M1393 PolarHBondContact O-N 2.92Å |
| 1391 | E | 48.1 | Very low | 50.9 | Low | 184 Ų | 184 | 128.1 Ų | 128.1 | 86% | 0.86 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -71.4 | -20.6 | -173.9 | -63.2 | -164 | 165.6 | 0 | 0 | 114.1 | Q1389 | Q1389-E1391 VanDerWaalsContact C-N 3.33Å; Q1389-E1391 PolarHBondContact O-N 3.28Å |
| 1392 | N | 48.7 | Very low | 53.2 | Low | 113 Ų | 113 | 125.1 Ų | 125.1 | 60% | 0.604 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -88 | -9.9 | 173.6 | -80.1 | -6.3 | 0 | 0 | 0 | 113.7 | P1390 E1394 E1395 L1396 | P1390-N1392 VanDerWaalsContact C-N 3.31Å; P1390-N1392 PolarHBondContact O-N 2.83Å; N1392-E1394 VanDerWaalsContact C-N 3.35Å; N1392-E1394 PolarHBondContact O-N 3.45Å; N1392-E1395 PolarHBondContact O-N 3.07Å; N1392-E1395 VanDerWaalsContact O-N 3.17Å; N1392-L1396 PolarHBondContact O-N 2.88Å |
| 1393 | M | 47.5 | Very low | 54.9 | Low | 117 Ų | 117 | 125.3 Ų | 125.3 | 58% | 0.576 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.2 | -35.4 | -166.9 | -138.7 | -111.4 | -74 | 0 | 0 | 112.1 | P1390 L1396 L1397 | P1390-M1393 WeakPolarHBondContact O-CB 3.34Å; P1390-M1393 PolarHBondContact O-N 2.92Å; M1393-L1396 PolarHBondContact O-N 3.48Å; M1393-L1397 VanDerWaalsContact O-CB 3.31Å; M1393-L1397 WeakPolarHBondContact O-CB 3.44Å; M1393-L1397 VanDerWaalsContact O-CG 3.24Å; M1393-L1397 WeakPolarHBondContact O-CG 3.26Å; M1393-L1397 PolarHBondContact O-N 2.91Å; M1393-L1397 HydrophobicContact SD-CD1 3.7Å; M1393-L1397 HydrophobicContact SD-CG 4.27Å |
| 1394 | E | 70.3 | Confident | 56.4 | Low | 141 Ų | 141 | 122.6 Ų | 122.6 | 66% | 0.659 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.9 | -27.9 | 176.2 | -171.6 | 149.7 | -145.5 | 0 | 0 | 113.2 | N1392 S1398 | N1392-E1394 VanDerWaalsContact C-N 3.35Å; N1392-E1394 PolarHBondContact O-N 3.45Å; E1394-S1398 WeakPolarHBondContact O-CB 3.24Å; E1394-S1398 PolarHBondContact O-N 2.67Å; E1394-S1398 PolarHBondContact O-OG 3.21Å |
| 1395 | E | 67.2 | Low | 58.2 | Low | 126 Ų | 126 | 123.7 Ų | 123.7 | 59% | 0.589 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.4 | -42.5 | 171.1 | -173.4 | 171.2 | -172.2 | 0 | 0 | 110.8 | N1392 S1398 Q1399 | N1392-E1395 PolarHBondContact O-N 3.07Å; N1392-E1395 VanDerWaalsContact O-N 3.17Å; E1395-S1398 WeakPolarHBondContact O-CB 3.31Å; E1395-S1398 PolarHBondContact O-N 2.92Å; E1395-Q1399 WeakPolarHBondContact O-CG 3.5Å; E1395-Q1399 PolarHBondContact O-N 3.14Å |
| 1396 | L | 66.9 | Low | 59.6 | Low | 94 Ų | 94 | 122.8 Ų | 122.8 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67 | -43.8 | 178.9 | -140.7 | 165.1 | 0 | 0 | 0 | 111.4 | N1392 M1393 S1398 Q1399 Y1400 | N1392-L1396 PolarHBondContact O-N 2.88Å; M1393-L1396 PolarHBondContact O-N 3.48Å; L1396-S1398 VanDerWaalsContact C-N 3.32Å; L1396-S1398 PolarHBondContact O-N 2.9Å; L1396-Q1399 PolarHBondContact O-N 3.48Å; L1396-Y1400 HydrophobicContact CD2-CD2 3.63Å; L1396-Y1400 HydrophobicContact CD2-CE2 3.47Å; L1396-Y1400 VanDerWaalsContact CD2-CE2 3.47Å; L1396-Y1400 PolarHBondContact O-N 2.86Å |
| 1397 | L | 70.7 | Confident | 60.9 | Low | 77 Ų | 77 | 120.5 Ų | 120.5 | 40% | 0.403 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.6 | -35.2 | 170.7 | -73.4 | 171.3 | 0 | 0 | 0 | 112.4 | M1393 Y1400 R1401 | M1393-L1397 VanDerWaalsContact O-CB 3.31Å; M1393-L1397 WeakPolarHBondContact O-CB 3.44Å; M1393-L1397 VanDerWaalsContact O-CG 3.24Å; M1393-L1397 WeakPolarHBondContact O-CG 3.26Å; M1393-L1397 PolarHBondContact O-N 2.91Å; M1393-L1397 HydrophobicContact SD-CD1 3.7Å; M1393-L1397 HydrophobicContact SD-CG 4.27Å; L1397-Y1400 PolarHBondContact O-N 3.08Å; L1397-R1401 WeakPolarHBondContact O-CB 3.41Å; L1397-R1401 WeakPolarHBondContact O-CG 3.27Å; L1397-R1401 PolarHBondContact O-N 3.24Å |
| 1398 | S | 72.9 | Confident | 62.1 | Low | 56 Ų | 56 | 118.4 Ų | 118.4 | 39% | 0.392 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.3 | -38 | 174.5 | -65.3 | 0 | 0 | 0 | 0 | 112 | E1394 E1395 L1396 R1401 E1402 | E1394-S1398 WeakPolarHBondContact O-CB 3.24Å; E1394-S1398 PolarHBondContact O-N 2.67Å; E1394-S1398 PolarHBondContact O-OG 3.21Å; E1395-S1398 WeakPolarHBondContact O-CB 3.31Å; E1395-S1398 PolarHBondContact O-N 2.92Å; L1396-S1398 VanDerWaalsContact C-N 3.32Å; L1396-S1398 PolarHBondContact O-N 2.9Å; S1398-R1401 PolarHBondContact O-N 3.28Å; S1398-E1402 VanDerWaalsContact O-CB 3.23Å; S1398-E1402 WeakPolarHBondContact O-CB 3.39Å; S1398-E1402 PolarHBondContact O-N 2.89Å |
| 1399 | Q | 70.2 | Confident | 63.4 | Low | 109 Ų | 109 | 113 Ų | 113 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 172.7 | -72.8 | -177.6 | 29.5 | 0 | 0 | 111.7 | E1395 L1396 E1402 Q1403 | E1395-Q1399 WeakPolarHBondContact O-CG 3.5Å; E1395-Q1399 PolarHBondContact O-N 3.14Å; L1396-Q1399 PolarHBondContact O-N 3.48Å; Q1399-E1402 PolarHBondContact O-N 3.26Å; Q1399-Q1403 WeakPolarHBondContact O-CG 3.35Å; Q1399-Q1403 PolarHBondContact O-N 3Å |
| 1400 | Y | 68 | Low | 63.8 | Low | 131 Ų | 131 | 108.8 Ų | 108.8 | 51% | 0.514 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 175.9 | -87.8 | -64.7 | 0 | 0 | 0 | 113.1 | L1396 L1397 E1402 Q1403 L1404 | L1396-Y1400 HydrophobicContact CD2-CD2 3.63Å; L1396-Y1400 HydrophobicContact CD2-CE2 3.47Å; L1396-Y1400 VanDerWaalsContact CD2-CE2 3.47Å; L1396-Y1400 PolarHBondContact O-N 2.86Å; L1397-Y1400 PolarHBondContact O-N 3.08Å; Y1400-E1402 VanDerWaalsContact C-N 3.3Å; Y1400-E1402 PolarHBondContact O-N 3.23Å; Y1400-Q1403 PolarHBondContact O-N 3.35Å; Y1400-L1404 WeakPolarHBondContact O-CB 3.47Å; Y1400-L1404 PolarHBondContact O-N 2.91Å |
| 1401 | R | 74.8 | Confident | 63.8 | Low | 150 Ų | 150 | 108.7 Ų | 108.7 | 57% | 0.566 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -39.9 | 173.3 | -76.3 | 168.9 | 179.3 | 166.3 | 1.3 | 111.7 | L1397 S1398 L1404 R1405 | L1397-R1401 WeakPolarHBondContact O-CB 3.41Å; L1397-R1401 WeakPolarHBondContact O-CG 3.27Å; L1397-R1401 PolarHBondContact O-N 3.24Å; S1398-R1401 PolarHBondContact O-N 3.28Å; R1401-L1404 PolarHBondContact O-N 3.33Å; R1401-R1405 WeakPolarHBondContact O-CB 3.34Å; R1401-R1405 PolarHBondContact O-N 3.21Å |
| 1402 | E | 78.7 | Confident | 63.6 | Low | 72 Ų | 72 | 106.9 Ų | 106.9 | 34% | 0.336 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.6 | -34.2 | 178.7 | -173.8 | 58.7 | -159.9 | 0 | 0 | 112.1 | S1398 Q1399 Y1400 R1405 Q1406 | S1398-E1402 VanDerWaalsContact O-CB 3.23Å; S1398-E1402 WeakPolarHBondContact O-CB 3.39Å; S1398-E1402 PolarHBondContact O-N 2.89Å; Q1399-E1402 PolarHBondContact O-N 3.26Å; Y1400-E1402 VanDerWaalsContact C-N 3.3Å; Y1400-E1402 PolarHBondContact O-N 3.23Å; E1402-R1405 PolarHBondContact O-N 2.83Å; E1402-R1405 IonicContact OE2-CZ 2.66Å; E1402-R1405 IonicContact OE2-NE 3.15Å; E1402-R1405 PolarHBondContact OE2-NE 2.92Å; E1402-R1405 VanDerWaalsContact OE2-NE 3.07Å; E1402-R1405 IonicContact OE2-NH2 2.72Å; E1402-R1405 PolarHBondContact OE2-NH2 3.49Å; E1402-Q1406 WeakPolarHBondContact O-CB 3.37Å; E1402-Q1406 VanDerWaalsContact O-CG 3.29Å; E1402-Q1406 WeakPolarHBondContact O-CG 3.48Å; E1402-Q1406 PolarHBondContact O-N 3.42Å; E1402-Q1406 PolarHBondContact OE1-NE2 3.01Å |
| 1403 | Q | 66 | Low | 63.2 | Low | 112 Ų | 112 | 108.8 Ų | 108.8 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 169.2 | -75.3 | 179.9 | 6.6 | 0 | 0 | 112 | Q1399 Y1400 R1405 Q1406 L1407 | Q1399-Q1403 WeakPolarHBondContact O-CG 3.35Å; Q1399-Q1403 PolarHBondContact O-N 3Å; Y1400-Q1403 PolarHBondContact O-N 3.35Å; Q1403-R1405 VanDerWaalsContact C-N 3.29Å; Q1403-R1405 PolarHBondContact O-N 3.37Å; Q1403-Q1406 PolarHBondContact O-N 3.17Å; Q1403-L1407 WeakPolarHBondContact O-CB 3.32Å; Q1403-L1407 PolarHBondContact O-N 2.92Å |
| 1404 | L | 68.5 | Low | 62.4 | Low | 103 Ų | 103 | 108.6 Ų | 108.6 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 173.3 | -78.7 | 167.8 | 0 | 0 | 0 | 111.7 | Y1400 R1401 L1407 N1408 | Y1400-L1404 WeakPolarHBondContact O-CB 3.47Å; Y1400-L1404 PolarHBondContact O-N 2.91Å; R1401-L1404 PolarHBondContact O-N 3.33Å; L1404-L1407 PolarHBondContact O-N 3.46Å; L1404-N1408 WeakPolarHBondContact O-CB 3.33Å; L1404-N1408 PolarHBondContact O-N 3.47Å |
| 1405 | R | 75.8 | Confident | 60.5 | Low | 151 Ų | 151 | 108.2 Ų | 108.2 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 171.9 | -126.1 | -143.9 | -54.4 | -119.7 | 1.7 | 111.5 | R1401 E1402 Q1403 L1407 N1408 D1409 | R1401-R1405 WeakPolarHBondContact O-CB 3.34Å; R1401-R1405 PolarHBondContact O-N 3.21Å; E1402-R1405 PolarHBondContact O-N 2.83Å; E1402-R1405 IonicContact OE2-CZ 2.66Å; E1402-R1405 IonicContact OE2-NE 3.15Å; E1402-R1405 PolarHBondContact OE2-NE 2.92Å; E1402-R1405 VanDerWaalsContact OE2-NE 3.07Å; E1402-R1405 IonicContact OE2-NH2 2.72Å; E1402-R1405 PolarHBondContact OE2-NH2 3.49Å; Q1403-R1405 VanDerWaalsContact C-N 3.29Å; Q1403-R1405 PolarHBondContact O-N 3.37Å; R1405-L1407 VanDerWaalsContact C-N 3.31Å; R1405-L1407 PolarHBondContact O-N 3.36Å; R1405-N1408 PolarHBondContact O-N 3.35Å; R1405-D1409 WeakPolarHBondContact O-CB 3.46Å; R1405-D1409 PolarHBondContact O-N 3.44Å |
| 1406 | Q | 69.1 | Low | 59 | Low | 106 Ų | 106 | 108.3 Ų | 108.3 | 50% | 0.495 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -35.1 | 176.1 | -74.1 | 169.7 | 25.3 | 0 | 0 | 112.4 | E1402 Q1403 C1410 | E1402-Q1406 WeakPolarHBondContact O-CB 3.37Å; E1402-Q1406 VanDerWaalsContact O-CG 3.29Å; E1402-Q1406 WeakPolarHBondContact O-CG 3.48Å; E1402-Q1406 PolarHBondContact O-N 3.42Å; E1402-Q1406 PolarHBondContact OE1-NE2 3.01Å; Q1403-Q1406 PolarHBondContact O-N 3.17Å; Q1406-C1410 WeakPolarHBondContact O-CB 3.22Å; Q1406-C1410 PolarHBondContact O-N 3.14Å; Q1406-C1410 PolarHBondContact O-SG 3.08Å |
| 1407 | L | 62.1 | Low | 57 | Low | 101 Ų | 101 | 108.9 Ų | 108.9 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -49.3 | 172.5 | -167.6 | 82.1 | 0 | 0 | 0 | 111 | Q1403 L1404 R1405 D1409 C1410 I1411 | Q1403-L1407 WeakPolarHBondContact O-CB 3.32Å; Q1403-L1407 PolarHBondContact O-N 2.92Å; L1404-L1407 PolarHBondContact O-N 3.46Å; R1405-L1407 VanDerWaalsContact C-N 3.31Å; R1405-L1407 PolarHBondContact O-N 3.36Å; L1407-D1409 PolarHBondContact O-N 3.3Å; L1407-C1410 WeakPolarHBondContact O-CB 3.2Å; L1407-C1410 PolarHBondContact O-N 2.98Å; L1407-C1410 VanDerWaalsContact O-N 3.11Å; L1407-I1411 HydrophobicContact CD2-CD1 4.38Å; L1407-I1411 HydrophobicContact CG-CD1 4.11Å; L1407-I1411 VanDerWaalsContact O-CG1 3.31Å; L1407-I1411 WeakPolarHBondContact O-CG1 3.33Å; L1407-I1411 PolarHBondContact O-N 3.15Å |
| 1408 | N | 58.9 | Low | 54.8 | Low | 93 Ų | 93 | 111.2 Ų | 111.2 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.9 | -37.9 | 177 | -74.7 | -14.1 | 0 | 0 | 0 | 112.2 | L1404 R1405 C1410 I1411 E1412 | L1404-N1408 WeakPolarHBondContact O-CB 3.33Å; L1404-N1408 PolarHBondContact O-N 3.47Å; R1405-N1408 PolarHBondContact O-N 3.35Å; N1408-C1410 VanDerWaalsContact C-N 3.29Å; N1408-C1410 PolarHBondContact O-N 2.84Å; N1408-I1411 CarbonylContact O-C 3.51Å; N1408-I1411 PolarHBondContact O-N 3.04Å; N1408-E1412 WeakPolarHBondContact O-CB 3.22Å; N1408-E1412 PolarHBondContact O-N 3.33Å |
| 1409 | D | 63.6 | Low | 52.4 | Low | 61 Ų | 61 | 117.3 Ų | 117.3 | 33% | 0.326 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.9 | -35.6 | 171 | -101.3 | 52.6 | 0 | 0 | 0 | 111.4 | R1405 L1407 K1413 | R1405-D1409 WeakPolarHBondContact O-CB 3.46Å; R1405-D1409 PolarHBondContact O-N 3.44Å; L1407-D1409 PolarHBondContact O-N 3.3Å; D1409-K1413 WeakPolarHBondContact O-CB 3.34Å; D1409-K1413 VanDerWaalsContact O-CD 3.29Å; D1409-K1413 WeakPolarHBondContact O-CD 3.28Å; D1409-K1413 WeakPolarHBondContact O-CG 3.35Å; D1409-K1413 PolarHBondContact O-N 3.34Å; D1409-K1413 IonicContact OD2-NZ 2.95Å; D1409-K1413 PolarHBondContact OD2-NZ 3.07Å |
| 1410 | C | 46.1 | Very low | 50.3 | Low | 81 Ų | 81 | 120.9 Ų | 120.9 | 55% | 0.547 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71.3 | -38.6 | 173.1 | -78.1 | 0 | 0 | 0 | 0 | 111.2 | Q1406 L1407 N1408 K1413 V1414 | Q1406-C1410 WeakPolarHBondContact O-CB 3.22Å; Q1406-C1410 PolarHBondContact O-N 3.14Å; Q1406-C1410 PolarHBondContact O-SG 3.08Å; L1407-C1410 WeakPolarHBondContact O-CB 3.2Å; L1407-C1410 PolarHBondContact O-N 2.98Å; L1407-C1410 VanDerWaalsContact O-N 3.11Å; N1408-C1410 VanDerWaalsContact C-N 3.29Å; N1408-C1410 PolarHBondContact O-N 2.84Å; C1410-K1413 PolarHBondContact O-N 3.33Å; C1410-V1414 WeakPolarHBondContact O-CG2 3.3Å; C1410-V1414 PolarHBondContact O-N 3.13Å |
| 1411 | I | 47.1 | Very low | 48.1 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 54% | 0.538 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.6 | -40 | 176.1 | -66.2 | 162.2 | 0 | 0 | 0 | 111 | L1407 N1408 V1414 | L1407-I1411 HydrophobicContact CD2-CD1 4.38Å; L1407-I1411 HydrophobicContact CG-CD1 4.11Å; L1407-I1411 VanDerWaalsContact O-CG1 3.31Å; L1407-I1411 WeakPolarHBondContact O-CG1 3.33Å; L1407-I1411 PolarHBondContact O-N 3.15Å; N1408-I1411 CarbonylContact O-C 3.51Å; N1408-I1411 PolarHBondContact O-N 3.04Å; I1411-V1414 CarbonylContact O-C 3.58Å; I1411-V1414 WeakPolarHBondContact O-CB 3.12Å; I1411-V1414 PolarHBondContact O-N 3.44Å |
| 1412 | E | 43.3 | Very low | 45.9 | Very low | 146 Ų | 146 | 119.9 Ų | 119.9 | 68% | 0.682 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.3 | -32.6 | 173.1 | -78.3 | -168.1 | 156.5 | 0 | 0 | 112.4 | N1408 V1414 E1415 | N1408-E1412 WeakPolarHBondContact O-CB 3.22Å; N1408-E1412 PolarHBondContact O-N 3.33Å; E1412-V1414 CarbonylContact O-C 3.56Å; E1412-V1414 PolarHBondContact O-N 3.41Å; E1412-E1415 WeakPolarHBondContact O-CG 3.31Å; E1412-E1415 PolarHBondContact O-N 2.81Å |
| 1413 | K | 39.3 | Very low | 43.2 | Very low | 152 Ų | 152 | 124 Ų | 124 | 66% | 0.661 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.6 | -14.5 | 171.3 | -75.4 | 166.1 | -168.6 | 133.9 | 0 | 113 | D1409 C1410 E1415 | D1409-K1413 WeakPolarHBondContact O-CB 3.34Å; D1409-K1413 VanDerWaalsContact O-CD 3.29Å; D1409-K1413 WeakPolarHBondContact O-CD 3.28Å; D1409-K1413 WeakPolarHBondContact O-CG 3.35Å; D1409-K1413 PolarHBondContact O-N 3.34Å; D1409-K1413 IonicContact OD2-NZ 2.95Å; D1409-K1413 PolarHBondContact OD2-NZ 3.07Å; C1410-K1413 PolarHBondContact O-N 3.33Å; K1413-E1415 PolarHBondContact O-N 3.49Å; K1413-E1415 VanDerWaalsContact O-N 3.13Å |
| 1414 | V | 31.3 | Very low | 41.3 | Very low | 113 Ų | 113 | 127 Ų | 127 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -79.8 | 60.9 | 153.6 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | C1410 I1411 E1412 P1416 | C1410-V1414 WeakPolarHBondContact O-CG2 3.3Å; C1410-V1414 PolarHBondContact O-N 3.13Å; I1411-V1414 CarbonylContact O-C 3.58Å; I1411-V1414 WeakPolarHBondContact O-CB 3.12Å; I1411-V1414 PolarHBondContact O-N 3.44Å; E1412-V1414 CarbonylContact O-C 3.56Å; E1412-V1414 PolarHBondContact O-N 3.41Å; V1414-P1416 WeakPolarHBondContact O-CD 3.47Å |
| 1415 | E | 29.9 | Very low | 39 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 62% | 0.621 | 66% | 0.663 | S | S | * | * | trans | -67.2 | 125.2 | 168.3 | -82.3 | -155.5 | 148.9 | 0 | 0 | 108.1 | E1412 K1413 N1417 | E1412-E1415 WeakPolarHBondContact O-CG 3.31Å; E1412-E1415 PolarHBondContact O-N 2.81Å; K1413-E1415 PolarHBondContact O-N 3.49Å; K1413-E1415 VanDerWaalsContact O-N 3.13Å; E1415-N1417 HydrophobicContact CB-CB 4.22Å; E1415-N1417 VanDerWaalsContact CD-ND2 3.29Å; E1415-N1417 PolarHBondContact O-N 2.99Å; E1415-N1417 PolarHBondContact OE2-ND2 3.29Å | ||
| 1416 | P | 36.8 | Very low | 36.6 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 67% | 0.673 | S | S | * | * | trans | -78.4 | 59.7 | 174.5 | 33.7 | -35.2 | 0 | 0 | 0 | 110.7 | V1414 | V1414-P1416 WeakPolarHBondContact O-CD 3.47Š| ||
| 1417 | N | 24.2 | Very low | 34.5 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 57% | 0.572 | 69% | 0.685 | S | S | * | * | trans | -114 | 83.3 | -172.4 | -91.4 | -27.8 | 0 | 0 | 0 | 112.9 | E1415 | E1415-N1417 HydrophobicContact CB-CB 4.22Å; E1415-N1417 VanDerWaalsContact CD-ND2 3.29Å; E1415-N1417 PolarHBondContact O-N 2.99Å; E1415-N1417 PolarHBondContact OE2-ND2 3.29Å | ||
