| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.2 | Very low | 36.3 | Very low | 247 Ų | 247 | 138.9 Ų | 138.9 | 100% | 1.217 | 88% | 0.879 | S | S | * | * | 0 | 85.8 | 0 | -78.7 | -87.7 | 142 | 0 | 0 | 108.7 | |||||
| 2 | S | 38.4 | Very low | 36 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 87% | 0.867 | 87% | 0.872 | S | S | * | * | trans | -159.8 | 115.9 | 155.2 | -147.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3 | T | 37.8 | Very low | 35.9 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 88% | 0.883 | 87% | 0.873 | S | S | * | * | trans | -78.2 | 122.9 | -176.3 | 43.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | A | 41.3 | Very low | 35.6 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 86% | 0.86 | 87% | 0.869 | S | S | * | * | trans | -107.1 | 124.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 5 | G | 36.1 | Very low | 35.5 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 81% | 0.814 | 86% | 0.863 | S | S | * | * | trans | -77.6 | 157 | -161.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 6 | S | 31.8 | Very low | 35.4 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 92% | 0.916 | 86% | 0.864 | S | S | * | * | trans | -67.7 | 135.7 | 160.9 | -68.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 7 | A | 35.1 | Very low | 35 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 74% | 0.744 | 86% | 0.863 | S | S | * | * | trans | -171.5 | 120.1 | 146.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 8 | L | 36.3 | Very low | 35 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 92% | 0.916 | 86% | 0.862 | S | S | * | * | 153.4 | 140.8 | 122.5 | -77.1 | 171.2 | 0 | 0 | 0 | 112.3 | |||||
| 9 | K | 34.3 | Very low | 34.6 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 85% | 0.848 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 155.7 | -156.8 | -69.6 | 168.1 | 171.6 | 175.4 | 0 | 114.4 | ||
| 10 | P | 35.7 | Very low | 34.5 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 81% | 0.812 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -81 | 134.4 | 170.1 | 32.1 | -30.8 | 0 | 0 | 0 | 111.9 | ||
| 11 | S | 34 | Very low | 34.4 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 127.4 | 175.4 | 39.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 12 | V | 33.5 | Very low | 34.1 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 123.5 | 172.6 | 177 | 0 | 0 | 0 | 0 | 108.4 | ||
| 13 | L | 34.5 | Very low | 33.8 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 89% | 0.885 | 83% | 0.833 | S | S | * | * | trans | -120 | 108.4 | 163.2 | -89.1 | 166.4 | 0 | 0 | 0 | 108.6 | ||||
| 14 | S | 30.8 | Very low | 33.3 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -78.2 | 134 | 166.5 | -77.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 15 | G | 34.1 | Very low | 32.9 | Very low | 75 Ų | 75 | 142.1 Ų | 142.1 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | -150.4 | 80.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 16 | M | 34.4 | Very low | 32.7 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | 26.5 | 122.2 | 147.9 | -56.3 | -117.3 | 68.6 | 0 | 0 | 121.3 | ||||
| 17 | L | 28.5 | Very low | 32.4 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -61.3 | 155.5 | 156.3 | -70.3 | 154.1 | 0 | 0 | 0 | 112.9 | ||||
| 18 | P | 35.1 | Very low | 32.3 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | trans | -126.6 | 135 | 132.1 | 28.8 | -13.7 | 0 | 0 | 0 | 112 | ||||
| 19 | S | 27.2 | Very low | 31.8 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -94.7 | 143.6 | 175.8 | -155.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 20 | S | 32.8 | Very low | 31.6 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -164.6 | 136.3 | 160.2 | -80.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 21 | S | 32.3 | Very low | 31.5 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | 62.5 | 98.8 | 161.9 | 62.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 22 | N | 31.7 | Very low | 31.2 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 75% | 0.749 | 83% | 0.826 | S | S | * | * | 47.2 | 91.5 | 73.2 | -80.2 | -8.3 | 0 | 0 | 0 | 115.7 | |||||
| 23 | F | 32.4 | Very low | 31.1 | Very low | 210 Ų | 210 | 146 Ų | 146 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -128.9 | 96.8 | 144.1 | -106.8 | -87.2 | 0 | 0 | 0 | 108.3 | ||||
| 24 | Y | 28 | Very low | 30.8 | Very low | 204 Ų | 204 | 146.3 Ų | 146.3 | 80% | 0.8 | 82% | 0.82 | S | S | * | * | trans | -91 | 125.4 | 166.5 | -108.5 | -100 | 0 | 0 | 0 | 107.1 | ||||
| 25 | Y | 32.6 | Very low | 30.9 | Very low | 217 Ų | 217 | 152.1 Ų | 152.1 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -145.3 | 140.9 | 150.1 | -114.1 | -82.9 | 0 | 0 | 0 | 110 | ||||
| 26 | Q | 31.2 | Very low | 30.8 | Very low | 164 Ų | 164 | 155.5 Ų | 155.5 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | trans | -72.8 | 148.7 | -155.9 | -81.7 | 155.5 | -51.4 | 0 | 0 | 115.7 | ||||
| 27 | N | 27 | Very low | 30.6 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -58.3 | 140.6 | 155.8 | -66.4 | -34.4 | 0 | 0 | 0 | 111.2 | ||||
| 28 | S | 31.8 | Very low | 30.9 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -143 | 94.2 | 160.8 | -62.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 29 | D | 26.6 | Very low | 30.9 | Very low | 162 Ų | 162 | 157.7 Ų | 157.7 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -72.4 | 120.4 | 163.5 | -71.2 | -47.9 | 0 | 0 | 0 | 108.7 | ||||
| 30 | A | 29.8 | Very low | 31.2 | Very low | 100 Ų | 100 | 158.6 Ų | 158.6 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -171.1 | 139.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 31 | A | 32.6 | Very low | 31 | Very low | 98 Ų | 98 | 158.9 Ų | 158.9 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | 86.4 | 76.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 32 | E | 27.4 | Very low | 31.1 | Very low | 192 Ų | 192 | 157.2 Ų | 157.2 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | -65.8 | 114.4 | 137.2 | -73 | -179.2 | 144.2 | 0 | 0 | 108.8 | ||||
| 33 | D | 33.2 | Very low | 31 | Very low | 139 Ų | 139 | 155.8 Ų | 155.8 | 74% | 0.743 | 83% | 0.827 | S | S | * | * | trans | -162.7 | 110.1 | 152.7 | -104.1 | -28.2 | 0 | 0 | 0 | 112.1 | ||||
| 34 | Q | 27.2 | Very low | 31.1 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | 34 | 103 | 141.4 | -58.6 | 176.3 | 11.8 | 0 | 0 | 118.7 | ||||
| 35 | R | 33.5 | Very low | 31.3 | Very low | 239 Ų | 239 | 157.2 Ų | 157.2 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | trans | -139.1 | 107.6 | 147.8 | -86.7 | -169.8 | -111.9 | -151.9 | -2.2 | 112.9 | ||||
| 36 | N | 31.8 | Very low | 31.1 | Very low | 145 Ų | 145 | 158.4 Ų | 158.4 | 78% | 0.775 | 84% | 0.835 | S | S | * | * | trans | 52.7 | 106.8 | 135.6 | -65.8 | -10.9 | 0 | 0 | 0 | 120.3 | E38 | N36-E38 PolarHBondContact O-N 3.4Š| ||
| 37 | A | 30.6 | Very low | 31.2 | Very low | 96 Ų | 96 | 161.7 Ų | 161.7 | 79% | 0.793 | 84% | 0.84 | S | S | * | * | trans | -62.4 | 114.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 38 | E | 34.8 | Very low | 31.6 | Very low | 177 Ų | 177 | 163 Ų | 163 | 83% | 0.827 | 85% | 0.847 | S | S | * | * | trans | -96.8 | 101.3 | 160.9 | -74.1 | -174.8 | 171.1 | 0 | 0 | 109 | N36 T40 | N36-E38 PolarHBondContact O-N 3.4Å; E38-T40 PolarHBondContact O-N 2.89Å | ||
| 39 | R | 34.3 | Very low | 31.5 | Very low | 243 Ų | 243 | 165.5 Ų | 165.5 | 92% | 0.917 | 85% | 0.85 | S | S | * | * | trans | -78.4 | 103.6 | 166.7 | -70.3 | -179.7 | -177 | -164.4 | 0.7 | 108.3 | S41 | R39-S41 PolarHBondContact O-N 3.07Š| ||
| 40 | T | 34.6 | Very low | 31.8 | Very low | 136 Ų | 136 | 161.7 Ų | 161.7 | 83% | 0.834 | 85% | 0.849 | S | S | * | * | trans | -83.1 | 101.8 | 166.6 | 51.8 | 0 | 0 | 0 | 0 | 109.8 | E38 | E38-T40 PolarHBondContact O-N 2.89Š| ||
| 41 | S | 28.8 | Very low | 31.9 | Very low | 121 Ų | 121 | 168.6 Ų | 168.6 | 85% | 0.846 | 85% | 0.854 | S | S | * | * | trans | -88.7 | 123.1 | 163.6 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | R39 | R39-S41 PolarHBondContact O-N 3.07Š| ||
| 42 | G | 32.9 | Very low | 31.9 | Very low | 75 Ų | 75 | 172.5 Ų | 172.5 | 77% | 0.773 | 86% | 0.857 | S | S | * | * | trans | -150.9 | 51.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | H44 | G42-H44 PolarHBondContact O-N 2.83Š| ||
| 43 | S | 29.5 | Very low | 32.2 | Very low | 110 Ų | 110 | 173.9 Ų | 173.9 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | trans | -78.7 | 93.5 | 171.6 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 44 | H | 35.1 | Very low | 32.1 | Very low | 186 Ų | 186 | 176 Ų | 176 | 86% | 0.861 | 86% | 0.859 | S | S | * | * | trans | -149.9 | 95.5 | 171.5 | -94.7 | 61.7 | 0 | 0 | 0 | 111.6 | G42 | G42-H44 PolarHBondContact O-N 2.83Š| ||