| 1418 | C | 23.7 | Very low | 32.5 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | trans | -148.4 | 49 | 158.1 | -98.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1419 | Y | 24 | Very low | 30.7 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 72% | 0.718 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -123.8 | 135.5 | 147.9 | -80.8 | -77.4 | 0 | 0 | 0 | 108.8 | ||
| 1420 | H | 25 | Very low | 28.9 | Very low | 184 Ų | 184 | 136.9 Ų | 136.9 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | trans | 64.5 | 82.6 | -175.6 | -57.2 | -64.1 | 0 | 0 | 0 | 117.1 | ||||
| 1421 | N | 23.1 | Very low | 27.6 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | -135.2 | 112.3 | 126.1 | -150.9 | -8.5 | 0 | 0 | 0 | 109.3 | N1423 | N1421-N1423 PolarHBondContact O-N 2.71Š| |||
| 1422 | P | 28.4 | Very low | 26.4 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | trans | -81.3 | 120.6 | -176.7 | 31.4 | -31.7 | 0 | 0 | 0 | 110.3 | ||||
| 1423 | N | 21.6 | Very low | 25.4 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -179.7 | 157 | 144 | -92.3 | -40.3 | 0 | 0 | 0 | 110.3 | N1421 | N1421-N1423 PolarHBondContact O-N 2.71Š| ||
| 1424 | L | 24.9 | Very low | 24.5 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | 75.5 | 51.5 | 177.1 | -57.2 | 165.2 | 0 | 0 | 0 | 116.6 | ||||
| 1425 | S | 22 | Very low | 24 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -101.3 | 136.7 | 133.9 | 58.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1426 | H | 25.1 | Very low | 23.6 | Very low | 168 Ų | 168 | 139 Ų | 139 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | trans | 67.1 | 130.2 | 177 | -54.8 | -73.4 | 0 | 0 | 0 | 115.4 | ||||
| 1427 | T | 23.8 | Very low | 22.7 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | cis | -154.3 | 161.2 | 8.4 | 12.2 | 0 | 0 | 0 | 0 | 111 | S1429 | T1427-S1429 PolarHBondContact O-N 3.31Š| ||
| 1428 | L | 20.1 | Very low | 22.5 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -62.2 | 124.1 | 152.9 | -69.3 | 100.1 | 0 | 0 | 0 | 109.4 | ||||
| 1429 | S | 22.6 | Very low | 22.3 | Very low | 93 Ų | 93 | 146.8 Ų | 146.8 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | 171.1 | 131.6 | 134.5 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | T1427 | T1427-S1429 PolarHBondContact O-N 3.31Š| ||
| 1430 | H | 24.1 | Very low | 22.2 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | 68.1 | 104.4 | 156.6 | -59.1 | -55.6 | 0 | 0 | 0 | 121.4 | ||||
| 1431 | S | 19.7 | Very low | 22.8 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | 32.1 | 135 | 121.6 | 56.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1432 | T | 22.4 | Very low | 22.9 | Very low | 120 Ų | 120 | 139 Ų | 139 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | 69.6 | 112.7 | 147.2 | 51.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1433 | Q | 21.2 | Very low | 22.7 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | 66.4 | 119.8 | 132.6 | -65.6 | -176.7 | -6.6 | 0 | 0 | 121.2 | ||||
| 1434 | S | 19.8 | Very low | 22.8 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | 69.9 | 129.4 | 131.2 | -82.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 1435 | V | 20.9 | Very low | 22.7 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | 83.5 | 109.1 | 132.7 | 174.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1436 | H | 21.8 | Very low | 23.5 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 56.9 | 121 | 140.3 | -73.5 | -22.8 | 0 | 0 | 0 | 123.7 | ||||
| 1437 | K | 18.6 | Very low | 23.5 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | 74.7 | 144.1 | 122.9 | -71.8 | -179.6 | 175 | 175.2 | 0 | 121 | |||||
| 1438 | I | 19.6 | Very low | 23.4 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 88.2 | 98.6 | 148.9 | -69.1 | 152.9 | 0 | 0 | 0 | 118.8 | ||||
| 1439 | R | 19.4 | Very low | 23.9 | Very low | 213 Ų | 213 | 140.1 Ų | 140.1 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | 76.5 | 111.9 | 112.4 | -160.9 | -176.9 | -173.9 | 173.9 | -0.5 | 122.5 | |||||
| 1440 | D | 21.9 | Very low | 24 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | 50.7 | -175.7 | 138.4 | -43.4 | -31.8 | 0 | 0 | 0 | 120.1 | ||||
| 1441 | P | 38.3 | Very low | 23.8 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | -133.1 | 154.8 | -92.9 | 39.9 | -22.9 | 0 | 0 | 0 | 115.2 | |||||
| 1442 | S | 25.4 | Very low | 23.9 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | -164 | 135.5 | 156.4 | 59.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1443 | N | 22.9 | Very low | 23.9 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | 68.5 | 116.9 | 130.7 | -75.6 | -28.4 | 0 | 0 | 0 | 125.3 | ||||
| 1444 | R | 23.9 | Very low | 24 | Very low | 227 Ų | 227 | 138.3 Ų | 138.3 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | 113.9 | 130.9 | 116.9 | -77.8 | 169.7 | -168.1 | -147.5 | 3.1 | 121.2 | |||||
| 1445 | T | 23.5 | Very low | 24.3 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | -75.4 | 176.8 | 170.7 | 48 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1446 | P | 37.6 | Very low | 24.5 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | cis | -146.9 | 179.5 | 22.2 | 43.8 | -23.5 | 0 | 0 | 0 | 118.8 | ||||
| 1447 | N | 25.3 | Very low | 24.7 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | 155.4 | 133.2 | 118.9 | -155.4 | 24.6 | 0 | 0 | 0 | 115.5 | |||||
| 1448 | N | 22.9 | Very low | 24.9 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | trans | 38.4 | 107.3 | 161.7 | -68.3 | -8.9 | 0 | 0 | 0 | 123.9 | ||||
| 1449 | N | 30.2 | Very low | 25.1 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | -161.2 | 156.9 | 128.5 | -118.7 | -13.9 | 0 | 0 | 0 | 111.9 | |||||
| 1450 | T | 23.8 | Very low | 25.2 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | trans | -61.5 | 126.1 | 172.6 | 38.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1451 | N | 20.3 | Very low | 25.2 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | 91.2 | 146.7 | 78.9 | -160.4 | 23 | 0 | 0 | 0 | 111.8 | |||||
| 1452 | I | 22.3 | Very low | 24.4 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | 76.1 | 112 | 172.6 | -52.5 | 171.6 | 0 | 0 | 0 | 116.1 | ||||
| 1453 | N | 22.7 | Very low | 24.3 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | 59.4 | 130.9 | 159.2 | -56.3 | -14.7 | 0 | 0 | 0 | 117.9 | ||||
| 1454 | G | 23.7 | Very low | 24.3 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | cis | 138.9 | 138.5 | 10.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1455 | N | 26.3 | Very low | 24.2 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | 66.3 | 94.2 | -172.7 | -58.3 | -22.4 | 0 | 0 | 0 | 113.5 | ||||
| 1456 | N | 24.3 | Very low | 24.1 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | 70 | 146.8 | 62.2 | -62.5 | -33.5 | 0 | 0 | 0 | 114 | |||||
| 1457 | N | 25.7 | Very low | 23.4 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | trans | 75.8 | 107.7 | 151.3 | -64 | -8 | 0 | 0 | 0 | 115.6 | ||||
| 1458 | H | 23.4 | Very low | 23.4 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | 85.5 | 109.5 | 74.6 | -80.7 | -39.9 | 0 | 0 | 0 | 110.4 | |||||
| 1459 | I | 23.7 | Very low | 23.3 | Very low | 125 Ų | 125 | 141 Ų | 141 | 64% | 0.641 | 75% | 0.753 | S | S | * | * | 85.1 | 130.2 | 100.2 | -75.2 | 177 | 0 | 0 | 0 | 111.8 | |||||
| 1460 | N | 21.9 | Very low | 23.1 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 67.7 | 126.2 | 170.2 | -61.5 | -15.4 | 0 | 0 | 0 | 115 | G1462 | N1460-G1462 VanDerWaalsContact C-N 3.32Š| ||
| 1461 | N | 20.8 | Very low | 23.4 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 96% | 0.963 | 76% | 0.759 | S | S | * | * | cis | 49.1 | 49.9 | 19.7 | -104 | 11.4 | 0 | 0 | 0 | 112.3 | ||||
| 1462 | G | 22.4 | Very low | 23.7 | Very low | 57 Ų | 57 | 145.6 Ų | 145.6 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | trans | -143.9 | 115.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | N1460 | N1460-G1462 VanDerWaalsContact C-N 3.32Š| ||
| 1463 | K | 22.8 | Very low | 24.3 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -41.2 | 142.4 | 168.7 | -56.9 | 162.4 | 178.2 | 175.2 | 0 | 110.4 | ||||
| 1464 | F | 22.5 | Very low | 24.9 | Very low | 180 Ų | 180 | 143 Ų | 143 | 79% | 0.789 | 75% | 0.749 | S | S | * | * | -166.5 | 132.5 | 108.3 | -108.6 | -74.5 | 0 | 0 | 0 | 112.9 | |||||
| 1465 | D | 22.2 | Very low | 25.3 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | trans | 23.7 | 138.7 | 155.1 | -73.5 | -35.8 | 0 | 0 | 0 | 124.4 | ||||
| 1466 | R | 22.1 | Very low | 25.7 | Very low | 213 Ų | 213 | 144.1 Ų | 144.1 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | 22.1 | 118.2 | 127.5 | -49.3 | 174.5 | -176.9 | -165.1 | -1.4 | 116.2 | |||||
| 1467 | N | 22 | Very low | 26.2 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | -170.9 | 164.8 | 113.4 | -99.2 | -33.1 | 0 | 0 | 0 | 113.5 | |||||
| 1468 | L | 25.4 | Very low | 26.7 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | trans | 76.1 | 87.3 | 166.1 | -67.6 | 159.6 | 0 | 0 | 0 | 118.1 | ||||
| 1469 | S | 21.8 | Very low | 27.1 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | -50.7 | 166.9 | 131.8 | 50.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1470 | R | 26 | Very low | 27.7 | Very low | 231 Ų | 231 | 143.5 Ų | 143.5 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | trans | 95.9 | 96.5 | 175.9 | -58.5 | -179.2 | 173 | -155.8 | -2.5 | 115.5 | ||||
| 1471 | Q | 28.4 | Very low | 28.2 | Very low | 193 Ų | 193 | 139.2 Ų | 139.2 | 90% | 0.902 | 70% | 0.7 | S | S | * | * | -166.8 | 134.6 | 95.3 | -102.2 | 172.5 | -6.9 | 0 | 0 | 112 | |||||
| 1472 | S | 27.8 | Very low | 28.8 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -105.4 | 136.3 | 168.7 | 50.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1473 | T | 35.3 | Very low | 29.1 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | trans | -154.9 | -35.3 | 157.8 | 12.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1474 | D | 35.3 | Very low | 29.6 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -78.2 | -30.4 | -166.1 | -58.3 | -37.7 | 0 | 0 | 0 | 115.4 | I1476 S1477 | D1474-I1476 VanDerWaalsContact C-N 3.28Å; D1474-I1476 PolarHBondContact O-N 3.16Å; D1474-S1477 PolarHBondContact O-N 3.47Å |
| 1475 | E | 30.8 | Very low | 30.2 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 62% | 0.621 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69 | -24.6 | -176.4 | -149.2 | -160.6 | 147.1 | 0 | 0 | 113.3 | R1479 | E1475-R1479 PolarHBondContact O-N 3.28Å; E1475-R1479 IonicContact OE1-CZ 2.67Å; E1475-R1479 IonicContact OE1-NE 2.95Å; E1475-R1479 PolarHBondContact OE1-NE 3.42Å; E1475-R1479 IonicContact OE1-NH2 3.36Å; E1475-R1479 PolarHBondContact OE1-NH2 3.37Å |
| 1476 | I | 36.2 | Very low | 30.6 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 52% | 0.523 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -74.1 | -40.3 | 178.9 | -62.1 | 176 | 0 | 0 | 0 | 110.3 | D1474 Y1478 R1479 Q1480 | D1474-I1476 VanDerWaalsContact C-N 3.28Å; D1474-I1476 PolarHBondContact O-N 3.16Å; I1476-Y1478 VanDerWaalsContact C-N 3.35Å; I1476-Y1478 PolarHBondContact O-N 3.25Å; I1476-R1479 PolarHBondContact O-N 3.47Å; I1476-Q1480 HydrophobicContact CG2-CG 4.28Å; I1476-Q1480 WeakPolarHBondContact O-CG 3.49Å; I1476-Q1480 PolarHBondContact O-N 3.11Å |
| 1477 | S | 34.3 | Very low | 31 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 53% | 0.531 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -58.2 | -44.7 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | D1474 Q1480 A1481 | D1474-S1477 PolarHBondContact O-N 3.47Å; S1477-Q1480 PolarHBondContact O-N 2.92Å; S1477-A1481 WeakPolarHBondContact O-CB 3.29Å; S1477-A1481 PolarHBondContact O-N 2.95Å |
| 1478 | Y | 36.6 | Very low | 31.3 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.6 | -41.1 | 179 | -166.7 | -104.8 | 0 | 0 | 0 | 112.8 | I1476 A1481 R1482 | I1476-Y1478 VanDerWaalsContact C-N 3.35Å; I1476-Y1478 PolarHBondContact O-N 3.25Å; Y1478-A1481 PolarHBondContact O-N 3.36Å; Y1478-R1482 PolarHBondContact O-N 3.43Å; Y1478-R1482 VanDerWaalsContact O-N 3.11Å |
| 1479 | R | 30.5 | Very low | 31.5 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.2 | -32.2 | 176.4 | -67.4 | -171.6 | -171.6 | -148.7 | 6.4 | 112.8 | E1475 I1476 R1483 | E1475-R1479 PolarHBondContact O-N 3.28Å; E1475-R1479 IonicContact OE1-CZ 2.67Å; E1475-R1479 IonicContact OE1-NE 2.95Å; E1475-R1479 PolarHBondContact OE1-NE 3.42Å; E1475-R1479 IonicContact OE1-NH2 3.36Å; E1475-R1479 PolarHBondContact OE1-NH2 3.37Å; I1476-R1479 PolarHBondContact O-N 3.47Å; R1479-R1483 PolarHBondContact O-N 2.75Å |
| 1480 | Q | 36 | Very low | 31.7 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 52% | 0.523 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -70.9 | -42.3 | 172.8 | -74.4 | -170.9 | 2.7 | 0 | 0 | 112.2 | I1476 S1477 R1482 R1483 K1484 | I1476-Q1480 HydrophobicContact CG2-CG 4.28Å; I1476-Q1480 WeakPolarHBondContact O-CG 3.49Å; I1476-Q1480 PolarHBondContact O-N 3.11Å; S1477-Q1480 PolarHBondContact O-N 2.92Å; Q1480-R1482 VanDerWaalsContact C-N 3.34Å; Q1480-R1482 PolarHBondContact O-N 3.41Å; Q1480-R1483 PolarHBondContact O-N 2.94Å; Q1480-K1484 PolarHBondContact O-N 3.37Å |
| 1481 | A | 33.1 | Very low | 31.7 | Very low | 47 Ų | 47 | 133 Ų | 133 | 39% | 0.388 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -56 | -48.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1477 Y1478 R1483 K1484 I1485 | S1477-A1481 WeakPolarHBondContact O-CB 3.29Å; S1477-A1481 PolarHBondContact O-N 2.95Å; Y1478-A1481 PolarHBondContact O-N 3.36Å; A1481-R1483 VanDerWaalsContact C-N 3.33Å; A1481-R1483 PolarHBondContact O-N 3.33Å; A1481-K1484 PolarHBondContact O-N 3.28Å; A1481-I1485 WeakPolarHBondContact O-CG1 3.4Å; A1481-I1485 PolarHBondContact O-N 3.32Å; A1481-I1485 VanDerWaalsContact O-N 3.1Å |
| 1482 | R | 32.5 | Very low | 31.5 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 64% | 0.642 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.9 | -27.4 | -179.6 | -152.7 | 172.8 | -168.1 | -101.2 | 2.6 | 113.9 | Y1478 Q1480 I1486 | Y1478-R1482 PolarHBondContact O-N 3.43Å; Y1478-R1482 VanDerWaalsContact O-N 3.11Å; Q1480-R1482 VanDerWaalsContact C-N 3.34Å; Q1480-R1482 PolarHBondContact O-N 3.41Å; R1482-I1486 WeakPolarHBondContact O-CG1 3.37Å |
| 1483 | R | 30.1 | Very low | 31.5 | Very low | 202 Ų | 202 | 132.6 Ų | 132.6 | 76% | 0.762 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.5 | -35.5 | 171.9 | -81.4 | -177.4 | 173.5 | 160.9 | -2.2 | 113.1 | R1479 Q1480 A1481 | R1479-R1483 PolarHBondContact O-N 2.75Å; Q1480-R1483 PolarHBondContact O-N 2.94Å; A1481-R1483 VanDerWaalsContact C-N 3.33Å; A1481-R1483 PolarHBondContact O-N 3.33Å |
| 1484 | K | 32.4 | Very low | 31 | Very low | 153 Ų | 153 | 134 Ų | 134 | 67% | 0.665 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -67 | -39.2 | 175.9 | -74.8 | -175.2 | 175.1 | -175.8 | 0 | 112.1 | Q1480 A1481 I1486 N1487 S1488 | Q1480-K1484 PolarHBondContact O-N 3.37Å; A1481-K1484 PolarHBondContact O-N 3.28Å; K1484-I1486 VanDerWaalsContact C-N 3.29Å; K1484-I1486 PolarHBondContact O-N 3.06Å; K1484-N1487 PolarHBondContact O-N 3.44Å; K1484-S1488 PolarHBondContact O-OG 3.43Å |
| 1485 | I | 35.7 | Very low | 30.5 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 68% | 0.677 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -64.6 | -28.9 | -179.8 | -68.3 | 164.3 | 0 | 0 | 0 | 113.2 | A1481 | A1481-I1485 WeakPolarHBondContact O-CG1 3.4Å; A1481-I1485 PolarHBondContact O-N 3.32Å; A1481-I1485 VanDerWaalsContact O-N 3.1Å |
| 1486 | I | 30.2 | Very low | 30.3 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 60% | 0.6 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -81.1 | -27 | -177 | -67.3 | 173 | 0 | 0 | 0 | 112.5 | R1482 K1484 | R1482-I1486 WeakPolarHBondContact O-CG1 3.37Å; K1484-I1486 VanDerWaalsContact C-N 3.29Å; K1484-I1486 PolarHBondContact O-N 3.06Å |
| 1487 | N | 30.6 | Very low | 30.1 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -112 | 18 | -171.1 | -85.5 | 21.9 | 0 | 0 | 0 | 115.4 | K1484 | K1484-N1487 PolarHBondContact O-N 3.44Š|
| 1488 | S | 28.4 | Very low | 29.8 | Very low | 85 Ų | 85 | 139.8 Ų | 139.8 | 59% | 0.594 | 72% | 0.724 | S | S | * | * | trans | -123.6 | 59.2 | 175.6 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | K1484 | K1484-S1488 PolarHBondContact O-OG 3.43Š| ||
| 1489 | K | 28.9 | Very low | 29.1 | Very low | 211 Ų | 211 | 135 Ų | 135 | 92% | 0.917 | 73% | 0.727 | S | S | * | * | trans | -102.2 | 65.4 | 158.8 | -80 | -167.7 | 175.6 | -174.5 | 0 | 110.2 | ||||
| 1490 | S | 25.8 | Very low | 28.8 | Very low | 93 Ų | 93 | 139 Ų | 139 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | trans | -155.6 | 136.5 | 167.3 | 46.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1491 | N | 27.1 | Very low | 28.6 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | 66.4 | 102.7 | 160.6 | -58.3 | -3.6 | 0 | 0 | 0 | 119.9 | ||||
| 1492 | N | 24.6 | Very low | 28.1 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | trans | 3 | 116.4 | 142.3 | -58.2 | -11.2 | 0 | 0 | 0 | 118.5 | ||||
| 1493 | S | 27.5 | Very low | 27.7 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -167.2 | 153.9 | 133.2 | 42.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1494 | T | 24.8 | Very low | 27.6 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -84.2 | 140.5 | -163.5 | -43.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1495 | P | 25.5 | Very low | 27 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -84.7 | 146.9 | -178.7 | 33.2 | -35.3 | 0 | 0 | 0 | 114.1 | ||||
| 1496 | V | 25.1 | Very low | 26.4 | Very low | 136 Ų | 136 | 148.4 Ų | 148.4 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -125.1 | 139.1 | 175.1 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1497 | P | 31.4 | Very low | 25.9 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -93.2 | 149.3 | -163.2 | 35.5 | -35.7 | 0 | 0 | 0 | 114.6 | ||||
| 1498 | L | 28.7 | Very low | 25.4 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | trans | -115.7 | 106.6 | 172.9 | -90.5 | 164.5 | 0 | 0 | 0 | 111.7 | ||||
| 1499 | G | 22.6 | Very low | 25.2 | Very low | 71 Ų | 71 | 152 Ų | 152 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | trans | -127.5 | 109 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1500 | R | 24.6 | Very low | 24.8 | Very low | 245 Ų | 245 | 151 Ų | 151 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | trans | -171.6 | 115.7 | 163.6 | -103.3 | 176.8 | -161.7 | -176.4 | 6.7 | 109.1 | ||||
| 1501 | V | 30.5 | Very low | 24.6 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 88% | 0.879 | 84% | 0.84 | S | S | * | * | -168.2 | 118.1 | 121.7 | 166.7 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 1502 | L | 23 | Very low | 24.3 | Very low | 155 Ų | 155 | 152.4 Ų | 152.4 | 81% | 0.812 | 84% | 0.843 | S | S | * | * | trans | -152.1 | 115.7 | 166.8 | -103.9 | 173.1 | 0 | 0 | 0 | 107 | ||||
| 1503 | K | 23.4 | Very low | 24.3 | Very low | 202 Ų | 202 | 152.3 Ų | 152.3 | 88% | 0.878 | 84% | 0.837 | S | S | * | * | trans | 169.8 | 162.3 | 147.6 | -99.1 | 170.3 | -178.3 | -174.4 | 0 | 113.3 | ||||
| 1504 | K | 27.9 | Very low | 24.1 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | 77.2 | 107.5 | -175.9 | -56.8 | -174.3 | 177.3 | -176.4 | 0 | 112.7 | ||||
| 1505 | T | 21 | Very low | 24 | Very low | 125 Ų | 125 | 155.4 Ų | 155.4 | 77% | 0.767 | 83% | 0.83 | S | S | * | * | cis | 60.5 | 104.1 | 27.1 | 76.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1506 | Q | 24 | Very low | 23.8 | Very low | 195 Ų | 195 | 155.8 Ų | 155.8 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | -171.5 | 152.8 | 120 | -106 | 168.2 | -26.5 | 0 | 0 | 112.7 | |||||
| 1507 | C | 19 | Very low | 23.6 | Very low | 126 Ų | 126 | 156.7 Ų | 156.7 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -116.1 | 140.2 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1508 | S | 20.5 | Very low | 23.1 | Very low | 109 Ų | 109 | 156.8 Ų | 156.8 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | trans | 173.1 | 116.3 | 148.8 | 49.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1509 | H | 22.5 | Very low | 22.8 | Very low | 186 Ų | 186 | 155 Ų | 155 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | 43.9 | 100.9 | 85.5 | -84.6 | 57.3 | 0 | 0 | 0 | 114.2 | |||||
| 1510 | Q | 21.2 | Very low | 22.9 | Very low | 189 Ų | 189 | 156.6 Ų | 156.6 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | -173.7 | 161.8 | 120.6 | -103 | -176.1 | 26.8 | 0 | 0 | 113.9 | |||||
| 1511 | N | 21.9 | Very low | 22.8 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -56.2 | 157.3 | 178.5 | -57 | -53.4 | 0 | 0 | 0 | 114.8 | ||||
| 1512 | S | 21.9 | Very low | 22.5 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | 179.7 | 160.7 | 107.4 | 45.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1513 | H | 24.4 | Very low | 22.5 | Very low | 167 Ų | 167 | 150.3 Ų | 150.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -91.6 | 157.6 | -177.6 | -111.1 | -59.5 | 0 | 0 | 0 | 112.4 | ||||
| 1514 | N | 22.1 | Very low | 22.8 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | trans | 60.1 | 110.3 | 144.6 | -64.5 | -12.8 | 0 | 0 | 0 | 120.2 | ||||
| 1515 | K | 22.9 | Very low | 22.9 | Very low | 188 Ų | 188 | 143 Ų | 143 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | 39.6 | 134.1 | 114.8 | -79.5 | -173.7 | 174 | -178.5 | 0 | 119.9 | |||||
| 1516 | T | 22 | Very low | 23.4 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | 63.6 | 101.3 | 151.1 | 53.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 1517 | N | 21.1 | Very low | 23.9 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | -154.6 | 171.4 | 99.6 | -135 | -15.8 | 0 | 0 | 0 | 113.9 | |||||
| 1518 | N | 20.9 | Very low | 24.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | trans | -75 | 165 | 177.7 | -59.5 | -55.9 | 0 | 0 | 0 | 113.7 | ||||
| 1519 | N | 22.6 | Very low | 24.5 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | trans | 69.7 | 163 | 142.9 | -72.3 | -3.2 | 0 | 0 | 0 | 120.1 | ||||
| 1520 | S | 22.9 | Very low | 24.8 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | 86.2 | 101.6 | 176.5 | -33.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1521 | I | 23 | Very low | 25.1 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | 69.6 | 141.4 | 63.2 | -62 | 170.9 | 0 | 0 | 0 | 110.8 | |||||
| 1522 | S | 23.6 | Very low | 25.2 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | trans | 81.9 | 135.1 | 172.6 | -77.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1523 | K | 23 | Very low | 25.6 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | cis | 177.1 | 172.2 | -17.8 | -130.2 | 169.7 | 145.1 | -82.1 | 0 | 107.2 | ||||
| 1524 | D | 30.2 | Very low | 25.8 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 57% | 0.572 | 72% | 0.724 | S | S | * | * | trans | 66.1 | 145.4 | 151.5 | -55.3 | -10.9 | 0 | 0 | 0 | 116.1 | ||||
| 1525 | D | 30.6 | Very low | 26.1 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | cis | -149.7 | 160 | -21.6 | -75.2 | -35.3 | 0 | 0 | 0 | 104.5 | ||||
| 1526 | D | 32.1 | Very low | 26.4 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 66% | 0.658 | 73% | 0.73 | S | S | * | * | cis | -153 | -179.2 | 2.7 | -139.8 | -29 | 0 | 0 | 0 | 111 | ||||
| 1527 | D | 33.5 | Very low | 26.6 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | trans | 57.5 | 120 | 158.5 | -66.8 | -39.3 | 0 | 0 | 0 | 121.5 | ||||
| 1528 | N | 27.1 | Very low | 26.8 | Very low | 118 Ų | 118 | 127 Ų | 127 | 63% | 0.631 | 72% | 0.722 | S | S | * | * | 66.8 | 139.2 | 55.4 | -56.6 | -43.7 | 0 | 0 | 0 | 112.3 | |||||
| 1529 | N | 25.7 | Very low | 26.9 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 66% | 0.658 | 73% | 0.727 | S | S | * | * | cis | -169.6 | 175.7 | -15.4 | -117.4 | 6.7 | 0 | 0 | 0 | 108.7 | ||||
| 1530 | D | 27.6 | Very low | 26.9 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | trans | 62.4 | 116.3 | 145 | -58.1 | -13 | 0 | 0 | 0 | 121.2 | ||||
| 1531 | D | 27.8 | Very low | 26.9 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | 72 | 132.8 | 121.2 | -58.1 | -17.8 | 0 | 0 | 0 | 122.6 | |||||
| 1532 | G | 24.9 | Very low | 26.9 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | 137.8 | 105.5 | 120 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1533 | D | 29.3 | Very low | 26.9 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | 49.8 | 121.9 | 142.5 | -69.6 | 0.9 | 0 | 0 | 0 | 122.4 | ||||
| 1534 | D | 28.8 | Very low | 27 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | 47.6 | 130.8 | 121 | -61.4 | -7.6 | 0 | 0 | 0 | 121.1 | |||||
| 1535 | G | 28.3 | Very low | 26.8 | Very low | 82 Ų | 82 | 133 Ų | 133 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | 167.4 | 69 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1536 | D | 28.6 | Very low | 26.7 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -34.8 | 159.1 | 168.5 | -78.9 | -34.4 | 0 | 0 | 0 | 119.1 | ||||
| 1537 | N | 26.7 | Very low | 26.4 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | 78.7 | 107.2 | 147.8 | -66.3 | -32.3 | 0 | 0 | 0 | 120.6 | ||||
| 1538 | D | 24.9 | Very low | 26.1 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | 42.3 | 98.7 | 112.9 | -64 | -5 | 0 | 0 | 0 | 118 | |||||
| 1539 | N | 23.5 | Very low | 26 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | -169.8 | 153.2 | 126.9 | -103.9 | -54.5 | 0 | 0 | 0 | 113.5 | |||||
| 1540 | Y | 22.6 | Very low | 25.9 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | 63.7 | 125.7 | 148 | -94.4 | -109.2 | 0 | 0 | 0 | 122 | ||||
| 1541 | T | 22.4 | Very low | 25.7 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 63% | 0.632 | 79% | 0.787 | S | S | * | * | trans | 46.2 | 115.7 | 136.8 | 56.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1542 | S | 23.7 | Very low | 26.5 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 31.8 | 112 | 131.8 | 63.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1543 | E | 22.5 | Very low | 26.7 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -143.8 | 123.6 | 140.1 | -121.5 | 163.9 | -159.6 | 0 | 0 | 110.5 | ||||
| 1544 | C | 25.6 | Very low | 26.4 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | trans | -102 | 97.2 | 166.3 | -81 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1545 | D | 26.8 | Very low | 26.1 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -114.7 | 98.6 | 179.7 | -151.3 | 9.8 | 0 | 0 | 0 | 110.8 | ||||
| 1546 | I | 28.8 | Very low | 25.8 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -109 | 96.8 | 167 | -66.3 | 179.8 | 0 | 0 | 0 | 107.1 | ||||
| 1547 | G | 24.5 | Very low | 25.6 | Very low | 54 Ų | 54 | 139.3 Ų | 139.3 | 56% | 0.557 | 78% | 0.778 | S | S | * | * | trans | -81.8 | 152 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1548 | K | 27 | Very low | 25.4 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | 82.5 | 98.1 | 142.8 | -58.6 | 172.4 | -175.9 | 173 | 0 | 118.3 | ||||
| 1549 | T | 26.1 | Very low | 25.2 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -141.9 | 131.9 | 140.2 | -36.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1550 | L | 24.5 | Very low | 25.1 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -24.4 | 120.4 | -179.6 | -64.8 | 116.9 | 0 | 0 | 0 | 121.8 | ||||
| 1551 | I | 23.1 | Very low | 25.2 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | 43.6 | 140.8 | 106.9 | -56.3 | 170.6 | 0 | 0 | 0 | 118.9 | |||||
| 1552 | P | 43.7 | Very low | 25.2 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | cis | -139.7 | 165.3 | -27.7 | 39.6 | -21 | 0 | 0 | 0 | 115.7 | ||||
| 1553 | T | 28.4 | Very low | 25.2 | Very low | 143 Ų | 143 | 140 Ų | 140 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -144.8 | 153.3 | 156.1 | 44.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1554 | H | 23.4 | Very low | 25.2 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | -85.6 | 168.6 | -168.7 | -71 | -106 | 0 | 0 | 0 | 115.2 | ||||
| 1555 | S | 22.3 | Very low | 25.2 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | 64.7 | 137.2 | 149.2 | 50.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1556 | T | 22 | Very low | 25.1 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | cis | 165.5 | 106.5 | -20.9 | 29.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1557 | S | 24.9 | Very low | 24.8 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | 166.8 | 122.9 | 152 | 51.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1558 | I | 21.6 | Very low | 24.7 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | 65.2 | 115.7 | 60.3 | -59.3 | 170.7 | 0 | 0 | 0 | 108.4 | |||||
| 1559 | T | 22.4 | Very low | 24.5 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | cis | -157.8 | 163 | 18.9 | 1.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1560 | T | 21.2 | Very low | 24.8 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | trans | -5.5 | 131 | 150.9 | 54.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1561 | D | 24 | Very low | 24.8 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | 176.7 | 125 | 98.6 | -94.2 | -36 | 0 | 0 | 0 | 109.4 | |||||
| 1562 | R | 21.9 | Very low | 24.9 | Very low | 220 Ų | 220 | 140.3 Ų | 140.3 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | 82.8 | 126.6 | 79.8 | -113.3 | -176.4 | 179.3 | -172.9 | 0.5 | 114.6 | |||||
| 1563 | S | 24.4 | Very low | 24.3 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 60.7 | 157.3 | 162.3 | 34.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1564 | S | 23.4 | Very low | 24.2 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | cis | -177.3 | 144 | -34.3 | 48.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1565 | T | 24.7 | Very low | 24.7 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 18.3 | 117.4 | 151.2 | 55.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1566 | S | 24.2 | Very low | 24.9 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | -176.7 | 150.6 | 120.8 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1567 | N | 22.2 | Very low | 25.5 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | -64.3 | 151.7 | 162 | -54.2 | -38.9 | 0 | 0 | 0 | 110.7 | ||||
| 1568 | S | 22.5 | Very low | 25.5 | Very low | 93 Ų | 93 | 149.2 Ų | 149.2 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | 166.2 | 139 | 114.8 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1569 | D | 23.3 | Very low | 25.7 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | 25.8 | 118.9 | 142.1 | -47.7 | -30.8 | 0 | 0 | 0 | 119.1 | ||||
| 1570 | Y | 32.3 | Very low | 25.9 | Very low | 235 Ų | 235 | 148.9 Ų | 148.9 | 92% | 0.922 | 77% | 0.765 | S | S | * | * | trans | -133.1 | 133.3 | 142.5 | -92.7 | -76.7 | 0 | 0 | 0 | 110.8 | ||||
| 1571 | D | 25.7 | Very low | 25.9 | Very low | 150 Ų | 150 | 152 Ų | 152 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -75.9 | -179.7 | -177.6 | -105.2 | -54 | 0 | 0 | 0 | 113.2 | ||||
| 1572 | Y | 23.3 | Very low | 26 | Very low | 211 Ų | 211 | 151.9 Ų | 151.9 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -30.6 | 140.5 | 159.2 | -91.3 | -109.1 | 0 | 0 | 0 | 114.7 | ||||
| 1573 | D | 32.1 | Very low | 26 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -140.7 | 141.9 | 133.9 | -106.9 | -34.1 | 0 | 0 | 0 | 111.4 | ||||