| 45 | R | 32.3 | Very low | 32.6 | Very low | 258 Ų | 258 | 175.8 Ų | 175.8 | 97% | 0.974 | 86% | 0.858 | S | S | * | * | trans | 165.8 | 94.6 | 130.7 | -96.8 | -176.5 | -178.7 | -164.3 | 1.4 | 110.4 | ||||
| 46 | R | 27.9 | Very low | 32.5 | Very low | 243 Ų | 243 | 169.4 Ų | 169.4 | 92% | 0.917 | 85% | 0.85 | S | S | * | * | trans | -108.7 | 111.4 | 158.1 | -170.7 | -172.6 | -79.2 | -156.9 | -2.1 | 106.3 | ||||
| 47 | R | 32.8 | Very low | 32.5 | Very low | 232 Ų | 232 | 167.3 Ų | 167.3 | 88% | 0.875 | 85% | 0.846 | S | S | * | * | trans | 168.1 | 106.2 | 153.8 | -99.7 | -177.9 | -95.6 | -152.5 | -0.3 | 110.2 | ||||
| 48 | L | 35.5 | Very low | 32.5 | Very low | 181 Ų | 181 | 167.5 Ų | 167.5 | 95% | 0.948 | 84% | 0.841 | S | S | * | * | trans | -155.2 | 105.4 | 139 | -104.3 | 159.5 | 0 | 0 | 0 | 107.3 | ||||
| 49 | L | 29.7 | Very low | 32.5 | Very low | 167 Ų | 167 | 165.5 Ų | 165.5 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -80.3 | 115.5 | 173.9 | -76.7 | 153 | 0 | 0 | 0 | 107.8 | ||||
| 50 | G | 33.9 | Very low | 32.1 | Very low | 82 Ų | 82 | 161.9 Ų | 161.9 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -113.5 | 105 | 168 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 51 | R | 30.6 | Very low | 32.1 | Very low | 246 Ų | 246 | 163.9 Ų | 163.9 | 93% | 0.928 | 84% | 0.835 | S | S | * | * | trans | -93.8 | 122 | -171.8 | -178.5 | -175.7 | -168.3 | -173.8 | 3.5 | 109.4 | ||||
| 52 | M | 34.4 | Very low | 32 | Very low | 179 Ų | 179 | 161.2 Ų | 161.2 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | trans | -137.7 | 97.3 | 167.1 | -121 | 164.3 | 160.4 | 0 | 0 | 112.3 | ||||
| 53 | R | 32.1 | Very low | 32 | Very low | 222 Ų | 222 | 166 Ų | 166 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | trans | 45.5 | 120.1 | 144.4 | -63.6 | -178.1 | -164.5 | -125 | 1 | 120.9 | ||||
| 54 | H | 31.6 | Very low | 32 | Very low | 182 Ų | 182 | 165.6 Ų | 165.6 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -72.5 | 142.8 | 161.2 | -64.2 | -97.4 | 0 | 0 | 0 | 112.7 | ||||
| 55 | H | 38.2 | Very low | 31.5 | Very low | 172 Ų | 172 | 161.2 Ų | 161.2 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | trans | -119.1 | 109.3 | 143.5 | -59.3 | -56.4 | 0 | 0 | 0 | 104 | ||||
| 56 | S | 32.1 | Very low | 31.3 | Very low | 105 Ų | 105 | 159.9 Ų | 159.9 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | 48 | 127.5 | 82.8 | 72.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 57 | S | 30.5 | Very low | 31.4 | Very low | 100 Ų | 100 | 153.4 Ų | 153.4 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | cis | -178.8 | 161.4 | 20.8 | -165.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 58 | C | 31.5 | Very low | 31.1 | Very low | 100 Ų | 100 | 151.5 Ų | 151.5 | 68% | 0.676 | 81% | 0.805 | S | S | * | * | trans | 74 | 135.9 | 152.2 | -68 | 0 | 0 | 0 | 0 | 118 | ||||
| 59 | D | 33.2 | Very low | 30.9 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | cis | -154.6 | 135.4 | -0.2 | -84.5 | -39.4 | 0 | 0 | 0 | 108 | ||||
| 60 | D | 27.4 | Very low | 30.9 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -110.4 | 102 | 172.3 | -160.2 | 9.2 | 0 | 0 | 0 | 105.9 | ||||
| 61 | Q | 33.6 | Very low | 30.7 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -106.6 | 110.1 | 171.3 | -73.3 | -167.3 | 18.1 | 0 | 0 | 108.5 | ||||
| 62 | G | 27.2 | Very low | 30.7 | Very low | 65 Ų | 65 | 148.7 Ų | 148.7 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -70.3 | 147.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 63 | L | 32.8 | Very low | 30.3 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -131.7 | 97.6 | 149.7 | -76 | 176.9 | 0 | 0 | 0 | 109.2 | ||||
| 64 | S | 29 | Very low | 30.3 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 8.4 | 112.2 | 141.8 | -176.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 65 | S | 25.9 | Very low | 30.1 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | 30.5 | 110.5 | 117 | -153.4 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 66 | Y | 27.3 | Very low | 29.8 | Very low | 231 Ų | 231 | 138.9 Ų | 138.9 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -145 | 113.6 | 144.1 | -95.8 | -81.1 | 0 | 0 | 0 | 109.4 | ||||
| 67 | P | 29.1 | Very low | 29.8 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | trans | -110.2 | 112.9 | 171 | 33.3 | -20.4 | 0 | 0 | 0 | 109.9 | ||||
| 68 | F | 28 | Very low | 29.9 | Very low | 193 Ų | 193 | 140.9 Ų | 140.9 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -172.8 | 113.1 | 157.2 | -136.9 | -111.3 | 0 | 0 | 0 | 110.7 | ||||
| 69 | L | 31.5 | Very low | 29.8 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | 171.7 | 124.2 | 116.6 | -88.8 | 171.5 | 0 | 0 | 0 | 109.7 | |||||
| 70 | M | 29.5 | Very low | 29.5 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -82.5 | 154.2 | 174.9 | -78.4 | -133.9 | 173.7 | 0 | 0 | 111.8 | ||||
| 71 | N | 28.7 | Very low | 29.6 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | 47.7 | 109.3 | 141.8 | -68.1 | -21.9 | 0 | 0 | 0 | 119 | ||||
| 72 | L | 30.9 | Very low | 29.1 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -133.2 | 96.3 | 136.5 | -86.1 | 106.6 | 0 | 0 | 0 | 109.4 | ||||
| 73 | D | 25.6 | Very low | 29.3 | Very low | 159 Ų | 159 | 151.4 Ų | 151.4 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -72.3 | 123.9 | 151.5 | -81.8 | -42.5 | 0 | 0 | 0 | 107.9 | ||||
| 74 | A | 33.1 | Very low | 29 | Very low | 95 Ų | 95 | 149.2 Ų | 149.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -148.6 | 121.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 75 | Q | 27.4 | Very low | 28.8 | Very low | 191 Ų | 191 | 149.7 Ų | 149.7 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -65.1 | 142.7 | -178.7 | -55.9 | 173.5 | 10.8 | 0 | 0 | 112 | ||||
| 76 | A | 30.5 | Very low | 29 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -149.4 | 116.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 77 | T | 33.7 | Very low | 28.9 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -76.5 | 156.9 | -175 | 43.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 78 | P | 31.3 | Very low | 29 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -83.7 | 138.6 | -176.5 | 5.8 | 13.8 | 0 | 0 | 0 | 111.7 | ||||
| 79 | I | 30.6 | Very low | 29 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 72% | 0.723 | 81% | 0.81 | S | S | * | * | trans | -98.5 | 106.3 | 177.4 | -64.9 | 172.4 | 0 | 0 | 0 | 108.7 | R81 | I79-R81 HydrophobicContact CG2-CG 4.15Š| ||
| 80 | E | 25.8 | Very low | 29 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -67.5 | 130.3 | 161.5 | -82.2 | 177.9 | 138.1 | 0 | 0 | 109.9 | ||||
| 81 | R | 30 | Very low | 29 | Very low | 219 Ų | 219 | 147.8 Ų | 147.8 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -125.5 | 95.7 | 163.7 | -76.7 | -173.6 | -177.1 | 154.8 | 1.7 | 109.1 | I79 | I79-R81 HydrophobicContact CG2-CG 4.15Š| ||
| 82 | Q | 24 | Very low | 29.1 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | -76.2 | 125.4 | 156.4 | -97.1 | 176.6 | -46 | 0 | 0 | 108.6 | ||||
| 83 | V | 30.7 | Very low | 29 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -132.8 | 116.9 | 160.7 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 84 | D | 26.7 | Very low | 29.4 | Very low | 130 Ų | 130 | 141 Ų | 141 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | trans | -80.2 | 146.8 | -178.1 | -94.9 | -40 | 0 | 0 | 0 | 113.2 | ||||
| 85 | V | 25.2 | Very low | 29.2 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 68% | 0.679 | 81% | 0.812 | S | S | * | * | trans | 47 | 111 | 136.8 | -169.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 86 | G | 29.1 | Very low | 29.2 | Very low | 81 Ų | 81 | 143.5 Ų | 143.5 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -138.4 | 104.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 87 | H | 26.5 | Very low | 29.2 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -80.4 | 133.9 | 170.6 | -75.1 | 58.1 | 0 | 0 | 0 | 109.9 | ||||
| 88 | S | 31.1 | Very low | 29.1 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -153.5 | 118.8 | 151.3 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 89 | R | 26.5 | Very low | 28.9 | Very low | 236 Ų | 236 | 142.9 Ų | 142.9 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -77.6 | 135.1 | 169.4 | -75.3 | 169.3 | 162.3 | 176.4 | -6.8 | 108.3 | ||||
| 90 | N | 32.6 | Very low | 29 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -134.5 | 103.6 | 150.2 | -108.8 | 6.7 | 0 | 0 | 0 | 109.6 | G92 | N90-G92 PolarHBondContact O-N 2.94Š| ||