| 1574 | D | 26.6 | Very low | 26.3 | Very low | 129 Ų | 129 | 149 Ų | 149 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | trans | -89.4 | 133 | -179.6 | 176.3 | 23.4 | 0 | 0 | 0 | 109.6 | ||||
| 1575 | Y | 33.6 | Very low | 26.2 | Very low | 199 Ų | 199 | 153.2 Ų | 153.2 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -145.4 | 88.6 | 167.1 | -102.5 | -80 | 0 | 0 | 0 | 111.8 | D1577 | Y1575-D1577 VanDerWaalsContact C-N 3.32Å; Y1575-D1577 PolarHBondContact O-N 3.09Å; Y1575-D1577 VanDerWaalsContact O-N 3.12Å | ||
| 1576 | D | 26.7 | Very low | 26.2 | Very low | 127 Ų | 127 | 154.7 Ų | 154.7 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | trans | -73.1 | 79.3 | 163 | -175.1 | 32.3 | 0 | 0 | 0 | 110 | R1578 | D1576-R1578 PolarHBondContact O-N 3.06Š| ||
| 1577 | D | 34.5 | Very low | 26.2 | Very low | 141 Ų | 141 | 155 Ų | 155 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -84.3 | 102.2 | -177.6 | -124.8 | -0.5 | 0 | 0 | 0 | 111.8 | Y1575 | Y1575-D1577 VanDerWaalsContact C-N 3.32Å; Y1575-D1577 PolarHBondContact O-N 3.09Å; Y1575-D1577 VanDerWaalsContact O-N 3.12Å | ||
| 1578 | R | 25.1 | Very low | 26.4 | Very low | 196 Ų | 196 | 153.3 Ų | 153.3 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | trans | -74.3 | -179.8 | 166.4 | -61.4 | 178.5 | -179.8 | -174.9 | 0.3 | 110.8 | D1576 | D1576-R1578 PolarHBondContact O-N 3.06Š| ||
| 1579 | I | 26.3 | Very low | 26.3 | Very low | 159 Ų | 159 | 157.3 Ų | 157.3 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | 84.7 | 134 | 159.6 | -57.6 | 169.2 | 0 | 0 | 0 | 113.8 | ||||
| 1580 | T | 25.8 | Very low | 26.5 | Very low | 104 Ų | 104 | 160.1 Ų | 160.1 | 64% | 0.638 | 80% | 0.802 | S | S | * | * | cis | 179.8 | 131 | -16.6 | -83.2 | 0 | 0 | 0 | 0 | 102.4 | ||||
| 1581 | E | 22.1 | Very low | 26.1 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 25.9 | 108.3 | 142.2 | -141.1 | 165.8 | -143.3 | 0 | 0 | 118.3 | ||||
| 1582 | C | 25.8 | Very low | 26.2 | Very low | 132 Ų | 132 | 154.1 Ų | 154.1 | 89% | 0.892 | 78% | 0.782 | S | S | * | * | trans | -130 | 113.3 | 155.5 | -87.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1583 | T | 22.3 | Very low | 26.2 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -77 | 144.3 | 173.3 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1584 | T | 30.3 | Very low | 25.7 | Very low | 144 Ų | 144 | 154.7 Ų | 154.7 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -161.8 | 97.4 | 147.5 | 19.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1585 | E | 20.5 | Very low | 25.6 | Very low | 189 Ų | 189 | 153.6 Ų | 153.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -74.1 | 135.5 | 152.2 | -59.1 | 177.6 | 137.1 | 0 | 0 | 106.9 | ||||
| 1586 | D | 26.2 | Very low | 25.1 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -161.6 | 154.8 | 135.4 | -126.9 | -30.6 | 0 | 0 | 0 | 113.7 | ||||
| 1587 | T | 23.2 | Very low | 25.1 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -109.8 | 140.5 | -173.7 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1588 | S | 26.1 | Very low | 24.7 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -168.8 | 134.6 | 146.2 | 28.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1589 | E | 21.7 | Very low | 24.9 | Very low | 176 Ų | 176 | 150.5 Ų | 150.5 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -44 | 151.9 | 154.7 | -51 | 174.7 | 118.3 | 0 | 0 | 113.5 | ||||
| 1590 | Y | 26.4 | Very low | 24.8 | Very low | 206 Ų | 206 | 152.8 Ų | 152.8 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | -158.1 | 153.9 | 121 | -124.7 | -84.4 | 0 | 0 | 0 | 113.7 | |||||
| 1591 | T | 23.6 | Very low | 24.8 | Very low | 104 Ų | 104 | 154.2 Ų | 154.2 | 64% | 0.638 | 80% | 0.796 | S | S | * | * | trans | -96 | 156 | -174.3 | 54 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1592 | K | 27.3 | Very low | 24.9 | Very low | 155 Ų | 155 | 157.3 Ų | 157.3 | 67% | 0.674 | 80% | 0.801 | S | S | * | * | 167.4 | 124.1 | 121.2 | -88.8 | 152.9 | -166.7 | 163.8 | 0 | 117.1 | |||||
| 1593 | K | 24.2 | Very low | 24.7 | Very low | 171 Ų | 171 | 161.9 Ų | 161.9 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | 65.3 | 123.1 | 123.7 | -66.6 | -178.3 | 179.5 | 178.9 | 0 | 123.3 | |||||
| 1594 | R | 22.2 | Very low | 24.9 | Very low | 210 Ų | 210 | 163.5 Ų | 163.5 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | 94 | 109.5 | 117.5 | -84.6 | -168.5 | 172.6 | -170.5 | -3.1 | 123 | |||||
| 1595 | T | 23.4 | Very low | 24.5 | Very low | 107 Ų | 107 | 161.9 Ų | 161.9 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | 70.8 | 118.3 | 121.5 | 59.2 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1596 | T | 24 | Very low | 24.9 | Very low | 126 Ų | 126 | 159 Ų | 159 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | 86.5 | 135.7 | 126.6 | 55.2 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1597 | K | 26.4 | Very low | 24.8 | Very low | 183 Ų | 183 | 163 Ų | 163 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 89.6 | 107.1 | 149.6 | -79.2 | 176.7 | 179.9 | -179.4 | 0 | 121.1 | ||||
| 1598 | N | 26.6 | Very low | 25.1 | Very low | 137 Ų | 137 | 166.3 Ų | 166.3 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | 75.3 | 134.8 | 127.4 | -67.8 | 9.1 | 0 | 0 | 0 | 123.1 | |||||
| 1599 | N | 27.6 | Very low | 25.3 | Very low | 151 Ų | 151 | 167.7 Ų | 167.7 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | 74 | 116 | 153.5 | -66.9 | -3.3 | 0 | 0 | 0 | 120 | ||||
| 1600 | K | 25.8 | Very low | 26 | Very low | 208 Ų | 208 | 167.8 Ų | 167.8 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -88.6 | 137.1 | 177.4 | -55.4 | 166.7 | 178.9 | 175.7 | 0 | 110.4 | ||||
| 1601 | P | 25.3 | Very low | 26.4 | Very low | 133 Ų | 133 | 164.9 Ų | 164.9 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -106.8 | 177.1 | 145.7 | 33.3 | -26.1 | 0 | 0 | 0 | 111.4 | ||||
| 1602 | R | 23.8 | Very low | 27.2 | Very low | 239 Ų | 239 | 165.2 Ų | 165.2 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -114.9 | 147.8 | -156.4 | -164.4 | -179.4 | -173.4 | -176.4 | 1.1 | 111.8 | ||||
| 1603 | R | 22.7 | Very low | 28 | Very low | 229 Ų | 229 | 167.1 Ų | 167.1 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -13.2 | 133.1 | 165.9 | -66.9 | 175.2 | 169.7 | 171.1 | -4.8 | 117.6 | ||||
| 1604 | I | 25.4 | Very low | 29.2 | Very low | 156 Ų | 156 | 163.9 Ų | 163.9 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | -174.8 | 118.9 | 111.4 | -85.9 | 148.1 | 0 | 0 | 0 | 104.4 | |||||
| 1605 | S | 22.9 | Very low | 31.1 | Very low | 111 Ų | 111 | 157.3 Ų | 157.3 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | cis | 77.1 | 66 | 49.8 | -171.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1606 | T | 28.8 | Very low | 33.7 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -131.5 | 114.3 | 155.3 | 44.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1607 | R | 23.4 | Very low | 36.4 | Very low | 245 Ų | 245 | 155.5 Ų | 155.5 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -0.8 | 119.1 | 158.7 | -65.6 | 173.7 | 170 | 179.3 | -5.8 | 117.1 | ||||
| 1608 | Q | 30.3 | Very low | 39.3 | Very low | 195 Ų | 195 | 152.9 Ų | 152.9 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -123.7 | 143.8 | 138.9 | -79.6 | -175.7 | -31.8 | 0 | 0 | 108.6 | ||||
| 1609 | N | 29.6 | Very low | 42.1 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -70.2 | 143.4 | 170.8 | -58.7 | -37.6 | 0 | 0 | 0 | 108.7 | ||||
| 1610 | H | 35.4 | Very low | 44.8 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | -176.5 | 122 | 132.4 | -94.6 | -65.8 | 0 | 0 | 0 | 110.2 | ||||
| 1611 | L | 35.6 | Very low | 47.7 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | trans | 25.1 | 101.8 | 149.9 | -65.1 | 159.3 | 0 | 0 | 0 | 119.3 | E1613 | L1611-E1613 PolarHBondContact O-N 3.14Š| ||
| 1612 | S | 40.6 | Very low | 50.8 | Low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | 20.1 | 91.4 | 136.3 | 57.2 | 0 | 0 | 0 | 0 | 118.2 | S1614 | S1612-S1614 PolarHBondContact O-N 3.41Š| ||
| 1613 | E | 43.8 | Very low | 53.8 | Low | 194 Ų | 194 | 136.8 Ų | 136.8 | 91% | 0.907 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 121.6 | 158.1 | -67.9 | 178.6 | 151.8 | 0 | 0 | 109.2 | L1611 | L1611-E1613 PolarHBondContact O-N 3.14Š|
| 1614 | S | 48.6 | Very low | 57 | Low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 145.3 | 168.4 | 40.6 | 0 | 0 | 0 | 0 | 110 | S1612 S1616 | S1612-S1614 PolarHBondContact O-N 3.41Å; S1614-S1616 PolarHBondContact O-N 3.11Å |
| 1615 | P | 62.3 | Low | 60.1 | Low | 72 Ų | 72 | 129.9 Ų | 129.9 | 47% | 0.468 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 132.1 | -179.5 | 26.1 | -34.1 | 0 | 0 | 0 | 109.9 | Q1619 L1620 | P1615-Q1619 HydrophobicContact CB-CB 4.45Å; P1615-L1620 HydrophobicContact CB-CG 4.41Å; P1615-L1620 HydrophobicContact CG-CD1 4.23Å; P1615-L1620 HydrophobicContact CG-CG 4.24Å |
| 1616 | S | 78.1 | Confident | 63.3 | Low | 54 Ų | 54 | 130.7 Ų | 130.7 | 38% | 0.378 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 155 | -179.8 | 66.5 | 0 | 0 | 0 | 0 | 111 | S1614 D1618 Q1619 L1620 | S1614-S1616 PolarHBondContact O-N 3.11Å; S1616-D1618 PolarHBondContact O-N 3.37Å; S1616-D1618 VanDerWaalsContact O-N 3.15Å; S1616-Q1619 WeakPolarHBondContact O-CB 3.3Å; S1616-Q1619 PolarHBondContact O-N 3Å; S1616-Q1619 WeakPolarHBondContact OG-CG 3.47Å; S1616-Q1619 PolarHBondContact OG-N 3.38Å; S1616-L1620 PolarHBondContact O-N 3.11Å |
| 1617 | L | 81.4 | Confident | 66.2 | Low | 142 Ų | 142 | 129.7 Ų | 129.7 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -54.6 | -36.5 | 179.2 | -175.2 | 62.5 | 0 | 0 | 0 | 111.8 | L1620 A1621 | L1617-L1620 PolarHBondContact O-N 3.44Å; L1617-A1621 WeakPolarHBondContact O-CB 3.4Å; L1617-A1621 PolarHBondContact O-N 3.39Å |
| 1618 | D | 87.7 | Confident | 69.5 | Low | 127 Ų | 127 | 124.4 Ų | 124.4 | 68% | 0.679 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.6 | -42.1 | 176.1 | -58 | -43.1 | 0 | 0 | 0 | 112.6 | S1616 L1620 A1621 E1622 | S1616-D1618 PolarHBondContact O-N 3.37Å; S1616-D1618 VanDerWaalsContact O-N 3.15Å; D1618-L1620 VanDerWaalsContact C-N 3.3Å; D1618-L1620 PolarHBondContact O-N 2.74Å; D1618-A1621 PolarHBondContact O-N 3.4Å; D1618-E1622 WeakPolarHBondContact O-CB 3.46Å; D1618-E1622 PolarHBondContact O-N 3.07Å |
| 1619 | Q | 84.8 | Confident | 72.5 | Confident | 107 Ų | 107 | 122 Ų | 122 | 50% | 0.5 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.5 | -35.3 | 175 | -72.4 | 171.5 | -1.8 | 0 | 0 | 112.1 | P1615 S1616 K1623 | P1615-Q1619 HydrophobicContact CB-CB 4.45Å; S1616-Q1619 WeakPolarHBondContact O-CB 3.3Å; S1616-Q1619 PolarHBondContact O-N 3Å; S1616-Q1619 WeakPolarHBondContact OG-CG 3.47Å; S1616-Q1619 PolarHBondContact OG-N 3.38Å; Q1619-K1623 WeakPolarHBondContact O-CB 3.09Å; Q1619-K1623 PolarHBondContact O-N 3.14Å |
| 1620 | L | 84.6 | Confident | 75.1 | Confident | 93 Ų | 93 | 120.3 Ų | 120.3 | 49% | 0.487 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.8 | -40 | 173.7 | -82.7 | 164.8 | 0 | 0 | 0 | 111.8 | P1615 S1616 L1617 D1618 L1624 | P1615-L1620 HydrophobicContact CB-CG 4.41Å; P1615-L1620 HydrophobicContact CG-CD1 4.23Å; P1615-L1620 HydrophobicContact CG-CG 4.24Å; S1616-L1620 PolarHBondContact O-N 3.11Å; L1617-L1620 PolarHBondContact O-N 3.44Å; D1618-L1620 VanDerWaalsContact C-N 3.3Å; D1618-L1620 PolarHBondContact O-N 2.74Å; L1620-L1624 WeakPolarHBondContact O-CB 2.94Å; L1620-L1624 PolarHBondContact O-N 2.98Å |
| 1621 | A | 87.4 | Confident | 77.8 | Confident | 53 Ų | 53 | 117.3 Ų | 117.3 | 44% | 0.438 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.9 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L1617 D1618 L1624 Q1625 | L1617-A1621 WeakPolarHBondContact O-CB 3.4Å; L1617-A1621 PolarHBondContact O-N 3.39Å; D1618-A1621 PolarHBondContact O-N 3.4Å; A1621-L1624 WeakPolarHBondContact O-CB 3.18Å; A1621-L1624 PolarHBondContact O-N 3.44Å; A1621-Q1625 PolarHBondContact O-N 3.47Å |
| 1622 | E | 89.4 | Confident | 80.4 | Confident | 141 Ų | 141 | 116.4 Ų | 116.4 | 66% | 0.659 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.3 | -45.5 | 177.3 | -165.6 | 170.7 | -141.2 | 0 | 0 | 111.3 | D1618 L1624 Q1625 E1626 | D1618-E1622 WeakPolarHBondContact O-CB 3.46Å; D1618-E1622 PolarHBondContact O-N 3.07Å; E1622-L1624 VanDerWaalsContact C-N 3.34Å; E1622-L1624 PolarHBondContact O-N 2.8Å; E1622-Q1625 WeakPolarHBondContact O-CB 3.27Å; E1622-Q1625 PolarHBondContact O-N 3.41Å; E1622-Q1625 VanDerWaalsContact O-N 3.13Å; E1622-E1626 PolarHBondContact O-N 3.38Å |
| 1623 | K | 87.7 | Confident | 82.9 | Confident | 137 Ų | 137 | 115.9 Ų | 115.9 | 60% | 0.596 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.9 | -39.4 | 171 | -83.7 | -172.7 | 172.3 | -176.5 | 0 | 113.3 | Q1619 Q1625 E1626 L1627 | Q1619-K1623 WeakPolarHBondContact O-CB 3.09Å; Q1619-K1623 PolarHBondContact O-N 3.14Å; K1623-Q1625 VanDerWaalsContact C-N 3.29Å; K1623-Q1625 PolarHBondContact O-N 2.75Å; K1623-E1626 PolarHBondContact O-N 3.44Å; K1623-L1627 WeakPolarHBondContact O-CB 3.43Å; K1623-L1627 PolarHBondContact O-N 3.47Å |
| 1624 | L | 89.9 | Confident | 85 | Confident | 93 Ų | 93 | 112.3 Ų | 112.3 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.9 | -36.3 | 176.1 | -174.4 | 71.4 | 0 | 0 | 0 | 111.3 | L1620 A1621 E1622 K1628 | L1620-L1624 WeakPolarHBondContact O-CB 2.94Å; L1620-L1624 PolarHBondContact O-N 2.98Å; A1621-L1624 WeakPolarHBondContact O-CB 3.18Å; A1621-L1624 PolarHBondContact O-N 3.44Å; E1622-L1624 VanDerWaalsContact C-N 3.34Å; E1622-L1624 PolarHBondContact O-N 2.8Å; L1624-K1628 WeakPolarHBondContact O-CB 3.32Å; L1624-K1628 VanDerWaalsContact O-CG 3.28Å; L1624-K1628 WeakPolarHBondContact O-CG 3.45Å; L1624-K1628 PolarHBondContact O-N 2.79Å |
| 1625 | Q | 90.3 | Very high | 87.1 | Confident | 146 Ų | 146 | 114 Ų | 114 | 68% | 0.682 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.7 | -38.3 | 176.1 | -169.1 | 170.5 | -1.7 | 0 | 0 | 111.9 | A1621 E1622 K1623 K1628 K1629 | A1621-Q1625 PolarHBondContact O-N 3.47Å; E1622-Q1625 WeakPolarHBondContact O-CB 3.27Å; E1622-Q1625 PolarHBondContact O-N 3.41Å; E1622-Q1625 VanDerWaalsContact O-N 3.13Å; K1623-Q1625 VanDerWaalsContact C-N 3.29Å; K1623-Q1625 PolarHBondContact O-N 2.75Å; Q1625-K1628 PolarHBondContact O-N 2.69Å; Q1625-K1629 PolarHBondContact O-N 3.39Å |
| 1626 | E | 90.4 | Very high | 88.5 | Confident | 128 Ų | 128 | 115.8 Ų | 115.8 | 60% | 0.598 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.6 | -47.1 | 173.1 | -170.6 | 172.4 | -146.6 | 0 | 0 | 111.9 | E1622 K1623 K1628 K1629 M1630 | E1622-E1626 PolarHBondContact O-N 3.38Å; K1623-E1626 PolarHBondContact O-N 3.44Å; E1626-K1628 PolarHBondContact O-N 2.98Å; E1626-K1629 WeakPolarHBondContact O-CB 3.46Å; E1626-K1629 PolarHBondContact O-N 3.49Å; E1626-K1629 VanDerWaalsContact O-N 3.17Å; E1626-M1630 PolarHBondContact O-N 3.16Å |
| 1627 | L | 89.2 | Confident | 89.2 | Confident | 108 Ų | 108 | 119.4 Ų | 119.4 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.1 | -42.4 | 174.8 | -80.8 | 166.3 | 0 | 0 | 0 | 112.7 | K1623 K1629 M1630 L1631 | K1623-L1627 WeakPolarHBondContact O-CB 3.43Å; K1623-L1627 PolarHBondContact O-N 3.47Å; L1627-K1629 VanDerWaalsContact C-N 3.32Å; L1627-K1629 PolarHBondContact O-N 3.36Å; L1627-M1630 PolarHBondContact O-N 2.94Å; L1627-L1631 PolarHBondContact O-N 3.32Å |
| 1628 | K | 91.9 | Very high | 89.7 | Confident | 134 Ų | 134 | 117.4 Ų | 117.4 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.8 | -40.8 | 174.7 | -78.2 | 172 | 179.5 | 175.9 | 0 | 112 | L1624 Q1625 E1626 Q1632 | L1624-K1628 WeakPolarHBondContact O-CB 3.32Å; L1624-K1628 VanDerWaalsContact O-CG 3.28Å; L1624-K1628 WeakPolarHBondContact O-CG 3.45Å; L1624-K1628 PolarHBondContact O-N 2.79Å; Q1625-K1628 PolarHBondContact O-N 2.69Å; E1626-K1628 PolarHBondContact O-N 2.98Å; K1628-Q1632 WeakPolarHBondContact O-CB 3.45Å; K1628-Q1632 PolarHBondContact O-N 3.19Å; K1628-Q1632 VanDerWaalsContact O-N 3.09Å |
| 1629 | K | 93 | Very high | 90 | Very high | 144 Ų | 144 | 115.9 Ų | 115.9 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.9 | -39.9 | 177 | -171.8 | -178.6 | 178.6 | -173.8 | 0 | 111.8 | Q1625 E1626 L1627 Q1632 L1633 | Q1625-K1629 PolarHBondContact O-N 3.39Å; E1626-K1629 WeakPolarHBondContact O-CB 3.46Å; E1626-K1629 PolarHBondContact O-N 3.49Å; E1626-K1629 VanDerWaalsContact O-N 3.17Å; L1627-K1629 VanDerWaalsContact C-N 3.32Å; L1627-K1629 PolarHBondContact O-N 3.36Å; K1629-Q1632 PolarHBondContact O-N 3.49Å; K1629-L1633 WeakPolarHBondContact O-CG 3.13Å; K1629-L1633 PolarHBondContact O-N 2.79Å; K1629-L1633 VanDerWaalsContact O-N 3.1Å |
| 1630 | M | 86 | Confident | 90.4 | Very high | 116 Ų | 116 | 117.9 Ų | 117.9 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.9 | -48.6 | 177 | -166.4 | -176.7 | -67.8 | 0 | 0 | 111.7 | E1626 L1627 Q1632 L1633 E1634 | E1626-M1630 PolarHBondContact O-N 3.16Å; L1627-M1630 PolarHBondContact O-N 2.94Å; M1630-Q1632 VanDerWaalsContact C-N 3.26Å; M1630-Q1632 PolarHBondContact O-N 3.27Å; M1630-L1633 WeakPolarHBondContact O-CB 3.49Å; M1630-L1633 PolarHBondContact O-N 3.1Å; M1630-L1633 VanDerWaalsContact O-N 3.12Å; M1630-E1634 PolarHBondContact O-N 3.44Å |
| 1631 | L | 92.1 | Very high | 90.8 | Very high | 114 Ų | 114 | 116.4 Ų | 116.4 | 60% | 0.597 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.1 | -34.8 | 176.8 | -162.9 | 159.9 | 0 | 0 | 0 | 111.7 | L1627 R1635 | L1627-L1631 PolarHBondContact O-N 3.32Å; L1631-R1635 WeakPolarHBondContact O-CB 3.24Å; L1631-R1635 PolarHBondContact O-N 2.88Å |
| 1632 | Q | 89.3 | Confident | 91.1 | Very high | 127 Ų | 127 | 117.9 Ų | 117.9 | 59% | 0.593 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.9 | -33.5 | 175.8 | -167.9 | 167.7 | 7.2 | 0 | 0 | 113.2 | K1628 K1629 M1630 Q1636 | K1628-Q1632 WeakPolarHBondContact O-CB 3.45Å; K1628-Q1632 PolarHBondContact O-N 3.19Å; K1628-Q1632 VanDerWaalsContact O-N 3.09Å; K1629-Q1632 PolarHBondContact O-N 3.49Å; M1630-Q1632 VanDerWaalsContact C-N 3.26Å; M1630-Q1632 PolarHBondContact O-N 3.27Å; Q1632-Q1636 WeakPolarHBondContact O-CG 3.43Å; Q1632-Q1636 PolarHBondContact O-N 3.05Å |
| 1633 | L | 92.2 | Very high | 91.3 | Very high | 101 Ų | 101 | 113.8 Ų | 113.8 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70 | -46.2 | 172.6 | -71.4 | 168 | 0 | 0 | 0 | 111.6 | K1629 M1630 R1635 Q1636 E1637 | K1629-L1633 WeakPolarHBondContact O-CG 3.13Å; K1629-L1633 PolarHBondContact O-N 2.79Å; K1629-L1633 VanDerWaalsContact O-N 3.1Å; M1630-L1633 WeakPolarHBondContact O-CB 3.49Å; M1630-L1633 PolarHBondContact O-N 3.1Å; M1630-L1633 VanDerWaalsContact O-N 3.12Å; L1633-R1635 VanDerWaalsContact C-N 3.26Å; L1633-R1635 PolarHBondContact O-N 3.46Å; L1633-Q1636 WeakPolarHBondContact O-CB 3.33Å; L1633-Q1636 PolarHBondContact O-N 3.41Å; L1633-E1637 PolarHBondContact O-N 2.86Å |
| 1634 | E | 89.3 | Confident | 91.6 | Very high | 119 Ų | 119 | 110.9 Ų | 110.9 | 56% | 0.556 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -58.9 | -39.7 | 176.4 | -172 | -179.6 | -168.7 | 0 | 0 | 111.4 | M1630 Q1636 E1637 I1638 | M1630-E1634 PolarHBondContact O-N 3.44Å; E1634-Q1636 VanDerWaalsContact C-N 3.33Å; E1634-Q1636 PolarHBondContact O-N 2.89Å; E1634-E1637 PolarHBondContact O-N 3.31Å; E1634-I1638 HydrophobicContact CG-CD1 4.28Å; E1634-I1638 VanDerWaalsContact O-CG1 3.31Å; E1634-I1638 WeakPolarHBondContact O-CG1 3.43Å; E1634-I1638 PolarHBondContact O-N 3.11Å |
| 1635 | R | 91.9 | Very high | 91.7 | Very high | 138 Ų | 138 | 112.7 Ų | 112.7 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.3 | -36.9 | 173.8 | -170 | -178.8 | 176.5 | -65 | -17.1 | 112.7 | L1631 L1633 E1639 | L1631-R1635 WeakPolarHBondContact O-CB 3.24Å; L1631-R1635 PolarHBondContact O-N 2.88Å; L1633-R1635 VanDerWaalsContact C-N 3.26Å; L1633-R1635 PolarHBondContact O-N 3.46Å; R1635-E1639 IonicContact CZ-OE1 3Å; R1635-E1639 IonicContact NH1-OE1 3.26Å; R1635-E1639 PolarHBondContact NH1-OE1 3.05Å; R1635-E1639 IonicContact NH1-OE2 2.77Å; R1635-E1639 PolarHBondContact NH1-OE2 2.7Å; R1635-E1639 IonicContact NH2-OE1 3.26Å; R1635-E1639 PolarHBondContact NH2-OE1 3.15Å; R1635-E1639 WeakPolarHBondContact O-CG 3.4Å; R1635-E1639 PolarHBondContact O-N 3Å; R1635-E1639 VanDerWaalsContact O-N 3.1Å |
| 1636 | Q | 90.9 | Very high | 91.8 | Very high | 109 Ų | 109 | 108.8 Ų | 108.8 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.5 | -42.2 | 176.1 | -76 | 178.1 | -26.3 | 0 | 0 | 111.9 | Q1632 L1633 E1634 I1638 E1639 E1640 | Q1632-Q1636 WeakPolarHBondContact O-CG 3.43Å; Q1632-Q1636 PolarHBondContact O-N 3.05Å; L1633-Q1636 WeakPolarHBondContact O-CB 3.33Å; L1633-Q1636 PolarHBondContact O-N 3.41Å; E1634-Q1636 VanDerWaalsContact C-N 3.33Å; E1634-Q1636 PolarHBondContact O-N 2.89Å; Q1636-I1638 VanDerWaalsContact C-N 3.32Å; Q1636-I1638 PolarHBondContact O-N 3.1Å; Q1636-E1639 PolarHBondContact O-N 3.29Å; Q1636-E1640 PolarHBondContact O-N 3.11Å |
| 1637 | E | 93.6 | Very high | 92 | Very high | 131 Ų | 131 | 106.9 Ų | 106.9 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | 175.9 | -172.4 | 178.5 | 173.6 | 0 | 0 | 111.4 | L1633 E1634 E1639 E1640 V1641 | L1633-E1637 PolarHBondContact O-N 2.86Å; E1634-E1637 PolarHBondContact O-N 3.31Å; E1637-E1639 PolarHBondContact O-N 2.97Å; E1637-E1640 PolarHBondContact O-N 2.81Å; E1637-V1641 WeakPolarHBondContact O-CG2 3.28Å; E1637-V1641 PolarHBondContact O-N 3.01Å |
| 1638 | I | 91.4 | Very high | 92.2 | Very high | 99 Ų | 99 | 105.1 Ų | 105.1 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174 | -67.9 | 166.5 | 0 | 0 | 0 | 111.3 | E1634 Q1636 V1641 V1642 | E1634-I1638 HydrophobicContact CG-CD1 4.28Å; E1634-I1638 VanDerWaalsContact O-CG1 3.31Å; E1634-I1638 WeakPolarHBondContact O-CG1 3.43Å; E1634-I1638 PolarHBondContact O-N 3.11Å; Q1636-I1638 VanDerWaalsContact C-N 3.32Å; Q1636-I1638 PolarHBondContact O-N 3.1Å; I1638-V1641 PolarHBondContact O-N 3.12Å; I1638-V1642 WeakPolarHBondContact O-CB 3.36Å; I1638-V1642 VanDerWaalsContact O-CG2 3.28Å; I1638-V1642 WeakPolarHBondContact O-CG2 3.26Å; I1638-V1642 PolarHBondContact O-N 2.85Å |
| 1639 | E | 93.7 | Very high | 92 | Very high | 95 Ų | 95 | 102.7 Ų | 102.7 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 176.6 | -77.3 | 178.7 | 157.9 | 0 | 0 | 112 | R1635 Q1636 E1637 V1642 A1643 | R1635-E1639 IonicContact CZ-OE1 3Å; R1635-E1639 IonicContact NH1-OE1 3.26Å; R1635-E1639 PolarHBondContact NH1-OE1 3.05Å; R1635-E1639 IonicContact NH1-OE2 2.77Å; R1635-E1639 PolarHBondContact NH1-OE2 2.7Å; R1635-E1639 IonicContact NH2-OE1 3.26Å; R1635-E1639 PolarHBondContact NH2-OE1 3.15Å; R1635-E1639 WeakPolarHBondContact O-CG 3.4Å; R1635-E1639 PolarHBondContact O-N 3Å; R1635-E1639 VanDerWaalsContact O-N 3.1Å; Q1636-E1639 PolarHBondContact O-N 3.29Å; E1637-E1639 PolarHBondContact O-N 2.97Å; E1639-V1642 PolarHBondContact O-N 3.27Å; E1639-A1643 WeakPolarHBondContact O-CB 3.31Å; E1639-A1643 PolarHBondContact O-N 3.24Å |
| 1640 | E | 94 | Very high | 92 | Very high | 149 Ų | 149 | 101.1 Ų | 101.1 | 70% | 0.696 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.1 | -43.7 | 175.7 | -172.5 | 174.2 | -176.8 | 0 | 0 | 112.4 | Q1636 E1637 V1642 A1643 S1644 | Q1636-E1640 PolarHBondContact O-N 3.11Å; E1637-E1640 PolarHBondContact O-N 2.81Å; E1640-V1642 VanDerWaalsContact C-N 3.3Å; E1640-V1642 PolarHBondContact O-N 3.5Å; E1640-A1643 PolarHBondContact O-N 3.37Å; E1640-S1644 WeakPolarHBondContact O-CB 3.49Å; E1640-S1644 PolarHBondContact O-N 3.21Å |
| 1641 | V | 93.3 | Very high | 92.2 | Very high | 63 Ų | 63 | 101.1 Ų | 101.1 | 38% | 0.382 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 176 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | E1637 I1638 K1645 | E1637-V1641 WeakPolarHBondContact O-CG2 3.28Å; E1637-V1641 PolarHBondContact O-N 3.01Å; I1638-V1641 PolarHBondContact O-N 3.12Å; V1641-K1645 HydrophobicContact CG1-CD 4.15Å; V1641-K1645 WeakPolarHBondContact O-CB 3.48Å; V1641-K1645 WeakPolarHBondContact O-CG 3.47Å; V1641-K1645 PolarHBondContact O-N 3.45Å; V1641-K1645 VanDerWaalsContact O-N 3.12Å |
| 1642 | V | 94 | Very high | 92.1 | Very high | 83 Ų | 83 | 101.4 Ų | 101.4 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.5 | -41 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | I1638 E1639 E1640 K1645 T1646 | I1638-V1642 WeakPolarHBondContact O-CB 3.36Å; I1638-V1642 VanDerWaalsContact O-CG2 3.28Å; I1638-V1642 WeakPolarHBondContact O-CG2 3.26Å; I1638-V1642 PolarHBondContact O-N 2.85Å; E1639-V1642 PolarHBondContact O-N 3.27Å; E1640-V1642 VanDerWaalsContact C-N 3.3Å; E1640-V1642 PolarHBondContact O-N 3.5Å; V1642-K1645 PolarHBondContact O-N 3.21Å; V1642-T1646 PolarHBondContact O-N 2.75Å; V1642-T1646 PolarHBondContact O-OG1 3.23Å |
| 1643 | A | 93.1 | Very high | 92.3 | Very high | 55 Ų | 55 | 100.5 Ų | 100.5 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1639 E1640 K1645 T1646 E1647 | E1639-A1643 WeakPolarHBondContact O-CB 3.31Å; E1639-A1643 PolarHBondContact O-N 3.24Å; E1640-A1643 PolarHBondContact O-N 3.37Å; A1643-K1645 PolarHBondContact O-N 3.01Å; A1643-T1646 WeakPolarHBondContact CA-OG1 3.29Å; A1643-T1646 PolarHBondContact O-N 3.38Å; A1643-T1646 PolarHBondContact O-OG1 2.84Å; A1643-E1647 PolarHBondContact O-N 3.33Å |
| 1644 | S | 94.2 | Very high | 92.3 | Very high | 76 Ų | 76 | 103 Ų | 103 | 53% | 0.531 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 176.7 | 179.2 | 0 | 0 | 0 | 0 | 112.2 | E1640 E1647 V1648 | E1640-S1644 WeakPolarHBondContact O-CB 3.49Å; E1640-S1644 PolarHBondContact O-N 3.21Å; S1644-E1647 PolarHBondContact O-N 3.46Å; S1644-V1648 WeakPolarHBondContact O-CG2 3.34Å; S1644-V1648 PolarHBondContact O-N 3.04Å; S1644-V1648 VanDerWaalsContact O-N 3.13Å |
| 1645 | K | 92.1 | Very high | 92.4 | Very high | 132 Ų | 132 | 100.4 Ų | 100.4 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -38.6 | 177.7 | -75.3 | 171.8 | -177.8 | 164.6 | 0 | 113.3 | V1641 V1642 A1643 E1647 V1648 I1649 | V1641-K1645 HydrophobicContact CG1-CD 4.15Å; V1641-K1645 WeakPolarHBondContact O-CB 3.48Å; V1641-K1645 WeakPolarHBondContact O-CG 3.47Å; V1641-K1645 PolarHBondContact O-N 3.45Å; V1641-K1645 VanDerWaalsContact O-N 3.12Å; V1642-K1645 PolarHBondContact O-N 3.21Å; A1643-K1645 PolarHBondContact O-N 3.01Å; K1645-E1647 VanDerWaalsContact C-N 3.32Å; K1645-V1648 PolarHBondContact O-N 3.42Å; K1645-I1649 WeakPolarHBondContact O-CG1 3.39Å; K1645-I1649 PolarHBondContact O-N 2.9Å |
| 1646 | T | 92.5 | Very high | 92.3 | Very high | 63 Ų | 63 | 98.4 Ų | 98.4 | 39% | 0.387 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.9 | -32.7 | 177 | 42.9 | 0 | 0 | 0 | 0 | 112.1 | V1642 A1643 I1649 K1650 | V1642-T1646 PolarHBondContact O-N 2.75Å; V1642-T1646 PolarHBondContact O-OG1 3.23Å; A1643-T1646 WeakPolarHBondContact CA-OG1 3.29Å; A1643-T1646 PolarHBondContact O-N 3.38Å; A1643-T1646 PolarHBondContact O-OG1 2.84Å; T1646-I1649 PolarHBondContact O-N 3.04Å; T1646-K1650 WeakPolarHBondContact O-CG 3.34Å; T1646-K1650 PolarHBondContact O-N 3.17Å; T1646-K1650 VanDerWaalsContact O-N 3.07Å |
| 1647 | E | 93.9 | Very high | 92.3 | Very high | 88 Ų | 88 | 99.3 Ų | 99.3 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.3 | -39.6 | 173.7 | -163.9 | 56.8 | -152.9 | 0 | 0 | 112.6 | A1643 S1644 K1645 I1649 K1650 Q1651 | A1643-E1647 PolarHBondContact O-N 3.33Å; S1644-E1647 PolarHBondContact O-N 3.46Å; K1645-E1647 VanDerWaalsContact C-N 3.32Å; E1647-I1649 VanDerWaalsContact C-N 3.31Å; E1647-I1649 PolarHBondContact O-N 3.2Å; E1647-K1650 PolarHBondContact O-N 3.34Å; E1647-K1650 WeakPolarHBondContact OE2-CD 3.47Å; E1647-K1650 IonicContact OE2-NZ 3.61Å; E1647-K1650 PolarHBondContact OE2-NZ 3.36Å; E1647-Q1651 WeakPolarHBondContact O-CG 3.21Å; E1647-Q1651 PolarHBondContact O-N 2.92Å |
| 1648 | V | 93.1 | Very high | 92.2 | Very high | 71 Ų | 71 | 98.6 Ų | 98.6 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 172.2 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | S1644 K1645 Q1651 Q1652 | S1644-V1648 WeakPolarHBondContact O-CG2 3.34Å; S1644-V1648 PolarHBondContact O-N 3.04Å; S1644-V1648 VanDerWaalsContact O-N 3.13Å; K1645-V1648 PolarHBondContact O-N 3.42Å; V1648-Q1651 PolarHBondContact O-N 3.28Å; V1648-Q1652 WeakPolarHBondContact O-CG 3.33Å; V1648-Q1652 PolarHBondContact O-N 3.16Å; V1648-Q1652 VanDerWaalsContact O-N 3.1Å |
| 1649 | I | 89.2 | Confident | 92 | Very high | 84 Ų | 84 | 99.1 Ų | 99.1 | 43% | 0.431 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 176 | -69.8 | 165.2 | 0 | 0 | 0 | 110.7 | K1645 T1646 E1647 Q1651 Q1652 E1653 | K1645-I1649 WeakPolarHBondContact O-CG1 3.39Å; K1645-I1649 PolarHBondContact O-N 2.9Å; T1646-I1649 PolarHBondContact O-N 3.04Å; E1647-I1649 VanDerWaalsContact C-N 3.31Å; E1647-I1649 PolarHBondContact O-N 3.2Å; I1649-Q1651 VanDerWaalsContact C-N 3.28Å; I1649-Q1651 PolarHBondContact O-N 2.86Å; I1649-Q1652 WeakPolarHBondContact O-CA 3.38Å; I1649-Q1652 WeakPolarHBondContact O-CB 3.37Å; I1649-Q1652 PolarHBondContact O-N 3.09Å; I1649-E1653 HydrophobicContact CG2-CG 4.38Å; I1649-E1653 WeakPolarHBondContact O-CG 3.43Å; I1649-E1653 PolarHBondContact O-N 2.94Å |
| 1650 | K | 92.3 | Very high | 91.7 | Very high | 110 Ų | 110 | 100.6 Ų | 100.6 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58 | -38.2 | 176.2 | -68.3 | 177 | -152.6 | 154.1 | 0 | 112.9 | T1646 E1647 Q1652 E1653 K1654 | T1646-K1650 WeakPolarHBondContact O-CG 3.34Å; T1646-K1650 PolarHBondContact O-N 3.17Å; T1646-K1650 VanDerWaalsContact O-N 3.07Å; E1647-K1650 PolarHBondContact O-N 3.34Å; E1647-K1650 WeakPolarHBondContact OE2-CD 3.47Å; E1647-K1650 IonicContact OE2-NZ 3.61Å; E1647-K1650 PolarHBondContact OE2-NZ 3.36Å; K1650-Q1652 VanDerWaalsContact C-N 3.34Å; K1650-E1653 PolarHBondContact O-N 2.88Å; K1650-K1654 WeakPolarHBondContact O-CB 3.13Å; K1650-K1654 PolarHBondContact O-N 3.17Å |
| 1651 | Q | 90.5 | Very high | 91.2 | Very high | 117 Ų | 117 | 96.9 Ų | 96.9 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 176.1 | -71.1 | 178.4 | 16.6 | 0 | 0 | 112.2 | E1647 V1648 I1649 S1655 | E1647-Q1651 WeakPolarHBondContact O-CG 3.21Å; E1647-Q1651 PolarHBondContact O-N 2.92Å; V1648-Q1651 PolarHBondContact O-N 3.28Å; I1649-Q1651 VanDerWaalsContact C-N 3.28Å; I1649-Q1651 PolarHBondContact O-N 2.86Å; Q1651-S1655 WeakPolarHBondContact O-CB 3.48Å; Q1651-S1655 PolarHBondContact O-N 3.47Å; Q1651-S1655 VanDerWaalsContact O-N 3.1Å; Q1651-S1655 PolarHBondContact O-OG 2.8Å |
| 1652 | Q | 90.3 | Very high | 90.9 | Very high | 119 Ų | 119 | 98.3 Ų | 98.3 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.9 | -43.8 | 173.6 | -69.7 | 177.6 | 6.7 | 0 | 0 | 111.6 | V1648 I1649 K1650 S1655 I1656 | V1648-Q1652 WeakPolarHBondContact O-CG 3.33Å; V1648-Q1652 PolarHBondContact O-N 3.16Å; V1648-Q1652 VanDerWaalsContact O-N 3.1Å; I1649-Q1652 WeakPolarHBondContact O-CA 3.38Å; I1649-Q1652 WeakPolarHBondContact O-CB 3.37Å; I1649-Q1652 PolarHBondContact O-N 3.09Å; K1650-Q1652 VanDerWaalsContact C-N 3.34Å; Q1652-S1655 WeakPolarHBondContact O-CB 3.44Å; Q1652-S1655 PolarHBondContact O-N 3.49Å; Q1652-S1655 VanDerWaalsContact O-N 3.14Å; Q1652-I1656 WeakPolarHBondContact O-CG1 3.39Å; Q1652-I1656 PolarHBondContact O-N 3.48Å |
| 1653 | E | 93.1 | Very high | 90.4 | Very high | 109 Ų | 109 | 98.7 Ų | 98.7 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 175.6 | -70 | 175.2 | 149.8 | 0 | 0 | 111.3 | I1649 K1650 S1655 I1656 E1657 | I1649-E1653 HydrophobicContact CG2-CG 4.38Å; I1649-E1653 WeakPolarHBondContact O-CG 3.43Å; I1649-E1653 PolarHBondContact O-N 2.94Å; K1650-E1653 PolarHBondContact O-N 2.88Å; E1653-S1655 VanDerWaalsContact C-N 3.26Å; E1653-S1655 PolarHBondContact O-N 2.79Å; E1653-I1656 WeakPolarHBondContact O-CA 3.29Å; E1653-I1656 WeakPolarHBondContact O-CB 3.23Å; E1653-I1656 PolarHBondContact O-N 2.98Å; E1653-E1657 PolarHBondContact O-N 3.29Å |