| 91 | S | 29.4 | Very low | 29.3 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -76.3 | 103.6 | 169.4 | 50.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 92 | G | 31.3 | Very low | 29.5 | Very low | 75 Ų | 75 | 140.3 Ų | 140.3 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -93.5 | 104.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | N90 | N90-G92 PolarHBondContact O-N 2.94Š| ||
| 93 | A | 27.4 | Very low | 29.9 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -79.3 | 122.6 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 94 | V | 33.8 | Very low | 29.9 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | trans | -133.7 | 134.4 | 165.9 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 95 | P | 29.5 | Very low | 30.2 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | trans | -97.5 | 150.8 | -165 | 36.9 | -30.9 | 0 | 0 | 0 | 114 | ||||
| 96 | R | 26.9 | Very low | 30.5 | Very low | 230 Ų | 230 | 139.3 Ų | 139.3 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | 56.7 | 97.3 | 136.5 | -159.7 | -178.7 | -61.5 | -147 | 1.5 | 117.2 | ||||
| 97 | S | 31.3 | Very low | 30.8 | Very low | 125 Ų | 125 | 140 Ų | 140 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -115.7 | 125.9 | 149.6 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 98 | T | 31.1 | Very low | 31.2 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | trans | -84.5 | 143.7 | -177.1 | 33.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 99 | S | 27.7 | Very low | 31.2 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | 56.2 | 105 | 145.6 | 63.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 100 | L | 31.5 | Very low | 31.5 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -130.9 | 129.9 | 137.8 | -85.5 | 168.6 | 0 | 0 | 0 | 108.9 | ||||
| 101 | P | 34.1 | Very low | 31.6 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 129.7 | -176.1 | 5.4 | 12.2 | 0 | 0 | 0 | 110.6 | A103 | P101-A103 PolarHBondContact O-N 2.74Š|
| 102 | K | 32.9 | Very low | 31.7 | Very low | 201 Ų | 201 | 132.8 Ų | 132.8 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 116.8 | 170.9 | -76.9 | 176.4 | 176.2 | 177.3 | 0 | 109.4 | H104 | K102-H104 PolarHBondContact O-N 2.95Š|
| 103 | A | 31.6 | Very low | 31.8 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 121.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P101 L105 | P101-A103 PolarHBondContact O-N 2.74Å; A103-L105 PolarHBondContact O-N 3.42Å |
| 104 | H | 32.6 | Very low | 32 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -71.6 | 105.4 | 166 | -92.1 | -90.6 | 0 | 0 | 0 | 108.9 | K102 S106 | K102-H104 PolarHBondContact O-N 2.95Å; H104-S106 PolarHBondContact O-N 2.99Å | ||
| 105 | L | 32.6 | Very low | 31.8 | Very low | 169 Ų | 169 | 141 Ų | 141 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -80.7 | 94.2 | 162.8 | -77.7 | 162.5 | 0 | 0 | 0 | 108 | A103 S107 | A103-L105 PolarHBondContact O-N 3.42Å; L105-S107 PolarHBondContact O-N 3.31Å | ||
| 106 | S | 31.5 | Very low | 32 | Very low | 91 Ų | 91 | 145.7 Ų | 145.7 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | -76.8 | 95.7 | 169 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | H104 H108 | H104-S106 PolarHBondContact O-N 2.99Å; S106-H108 PolarHBondContact O-N 3.4Å | ||
| 107 | S | 34.8 | Very low | 32.2 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | -77.3 | 103.5 | 171.5 | 56.1 | 0 | 0 | 0 | 0 | 109.8 | L105 L109 | L105-S107 PolarHBondContact O-N 3.31Å; S107-L109 PolarHBondContact O-N 3.32Å | ||
| 108 | H | 34.3 | Very low | 32 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -66.1 | 95.5 | 164.8 | -68 | -95.7 | 0 | 0 | 0 | 109.4 | S106 | S106-H108 PolarHBondContact O-N 3.4Š| ||
| 109 | L | 32.5 | Very low | 32 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | trans | -104.2 | 87.3 | 163.6 | -77.3 | 163.2 | 0 | 0 | 0 | 107.4 | S107 H111 | S107-L109 PolarHBondContact O-N 3.32Å; L109-H111 PolarHBondContact O-N 3.36Å; L109-H111 VanDerWaalsContact O-N 3.11Å | ||
| 110 | S | 32.8 | Very low | 32.1 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -74 | 94.3 | 170.3 | 64.3 | 0 | 0 | 0 | 0 | 108.7 | G112 | S110-G112 PolarHBondContact O-N 2.72Å; S110-G112 VanDerWaalsContact O-N 3.13Å | ||
| 111 | H | 33.9 | Very low | 32.2 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | trans | -70.8 | 100.5 | 162.6 | -83.6 | -67.3 | 0 | 0 | 0 | 109.1 | L109 N113 | L109-H111 PolarHBondContact O-N 3.36Å; L109-H111 VanDerWaalsContact O-N 3.11Å; H111-N113 VanDerWaalsContact C-N 3.34Å; H111-N113 PolarHBondContact O-N 2.82Å | ||
| 112 | G | 32.4 | Very low | 32.1 | Very low | 69 Ų | 69 | 144.6 Ų | 144.6 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -67 | 91.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110 | S110 L114 | S110-G112 PolarHBondContact O-N 2.72Å; S110-G112 VanDerWaalsContact O-N 3.13Å; G112-L114 PolarHBondContact O-N 3.15Å | ||
| 113 | N | 32.4 | Very low | 31.9 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -81.6 | 96.2 | 169.3 | -119.7 | 19.6 | 0 | 0 | 0 | 108.3 | H111 F115 | H111-N113 VanDerWaalsContact C-N 3.34Å; H111-N113 PolarHBondContact O-N 2.82Å; N113-F115 VanDerWaalsContact C-N 3.25Å; N113-F115 PolarHBondContact O-N 3.25Å | ||
| 114 | L | 32.9 | Very low | 31.9 | Very low | 154 Ų | 154 | 146 Ų | 146 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -68.7 | 86.5 | 164.9 | -91.2 | 108.2 | 0 | 0 | 0 | 108.7 | G112 Y116 | G112-L114 PolarHBondContact O-N 3.15Å; L114-Y116 PolarHBondContact O-N 3.37Å | ||
| 115 | F | 29.2 | Very low | 31.7 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -82.2 | 102 | 170.3 | -161.1 | -101.7 | 0 | 0 | 0 | 108.5 | N113 G117 | N113-F115 VanDerWaalsContact C-N 3.25Å; N113-F115 PolarHBondContact O-N 3.25Å; F115-G117 VanDerWaalsContact C-N 3.29Å; F115-G117 PolarHBondContact O-N 2.74Å | ||
| 116 | Y | 33.9 | Very low | 31.8 | Very low | 208 Ų | 208 | 144.2 Ų | 144.2 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -66 | 88.5 | 168.2 | -97.1 | -92.2 | 0 | 0 | 0 | 109.1 | L114 Q118 | L114-Y116 PolarHBondContact O-N 3.37Å; Y116-Q118 PolarHBondContact O-N 2.83Å | ||
| 117 | G | 30.8 | Very low | 31.8 | Very low | 62 Ų | 62 | 145.7 Ų | 145.7 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | trans | -74.4 | 98.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | F115 Q119 | F115-G117 VanDerWaalsContact C-N 3.29Å; F115-G117 PolarHBondContact O-N 2.74Å; G117-Q119 PolarHBondContact O-N 2.81Å | ||
| 118 | Q | 27.3 | Very low | 31.5 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -72.1 | 108.1 | 159.6 | -78.7 | 179.2 | -5.7 | 0 | 0 | 108.5 | Y116 | Y116-Q118 PolarHBondContact O-N 2.83Š| ||
| 119 | Q | 30.2 | Very low | 31.5 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -124.4 | 121.8 | 157.1 | -97.1 | -174.5 | -8 | 0 | 0 | 109.3 | G117 L121 | G117-Q119 PolarHBondContact O-N 2.81Å; Q119-L121 PolarHBondContact O-N 3.27Å | ||
| 120 | P | 31 | Very low | 31.5 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | trans | -75.4 | 110.4 | -179 | 28.8 | -30.7 | 0 | 0 | 0 | 109.6 | ||||
| 121 | L | 33.7 | Very low | 31.3 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -83.3 | 120.5 | 172.7 | -72.3 | 174.5 | 0 | 0 | 0 | 110.3 | Q119 | Q119-L121 PolarHBondContact O-N 3.27Š| ||
| 122 | S | 31.7 | Very low | 31.3 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -34.1 | 132.8 | 168.8 | 176.4 | 0 | 0 | 0 | 0 | 114.5 | R124 | S122-R124 PolarHBondContact O-N 3.45Š| ||
| 123 | A | 27.9 | Very low | 31.3 | Very low | 94 Ų | 94 | 150.7 Ų | 150.7 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | -47.3 | 126.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 124 | R | 31.9 | Very low | 31.1 | Very low | 229 Ų | 229 | 151.9 Ų | 151.9 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -136.9 | 104.6 | 163.4 | -159.9 | 170.3 | -176.7 | 159.2 | 0.2 | 107.5 | S122 V126 | S122-R124 PolarHBondContact O-N 3.45Å; R124-V126 PolarHBondContact O-N 2.78Å | ||
| 125 | E | 27.6 | Very low | 31 | Very low | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -53.8 | 120.9 | 168.3 | -70.6 | 167.5 | 140.1 | 0 | 0 | 109.3 | ||||
| 126 | V | 34.5 | Very low | 31.4 | Very low | 127 Ų | 127 | 145 Ų | 145 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -135.1 | 118.5 | 160.6 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | R124 | R124-V126 PolarHBondContact O-N 2.78Š| ||
| 127 | T | 32.7 | Very low | 31.1 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -58.4 | 145.1 | 178.9 | 42.5 | 0 | 0 | 0 | 0 | 114 | Q129 | T127-Q129 PolarHBondContact O-N 3.14Š| ||
| 128 | D | 28.6 | Very low | 31.4 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -36.2 | 119.5 | 169.7 | -68.6 | -49.1 | 0 | 0 | 0 | 115.1 | ||||
| 129 | Q | 33.6 | Very low | 31.7 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -143.7 | 76.9 | 154.3 | -68.3 | -168.6 | 10.1 | 0 | 0 | 108.8 | T127 | T127-Q129 PolarHBondContact O-N 3.14Š| ||
| 130 | N | 33.7 | Very low | 31.7 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | trans | -92 | 101.9 | 165.8 | -105.5 | -1.1 | 0 | 0 | 0 | 108.7 | ||||
| 131 | S | 28.4 | Very low | 32 | Very low | 114 Ų | 114 | 148 Ų | 148 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -132.5 | 95.3 | 170.7 | -154.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 132 | I | 33.8 | Very low | 32 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -143.5 | 91.7 | 164.3 | -57.7 | -179.2 | 0 | 0 | 0 | 103.7 | ||||
| 133 | A | 31.2 | Very low | 32.1 | Very low | 75 Ų | 75 | 145.8 Ų | 145.8 | 62% | 0.62 | 82% | 0.816 | S | S | * | * | 62.9 | 98.2 | 76.7 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 134 | D | 29.6 | Very low | 32.3 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | 56.5 | 118.2 | 136.7 | -59.4 | -27 | 0 | 0 | 0 | 121.5 | ||||
| 135 | G | 30.4 | Very low | 32.3 | Very low | 74 Ų | 74 | 145.8 Ų | 145.8 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | 171.4 | 122.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 136 | P | 36.4 | Very low | 32.8 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -114.4 | 163 | -143.4 | 40.6 | -30.8 | 0 | 0 | 0 | 116.8 | ||||
| 137 | N | 29.2 | Very low | 32.6 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | 50.1 | 104.6 | 140 | -82 | -28.9 | 0 | 0 | 0 | 119.6 | ||||
| 138 | L | 36 | Very low | 32.7 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -145.3 | 111 | 139 | -87.6 | 175.5 | 0 | 0 | 0 | 111.6 | ||||
| 139 | R | 33.2 | Very low | 33 | Very low | 229 Ų | 229 | 145.1 Ų | 145.1 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | 74.6 | 83.3 | 155.2 | -72.9 | -177.1 | 170.9 | -179.7 | -2.6 | 119 | ||||
| 140 | D | 31 | Very low | 33.3 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -61.8 | 129.8 | 141.3 | -71.1 | -47.6 | 0 | 0 | 0 | 111.3 | ||||
| 141 | V | 36.1 | Very low | 33.5 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -124.3 | 136.8 | 158.3 | 173.7 | 0 | 0 | 0 | 0 | 106 | S143 | V141-S143 PolarHBondContact O-N 2.81Š| ||
| 142 | P | 34.1 | Very low | 34 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -75 | 123.5 | -143.1 | -13.8 | 28.5 | 0 | 0 | 0 | 112.9 | L144 | P142-L144 PolarHBondContact O-N 3.49Š| ||
| 143 | S | 34.3 | Very low | 34.4 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -70.5 | 122.9 | 164.8 | -164 | 0 | 0 | 0 | 0 | 108.9 | V141 D145 | V141-S143 PolarHBondContact O-N 2.81Å; S143-D145 VanDerWaalsContact C-N 3.28Å; S143-D145 PolarHBondContact O-N 3.38Å | ||
| 144 | L | 32.4 | Very low | 35.1 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -67.5 | 82.3 | 178.2 | -165.1 | 83.6 | 0 | 0 | 0 | 109.4 | P142 T146 | P142-L144 PolarHBondContact O-N 3.49Å; L144-T146 PolarHBondContact O-N 3.44Å | ||
| 145 | D | 31.5 | Very low | 36.1 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -92.3 | 83.4 | 175.7 | -155.1 | 11.1 | 0 | 0 | 0 | 109.1 | S143 | S143-D145 VanDerWaalsContact C-N 3.28Å; S143-D145 PolarHBondContact O-N 3.38Å | ||
| 146 | T | 37.7 | Very low | 37.7 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -145.7 | 93.6 | 164 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | L144 | L144-T146 PolarHBondContact O-N 3.44Š| ||
| 147 | G | 30.5 | Very low | 39.3 | Very low | 61 Ų | 61 | 143.5 Ų | 143.5 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 103.6 | 66.7 | 146.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 148 | Q | 34.2 | Very low | 41.6 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -147.8 | 52.8 | 148.7 | -120.7 | 156 | -9.2 | 0 | 0 | 113.1 | V150 | Q148-V150 VanDerWaalsContact C-N 3.26Å; Q148-V150 PolarHBondContact O-N 2.94Å | ||
| 149 | K | 35.7 | Very low | 43.5 | Very low | 211 Ų | 211 | 142 Ų | 142 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 54 | 165.3 | -135.3 | 179.5 | -167 | 178.1 | 0 | 110.3 | ||
| 150 | V | 39.8 | Very low | 45.9 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.3 | -4.3 | 175.1 | -164.9 | 0 | 0 | 0 | 0 | 114.9 | Q148 | Q148-V150 VanDerWaalsContact C-N 3.26Å; Q148-V150 PolarHBondContact O-N 2.94Å |
| 151 | F | 37.3 | Very low | 48.4 | Very low | 197 Ų | 197 | 133.2 Ų | 133.2 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -124 | 71.5 | 175.7 | -88.6 | -88.1 | 0 | 0 | 0 | 111.3 | ||||
| 152 | G | 39.2 | Very low | 50.9 | Low | 57 Ų | 57 | 132.3 Ų | 132.3 | 59% | 0.588 | 71% | 0.707 | S | S | * | * | trans | -149.3 | 64.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 153 | Q | 43.3 | Very low | 53.4 | Low | 177 Ų | 177 | 134.2 Ų | 134.2 | 83% | 0.827 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -176.8 | 132.4 | 160 | -100.5 | 153.7 | 41.1 | 0 | 0 | 107 | ||
| 154 | H | 46.1 | Very low | 56 | Low | 188 Ų | 188 | 135.8 Ų | 135.8 | 87% | 0.87 | 69% | 0.687 | S | S | * | * | trans | 86 | 49.2 | -165.8 | -50 | -78.8 | 0 | 0 | 0 | 115.3 | S156 | H154-S156 PolarHBondContact O-N 3.37Å; H154-S156 VanDerWaalsContact O-N 3.14Å | ||
| 155 | F | 49.9 | Very low | 58.9 | Low | 150 Ų | 150 | 132.7 Ų | 132.7 | 66% | 0.658 | 67% | 0.667 | S | S | * | * | trans | -64.1 | 111.1 | 140.4 | -76.8 | -78.3 | 0 | 0 | 0 | 105.7 | Y159 | F155-Y159 AromaticContact CD1-CD1 3.89Å; F155-Y159 HydrophobicContact CD1-CD1 3.89Å; F155-Y159 HydrophobicContact CD1-CE1 4.17Å; F155-Y159 HydrophobicContact CD1-CG 4.42Å | ||
| 156 | S | 63.1 | Low | 61.8 | Low | 44 Ų | 44 | 133 Ų | 133 | 31% | 0.308 | 66% | 0.657 | S | S | . | * | trans | -49 | 137.8 | -178.6 | 173.5 | 0 | 0 | 0 | 0 | 109.1 | H154 E158 Y159 E160 | H154-S156 PolarHBondContact O-N 3.37Å; H154-S156 VanDerWaalsContact O-N 3.14Å; S156-E158 PolarHBondContact O-N 3.39Å; S156-E158 VanDerWaalsContact OG-CB 3.27Å; S156-E158 WeakPolarHBondContact OG-CB 3.4Å; S156-E158 WeakPolarHBondContact OG-CG 3.5Å; S156-E158 PolarHBondContact OG-N 2.95Å; S156-E158 VanDerWaalsContact OG-N 3.09Å; S156-E158 PolarHBondContact OG-OE2 2.92Å; S156-Y159 WeakPolarHBondContact O-CA 3.37Å; S156-Y159 WeakPolarHBondContact O-CB 3.49Å; S156-Y159 PolarHBondContact O-N 3.01Å; S156-E160 PolarHBondContact O-N 3.13Å | ||
| 157 | P | 71.1 | Confident | 64.4 | Low | 106 Ų | 106 | 130.5 Ų | 130.5 | 69% | 0.688 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -48.5 | -29.1 | 167.3 | -24.4 | 32.4 | 0 | 0 | 0 | 112 | E160 L161 | P157-E160 PolarHBondContact O-N 3.44Å; P157-L161 WeakPolarHBondContact O-CB 3.23Å; P157-L161 PolarHBondContact O-N 2.84Å |
| 158 | E | 76.4 | Confident | 67.4 | Low | 150 Ų | 150 | 131.5 Ų | 131.5 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.7 | -36.7 | 173.7 | -61.4 | 172.9 | 149.5 | 0 | 0 | 112.9 | S156 L161 L162 | S156-E158 PolarHBondContact O-N 3.39Å; S156-E158 VanDerWaalsContact OG-CB 3.27Å; S156-E158 WeakPolarHBondContact OG-CB 3.4Å; S156-E158 WeakPolarHBondContact OG-CG 3.5Å; S156-E158 PolarHBondContact OG-N 2.95Å; S156-E158 VanDerWaalsContact OG-N 3.09Å; S156-E158 PolarHBondContact OG-OE2 2.92Å; E158-L161 PolarHBondContact O-N 3.09Å; E158-L162 WeakPolarHBondContact O-CB 3.15Å; E158-L162 PolarHBondContact O-N 2.85Å |
| 159 | Y | 77.1 | Confident | 70.2 | Confident | 130 Ų | 130 | 126.9 Ų | 126.9 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.4 | -41.3 | 175.8 | -179 | -95.8 | 0 | 0 | 0 | 110.9 | F155 S156 L161 L162 R163 | F155-Y159 AromaticContact CD1-CD1 3.89Å; F155-Y159 HydrophobicContact CD1-CD1 3.89Å; F155-Y159 HydrophobicContact CD1-CE1 4.17Å; F155-Y159 HydrophobicContact CD1-CG 4.42Å; S156-Y159 WeakPolarHBondContact O-CA 3.37Å; S156-Y159 WeakPolarHBondContact O-CB 3.49Å; S156-Y159 PolarHBondContact O-N 3.01Å; Y159-L161 VanDerWaalsContact C-N 3.35Å; Y159-L162 PolarHBondContact O-N 2.81Å; Y159-R163 VanDerWaalsContact O-CB 3.23Å; Y159-R163 WeakPolarHBondContact O-CB 3.49Å; Y159-R163 PolarHBondContact O-N 2.76Å |
| 160 | E | 82.1 | Confident | 73 | Confident | 98 Ų | 98 | 119.7 Ų | 119.7 | 46% | 0.458 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.8 | -37.7 | 173.2 | -81.7 | -127.7 | 178.3 | 0 | 0 | 112.8 | S156 P157 R164 | S156-E160 PolarHBondContact O-N 3.13Å; P157-E160 PolarHBondContact O-N 3.44Å; E160-R164 PolarHBondContact O-N 3.46Å; E160-R164 VanDerWaalsContact O-N 3.08Å; E160-R164 IonicContact OE2-CZ 3.8Å; E160-R164 IonicContact OE2-NH1 3.26Å; E160-R164 PolarHBondContact OE2-NH1 3.46Å; E160-R164 IonicContact OE2-NH2 2.89Å |
| 161 | L | 84.2 | Confident | 75.6 | Confident | 103 Ų | 103 | 119.2 Ų | 119.2 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.6 | -51.5 | 174 | -128.7 | 91.8 | 0 | 0 | 0 | 110.5 | P157 E158 Y159 R163 R164 E165 | P157-L161 WeakPolarHBondContact O-CB 3.23Å; P157-L161 PolarHBondContact O-N 2.84Å; E158-L161 PolarHBondContact O-N 3.09Å; Y159-L161 VanDerWaalsContact C-N 3.35Å; L161-R163 VanDerWaalsContact C-N 3.27Å; L161-R163 PolarHBondContact O-N 3.39Å; L161-R164 CarbonylContact O-C 3.59Å; L161-R164 WeakPolarHBondContact O-CA 3.28Å; L161-R164 WeakPolarHBondContact O-CB 3.46Å; L161-R164 PolarHBondContact O-N 2.78Å; L161-E165 WeakPolarHBondContact O-CG 3.38Å; L161-E165 PolarHBondContact O-N 2.88Å |