| 1654 | K | 91.9 | Very high | 89.9 | Confident | 152 Ų | 152 | 99.8 Ų | 99.8 | 66% | 0.661 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.3 | -33.7 | 175.2 | -171.3 | 175.9 | -177.5 | 178 | 0 | 113.3 | K1650 Q1658 | K1650-K1654 WeakPolarHBondContact O-CB 3.13Å; K1650-K1654 PolarHBondContact O-N 3.17Å; K1654-Q1658 PolarHBondContact O-N 3.49Å; K1654-Q1658 VanDerWaalsContact O-N 3.08Å |
| 1655 | S | 91.6 | Very high | 89 | Confident | 66 Ų | 66 | 102.9 Ų | 102.9 | 46% | 0.462 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.4 | -34 | 175.1 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | Q1651 Q1652 E1653 L1659 | Q1651-S1655 WeakPolarHBondContact O-CB 3.48Å; Q1651-S1655 PolarHBondContact O-N 3.47Å; Q1651-S1655 VanDerWaalsContact O-N 3.1Å; Q1651-S1655 PolarHBondContact O-OG 2.8Å; Q1652-S1655 WeakPolarHBondContact O-CB 3.44Å; Q1652-S1655 PolarHBondContact O-N 3.49Å; Q1652-S1655 VanDerWaalsContact O-N 3.14Å; E1653-S1655 VanDerWaalsContact C-N 3.26Å; E1653-S1655 PolarHBondContact O-N 2.79Å; S1655-L1659 WeakPolarHBondContact O-CG 3.48Å; S1655-L1659 PolarHBondContact O-N 2.88Å |
| 1656 | I | 90.3 | Very high | 87.9 | Confident | 95 Ų | 95 | 101.7 Ų | 101.7 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.7 | -47.4 | 173.8 | -67.4 | 163.4 | 0 | 0 | 0 | 110 | Q1652 E1653 Q1658 L1659 E1660 | Q1652-I1656 WeakPolarHBondContact O-CG1 3.39Å; Q1652-I1656 PolarHBondContact O-N 3.48Å; E1653-I1656 WeakPolarHBondContact O-CA 3.29Å; E1653-I1656 WeakPolarHBondContact O-CB 3.23Å; E1653-I1656 PolarHBondContact O-N 2.98Å; I1656-Q1658 VanDerWaalsContact C-N 3.29Å; I1656-Q1658 PolarHBondContact O-N 3.36Å; I1656-L1659 PolarHBondContact O-N 3.11Å; I1656-L1659 VanDerWaalsContact O-N 3.11Å; I1656-E1660 HydrophobicContact CG2-CG 4.42Å; I1656-E1660 WeakPolarHBondContact O-CG 3.43Å; I1656-E1660 PolarHBondContact O-N 3.07Å |
| 1657 | E | 90.6 | Very high | 87 | Confident | 129 Ų | 129 | 106.6 Ų | 106.6 | 60% | 0.603 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56.6 | -41.1 | 175.9 | -70.1 | -178.5 | 161.7 | 0 | 0 | 112.3 | E1653 E1660 S1661 | E1653-E1657 PolarHBondContact O-N 3.29Å; E1657-E1660 PolarHBondContact O-N 2.94Å; E1657-S1661 PolarHBondContact O-N 2.74Å |
| 1658 | Q | 90.5 | Very high | 86 | Confident | 115 Ų | 115 | 110.7 Ų | 110.7 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 175.1 | -175.9 | 177.6 | -17.9 | 0 | 0 | 111.6 | K1654 I1656 E1660 S1661 E1662 | K1654-Q1658 PolarHBondContact O-N 3.49Å; K1654-Q1658 VanDerWaalsContact O-N 3.08Å; I1656-Q1658 VanDerWaalsContact C-N 3.29Å; I1656-Q1658 PolarHBondContact O-N 3.36Å; Q1658-E1660 VanDerWaalsContact C-N 3.33Å; Q1658-E1660 PolarHBondContact O-N 3.28Å; Q1658-S1661 PolarHBondContact O-N 3.21Å; Q1658-S1661 VanDerWaalsContact O-N 3.16Å; Q1658-S1661 PolarHBondContact O-OG 2.91Å; Q1658-E1662 PolarHBondContact O-N 2.83Å |
| 1659 | L | 88.4 | Confident | 84.4 | Confident | 110 Ų | 110 | 114 Ų | 114 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.8 | -36.8 | 178.1 | -71.9 | 169.9 | 0 | 0 | 0 | 112.5 | S1655 I1656 S1661 L1663 | S1655-L1659 WeakPolarHBondContact O-CG 3.48Å; S1655-L1659 PolarHBondContact O-N 2.88Å; I1656-L1659 PolarHBondContact O-N 3.11Å; I1656-L1659 VanDerWaalsContact O-N 3.11Å; L1659-S1661 VanDerWaalsContact C-N 3.35Å; L1659-L1663 VanDerWaalsContact O-CB 3.3Å; L1659-L1663 WeakPolarHBondContact O-CB 3.46Å; L1659-L1663 PolarHBondContact O-N 3.23Å |
| 1660 | E | 86.7 | Confident | 82.4 | Confident | 127 Ų | 127 | 115.7 Ų | 115.7 | 59% | 0.593 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.7 | -40.8 | 173 | -70.7 | -172.6 | 158.2 | 0 | 0 | 111.2 | I1656 E1657 Q1658 L1663 D1664 | I1656-E1660 HydrophobicContact CG2-CG 4.42Å; I1656-E1660 WeakPolarHBondContact O-CG 3.43Å; I1656-E1660 PolarHBondContact O-N 3.07Å; E1657-E1660 PolarHBondContact O-N 2.94Å; Q1658-E1660 VanDerWaalsContact C-N 3.33Å; Q1658-E1660 PolarHBondContact O-N 3.28Å; E1660-L1663 PolarHBondContact O-N 3.36Å; E1660-D1664 PolarHBondContact O-N 3.1Å |
| 1661 | S | 84.6 | Confident | 80 | Confident | 70 Ų | 70 | 121.8 Ų | 121.8 | 49% | 0.49 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.2 | -40.7 | 177 | 81.8 | 0 | 0 | 0 | 0 | 113.4 | E1657 Q1658 L1659 L1663 D1664 Q1665 | E1657-S1661 PolarHBondContact O-N 2.74Å; Q1658-S1661 PolarHBondContact O-N 3.21Å; Q1658-S1661 VanDerWaalsContact O-N 3.16Å; Q1658-S1661 PolarHBondContact O-OG 2.91Å; L1659-S1661 VanDerWaalsContact C-N 3.35Å; S1661-L1663 VanDerWaalsContact C-N 3.33Å; S1661-D1664 PolarHBondContact O-N 3.01Å; S1661-Q1665 PolarHBondContact O-N 2.95Å |
| 1662 | E | 85.3 | Confident | 77.6 | Confident | 94 Ų | 94 | 122 Ų | 122 | 44% | 0.439 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.5 | -39.3 | 174.3 | -72.8 | -176.3 | -178.1 | 0 | 0 | 111.2 | Q1658 Q1665 L1666 | Q1658-E1662 PolarHBondContact O-N 2.83Å; E1662-Q1665 PolarHBondContact O-N 3.24Å; E1662-L1666 WeakPolarHBondContact O-CG 3.48Å; E1662-L1666 PolarHBondContact O-N 3.02Å |
| 1663 | L | 83.8 | Confident | 74.9 | Confident | 90 Ų | 90 | 124.9 Ų | 124.9 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.8 | -35.4 | -180 | -164.3 | 135.1 | 0 | 0 | 0 | 112.3 | L1659 E1660 S1661 R1667 | L1659-L1663 VanDerWaalsContact O-CB 3.3Å; L1659-L1663 WeakPolarHBondContact O-CB 3.46Å; L1659-L1663 PolarHBondContact O-N 3.23Å; E1660-L1663 PolarHBondContact O-N 3.36Å; S1661-L1663 VanDerWaalsContact C-N 3.33Å; L1663-R1667 WeakPolarHBondContact O-CG 3.44Å; L1663-R1667 PolarHBondContact O-N 3.43Å; L1663-R1667 VanDerWaalsContact O-N 3.13Å |
| 1664 | D | 82 | Confident | 72 | Confident | 78 Ų | 78 | 129.7 Ų | 129.7 | 42% | 0.417 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73.5 | -29 | 171.2 | -92.8 | -0.8 | 0 | 0 | 0 | 113.6 | E1660 S1661 R1667 K1668 | E1660-D1664 PolarHBondContact O-N 3.1Å; S1661-D1664 PolarHBondContact O-N 3.01Å; D1664-R1667 PolarHBondContact O-N 2.92Å; D1664-R1667 VanDerWaalsContact OD1-CD 3.25Å; D1664-R1667 WeakPolarHBondContact OD1-CD 3.38Å; D1664-R1667 IonicContact OD1-CZ 2.66Å; D1664-R1667 IonicContact OD1-NE 3.64Å; D1664-R1667 IonicContact OD1-NH1 3.99Å; D1664-R1667 PolarHBondContact OD1-NH1 3.32Å; D1664-K1668 PolarHBondContact O-N 2.66Å |
| 1665 | Q | 76.9 | Confident | 69 | Low | 142 Ų | 142 | 131.4 Ų | 131.4 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.4 | -43.9 | 172.2 | -157.6 | 170.3 | 55.3 | 0 | 0 | 110.9 | S1661 E1662 R1667 K1668 | S1661-Q1665 PolarHBondContact O-N 2.95Å; E1662-Q1665 PolarHBondContact O-N 3.24Å; Q1665-R1667 VanDerWaalsContact C-N 3.34Å; Q1665-R1667 PolarHBondContact O-N 3.23Å; Q1665-K1668 PolarHBondContact O-N 3.07Å; Q1665-K1668 VanDerWaalsContact O-N 3.14Å |
| 1666 | L | 69.1 | Low | 66.1 | Low | 107 Ų | 107 | 138.1 Ų | 138.1 | 56% | 0.56 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.1 | -37.5 | 173.1 | -75.1 | 167.9 | 0 | 0 | 0 | 113 | E1662 K1668 E1669 | E1662-L1666 WeakPolarHBondContact O-CG 3.48Å; E1662-L1666 PolarHBondContact O-N 3.02Å; L1666-K1668 VanDerWaalsContact C-N 3.25Å; L1666-K1668 PolarHBondContact O-N 3.42Å; L1666-E1669 PolarHBondContact O-N 2.86Å |
| 1667 | R | 73.2 | Confident | 63.4 | Low | 166 Ų | 166 | 139.3 Ų | 139.3 | 63% | 0.626 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -62.3 | -30.2 | 175 | -77.2 | 165.5 | 171.9 | 168.3 | -0.1 | 113 | L1663 D1664 Q1665 | L1663-R1667 WeakPolarHBondContact O-CG 3.44Å; L1663-R1667 PolarHBondContact O-N 3.43Å; L1663-R1667 VanDerWaalsContact O-N 3.13Å; D1664-R1667 PolarHBondContact O-N 2.92Å; D1664-R1667 VanDerWaalsContact OD1-CD 3.25Å; D1664-R1667 WeakPolarHBondContact OD1-CD 3.38Å; D1664-R1667 IonicContact OD1-CZ 2.66Å; D1664-R1667 IonicContact OD1-NE 3.64Å; D1664-R1667 IonicContact OD1-NH1 3.99Å; D1664-R1667 PolarHBondContact OD1-NH1 3.32Å; Q1665-R1667 VanDerWaalsContact C-N 3.34Å; Q1665-R1667 PolarHBondContact O-N 3.23Å |
| 1668 | K | 72.1 | Confident | 60.6 | Low | 173 Ų | 173 | 139.1 Ų | 139.1 | 75% | 0.752 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.1 | -31.5 | -179.8 | -72.6 | 172.1 | -177.6 | 171.4 | 0 | 113.2 | D1664 Q1665 L1666 H1670 | D1664-K1668 PolarHBondContact O-N 2.66Å; Q1665-K1668 PolarHBondContact O-N 3.07Å; Q1665-K1668 VanDerWaalsContact O-N 3.14Å; L1666-K1668 VanDerWaalsContact C-N 3.25Å; L1666-K1668 PolarHBondContact O-N 3.42Å; K1668-H1670 PolarHBondContact O-N 2.96Å |
| 1669 | E | 59.6 | Low | 57.5 | Low | 142 Ų | 142 | 141.9 Ų | 141.9 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -8.3 | 178.4 | -77.5 | -165.7 | 152.1 | 0 | 0 | 114.3 | L1666 | L1666-E1669 PolarHBondContact O-N 2.86Š|
| 1670 | H | 47.3 | Very low | 54.7 | Low | 118 Ų | 118 | 140.2 Ų | 140.2 | 55% | 0.546 | 71% | 0.709 | S | S | . | * | trans | -117.3 | 62 | -172.6 | -72.4 | 7.7 | 0 | 0 | 0 | 113.9 | F142 K1668 | F142-H1670 AromaticContact CE1-NE2 3.81Å; K1668-H1670 PolarHBondContact O-N 2.96Å | ||
| 1671 | R | 41.7 | Very low | 51.9 | Low | 238 Ų | 238 | 145.7 Ų | 145.7 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | trans | -113.8 | 103 | 161.8 | -82.6 | -166.9 | 179.7 | -169.4 | 2.9 | 112 | ||||
| 1672 | P | 41.6 | Very low | 49 | Very low | 123 Ų | 123 | 151 Ų | 151 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 144.8 | 176.5 | 30.2 | -32.2 | 0 | 0 | 0 | 113.1 | ||
| 1673 | L | 31.8 | Very low | 46.4 | Very low | 179 Ų | 179 | 153.5 Ų | 153.5 | 94% | 0.937 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 140.9 | -178.2 | -70.2 | 161.7 | 0 | 0 | 0 | 112.9 | ||
| 1674 | K | 34 | Very low | 43.6 | Very low | 209 Ų | 209 | 154 Ų | 154 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 133.4 | 178 | -72 | 179.8 | 175.8 | 177.7 | 0 | 111.7 | ||
| 1675 | M | 27.5 | Very low | 40.9 | Very low | 188 Ų | 188 | 159.6 Ų | 159.6 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | trans | -117.1 | 143.8 | 159.8 | -70.4 | -168.6 | 75.8 | 0 | 0 | 110.8 | ||||
| 1676 | K | 31.5 | Very low | 38.4 | Very low | 207 Ų | 207 | 158 Ų | 158 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | trans | -97.2 | 141 | -174.2 | -67.9 | 176.9 | 175.2 | 177 | 0 | 112.6 | ||||
| 1677 | P | 34.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 159.4 Ų | 159.4 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -103 | 171.5 | 151.9 | -1.4 | 23 | 0 | 0 | 0 | 112.4 | ||||
| 1678 | P | 31.5 | Very low | 34 | Very low | 124 Ų | 124 | 156.9 Ų | 156.9 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | trans | -111.2 | 176.9 | -146.3 | 41.6 | -37.5 | 0 | 0 | 0 | 118.5 | ||||
| 1679 | N | 25.6 | Very low | 31.7 | Very low | 173 Ų | 173 | 159.5 Ų | 159.5 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -51.2 | 153.8 | -177.8 | -55.6 | -32.6 | 0 | 0 | 0 | 118 | ||||
| 1680 | G | 28.8 | Very low | 30.1 | Very low | 75 Ų | 75 | 159.7 Ų | 159.7 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | 161.9 | 70 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1681 | R | 27.1 | Very low | 29.1 | Very low | 243 Ų | 243 | 159.9 Ų | 159.9 | 92% | 0.917 | 85% | 0.845 | S | S | * | * | 93.8 | 122.2 | 85.3 | -154.7 | -179.4 | -156 | -174.4 | 6.5 | 113.6 | |||||
| 1682 | H | 25.4 | Very low | 28.1 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 83% | 0.833 | 84% | 0.836 | S | S | * | * | trans | -40.8 | 145.1 | -177.4 | -48.1 | -96.7 | 0 | 0 | 0 | 119.2 | ||||
| 1683 | T | 29.5 | Very low | 27.5 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 91% | 0.908 | 84% | 0.84 | S | S | * | * | -141.9 | 168.6 | 129.5 | 49.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1684 | S | 26.3 | Very low | 27 | Very low | 101 Ų | 101 | 149.4 Ų | 149.4 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | trans | -136.3 | 158.5 | -147.4 | 60.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1685 | K | 25.2 | Very low | 26.6 | Very low | 195 Ų | 195 | 145 Ų | 145 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | 88.5 | 148.5 | 144.5 | -80.5 | 173.8 | 178.3 | -176.2 | 0 | 122.5 | ||||
| 1686 | S | 24.3 | Very low | 26.4 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 67.1 | 126.5 | 166.5 | 56.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1687 | T | 24.1 | Very low | 26.2 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | cis | 92.2 | 92 | 26.6 | 67.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1688 | S | 25.5 | Very low | 25.7 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -172.5 | 116.9 | 142.1 | 45.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1689 | R | 23.4 | Very low | 25.3 | Very low | 228 Ų | 228 | 137.3 Ų | 137.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | cis | 62.3 | 83 | 38.4 | -159.3 | -173.1 | -80.4 | -145.6 | 2 | 113 | V1691 | R1689-V1691 HydrophobicContact CG-CG2 4.21Š| ||
| 1690 | T | 26.4 | Very low | 25.1 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -118.7 | 145.8 | 150.3 | 42.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1691 | V | 25.9 | Very low | 24.8 | Very low | 122 Ų | 122 | 139 Ų | 139 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | trans | -115 | 144.4 | -160.5 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | R1689 | R1689-V1691 HydrophobicContact CG-CG2 4.21Š| ||
| 1692 | S | 20.7 | Very low | 24.8 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -62 | 140.4 | 174.8 | -45.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1693 | P | 29.3 | Very low | 24.6 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -72 | 131.3 | 163.2 | 31.1 | -31.4 | 0 | 0 | 0 | 109.3 | ||||
| 1694 | A | 21.6 | Very low | 24.3 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | -120.2 | 167.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1695 | S | 24.5 | Very low | 24.1 | Very low | 117 Ų | 117 | 135 Ų | 135 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 70.8 | 152.8 | 178.3 | 105.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1696 | S | 23 | Very low | 24.1 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | cis | -179.6 | 129.2 | -22.8 | 43.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1697 | L | 28.8 | Very low | 24.1 | Very low | 184 Ų | 184 | 133.1 Ų | 133.1 | 96% | 0.963 | 79% | 0.788 | S | S | * | * | trans | -141.5 | 141.5 | 164.8 | -99.9 | 172.8 | 0 | 0 | 0 | 111 | ||||
| 1698 | S | 22.8 | Very low | 24 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -105.6 | 160.1 | -163.7 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1699 | S | 22.7 | Very low | 24 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -17 | 135.2 | 155.3 | 54.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1700 | E | 21.5 | Very low | 24 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | 170.2 | 163.6 | 103.5 | -89 | -172 | 167.4 | 0 | 0 | 112.3 | |||||
| 1701 | C | 23.1 | Very low | 23.8 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | trans | 61 | 114.4 | 170 | -60.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 1702 | Y | 26.5 | Very low | 23.7 | Very low | 224 Ų | 224 | 132.8 Ų | 132.8 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | -155.9 | 143.6 | 61.4 | -103.7 | -91.7 | 0 | 0 | 0 | 112.3 | |||||
| 1703 | S | 21.8 | Very low | 24 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -121.2 | 112.9 | 164 | -64.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1704 | S | 23.2 | Very low | 23.8 | Very low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | 172.9 | 129.9 | 146.9 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1705 | N | 22.4 | Very low | 23.8 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 49.4 | 110.7 | 142 | -55 | -8.5 | 0 | 0 | 0 | 119.8 | ||||
| 1706 | L | 25.4 | Very low | 23.8 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | -159.3 | 77.1 | 128.9 | -109.5 | 156 | 0 | 0 | 0 | 110.3 | |||||