| 162 | L | 88.8 | Confident | 78.3 | Confident | 108 Ų | 108 | 116.9 Ų | 116.9 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.3 | -37.2 | -178.2 | -170.2 | 66.6 | 0 | 0 | 0 | 111.2 | E158 Y159 E165 W166 | E158-L162 WeakPolarHBondContact O-CB 3.15Å; E158-L162 PolarHBondContact O-N 2.85Å; Y159-L162 PolarHBondContact O-N 2.81Å; L162-E165 PolarHBondContact O-N 3.4Å; L162-W166 WeakPolarHBondContact O-CB 3.39Å; L162-W166 PolarHBondContact O-N 2.97Å |
| 163 | R | 87 | Confident | 80.8 | Confident | 162 Ų | 162 | 119.6 Ų | 119.6 | 61% | 0.611 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.9 | -41.3 | 173.6 | -171.1 | 178.9 | -179.9 | -148.3 | 0.4 | 112 | Y159 L161 W166 Q167 | Y159-R163 VanDerWaalsContact O-CB 3.23Å; Y159-R163 WeakPolarHBondContact O-CB 3.49Å; Y159-R163 PolarHBondContact O-N 2.76Å; L161-R163 VanDerWaalsContact C-N 3.27Å; L161-R163 PolarHBondContact O-N 3.39Å; R163-W166 PolarHBondContact O-N 3.22Å; R163-Q167 WeakPolarHBondContact O-CB 3.44Å; R163-Q167 PolarHBondContact O-N 3.15Å |
| 164 | R | 88.2 | Confident | 82.8 | Confident | 149 Ų | 149 | 115.6 Ų | 115.6 | 56% | 0.562 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -41.9 | 173.5 | -82.7 | -177.3 | -178.6 | 86 | -0.9 | 111.7 | E160 L161 Q167 N168 | E160-R164 PolarHBondContact O-N 3.46Å; E160-R164 VanDerWaalsContact O-N 3.08Å; E160-R164 IonicContact OE2-CZ 3.8Å; E160-R164 IonicContact OE2-NH1 3.26Å; E160-R164 PolarHBondContact OE2-NH1 3.46Å; E160-R164 IonicContact OE2-NH2 2.89Å; L161-R164 CarbonylContact O-C 3.59Å; L161-R164 WeakPolarHBondContact O-CA 3.28Å; L161-R164 WeakPolarHBondContact O-CB 3.46Å; L161-R164 PolarHBondContact O-N 2.78Å; R164-Q167 PolarHBondContact O-N 3.33Å; R164-N168 WeakPolarHBondContact O-CB 3.48Å; R164-N168 PolarHBondContact O-N 3.11Å; R164-N168 PolarHBondContact O-ND2 3.44Å |
| 165 | E | 93.8 | Very high | 84.8 | Confident | 105 Ų | 105 | 109.4 Ų | 109.4 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 176.4 | -72.6 | 179.9 | 168.9 | 0 | 0 | 111.7 | L161 L162 N168 T169 | L161-E165 WeakPolarHBondContact O-CG 3.38Å; L161-E165 PolarHBondContact O-N 2.88Å; L162-E165 PolarHBondContact O-N 3.4Å; E165-N168 PolarHBondContact O-N 2.87Å; E165-T169 WeakPolarHBondContact O-CG2 3.47Å; E165-T169 PolarHBondContact O-N 2.83Å; E165-T169 PolarHBondContact O-OG1 3.02Å; E165-T169 VanDerWaalsContact O-OG1 3.12Å |
| 166 | W | 91.8 | Very high | 86.2 | Confident | 159 Ų | 159 | 105.9 Ų | 105.9 | 60% | 0.602 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.6 | -46.6 | 173.9 | -178.3 | 79.3 | 0 | 0 | 0 | 111.5 | L162 R163 N168 T169 V170 | L162-W166 WeakPolarHBondContact O-CB 3.39Å; L162-W166 PolarHBondContact O-N 2.97Å; R163-W166 PolarHBondContact O-N 3.22Å; W166-N168 VanDerWaalsContact C-N 3.34Å; W166-N168 PolarHBondContact O-N 3.48Å; W166-T169 WeakPolarHBondContact CA-OG1 3.43Å; W166-T169 PolarHBondContact O-N 3.32Å; W166-T169 PolarHBondContact O-OG1 2.77Å; W166-V170 HydrophobicContact CD2-CG2 4.24Å; W166-V170 HydrophobicContact CH2-CG2 4.43Å; W166-V170 HydrophobicContact CZ2-CG2 4.05Å; W166-V170 WeakPolarHBondContact O-CG2 3.34Å; W166-V170 PolarHBondContact O-N 2.84Å |
| 167 | Q | 92.5 | Very high | 87.1 | Confident | 84 Ų | 84 | 108.3 Ų | 108.3 | 39% | 0.393 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 176.5 | -155 | 74.9 | 16.6 | 0 | 0 | 111.8 | R163 R164 T169 V170 E171 | R163-Q167 WeakPolarHBondContact O-CB 3.44Å; R163-Q167 PolarHBondContact O-N 3.15Å; R164-Q167 PolarHBondContact O-N 3.33Å; Q167-T169 PolarHBondContact O-N 3.13Å; Q167-V170 PolarHBondContact O-N 3.17Å; Q167-E171 WeakPolarHBondContact O-CG 3.28Å; Q167-E171 PolarHBondContact O-N 2.79Å |
| 168 | N | 93.9 | Very high | 87.4 | Confident | 82 Ų | 82 | 107.2 Ų | 107.2 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -38.2 | 177.5 | -76.8 | -26 | 0 | 0 | 0 | 112.6 | R164 E165 W166 E171 K172 | R164-N168 WeakPolarHBondContact O-CB 3.48Å; R164-N168 PolarHBondContact O-N 3.11Å; R164-N168 PolarHBondContact O-ND2 3.44Å; E165-N168 PolarHBondContact O-N 2.87Å; W166-N168 VanDerWaalsContact C-N 3.34Å; W166-N168 PolarHBondContact O-N 3.48Å; N168-E171 PolarHBondContact O-N 3.47Å; N168-K172 WeakPolarHBondContact O-CB 3.33Å; N168-K172 VanDerWaalsContact O-CG 3.25Å; N168-K172 WeakPolarHBondContact O-CG 3.47Å; N168-K172 PolarHBondContact O-N 2.76Å |
| 169 | T | 93.1 | Very high | 87.3 | Confident | 82 Ų | 82 | 103.1 Ų | 103.1 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 176.3 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | E165 W166 Q167 K172 L173 | E165-T169 WeakPolarHBondContact O-CG2 3.47Å; E165-T169 PolarHBondContact O-N 2.83Å; E165-T169 PolarHBondContact O-OG1 3.02Å; E165-T169 VanDerWaalsContact O-OG1 3.12Å; W166-T169 WeakPolarHBondContact CA-OG1 3.43Å; W166-T169 PolarHBondContact O-N 3.32Å; W166-T169 PolarHBondContact O-OG1 2.77Å; Q167-T169 PolarHBondContact O-N 3.13Å; T169-K172 PolarHBondContact O-N 3.18Å; T169-L173 VanDerWaalsContact O-CB 3.24Å; T169-L173 WeakPolarHBondContact O-CB 3.38Å; T169-L173 PolarHBondContact O-N 2.83Å |
| 170 | V | 94.4 | Very high | 87 | Confident | 60 Ų | 60 | 103 Ų | 103 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 111 | W166 Q167 L173 N174 | W166-V170 HydrophobicContact CD2-CG2 4.24Å; W166-V170 HydrophobicContact CH2-CG2 4.43Å; W166-V170 HydrophobicContact CZ2-CG2 4.05Å; W166-V170 WeakPolarHBondContact O-CG2 3.34Å; W166-V170 PolarHBondContact O-N 2.84Å; Q167-V170 PolarHBondContact O-N 3.17Å; V170-L173 PolarHBondContact O-N 2.76Å; V170-N174 VanDerWaalsContact O-CB 3.3Å; V170-N174 WeakPolarHBondContact O-CB 3.19Å; V170-N174 PolarHBondContact O-N 2.83Å |
| 171 | E | 94.2 | Very high | 86.4 | Confident | 112 Ų | 112 | 104.8 Ų | 104.8 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 177.1 | -75.9 | 176.9 | -167.6 | 0 | 0 | 112.3 | Q167 N168 N174 A175 | Q167-E171 WeakPolarHBondContact O-CG 3.28Å; Q167-E171 PolarHBondContact O-N 2.79Å; N168-E171 PolarHBondContact O-N 3.47Å; E171-N174 PolarHBondContact O-N 2.84Å; E171-A175 WeakPolarHBondContact O-CB 2.93Å; E171-A175 PolarHBondContact O-N 2.7Å |
| 172 | K | 93.3 | Very high | 85.8 | Confident | 149 Ų | 149 | 103.6 Ų | 103.6 | 65% | 0.648 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 174 | -77 | 175.5 | -178 | 179.6 | 0 | 111.7 | N168 T169 N174 A175 T176 | N168-K172 WeakPolarHBondContact O-CB 3.33Å; N168-K172 VanDerWaalsContact O-CG 3.25Å; N168-K172 WeakPolarHBondContact O-CG 3.47Å; N168-K172 PolarHBondContact O-N 2.76Å; T169-K172 PolarHBondContact O-N 3.18Å; K172-N174 VanDerWaalsContact C-N 3.31Å; K172-N174 PolarHBondContact O-N 3.38Å; K172-A175 PolarHBondContact O-N 3.23Å; K172-T176 PolarHBondContact O-N 2.83Å; K172-T176 PolarHBondContact O-OG1 3.35Å |
| 173 | L | 92 | Very high | 84.8 | Confident | 113 Ų | 113 | 106 Ų | 106 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 177.2 | -165.9 | 80.2 | 0 | 0 | 0 | 110.4 | T169 V170 T176 M177 | T169-L173 VanDerWaalsContact O-CB 3.24Å; T169-L173 WeakPolarHBondContact O-CB 3.38Å; T169-L173 PolarHBondContact O-N 2.83Å; V170-L173 PolarHBondContact O-N 2.76Å; L173-T176 VanDerWaalsContact C-OG1 3.31Å; L173-T176 VanDerWaalsContact CA-OG1 3.28Å; L173-T176 WeakPolarHBondContact CA-OG1 3.27Å; L173-T176 PolarHBondContact O-N 2.94Å; L173-T176 PolarHBondContact O-OG1 3.31Å; L173-M177 WeakPolarHBondContact O-CB 3.29Å; L173-M177 PolarHBondContact O-N 3.42Å |
| 174 | N | 86.7 | Confident | 83.5 | Confident | 93 Ų | 93 | 104.2 Ų | 104.2 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 178.2 | -151.9 | 16.9 | 0 | 0 | 0 | 111.6 | V170 E171 K172 M177 N178 | V170-N174 VanDerWaalsContact O-CB 3.3Å; V170-N174 WeakPolarHBondContact O-CB 3.19Å; V170-N174 PolarHBondContact O-N 2.83Å; E171-N174 PolarHBondContact O-N 2.84Å; K172-N174 VanDerWaalsContact C-N 3.31Å; K172-N174 PolarHBondContact O-N 3.38Å; N174-M177 WeakPolarHBondContact O-CB 3.43Å; N174-M177 PolarHBondContact O-N 3.37Å; N174-N178 WeakPolarHBondContact O-CB 3.2Å; N174-N178 VanDerWaalsContact O-CG 3.23Å; N174-N178 PolarHBondContact O-N 2.96Å; N174-N178 PolarHBondContact O-ND2 3.18Å |
| 175 | A | 87.4 | Confident | 82.3 | Confident | 59 Ų | 59 | 99 Ų | 99 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | E171 K172 N178 S179 | E171-A175 WeakPolarHBondContact O-CB 2.93Å; E171-A175 PolarHBondContact O-N 2.7Å; K172-A175 PolarHBondContact O-N 3.23Å; A175-N178 PolarHBondContact O-N 3.1Å; A175-S179 WeakPolarHBondContact O-CB 3.47Å; A175-S179 PolarHBondContact O-N 3.33Å |