| 1707 | S | 23 | Very low | 23.9 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -81.4 | 98.9 | 148.9 | 52.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1708 | D | 23 | Very low | 23.6 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -178.7 | 157.4 | 154.3 | -93.5 | -25.6 | 0 | 0 | 0 | 109.2 | ||||
| 1709 | I | 25.9 | Very low | 24.3 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 99.9 | 59.9 | -170.7 | -51.1 | 158.3 | 0 | 0 | 0 | 113 | ||||
| 1710 | T | 22.1 | Very low | 24.5 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -106 | 78.3 | 141.6 | 49.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1711 | Q | 22.7 | Very low | 24.6 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -160.7 | 145.2 | 165.5 | -111.5 | 174 | 27.1 | 0 | 0 | 110.4 | ||||
| 1712 | N | 23.8 | Very low | 24.7 | Very low | 133 Ų | 133 | 150 Ų | 150 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 97.5 | 76.7 | 178.6 | -59.2 | -18 | 0 | 0 | 0 | 117.7 | ||||
| 1713 | C | 27 | Very low | 24.5 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | S | Bend | -133.6 | 137.8 | 125.6 | -89 | 0 | 0 | 0 | 0 | 108 | |||
| 1714 | H | 26 | Very low | 24.7 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 141.6 | -156 | -80.8 | -87.5 | 0 | 0 | 0 | 115.4 | ||
| 1715 | S | 20.5 | Very low | 24.6 | Very low | 103 Ų | 103 | 149.7 Ų | 149.7 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 134.4 | 155.2 | -45.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1716 | Y | 25.5 | Very low | 24.8 | Very low | 233 Ų | 233 | 151.4 Ų | 151.4 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 132.7 | 150.7 | -100.3 | -91.2 | 0 | 0 | 0 | 108.9 | ||
| 1717 | N | 24.9 | Very low | 24.7 | Very low | 142 Ų | 142 | 150.5 Ų | 150.5 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 146.3 | -178.4 | -80.2 | -42.3 | 0 | 0 | 0 | 111.9 | ||
| 1718 | N | 22.2 | Very low | 24.7 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | 27.5 | 158.5 | 113.4 | -107.2 | 3.4 | 0 | 0 | 0 | 119.8 | |||||
| 1719 | P | 37.8 | Very low | 24.7 | Very low | 87 Ų | 87 | 154.6 Ų | 154.6 | 57% | 0.565 | 78% | 0.781 | S | S | * | * | cis | -137.7 | 168.9 | 0.6 | 40.2 | -23.4 | 0 | 0 | 0 | 115.4 | ||||
| 1720 | F | 26.3 | Very low | 24.6 | Very low | 214 Ų | 214 | 154.5 Ų | 154.5 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -158 | 159.3 | 130.3 | -107.9 | -72.1 | 0 | 0 | 0 | 109.8 | ||||
| 1721 | Y | 24.1 | Very low | 24.6 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | trans | -115.9 | 156.2 | -148.6 | -114.8 | -74.5 | 0 | 0 | 0 | 114.6 | ||||
| 1722 | H | 25.1 | Very low | 24.7 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 64% | 0.644 | 78% | 0.777 | S | S | * | * | trans | 61.9 | 127 | 153.1 | -84.5 | -57.3 | 0 | 0 | 0 | 121.5 | ||||
| 1723 | N | 21.5 | Very low | 24.7 | Very low | 127 Ų | 127 | 153 Ų | 153 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | 24.3 | 129.8 | 122 | -51.8 | -3.7 | 0 | 0 | 0 | 116.7 | |||||
| 1724 | D | 26.1 | Very low | 24.6 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | -152.9 | 161.5 | 73.7 | -103.6 | -32.4 | 0 | 0 | 0 | 116.8 | |||||
| 1725 | I | 20.4 | Very low | 24.5 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -79 | 129.3 | 173 | -65.9 | 160.3 | 0 | 0 | 0 | 108.9 | ||||
| 1726 | H | 27.8 | Very low | 24.7 | Very low | 184 Ų | 184 | 153.4 Ų | 153.4 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | -153.5 | 136.6 | 143.2 | -118.2 | -78.4 | 0 | 0 | 0 | 113.6 | ||||
| 1727 | N | 22.3 | Very low | 24.6 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -58.9 | 141.5 | 170.6 | -65.3 | -63.7 | 0 | 0 | 0 | 110.9 | ||||
| 1728 | N | 24 | Very low | 24.6 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | -148.8 | 128.5 | 113.9 | -137.2 | -5.8 | 0 | 0 | 0 | 112.8 | |||||
| 1729 | K | 21.7 | Very low | 24.8 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -75.2 | 133.8 | 161.2 | -68.1 | 176 | 177.7 | 178.6 | 0 | 106.9 | ||||
| 1730 | N | 24.3 | Very low | 24.3 | Very low | 151 Ų | 151 | 154.4 Ų | 154.4 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | -149 | 91.6 | 149.3 | -108 | -10.4 | 0 | 0 | 0 | 108.9 | ||||
| 1731 | S | 22.9 | Very low | 24 | Very low | 108 Ų | 108 | 152.7 Ų | 152.7 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -63.5 | 133.4 | 152.6 | -63.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 1732 | N | 24.9 | Very low | 24.1 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -151.5 | 83.8 | 146.1 | -107.4 | -8.7 | 0 | 0 | 0 | 108.3 | ||||
| 1733 | N | 23.7 | Very low | 23.9 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -66.2 | 130.3 | 149.5 | -78.4 | -15 | 0 | 0 | 0 | 106.6 | ||||
| 1734 | N | 23.7 | Very low | 24 | Very low | 131 Ų | 131 | 150 Ų | 150 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -133.3 | 80.5 | 168.4 | -139.2 | 15.1 | 0 | 0 | 0 | 109.4 | N1736 | N1734-N1736 PolarHBondContact O-N 2.53Š| ||
| 1735 | T | 25.4 | Very low | 23.9 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | -74.3 | 105.2 | 161.2 | 40 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1736 | N | 24.4 | Very low | 24 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -93.1 | 127.8 | -179.3 | -126.5 | 10.6 | 0 | 0 | 0 | 110.8 | N1734 | N1734-N1736 PolarHBondContact O-N 2.53Š| ||
| 1737 | N | 23.1 | Very low | 23.8 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -94.7 | 153.4 | 176.4 | -111.6 | -7 | 0 | 0 | 0 | 111.3 | ||||
| 1738 | N | 24.9 | Very low | 23.8 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | 60.1 | 156 | 149.1 | -72.1 | -11.8 | 0 | 0 | 0 | 122.7 | ||||
| 1739 | N | 26.7 | Very low | 23.9 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -70.2 | 152.9 | 179.4 | -76 | -46 | 0 | 0 | 0 | 113.2 | ||||
| 1740 | H | 26.2 | Very low | 24 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -58.6 | 137.3 | 164.2 | -67.2 | -98.7 | 0 | 0 | 0 | 112.2 | ||||
| 1741 | F | 21.3 | Very low | 24.1 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | -170.2 | 120.8 | 98.5 | -116.7 | -108.3 | 0 | 0 | 0 | 112.4 | |||||
| 1742 | F | 24.9 | Very low | 24.2 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 57.5 | 101.1 | 154.8 | -77.9 | -104 | 0 | 0 | 0 | 123.8 | ||||
| 1743 | D | 21.4 | Very low | 24.2 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | 82.9 | 145.3 | 101.6 | -151.2 | 14.8 | 0 | 0 | 0 | 123.3 | |||||
| 1744 | S | 23.4 | Very low | 24.3 | Very low | 96 Ų | 96 | 149 Ų | 149 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | 94.1 | 128.3 | 157 | 75.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1745 | S | 24.2 | Very low | 24.3 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 65.1 | 125.1 | 170.5 | 67.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1746 | I | 21.8 | Very low | 24.4 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | cis | 75.5 | 100 | 31.6 | -50.7 | 179.1 | 0 | 0 | 0 | 115.5 | ||||
| 1747 | S | 25.6 | Very low | 24.3 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -165.3 | 156.7 | 129.7 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1748 | N | 22 | Very low | 24.4 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -86 | 162.5 | -175.8 | -60.6 | -60.9 | 0 | 0 | 0 | 112.7 | ||||
| 1749 | Y | 24.6 | Very low | 24.5 | Very low | 236 Ų | 236 | 149.7 Ų | 149.7 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | -157.6 | 143.7 | 126.7 | -111.5 | -73.8 | 0 | 0 | 0 | 113.8 | |||||
| 1750 | H | 23.7 | Very low | 24.4 | Very low | 183 Ų | 183 | 147 Ų | 147 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -104.4 | 142.4 | 175.4 | -108.8 | -72.8 | 0 | 0 | 0 | 110.3 | ||||
| 1751 | S | 27.7 | Very low | 24.2 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 169.1 | 170.8 | 148.1 | 45.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1752 | N | 24 | Very low | 24.3 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | -159.4 | 157.1 | -58 | -150.5 | 1.1 | 0 | 0 | 0 | 109.4 | |||||
| 1753 | N | 25.6 | Very low | 24.1 | Very low | 110 Ų | 110 | 147 Ų | 147 | 59% | 0.588 | 81% | 0.808 | S | S | * | * | trans | 65.8 | 118.4 | 153.9 | -75.9 | -21.1 | 0 | 0 | 0 | 124.3 | ||||
| 1754 | Q | 25.3 | Very low | 24.2 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | 66.1 | 108.7 | 118.9 | -59.6 | 175.9 | 28.7 | 0 | 0 | 121.4 | |||||
| 1755 | G | 24.2 | Very low | 24.2 | Very low | 75 Ų | 75 | 146.9 Ų | 146.9 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | 101.2 | 96.9 | 91.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1756 | L | 26.9 | Very low | 23.9 | Very low | 182 Ų | 182 | 149.4 Ų | 149.4 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | trans | -135.3 | 129.9 | 143.4 | -88.9 | 176.7 | 0 | 0 | 0 | 109.8 | ||||
| 1757 | N | 23.5 | Very low | 24.1 | Very low | 145 Ų | 145 | 147 Ų | 147 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | -91.3 | 157.3 | 179.2 | -85.5 | -41.6 | 0 | 0 | 0 | 111.5 | ||||
| 1758 | N | 24 | Very low | 23.8 | Very low | 148 Ų | 148 | 149.1 Ų | 149.1 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 60.7 | 102.6 | 156 | -58.3 | -24 | 0 | 0 | 0 | 117.6 | ||||
| 1759 | L | 27.2 | Very low | 23.8 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | -146.5 | 152.4 | 114 | -106.9 | 164.4 | 0 | 0 | 0 | 110.4 | |||||
| 1760 | S | 25.3 | Very low | 23.6 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -71.1 | 125.8 | -160.2 | 48.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1761 | R | 21.9 | Very low | 23.5 | Very low | 243 Ų | 243 | 151 Ų | 151 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | 55.7 | 76.2 | 126.2 | -163.9 | 175.6 | 178.1 | 158.3 | -1.2 | 117.2 | |||||
| 1762 | G | 22.4 | Very low | 23.3 | Very low | 75 Ų | 75 | 150.6 Ų | 150.6 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | 69.1 | 102.8 | 122.9 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 1763 | E | 21.8 | Very low | 23.2 | Very low | 202 Ų | 202 | 152.4 Ų | 152.4 | 94% | 0.944 | 80% | 0.802 | S | S | * | * | trans | -111.8 | 168.4 | 147.4 | -77.5 | -164.9 | 148.8 | 0 | 0 | 110.9 | ||||
| 1764 | S | 22.5 | Very low | 23 | Very low | 112 Ų | 112 | 152.2 Ų | 152.2 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -84.9 | 143.6 | -144.9 | 51.9 | 0 | 0 | 0 | 0 | 116.7 | I1766 | S1764-I1766 PolarHBondContact O-N 3.16Š| ||
| 1765 | V | 23.3 | Very low | 22.9 | Very low | 122 Ų | 122 | 152.2 Ų | 152.2 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | trans | -42.2 | 129.1 | 153.8 | 169.1 | 0 | 0 | 0 | 0 | 111.9 | T1767 | V1765-T1767 WeakPolarHBondContact CG1-OG1 3.3Š| ||
| 1766 | I | 19.4 | Very low | 22.8 | Very low | 164 Ų | 164 | 156.2 Ų | 156.2 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | -70.5 | 116.2 | 157.1 | -62.8 | 164 | 0 | 0 | 0 | 107.6 | S1764 | S1764-I1766 PolarHBondContact O-N 3.16Š| ||
| 1767 | T | 24.3 | Very low | 22.6 | Very low | 118 Ų | 118 | 155 Ų | 155 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | trans | -166.7 | 155.5 | 144.3 | 6.7 | 0 | 0 | 0 | 0 | 113.4 | V1765 | V1765-T1767 WeakPolarHBondContact CG1-OG1 3.3Š| ||
| 1768 | E | 19.6 | Very low | 22.6 | Very low | 162 Ų | 162 | 156.3 Ų | 156.3 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | -67.9 | 172.8 | -165.1 | -56.7 | 167.8 | 135.6 | 0 | 0 | 117 | ||||
| 1769 | N | 22 | Very low | 22.7 | Very low | 138 Ų | 138 | 156.2 Ų | 156.2 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | 77.8 | 114.2 | 168.3 | -51.9 | -64.7 | 0 | 0 | 0 | 116.3 | ||||
| 1770 | Y | 21.2 | Very low | 22.5 | Very low | 239 Ų | 239 | 153.9 Ų | 153.9 | 94% | 0.937 | 78% | 0.78 | S | S | * | * | trans | -142.9 | 149.7 | 136.6 | -101 | -68.3 | 0 | 0 | 0 | 115 | ||||
| 1771 | R | 21.6 | Very low | 22.4 | Very low | 229 Ų | 229 | 161.3 Ų | 161.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -81.4 | 174.3 | -177.8 | -173.4 | 174.5 | -178.9 | 162.9 | -1.5 | 111.2 | ||||
| 1772 | T | 22.9 | Very low | 22.3 | Very low | 112 Ų | 112 | 158.8 Ų | 158.8 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | -58.7 | 155.7 | -178.6 | 47.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1773 | E | 22 | Very low | 22.3 | Very low | 175 Ų | 175 | 158.9 Ų | 158.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 90.9 | 103.5 | 152.7 | -74.3 | 167.4 | -160.7 | 0 | 0 | 122.6 | ||||
| 1774 | S | 21.7 | Very low | 22.3 | Very low | 106 Ų | 106 | 158.1 Ų | 158.1 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 90.8 | 154.2 | 130.5 | 81.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1775 | F | 22.6 | Very low | 22.2 | Very low | 173 Ų | 173 | 160.6 Ų | 160.6 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 85.8 | 99.8 | 165.6 | -86.5 | -94.2 | 0 | 0 | 0 | 123.4 | ||||
| 1776 | Q | 22.5 | Very low | 22.1 | Very low | 159 Ų | 159 | 159.4 Ų | 159.4 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | 53.6 | 107.1 | 129.7 | -69.3 | -176.9 | -27.1 | 0 | 0 | 123.8 | |||||
| 1777 | E | 22.7 | Very low | 22.2 | Very low | 157 Ų | 157 | 162.8 Ų | 162.8 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | 66.3 | 137.4 | 112.1 | -138 | -172.3 | -127.3 | 0 | 0 | 122.8 | |||||
| 1778 | K | 24.9 | Very low | 22 | Very low | 173 Ų | 173 | 162.7 Ų | 162.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | 83.3 | 138.6 | 170.8 | -59.2 | 167.9 | -174.2 | 158.7 | 0 | 115.4 | ||||
| 1779 | L | 24.6 | Very low | 22 | Very low | 145 Ų | 145 | 163.7 Ų | 163.7 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | cis | -147.7 | 153.3 | 12.7 | -153.9 | 94 | 0 | 0 | 0 | 113 | ||||
| 1780 | L | 22.7 | Very low | 23 | Very low | 124 Ų | 124 | 162 Ų | 162 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | trans | -10.4 | 134.9 | 166.8 | -84.7 | 67.3 | 0 | 0 | 0 | 119.9 | ||||
| 1781 | W | 23.7 | Very low | 23.3 | Very low | 259 Ų | 259 | 158.9 Ų | 158.9 | 98% | 0.981 | 78% | 0.784 | S | S | * | * | -132 | 126 | 121.6 | -90.2 | 81.1 | 0 | 0 | 0 | 110.8 | |||||
| 1782 | K | 19.5 | Very low | 23.4 | Very low | 191 Ų | 191 | 154.9 Ų | 154.9 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -100.6 | 129.7 | 163.7 | -80.1 | 178 | 172 | 177.7 | 0 | 107.2 | ||||
| 1783 | G | 23.7 | Very low | 23.6 | Very low | 77 Ų | 77 | 158.1 Ų | 158.1 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -171.8 | 122.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1784 | Q | 21.6 | Very low | 23.7 | Very low | 186 Ų | 186 | 155.8 Ų | 155.8 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -70.7 | 170 | -168.6 | -63.6 | 167.4 | -61.6 | 0 | 0 | 115.3 | ||||
| 1785 | M | 19 | Very low | 24 | Very low | 163 Ų | 163 | 157.8 Ų | 157.8 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | trans | 94.3 | 94.8 | 148.3 | -87.1 | 150.6 | 62.6 | 0 | 0 | 121.6 | ||||
| 1786 | S | 21.5 | Very low | 24.3 | Very low | 97 Ų | 97 | 153.3 Ų | 153.3 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | 58.5 | 109.3 | 115.9 | 65.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1787 | R | 21.9 | Very low | 25 | Very low | 235 Ų | 235 | 150.3 Ų | 150.3 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | -174.9 | 132.2 | 126.8 | -102.5 | 167.8 | 166.2 | 171.1 | -6.3 | 108 | |||||
| 1788 | C | 19.9 | Very low | 25.8 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | 48.6 | 126.8 | 95.5 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1789 | E | 20.6 | Very low | 26.7 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | cis | -155.6 | -149.3 | 26.7 | -147 | -176.6 | -141 | 0 | 0 | 112.8 | ||||
| 1790 | P | 43.3 | Very low | 27.5 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | -102.5 | 151.6 | -131.4 | 40.1 | -28.1 | 0 | 0 | 0 | 116.9 | ||||
| 1791 | Q | 27.3 | Very low | 28.6 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -141.2 | 123.3 | 165.9 | -87 | -74.3 | -47.3 | 0 | 0 | 110.5 | K1793 | Q1791-K1793 PolarHBondContact O-N 3.5Š| ||