| 176 | T | 79.8 | Confident | 81 | Confident | 75 Ų | 75 | 98.1 Ų | 98.1 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 173.6 | 44.8 | 0 | 0 | 0 | 0 | 112.2 | K172 L173 N178 S179 I180 | K172-T176 PolarHBondContact O-N 2.83Å; K172-T176 PolarHBondContact O-OG1 3.35Å; L173-T176 VanDerWaalsContact C-OG1 3.31Å; L173-T176 VanDerWaalsContact CA-OG1 3.28Å; L173-T176 WeakPolarHBondContact CA-OG1 3.27Å; L173-T176 PolarHBondContact O-N 2.94Å; L173-T176 PolarHBondContact O-OG1 3.31Å; T176-N178 VanDerWaalsContact C-N 3.32Å; T176-N178 PolarHBondContact O-N 2.84Å; T176-S179 PolarHBondContact O-N 2.77Å; T176-I180 WeakPolarHBondContact O-CB 3.25Å; T176-I180 WeakPolarHBondContact O-CD1 3.31Å; T176-I180 VanDerWaalsContact O-CG1 3.23Å; T176-I180 WeakPolarHBondContact O-CG1 3.28Å; T176-I180 PolarHBondContact O-N 2.83Å |
| 177 | M | 82.2 | Confident | 79.8 | Confident | 95 Ų | 95 | 97.5 Ų | 97.5 | 47% | 0.468 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.2 | -169.3 | 91.7 | 78 | 0 | 0 | 110.9 | L173 N174 I180 K181 | L173-M177 WeakPolarHBondContact O-CB 3.29Å; L173-M177 PolarHBondContact O-N 3.42Å; N174-M177 WeakPolarHBondContact O-CB 3.43Å; N174-M177 PolarHBondContact O-N 3.37Å; M177-I180 PolarHBondContact O-N 2.82Å; M177-K181 HydrophobicContact CG-CD 4.49Å; M177-K181 WeakPolarHBondContact O-CB 3.44Å; M177-K181 VanDerWaalsContact O-CG 3.27Å; M177-K181 WeakPolarHBondContact O-CG 3.2Å; M177-K181 PolarHBondContact O-N 3.5Å |
| 178 | N | 77.5 | Confident | 78.9 | Confident | 83 Ų | 83 | 97.4 Ų | 97.4 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.6 | -38 | 177.5 | -71.3 | -23.1 | 0 | 0 | 0 | 112.6 | N174 A175 T176 K181 S182 | N174-N178 WeakPolarHBondContact O-CB 3.2Å; N174-N178 VanDerWaalsContact O-CG 3.23Å; N174-N178 PolarHBondContact O-N 2.96Å; N174-N178 PolarHBondContact O-ND2 3.18Å; A175-N178 PolarHBondContact O-N 3.1Å; T176-N178 VanDerWaalsContact C-N 3.32Å; T176-N178 PolarHBondContact O-N 2.84Å; N178-K181 PolarHBondContact O-N 3.32Å; N178-S182 WeakPolarHBondContact O-CB 3.3Å; N178-S182 PolarHBondContact O-N 2.72Å; N178-S182 PolarHBondContact O-OG 3.24Å |
| 179 | S | 73.1 | Confident | 78.2 | Confident | 65 Ų | 65 | 99.3 Ų | 99.3 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58 | -51.8 | 170.7 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | A175 T176 K181 S182 F183 | A175-S179 WeakPolarHBondContact O-CB 3.47Å; A175-S179 PolarHBondContact O-N 3.33Å; T176-S179 PolarHBondContact O-N 2.77Å; S179-K181 PolarHBondContact O-N 2.86Å; S179-S182 CarbonylContact O-C 3.6Å; S179-S182 PolarHBondContact O-N 2.94Å; S179-S182 VanDerWaalsContact O-N 3.12Å; S179-S182 PolarHBondContact O-OG 3.32Å; S179-F183 WeakPolarHBondContact O-CB 3.48Å; S179-F183 PolarHBondContact O-N 3.12Å |
| 180 | I | 72 | Confident | 77.5 | Confident | 126 Ų | 126 | 102.6 Ų | 102.6 | 65% | 0.646 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 179.1 | -66.6 | 163 | 0 | 0 | 0 | 111.4 | T176 M177 S182 F183 | T176-I180 WeakPolarHBondContact O-CB 3.25Å; T176-I180 WeakPolarHBondContact O-CD1 3.31Å; T176-I180 VanDerWaalsContact O-CG1 3.23Å; T176-I180 WeakPolarHBondContact O-CG1 3.28Å; T176-I180 PolarHBondContact O-N 2.83Å; M177-I180 PolarHBondContact O-N 2.82Å; I180-S182 VanDerWaalsContact C-N 3.27Å; I180-S182 PolarHBondContact O-N 3.36Å; I180-F183 PolarHBondContact O-N 3.39Å |
| 181 | K | 69.4 | Low | 77.1 | Confident | 137 Ų | 137 | 104 Ų | 104 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.1 | -29.1 | 176.2 | -78.4 | 178.3 | -179.9 | 179.5 | 0 | 113.6 | M177 N178 S179 W184 | M177-K181 HydrophobicContact CG-CD 4.49Å; M177-K181 WeakPolarHBondContact O-CB 3.44Å; M177-K181 VanDerWaalsContact O-CG 3.27Å; M177-K181 WeakPolarHBondContact O-CG 3.2Å; M177-K181 PolarHBondContact O-N 3.5Å; N178-K181 PolarHBondContact O-N 3.32Å; S179-K181 PolarHBondContact O-N 2.86Å; K181-W184 PolarHBondContact O-NE1 2.88Å |
| 182 | S | 70.9 | Confident | 76.7 | Confident | 78 Ų | 78 | 104.3 Ų | 104.3 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -92.1 | -20 | 176.7 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | N178 S179 I180 W184 | N178-S182 WeakPolarHBondContact O-CB 3.3Å; N178-S182 PolarHBondContact O-N 2.72Å; N178-S182 PolarHBondContact O-OG 3.24Å; S179-S182 CarbonylContact O-C 3.6Å; S179-S182 PolarHBondContact O-N 2.94Å; S179-S182 VanDerWaalsContact O-N 3.12Å; S179-S182 PolarHBondContact O-OG 3.32Å; I180-S182 VanDerWaalsContact C-N 3.27Å; I180-S182 PolarHBondContact O-N 3.36Å; S182-W184 PolarHBondContact O-N 2.83Å |
| 183 | F | 67.2 | Low | 76.4 | Confident | 159 Ų | 159 | 100 Ų | 100 | 70% | 0.697 | 52% | 0.516 | S | S | * | . | trans | -77.4 | 54.1 | 175.8 | -151.9 | -94.9 | 0 | 0 | 0 | 111.4 | S179 I180 S185 | S179-F183 WeakPolarHBondContact O-CB 3.48Å; S179-F183 PolarHBondContact O-N 3.12Å; I180-F183 PolarHBondContact O-N 3.39Å; F183-S185 PolarHBondContact O-N 3.37Å | ||
| 184 | W | 60.9 | Low | 76.1 | Confident | 124 Ų | 124 | 99.2 Ų | 99.2 | 47% | 0.47 | 51% | 0.512 | S | S | . | . | trans | -65.5 | 117.7 | 159.7 | -61.9 | 86.4 | 0 | 0 | 0 | 107 | K181 S182 K189 | K181-W184 PolarHBondContact O-NE1 2.88Å; S182-W184 PolarHBondContact O-N 2.83Å; W184-K189 HydrophobicContact CB-CD 4.5Å; W184-K189 HydrophobicContact CB-CG 4.32Å | ||
| 185 | S | 61.9 | Low | 76.3 | Confident | 38 Ų | 38 | 101.6 Ų | 101.6 | 27% | 0.266 | 51% | 0.514 | S | S | . | . | trans | -48.7 | 130 | 177 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | F183 E187 L188 K189 | F183-S185 PolarHBondContact O-N 3.37Å; S185-E187 PolarHBondContact O-N 3.31Å; S185-L188 WeakPolarHBondContact O-CB 3.39Å; S185-L188 PolarHBondContact O-N 3.49Å; S185-K189 PolarHBondContact O-N 2.79Å | ||
| 186 | P | 67.6 | Low | 76.6 | Confident | 88 Ų | 88 | 106.3 Ų | 106.3 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -49.9 | -29.8 | 176.4 | -28.8 | 35.3 | 0 | 0 | 0 | 113.1 | K189 K190 | P186-K189 PolarHBondContact O-N 2.84Å; P186-K190 WeakPolarHBondContact O-CG 3.21Å; P186-K190 PolarHBondContact O-N 3.36Å |
| 187 | E | 66.4 | Low | 76.9 | Confident | 146 Ų | 146 | 107.1 Ų | 107.1 | 68% | 0.682 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.6 | -45.1 | 174.4 | -67.1 | 164.9 | 166.7 | 0 | 0 | 112.3 | S185 K189 K190 E191 | S185-E187 PolarHBondContact O-N 3.31Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 2.99Å; E187-K190 CarbonylContact O-C 3.55Å; E187-K190 WeakPolarHBondContact O-CB 3.16Å; E187-K190 PolarHBondContact O-N 3.46Å; E187-E191 WeakPolarHBondContact O-CB 3.33Å; E187-E191 PolarHBondContact O-N 3.11Å |
| 188 | L | 73.2 | Confident | 77.2 | Confident | 82 Ų | 82 | 107.9 Ų | 107.9 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 177.4 | -117.1 | 154.8 | 0 | 0 | 0 | 112.1 | S185 R192 | S185-L188 WeakPolarHBondContact O-CB 3.39Å; S185-L188 PolarHBondContact O-N 3.49Å; L188-R192 WeakPolarHBondContact O-CG 3.37Å; L188-R192 PolarHBondContact O-N 3.07Å |
| 189 | K | 78.8 | Confident | 78 | Confident | 121 Ų | 121 | 106.3 Ų | 106.3 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 171.6 | -83.8 | 178.4 | 176.5 | 167.5 | 0 | 111.6 | W184 S185 P186 E187 R192 A193 | W184-K189 HydrophobicContact CB-CD 4.5Å; W184-K189 HydrophobicContact CB-CG 4.32Å; S185-K189 PolarHBondContact O-N 2.79Å; P186-K189 PolarHBondContact O-N 2.84Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 2.99Å; K189-R192 PolarHBondContact O-N 3.44Å; K189-A193 PolarHBondContact O-N 3.31Å |
| 190 | K | 79.6 | Confident | 78.8 | Confident | 152 Ų | 152 | 107 Ų | 107 | 66% | 0.661 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.7 | -43.4 | 174.7 | -77.6 | 178.4 | 179.7 | -178.5 | 0 | 111.5 | P186 E187 A193 L194 | P186-K190 WeakPolarHBondContact O-CG 3.21Å; P186-K190 PolarHBondContact O-N 3.36Å; E187-K190 CarbonylContact O-C 3.55Å; E187-K190 WeakPolarHBondContact O-CB 3.16Å; E187-K190 PolarHBondContact O-N 3.46Å; K190-A193 WeakPolarHBondContact O-CB 3.37Å; K190-A193 PolarHBondContact O-N 3.4Å; K190-L194 WeakPolarHBondContact O-CG 3.47Å; K190-L194 PolarHBondContact O-N 3.16Å |
| 191 | E | 85 | Confident | 79.8 | Confident | 90 Ų | 90 | 105.7 Ų | 105.7 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 179.6 | -168.5 | 174.6 | 146.2 | 0 | 0 | 112.4 | E187 A193 L194 R195 | E187-E191 WeakPolarHBondContact O-CB 3.33Å; E187-E191 PolarHBondContact O-N 3.11Å; E191-A193 VanDerWaalsContact C-N 3.31Å; E191-A193 PolarHBondContact O-N 3.43Å; E191-L194 PolarHBondContact O-N 3.42Å; E191-R195 PolarHBondContact O-N 2.83Å; E191-R195 IonicContact OE1-CZ 2.68Å; E191-R195 VanDerWaalsContact OE1-CZ 3.26Å; E191-R195 IonicContact OE1-NH1 2.9Å; E191-R195 PolarHBondContact OE1-NH1 2.91Å; E191-R195 VanDerWaalsContact OE1-NH1 3.11Å; E191-R195 IonicContact OE1-NH2 3.92Å; E191-R195 PolarHBondContact OE1-NH2 3.29Å |
| 192 | R | 86 | Confident | 80.9 | Confident | 118 Ų | 118 | 104.6 Ų | 104.6 | 45% | 0.445 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 171.6 | -76 | 179.8 | -174.5 | 159.8 | 2 | 112.7 | L188 K189 K196 | L188-R192 WeakPolarHBondContact O-CG 3.37Å; L188-R192 PolarHBondContact O-N 3.07Å; K189-R192 PolarHBondContact O-N 3.44Å; R192-K196 WeakPolarHBondContact O-CG 3.11Å; R192-K196 PolarHBondContact O-N 2.66Å |
| 193 | A | 87.1 | Confident | 82 | Confident | 58 Ų | 58 | 105.5 Ų | 105.5 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K189 K190 E191 K196 E197 | K189-A193 PolarHBondContact O-N 3.31Å; K190-A193 WeakPolarHBondContact O-CB 3.37Å; K190-A193 PolarHBondContact O-N 3.4Å; E191-A193 VanDerWaalsContact C-N 3.31Å; E191-A193 PolarHBondContact O-N 3.43Å; A193-K196 WeakPolarHBondContact O-CB 3.29Å; A193-K196 PolarHBondContact O-N 3.03Å; A193-E197 PolarHBondContact O-N 3.46Å |
| 194 | L | 86.3 | Confident | 83.2 | Confident | 96 Ų | 96 | 103.4 Ų | 103.4 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 173.9 | -75.7 | 169.6 | 0 | 0 | 0 | 111.7 | K190 E191 K196 E197 E198 | K190-L194 WeakPolarHBondContact O-CG 3.47Å; K190-L194 PolarHBondContact O-N 3.16Å; E191-L194 PolarHBondContact O-N 3.42Å; L194-K196 VanDerWaalsContact C-N 3.29Å; L194-K196 PolarHBondContact O-N 3.39Å; L194-E197 CarbonylContact O-C 3.59Å; L194-E197 PolarHBondContact O-N 3Å; L194-E197 VanDerWaalsContact O-N 3.1Å; L194-E198 WeakPolarHBondContact O-CG 3.27Å; L194-E198 PolarHBondContact O-N 3.45Å |
| 195 | R | 90.1 | Very high | 84.7 | Confident | 144 Ų | 144 | 101.7 Ų | 101.7 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -35.3 | 175.1 | -73.1 | -145.7 | -174.7 | 80.9 | 7.3 | 113.1 | E191 A199 | E191-R195 PolarHBondContact O-N 2.83Å; E191-R195 IonicContact OE1-CZ 2.68Å; E191-R195 VanDerWaalsContact OE1-CZ 3.26Å; E191-R195 IonicContact OE1-NH1 2.9Å; E191-R195 PolarHBondContact OE1-NH1 2.91Å; E191-R195 VanDerWaalsContact OE1-NH1 3.11Å; E191-R195 IonicContact OE1-NH2 3.92Å; E191-R195 PolarHBondContact OE1-NH2 3.29Å; R195-A199 VanDerWaalsContact O-CB 3.29Å; R195-A199 WeakPolarHBondContact O-CB 3.44Å; R195-A199 PolarHBondContact O-N 2.85Å |
| 196 | K | 93.1 | Very high | 86.2 | Confident | 158 Ų | 158 | 102.3 Ų | 102.3 | 69% | 0.687 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.8 | -41 | 173.3 | -82.4 | -174.8 | 176 | -172.9 | 0 | 111.7 | R192 A193 L194 A199 T200 | R192-K196 WeakPolarHBondContact O-CG 3.11Å; R192-K196 PolarHBondContact O-N 2.66Å; A193-K196 WeakPolarHBondContact O-CB 3.29Å; A193-K196 PolarHBondContact O-N 3.03Å; L194-K196 VanDerWaalsContact C-N 3.29Å; L194-K196 PolarHBondContact O-N 3.39Å; K196-A199 PolarHBondContact O-N 3.42Å; K196-T200 WeakPolarHBondContact O-CG2 3.24Å; K196-T200 PolarHBondContact O-N 3.39Å; K196-T200 PolarHBondContact O-OG1 3.1Å |
| 197 | E | 87.8 | Confident | 87.4 | Confident | 92 Ų | 92 | 102 Ų | 102 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.4 | -37.8 | 176.8 | -164.4 | -168.1 | 149.1 | 0 | 0 | 112.3 | A193 L194 T200 K201 | A193-E197 PolarHBondContact O-N 3.46Å; L194-E197 CarbonylContact O-C 3.59Å; L194-E197 PolarHBondContact O-N 3Å; L194-E197 VanDerWaalsContact O-N 3.1Å; E197-T200 WeakPolarHBondContact CA-OG1 3.37Å; E197-T200 PolarHBondContact O-N 2.71Å; E197-T200 PolarHBondContact O-OG1 3.17Å; E197-K201 WeakPolarHBondContact O-CB 3.39Å; E197-K201 VanDerWaalsContact O-CG 3.3Å; E197-K201 WeakPolarHBondContact O-CG 3.4Å; E197-K201 PolarHBondContact O-N 2.73Å; E197-K201 WeakPolarHBondContact OE1-CE 3.29Å; E197-K201 IonicContact OE1-NZ 3.95Å; E197-K201 PolarHBondContact OE1-NZ 2.6Å |
| 198 | E | 87.8 | Confident | 88.6 | Confident | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 172.3 | -74.5 | 175.3 | 166.9 | 0 | 0 | 111.2 | L194 T200 K201 L202 | L194-E198 WeakPolarHBondContact O-CG 3.27Å; L194-E198 PolarHBondContact O-N 3.45Å; E198-T200 PolarHBondContact O-N 2.84Å; E198-K201 PolarHBondContact O-N 3.5Å; E198-L202 WeakPolarHBondContact O-CB 3.15Å; E198-L202 WeakPolarHBondContact O-CG 3.49Å; E198-L202 PolarHBondContact O-N 3.41Å |
| 199 | A | 93.3 | Very high | 89.5 | Confident | 51 Ų | 51 | 101.4 Ų | 101.4 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R195 K196 L202 L203 | R195-A199 VanDerWaalsContact O-CB 3.29Å; R195-A199 WeakPolarHBondContact O-CB 3.44Å; R195-A199 PolarHBondContact O-N 2.85Å; K196-A199 PolarHBondContact O-N 3.42Å; A199-L202 PolarHBondContact O-N 2.82Å; A199-L203 PolarHBondContact O-N 3.33Å |
| 200 | T | 91.2 | Very high | 90.3 | Very high | 78 Ų | 78 | 100.1 Ų | 100.1 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -38 | 175.5 | 55 | 0 | 0 | 0 | 0 | 112 | K196 E197 E198 L203 M204 | K196-T200 WeakPolarHBondContact O-CG2 3.24Å; K196-T200 PolarHBondContact O-N 3.39Å; K196-T200 PolarHBondContact O-OG1 3.1Å; E197-T200 WeakPolarHBondContact CA-OG1 3.37Å; E197-T200 PolarHBondContact O-N 2.71Å; E197-T200 PolarHBondContact O-OG1 3.17Å; E198-T200 PolarHBondContact O-N 2.84Å; T200-L203 PolarHBondContact O-N 2.88Å; T200-M204 WeakPolarHBondContact O-CG 3.38Å; T200-M204 PolarHBondContact O-N 3.35Å |
| 201 | K | 93.1 | Very high | 90.8 | Very high | 99 Ų | 99 | 98.4 Ų | 98.4 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 172.6 | -74.5 | 171.5 | -174.5 | 167.8 | 0 | 111.9 | E197 E198 M204 L205 | E197-K201 WeakPolarHBondContact O-CB 3.39Å; E197-K201 VanDerWaalsContact O-CG 3.3Å; E197-K201 WeakPolarHBondContact O-CG 3.4Å; E197-K201 PolarHBondContact O-N 2.73Å; E197-K201 WeakPolarHBondContact OE1-CE 3.29Å; E197-K201 IonicContact OE1-NZ 3.95Å; E197-K201 PolarHBondContact OE1-NZ 2.6Å; E198-K201 PolarHBondContact O-N 3.5Å; K201-M204 PolarHBondContact O-N 2.8Å; K201-L205 WeakPolarHBondContact O-CG 3.38Å; K201-L205 PolarHBondContact O-N 2.86Å |
| 202 | L | 91.6 | Very high | 91.1 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 176.3 | -74.3 | 171.8 | 0 | 0 | 0 | 112.1 | E198 A199 L205 Q206 | E198-L202 WeakPolarHBondContact O-CB 3.15Å; E198-L202 WeakPolarHBondContact O-CG 3.49Å; E198-L202 PolarHBondContact O-N 3.41Å; A199-L202 PolarHBondContact O-N 2.82Å; L202-L205 PolarHBondContact O-N 3.32Å; L202-Q206 WeakPolarHBondContact O-CB 3.41Å; L202-Q206 PolarHBondContact O-N 2.84Å |
| 203 | L | 94.3 | Very high | 91.4 | Very high | 97 Ų | 97 | 94.6 Ų | 94.6 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 173.7 | -97.9 | 158.6 | 0 | 0 | 0 | 112.1 | A199 T200 L205 Q206 D207 | A199-L203 PolarHBondContact O-N 3.33Å; T200-L203 PolarHBondContact O-N 2.88Å; L203-L205 VanDerWaalsContact C-N 3.33Å; L203-L205 PolarHBondContact O-N 2.81Å; L203-Q206 WeakPolarHBondContact O-CB 3.09Å; L203-Q206 PolarHBondContact O-N 3.43Å; L203-D207 PolarHBondContact O-N 2.81Å |
| 204 | M | 92.6 | Very high | 91.7 | Very high | 116 Ų | 116 | 96 Ų | 96 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 176.5 | -71 | -162.1 | -56.4 | 0 | 0 | 112.5 | T200 K201 D207 Q208 | T200-M204 WeakPolarHBondContact O-CG 3.38Å; T200-M204 PolarHBondContact O-N 3.35Å; K201-M204 PolarHBondContact O-N 2.8Å; M204-D207 PolarHBondContact O-N 3.28Å; M204-Q208 WeakPolarHBondContact O-CG 3.26Å; M204-Q208 PolarHBondContact O-N 3.44Å |
| 205 | L | 91.5 | Very high | 91.8 | Very high | 88 Ų | 88 | 95.5 Ų | 95.5 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 175.8 | -75.1 | 171.5 | 0 | 0 | 0 | 112 | K201 L202 L203 Q208 L209 | K201-L205 WeakPolarHBondContact O-CG 3.38Å; K201-L205 PolarHBondContact O-N 2.86Å; L202-L205 PolarHBondContact O-N 3.32Å; L203-L205 VanDerWaalsContact C-N 3.33Å; L203-L205 PolarHBondContact O-N 2.81Å; L205-Q208 PolarHBondContact O-N 3.18Å; L205-L209 WeakPolarHBondContact O-CB 3.33Å; L205-L209 PolarHBondContact O-N 3.25Å |
| 206 | Q | 93 | Very high | 91.7 | Very high | 51 Ų | 51 | 91.5 Ų | 91.5 | 24% | 0.238 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.2 | -170.5 | -178.7 | 7.3 | 0 | 0 | 111.3 | L202 L203 L209 K210 | L202-Q206 WeakPolarHBondContact O-CB 3.41Å; L202-Q206 PolarHBondContact O-N 2.84Å; L203-Q206 WeakPolarHBondContact O-CB 3.09Å; L203-Q206 PolarHBondContact O-N 3.43Å; Q206-L209 PolarHBondContact O-N 2.95Å; Q206-K210 WeakPolarHBondContact O-CG 3.45Å; Q206-K210 PolarHBondContact O-N 3.31Å |
| 207 | D | 93.8 | Very high | 91.6 | Very high | 82 Ų | 82 | 89 Ų | 89 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 176.9 | -75.2 | -16.9 | 0 | 0 | 0 | 112.3 | L203 M204 L209 K210 M211 | L203-D207 PolarHBondContact O-N 2.81Å; M204-D207 PolarHBondContact O-N 3.28Å; D207-L209 VanDerWaalsContact C-N 3.32Å; D207-L209 PolarHBondContact O-N 2.89Å; D207-K210 PolarHBondContact O-N 3.28Å; D207-K210 IonicContact OD1-NZ 3.8Å; D207-M211 WeakPolarHBondContact O-CG 3.43Å; D207-M211 PolarHBondContact O-N 3.43Å |