| 1792 | V | 23.3 | Very low | 30.1 | Very low | 145 Ų | 145 | 136 Ų | 136 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | trans | -73.9 | 111.9 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1793 | K | 26.7 | Very low | 31.7 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 79% | 0.787 | 71% | 0.712 | S | S | * | * | trans | -123.4 | 131.8 | 170.9 | -83.5 | -176.4 | 174.9 | 175.5 | 0 | 111.5 | Q1791 | Q1791-K1793 PolarHBondContact O-N 3.5Š| ||
| 1794 | C | 24.6 | Very low | 33 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 85% | 0.845 | 69% | 0.69 | S | S | * | * | trans | -61.1 | 139.6 | -175.1 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | S1796 | C1794-S1796 PolarHBondContact O-N 3.4Š| ||
| 1795 | N | 27.4 | Very low | 35.2 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 80% | 0.797 | 66% | 0.658 | S | S | * | * | trans | -63.4 | 103.6 | -174.4 | -78.1 | -37.6 | 0 | 0 | 0 | 113.4 | N1797 | N1795-N1797 VanDerWaalsContact C-N 3.28Å; N1795-N1797 PolarHBondContact O-N 3.14Å | ||
| 1796 | S | 29.2 | Very low | 36.9 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | trans | -85.6 | 9.9 | 172.5 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | C1794 L1798 L1799 | C1794-S1796 PolarHBondContact O-N 3.4Å; S1796-L1798 PolarHBondContact O-N 2.87Å; S1796-L1799 PolarHBondContact O-N 2.9Å | ||
| 1797 | N | 36.1 | Very low | 38.4 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 52% | 0.519 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -72 | -19.3 | -166.9 | -70.8 | -16.6 | 0 | 0 | 0 | 115.4 | N1795 Y1800 L1801 | N1795-N1797 VanDerWaalsContact C-N 3.28Å; N1795-N1797 PolarHBondContact O-N 3.14Å; N1797-Y1800 PolarHBondContact O-N 2.97Å; N1797-L1801 WeakPolarHBondContact O-CG 3.29Å; N1797-L1801 PolarHBondContact O-N 3.31Å |
| 1798 | L | 40 | Very low | 40.5 | Very low | 141 Ų | 141 | 117 Ų | 117 | 74% | 0.738 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.5 | -37.7 | 177.2 | -111.5 | 165.5 | 0 | 0 | 0 | 112.6 | S1796 Y1800 L1801 S1802 | S1796-L1798 PolarHBondContact O-N 2.87Å; L1798-Y1800 VanDerWaalsContact C-N 3.35Å; L1798-L1801 PolarHBondContact O-N 3.14Å; L1798-S1802 PolarHBondContact O-N 3.02Å; L1798-S1802 VanDerWaalsContact O-N 3.15Å |
| 1799 | L | 43.7 | Very low | 41.9 | Very low | 126 Ų | 126 | 114.6 Ų | 114.6 | 66% | 0.66 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.6 | -33.9 | 175.2 | -98.4 | 161 | 0 | 0 | 0 | 112.2 | S1796 R1803 | S1796-L1799 PolarHBondContact O-N 2.9Å; L1799-R1803 PolarHBondContact O-N 3.46Å |
| 1800 | Y | 42.1 | Very low | 43.5 | Very low | 171 Ų | 171 | 109.9 Ų | 109.9 | 67% | 0.671 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.2 | -39.4 | 175.6 | -106.4 | -82 | 0 | 0 | 0 | 112.6 | N1797 L1798 R1803 A1804 | N1797-Y1800 PolarHBondContact O-N 2.97Å; L1798-Y1800 VanDerWaalsContact C-N 3.35Å; Y1800-R1803 PolarHBondContact O-N 3.04Å; Y1800-A1804 WeakPolarHBondContact O-CB 3.5Å; Y1800-A1804 PolarHBondContact O-N 3.4Å |
| 1801 | L | 45.8 | Very low | 44 | Very low | 64 Ų | 64 | 108.8 Ų | 108.8 | 34% | 0.335 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.8 | -37.4 | 175.2 | -72.2 | 169.7 | 0 | 0 | 0 | 112.4 | N1797 L1798 A1804 S1805 L1812 L1815 | N1797-L1801 WeakPolarHBondContact O-CG 3.29Å; N1797-L1801 PolarHBondContact O-N 3.31Å; L1798-L1801 PolarHBondContact O-N 3.14Å; L1801-A1804 PolarHBondContact O-N 3.28Å; L1801-S1805 PolarHBondContact O-N 2.84Å; L1801-L1812 HydrophobicContact CB-CD1 4.2Å; L1801-L1812 WeakPolarHBondContact O-CD1 3.33Å; L1801-L1815 HydrophobicContact CD2-CB 4.46Å |
| 1802 | S | 55.4 | Low | 45 | Very low | 55 Ų | 55 | 103.7 Ų | 103.7 | 39% | 0.385 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61 | -48.1 | 173.2 | -162.5 | 0 | 0 | 0 | 0 | 111.6 | L1798 A1804 S1805 E1806 | L1798-S1802 PolarHBondContact O-N 3.02Å; L1798-S1802 VanDerWaalsContact O-N 3.15Å; S1802-A1804 VanDerWaalsContact C-N 3.35Å; S1802-A1804 PolarHBondContact O-N 3.12Å; S1802-S1805 PolarHBondContact O-N 2.92Å; S1802-E1806 PolarHBondContact O-N 3.27Å; S1802-E1806 VanDerWaalsContact O-N 3.07Å |
| 1803 | R | 52 | Low | 46.7 | Very low | 173 Ų | 173 | 98.7 Ų | 98.7 | 65% | 0.653 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.9 | -34.3 | 175.9 | -84.5 | -177.6 | 165.4 | 148.6 | -2.4 | 113.6 | L1799 Y1800 S1805 E1806 G1807 | L1799-R1803 PolarHBondContact O-N 3.46Å; Y1800-R1803 PolarHBondContact O-N 3.04Å; R1803-S1805 VanDerWaalsContact C-N 3.34Å; R1803-E1806 PolarHBondContact O-N 3.41Å; R1803-G1807 PolarHBondContact O-N 3.27Å |
| 1804 | A | 52.1 | Low | 47.6 | Very low | 40 Ų | 40 | 96.4 Ų | 96.4 | 33% | 0.331 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.4 | -38.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1800 L1801 S1802 G1807 T1808 | Y1800-A1804 WeakPolarHBondContact O-CB 3.5Å; Y1800-A1804 PolarHBondContact O-N 3.4Å; L1801-A1804 PolarHBondContact O-N 3.28Å; S1802-A1804 VanDerWaalsContact C-N 3.35Å; S1802-A1804 PolarHBondContact O-N 3.12Å; A1804-G1807 PolarHBondContact O-N 2.98Å; A1804-T1808 WeakPolarHBondContact O-CB 3.28Å; A1804-T1808 WeakPolarHBondContact O-CG2 3.3Å; A1804-T1808 PolarHBondContact O-N 2.65Å; A1804-T1808 VanDerWaalsContact O-N 3.16Å; A1804-T1808 PolarHBondContact O-OG1 3.32Å |
| 1805 | S | 68 | Low | 48.5 | Very low | 26 Ų | 26 | 93.4 Ų | 93.4 | 18% | 0.182 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 174.1 | -167.2 | 0 | 0 | 0 | 0 | 111.7 | L1801 S1802 R1803 G1807 T1808 G1809 I1810 L1812 | L1801-S1805 PolarHBondContact O-N 2.84Å; S1802-S1805 PolarHBondContact O-N 2.92Å; R1803-S1805 VanDerWaalsContact C-N 3.34Å; S1805-G1807 VanDerWaalsContact C-N 3.32Å; S1805-G1807 PolarHBondContact O-N 3.03Å; S1805-T1808 PolarHBondContact O-N 3.21Å; S1805-G1809 PolarHBondContact O-N 2.86Å; S1805-G1809 VanDerWaalsContact O-N 3.13Å; S1805-I1810 PolarHBondContact OG-O 3.43Å; S1805-L1812 PolarHBondContact OG-N 3.41Å |
| 1806 | E | 53.8 | Low | 49.5 | Very low | 152 Ų | 152 | 91.6 Ų | 91.6 | 71% | 0.71 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -35 | 175.7 | -71.5 | 178 | 151.2 | 0 | 0 | 113.4 | S1802 R1803 | S1802-E1806 PolarHBondContact O-N 3.27Å; S1802-E1806 VanDerWaalsContact O-N 3.07Å; R1803-E1806 PolarHBondContact O-N 3.41Å |
| 1807 | G | 52.3 | Low | 49.7 | Very low | 69 Ų | 69 | 95.5 Ų | 95.5 | 71% | 0.711 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -85.2 | -20.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1803 A1804 S1805 | R1803-G1807 PolarHBondContact O-N 3.27Å; A1804-G1807 PolarHBondContact O-N 2.98Å; S1805-G1807 VanDerWaalsContact C-N 3.32Å; S1805-G1807 PolarHBondContact O-N 3.03Å |
| 1808 | T | 67.4 | Low | 49.6 | Very low | 89 Ų | 89 | 94.7 Ų | 94.7 | 55% | 0.546 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -115.3 | -12.7 | -172.8 | 60.9 | 0 | 0 | 0 | 0 | 114.6 | A1804 S1805 I1810 | A1804-T1808 WeakPolarHBondContact O-CB 3.28Å; A1804-T1808 WeakPolarHBondContact O-CG2 3.3Å; A1804-T1808 PolarHBondContact O-N 2.65Å; A1804-T1808 VanDerWaalsContact O-N 3.16Å; A1804-T1808 PolarHBondContact O-OG1 3.32Å; S1805-T1808 PolarHBondContact O-N 3.21Å; T1808-I1810 PolarHBondContact O-N 3.08Å |
| 1809 | G | 48.9 | Very low | 49.1 | Very low | 68 Ų | 68 | 95.5 Ų | 95.5 | 70% | 0.701 | 54% | 0.54 | S | S | * | . | trans | 71.6 | 2.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1805 | S1805-G1809 PolarHBondContact O-N 2.86Å; S1805-G1809 VanDerWaalsContact O-N 3.13Å | ||
| 1810 | I | 54.4 | Low | 48.3 | Very low | 83 Ų | 83 | 100.2 Ų | 100.2 | 43% | 0.426 | 55% | 0.549 | S | S | . | . | trans | -79.8 | 122.9 | 175.5 | -58.5 | 176 | 0 | 0 | 0 | 108.4 | S1805 T1808 H1814 | S1805-I1810 PolarHBondContact OG-O 3.43Å; T1808-I1810 PolarHBondContact O-N 3.08Å; I1810-H1814 HydrophobicContact CG2-CB 4.04Å | ||
| 1811 | P | 52.9 | Low | 47.3 | Very low | 80 Ų | 80 | 97.4 Ų | 97.4 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | trans | -67.2 | 137.1 | -178.1 | 26.4 | -33.7 | 0 | 0 | 0 | 111.5 | G1813 H1814 | P1811-G1813 PolarHBondContact O-N 3.48Å; P1811-H1814 PolarHBondContact O-N 2.84Å | ||
| 1812 | L | 49.3 | Very low | 46.3 | Very low | 66 Ų | 66 | 101.3 Ų | 101.3 | 35% | 0.346 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -49.7 | -31.1 | -171 | -161.7 | 73.2 | 0 | 0 | 0 | 114.9 | L1801 S1805 H1814 L1815 I1816 | L1801-L1812 HydrophobicContact CB-CD1 4.2Å; L1801-L1812 WeakPolarHBondContact O-CD1 3.33Å; S1805-L1812 PolarHBondContact OG-N 3.41Å; L1812-H1814 PolarHBondContact O-N 3.11Å; L1812-L1815 PolarHBondContact O-N 3.24Å; L1812-I1816 HydrophobicContact CG-CD1 4.23Å; L1812-I1816 WeakPolarHBondContact O-CG1 3.38Å; L1812-I1816 PolarHBondContact O-N 2.57Å |
| 1813 | G | 58 | Low | 44.7 | Very low | 40 Ų | 40 | 107.6 Ų | 107.6 | 41% | 0.412 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.6 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1811 L1815 I1816 E1817 | P1811-G1813 PolarHBondContact O-N 3.48Å; G1813-L1815 VanDerWaalsContact C-N 3.3Å; G1813-L1815 PolarHBondContact O-N 3.44Å; G1813-I1816 PolarHBondContact O-N 3.28Å; G1813-I1816 VanDerWaalsContact O-N 3.09Å; G1813-E1817 PolarHBondContact O-N 3.28Å; G1813-E1817 VanDerWaalsContact O-N 3.17Å |
| 1814 | H | 45.6 | Very low | 43.3 | Very low | 133 Ų | 133 | 107.1 Ų | 107.1 | 62% | 0.616 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.6 | -26 | 178.4 | -80.7 | 55.7 | 0 | 0 | 0 | 112.7 | I1810 P1811 L1812 I1816 | I1810-H1814 HydrophobicContact CG2-CB 4.04Å; P1811-H1814 PolarHBondContact O-N 2.84Å; L1812-H1814 PolarHBondContact O-N 3.11Å; H1814-I1816 VanDerWaalsContact C-N 3.28Å |
| 1815 | L | 43.2 | Very low | 41.9 | Very low | 61 Ų | 61 | 108.6 Ų | 108.6 | 32% | 0.319 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.9 | -19.5 | 172 | -79.1 | 162.7 | 0 | 0 | 0 | 112.8 | L1801 L1812 G1813 | L1801-L1815 HydrophobicContact CD2-CB 4.46Å; L1812-L1815 PolarHBondContact O-N 3.24Å; G1813-L1815 VanDerWaalsContact C-N 3.3Å; G1813-L1815 PolarHBondContact O-N 3.44Å |
| 1816 | I | 48.3 | Very low | 39.6 | Very low | 112 Ų | 112 | 116.3 Ų | 116.3 | 57% | 0.574 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -91.1 | -35.1 | -178.6 | -66.6 | 165.3 | 0 | 0 | 0 | 111.3 | L1812 G1813 H1814 A1818 | L1812-I1816 HydrophobicContact CG-CD1 4.23Å; L1812-I1816 WeakPolarHBondContact O-CG1 3.38Å; L1812-I1816 PolarHBondContact O-N 2.57Å; G1813-I1816 PolarHBondContact O-N 3.28Å; G1813-I1816 VanDerWaalsContact O-N 3.09Å; H1814-I1816 VanDerWaalsContact C-N 3.28Å; I1816-A1818 PolarHBondContact O-N 3.5Å |
| 1817 | E | 35.2 | Very low | 38.1 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -80.3 | -10.1 | -175.4 | -70.1 | -172.4 | 141.5 | 0 | 0 | 115.3 | G1813 N1819 | G1813-E1817 PolarHBondContact O-N 3.28Å; G1813-E1817 VanDerWaalsContact O-N 3.17Å; E1817-N1819 VanDerWaalsContact C-N 3.26Å; E1817-N1819 PolarHBondContact O-N 3.12Å |
| 1818 | A | 32.4 | Very low | 36.6 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 67% | 0.669 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -6.7 | -174 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1816 R1820 | I1816-A1818 PolarHBondContact O-N 3.5Å; A1818-R1820 PolarHBondContact O-N 3.46Å |
| 1819 | N | 30.8 | Very low | 34.6 | Very low | 157 Ų | 157 | 124.4 Ų | 124.4 | 84% | 0.84 | 67% | 0.671 | S | S | * | * | trans | -98.1 | 68.3 | -177.1 | -83.1 | -27.1 | 0 | 0 | 0 | 113.4 | E1817 | E1817-N1819 VanDerWaalsContact C-N 3.26Å; E1817-N1819 PolarHBondContact O-N 3.12Å | ||
| 1820 | R | 25.5 | Very low | 33.5 | Very low | 225 Ų | 225 | 129.9 Ų | 129.9 | 85% | 0.849 | 68% | 0.678 | S | S | * | * | trans | -99.5 | 107.6 | 159.3 | -83.6 | -166.7 | 177.9 | -164.7 | 1.5 | 111.4 | A1818 | A1818-R1820 PolarHBondContact O-N 3.46Š| ||
| 1821 | S | 23 | Very low | 32.1 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | 36 | 99.6 | 144.2 | 58.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1822 | V | 23.7 | Very low | 31 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 89% | 0.885 | 72% | 0.715 | S | S | * | * | trans | -112.8 | 142.4 | 156.6 | 178.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1823 | H | 22.6 | Very low | 29.8 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 87% | 0.866 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142 | -159.8 | -111.6 | -86.9 | 0 | 0 | 0 | 115.6 | G1825 | H1823-G1825 PolarHBondContact O-N 3.42Š|
| 1824 | I | 21.1 | Very low | 28.1 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 117.7 | 167.3 | -65.6 | 163.3 | 0 | 0 | 0 | 109.3 | ||
| 1825 | G | 22.7 | Very low | 27.7 | Very low | 71 Ų | 71 | 146 Ų | 146 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 118.8 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | H1823 | H1823-G1825 PolarHBondContact O-N 3.42Š|
| 1826 | R | 20.3 | Very low | 27.2 | Very low | 189 Ų | 189 | 155.8 Ų | 155.8 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55 | 142.6 | 173.2 | -77.5 | -179.4 | 172 | -164.3 | 1.3 | 111.9 | E1828 | R1826-E1828 IonicContact CZ-OE1 2.75Å; R1826-E1828 VanDerWaalsContact CZ-OE1 3.26Å; R1826-E1828 IonicContact CZ-OE2 2.77Å; R1826-E1828 IonicContact NE-OE1 3.92Å; R1826-E1828 VanDerWaalsContact NH1-CD 3.34Å; R1826-E1828 IonicContact NH1-OE1 3.19Å; R1826-E1828 PolarHBondContact NH1-OE1 3.46Å; R1826-E1828 IonicContact NH1-OE2 3.21Å; R1826-E1828 PolarHBondContact NH1-OE2 3.39Å; R1826-E1828 IonicContact NH2-OE1 3.41Å |
| 1827 | R | 22.9 | Very low | 26.1 | Very low | 246 Ų | 246 | 158 Ų | 158 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -132.7 | 114.9 | 131.8 | -81.4 | -166 | 172.4 | 172.3 | -2.2 | 110.2 | ||||
| 1828 | E | 20.4 | Very low | 25.7 | Very low | 128 Ų | 128 | 157.9 Ų | 157.9 | 60% | 0.598 | 81% | 0.814 | S | S | * | * | trans | -78.1 | 175.4 | 157.2 | -68.7 | 149.7 | 154.4 | 0 | 0 | 108.4 | R1826 | R1826-E1828 IonicContact CZ-OE1 2.75Å; R1826-E1828 VanDerWaalsContact CZ-OE1 3.26Å; R1826-E1828 IonicContact CZ-OE2 2.77Å; R1826-E1828 IonicContact NE-OE1 3.92Å; R1826-E1828 VanDerWaalsContact NH1-CD 3.34Å; R1826-E1828 IonicContact NH1-OE1 3.19Å; R1826-E1828 PolarHBondContact NH1-OE1 3.46Å; R1826-E1828 IonicContact NH1-OE2 3.21Å; R1826-E1828 PolarHBondContact NH1-OE2 3.39Å; R1826-E1828 IonicContact NH2-OE1 3.41Å | ||
| 1829 | S | 25.8 | Very low | 25.3 | Very low | 105 Ų | 105 | 162.2 Ų | 162.2 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | trans | 73.1 | 131.3 | -164.1 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1830 | E | 26 | Very low | 25 | Very low | 183 Ų | 183 | 162.5 Ų | 162.5 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | cis | -149.8 | 152.4 | 4.9 | -129.7 | 162.4 | -140 | 0 | 0 | 112.5 | ||||
| 1831 | T | 24.7 | Very low | 24.9 | Very low | 129 Ų | 129 | 158.6 Ų | 158.6 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -63.9 | 137.2 | -179.9 | 44 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1832 | K | 28.8 | Very low | 25.1 | Very low | 211 Ų | 211 | 161.6 Ų | 161.6 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | trans | -156.1 | 147.2 | 137.4 | -109.9 | 162.8 | -171.6 | 179.9 | 0 | 111.4 | ||||
| 1833 | L | 25.8 | Very low | 25.2 | Very low | 148 Ų | 148 | 162.7 Ų | 162.7 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | trans | -95.6 | 151.3 | -169.1 | -68.5 | 114 | 0 | 0 | 0 | 112.5 | ||||
| 1834 | L | 21.5 | Very low | 25.4 | Very low | 153 Ų | 153 | 160.8 Ų | 160.8 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | trans | 56 | 164.2 | 139.6 | -63.9 | 165.5 | 0 | 0 | 0 | 119.4 | ||||
| 1835 | P | 36.5 | Very low | 25.7 | Very low | 101 Ų | 101 | 160.8 Ų | 160.8 | 66% | 0.656 | 81% | 0.811 | S | S | * | * | -134.4 | 147.8 | -51.4 | 36.5 | -21.8 | 0 | 0 | 0 | 113.4 | |||||
| 1836 | H | 33.3 | Very low | 26 | Very low | 265 Ų | 265 | 168.9 Ų | 168.9 | 100% | 1.227 | 82% | 0.818 | S | S | * | * | trans | -171.3 | 0 | 134.8 | -113 | -60.8 | 0 | 0 | 0 | 111.7 |
Retrieved 1,836 of 1,836 residues in 1871.3 ms
(Link to these results)