| 208 | Q | 91.3 | Very high | 91.7 | Very high | 100 Ų | 100 | 91.2 Ų | 91.2 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 171.2 | -76.3 | -178.8 | 20.8 | 0 | 0 | 111.9 | M204 L205 M211 A212 | M204-Q208 WeakPolarHBondContact O-CG 3.26Å; M204-Q208 PolarHBondContact O-N 3.44Å; L205-Q208 PolarHBondContact O-N 3.18Å; Q208-M211 PolarHBondContact O-N 2.91Å; Q208-A212 WeakPolarHBondContact O-CB 3.39Å; Q208-A212 PolarHBondContact O-N 2.84Å |
| 209 | L | 92.9 | Very high | 91.6 | Very high | 114 Ų | 114 | 92 Ų | 92 | 60% | 0.597 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 177.7 | -176.9 | 64.6 | 0 | 0 | 0 | 111.5 | L205 Q206 D207 M211 A212 V213 | L205-L209 WeakPolarHBondContact O-CB 3.33Å; L205-L209 PolarHBondContact O-N 3.25Å; Q206-L209 PolarHBondContact O-N 2.95Å; D207-L209 VanDerWaalsContact C-N 3.32Å; D207-L209 PolarHBondContact O-N 2.89Å; L209-M211 VanDerWaalsContact C-N 3.34Å; L209-M211 PolarHBondContact O-N 3.44Å; L209-A212 PolarHBondContact O-N 2.9Å; L209-V213 WeakPolarHBondContact O-CG2 3.49Å; L209-V213 PolarHBondContact O-N 2.88Å |
| 210 | K | 94.8 | Very high | 91.4 | Very high | 95 Ų | 95 | 92.8 Ų | 92.8 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 174.5 | -75.6 | 174.9 | -176.7 | 168.3 | 0 | 111.7 | Q206 D207 A212 V213 L214 | Q206-K210 WeakPolarHBondContact O-CG 3.45Å; Q206-K210 PolarHBondContact O-N 3.31Å; D207-K210 PolarHBondContact O-N 3.28Å; D207-K210 IonicContact OD1-NZ 3.8Å; K210-A212 PolarHBondContact O-N 3.38Å; K210-V213 PolarHBondContact O-N 2.83Å; K210-L214 WeakPolarHBondContact O-CG 3.21Å; K210-L214 PolarHBondContact O-N 3.28Å |
| 211 | M | 89.8 | Confident | 91.2 | Very high | 116 Ų | 116 | 91.6 Ų | 91.6 | 57% | 0.571 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | 177.2 | -70.4 | -59.7 | -70.3 | 0 | 0 | 112.5 | D207 Q208 L209 L214 N215 | D207-M211 WeakPolarHBondContact O-CG 3.43Å; D207-M211 PolarHBondContact O-N 3.43Å; Q208-M211 PolarHBondContact O-N 2.91Å; L209-M211 VanDerWaalsContact C-N 3.34Å; L209-M211 PolarHBondContact O-N 3.44Å; M211-L214 PolarHBondContact O-N 2.87Å; M211-L214 HydrophobicContact SD-CD1 4.38Å; M211-N215 PolarHBondContact O-N 3.33Å |
| 212 | A | 90.9 | Very high | 91.1 | Very high | 56 Ų | 56 | 90.5 Ų | 90.5 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q208 L209 K210 N215 S216 | Q208-A212 WeakPolarHBondContact O-CB 3.39Å; Q208-A212 PolarHBondContact O-N 2.84Å; L209-A212 PolarHBondContact O-N 2.9Å; K210-A212 PolarHBondContact O-N 3.38Å; A212-N215 PolarHBondContact O-N 3.48Å; A212-S216 WeakPolarHBondContact O-CB 3.3Å; A212-S216 PolarHBondContact O-N 3.23Å |
| 213 | V | 93.5 | Very high | 90.8 | Very high | 72 Ų | 72 | 89.3 Ų | 89.3 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L209 K210 N215 S216 Q217 | L209-V213 WeakPolarHBondContact O-CG2 3.49Å; L209-V213 PolarHBondContact O-N 2.88Å; K210-V213 PolarHBondContact O-N 2.83Å; V213-N215 PolarHBondContact O-N 3.44Å; V213-S216 PolarHBondContact O-N 3.04Å; V213-Q217 WeakPolarHBondContact O-CG 3.26Å; V213-Q217 PolarHBondContact O-N 3.07Å |
| 214 | L | 92.2 | Very high | 90.4 | Very high | 87 Ų | 87 | 90.6 Ų | 90.6 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 175.6 | -77.9 | 171.9 | 0 | 0 | 0 | 112.3 | K210 M211 Q217 K218 | K210-L214 WeakPolarHBondContact O-CG 3.21Å; K210-L214 PolarHBondContact O-N 3.28Å; M211-L214 PolarHBondContact O-N 2.87Å; M211-L214 HydrophobicContact SD-CD1 4.38Å; L214-Q217 PolarHBondContact O-N 3.36Å; L214-K218 WeakPolarHBondContact O-CG 3.42Å; L214-K218 PolarHBondContact O-N 2.87Å |
| 215 | N | 88.7 | Confident | 90.1 | Very high | 85 Ų | 85 | 90.9 Ų | 90.9 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 176 | -91.2 | -6.2 | 0 | 0 | 0 | 112.4 | M211 A212 V213 K218 Q219 | M211-N215 PolarHBondContact O-N 3.33Å; A212-N215 PolarHBondContact O-N 3.48Å; V213-N215 PolarHBondContact O-N 3.44Å; N215-K218 PolarHBondContact O-N 3.24Å; N215-Q219 WeakPolarHBondContact O-CG 3.2Å; N215-Q219 PolarHBondContact O-N 2.92Å |
| 216 | S | 88 | Confident | 89.3 | Confident | 61 Ų | 61 | 92 Ų | 92 | 43% | 0.427 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 174.7 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | A212 V213 K218 Q219 T220 | A212-S216 WeakPolarHBondContact O-CB 3.3Å; A212-S216 PolarHBondContact O-N 3.23Å; V213-S216 PolarHBondContact O-N 3.04Å; S216-K218 VanDerWaalsContact C-N 3.33Å; S216-K218 PolarHBondContact O-N 3.25Å; S216-Q219 PolarHBondContact O-N 2.89Å; S216-T220 PolarHBondContact O-N 3.49Å; S216-T220 PolarHBondContact O-OG1 2.8Å |
| 217 | Q | 90.8 | Very high | 88.8 | Confident | 106 Ų | 106 | 93.9 Ų | 93.9 | 50% | 0.495 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 175.7 | -74.4 | 178.8 | 16.3 | 0 | 0 | 112.4 | V213 L214 T220 A221 | V213-Q217 WeakPolarHBondContact O-CG 3.26Å; V213-Q217 PolarHBondContact O-N 3.07Å; L214-Q217 PolarHBondContact O-N 3.36Å; Q217-T220 PolarHBondContact O-N 3.39Å; Q217-A221 WeakPolarHBondContact O-CB 3.37Å; Q217-A221 PolarHBondContact O-N 3.46Å |
| 218 | K | 91.3 | Very high | 87.9 | Confident | 137 Ų | 137 | 92.7 Ų | 92.7 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | 174.1 | -72.3 | 174.2 | -177.2 | 178.4 | 0 | 111.8 | L214 N215 S216 A221 V222 | L214-K218 WeakPolarHBondContact O-CG 3.42Å; L214-K218 PolarHBondContact O-N 2.87Å; N215-K218 PolarHBondContact O-N 3.24Å; S216-K218 VanDerWaalsContact C-N 3.33Å; S216-K218 PolarHBondContact O-N 3.25Å; K218-A221 PolarHBondContact O-N 3.46Å; K218-V222 WeakPolarHBondContact O-CG2 3.47Å; K218-V222 PolarHBondContact O-N 3.45Å |
| 219 | Q | 85.7 | Confident | 87 | Confident | 128 Ų | 128 | 93.3 Ų | 93.3 | 60% | 0.598 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -44.6 | 177.1 | -71.3 | 175.8 | -7.9 | 0 | 0 | 111.5 | N215 S216 A221 V222 I223 | N215-Q219 WeakPolarHBondContact O-CG 3.2Å; N215-Q219 PolarHBondContact O-N 2.92Å; S216-Q219 PolarHBondContact O-N 2.89Å; Q219-A221 PolarHBondContact O-N 2.87Å; Q219-V222 PolarHBondContact O-N 2.84Å; Q219-I223 VanDerWaalsContact O-CG1 3.29Å; Q219-I223 WeakPolarHBondContact O-CG1 3.27Å; Q219-I223 PolarHBondContact O-N 3.3Å |
| 220 | T | 87.5 | Confident | 85.7 | Confident | 67 Ų | 67 | 92.6 Ų | 92.6 | 41% | 0.411 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.9 | -47.1 | 0 | 0 | 0 | 0 | 111.7 | S216 Q217 V222 I223 E224 | S216-T220 PolarHBondContact O-N 3.49Å; S216-T220 PolarHBondContact O-OG1 2.8Å; Q217-T220 PolarHBondContact O-N 3.39Å; T220-V222 VanDerWaalsContact C-N 3.34Å; T220-V222 PolarHBondContact O-N 3.48Å; T220-I223 PolarHBondContact O-N 3.33Å; T220-E224 WeakPolarHBondContact O-CG 3.3Å; T220-E224 PolarHBondContact O-N 2.95Å |
| 221 | A | 88.6 | Confident | 84.4 | Confident | 53 Ų | 53 | 96.8 Ų | 96.8 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q217 K218 Q219 E224 Q225 | Q217-A221 WeakPolarHBondContact O-CB 3.37Å; Q217-A221 PolarHBondContact O-N 3.46Å; K218-A221 PolarHBondContact O-N 3.46Å; Q219-A221 PolarHBondContact O-N 2.87Å; A221-E224 PolarHBondContact O-N 3.48Å; A221-Q225 WeakPolarHBondContact O-CB 3.34Å; A221-Q225 PolarHBondContact O-N 3.27Å |
| 222 | V | 90.2 | Very high | 83.2 | Confident | 76 Ų | 76 | 99.3 Ų | 99.3 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 174 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | K218 Q219 T220 Q225 M226 | K218-V222 WeakPolarHBondContact O-CG2 3.47Å; K218-V222 PolarHBondContact O-N 3.45Å; Q219-V222 PolarHBondContact O-N 2.84Å; T220-V222 VanDerWaalsContact C-N 3.34Å; T220-V222 PolarHBondContact O-N 3.48Å; V222-Q225 PolarHBondContact O-N 2.82Å; V222-M226 HydrophobicContact CG1-SD 4.35Å; V222-M226 WeakPolarHBondContact O-CG 3.3Å; V222-M226 PolarHBondContact O-N 3.35Å |
| 223 | I | 85.1 | Confident | 81.5 | Confident | 89 Ų | 89 | 103.2 Ų | 103.2 | 46% | 0.456 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.7 | -67.8 | 165.3 | 0 | 0 | 0 | 110.7 | Q219 T220 Q225 M226 Q227 | Q219-I223 VanDerWaalsContact O-CG1 3.29Å; Q219-I223 WeakPolarHBondContact O-CG1 3.27Å; Q219-I223 PolarHBondContact O-N 3.3Å; T220-I223 PolarHBondContact O-N 3.33Å; I223-Q225 VanDerWaalsContact C-N 3.35Å; I223-Q225 PolarHBondContact O-N 2.9Å; I223-M226 PolarHBondContact O-N 2.93Å; I223-Q227 HydrophobicContact CG2-CG 4.33Å; I223-Q227 WeakPolarHBondContact O-CB 3.48Å; I223-Q227 VanDerWaalsContact O-CG 3.28Å; I223-Q227 WeakPolarHBondContact O-CG 3.47Å; I223-Q227 PolarHBondContact O-N 2.62Å |
| 224 | E | 85.9 | Confident | 79.5 | Confident | 123 Ų | 123 | 103.8 Ų | 103.8 | 58% | 0.575 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.5 | -40.2 | 176.3 | -78.1 | -178.3 | 170 | 0 | 0 | 112 | T220 A221 Q227 A228 | T220-E224 WeakPolarHBondContact O-CG 3.3Å; T220-E224 PolarHBondContact O-N 2.95Å; A221-E224 PolarHBondContact O-N 3.48Å; E224-Q227 PolarHBondContact O-N 3Å; E224-A228 VanDerWaalsContact O-CB 3.29Å; E224-A228 WeakPolarHBondContact O-CB 3.26Å; E224-A228 PolarHBondContact O-N 2.97Å |
| 225 | Q | 85.6 | Confident | 77.4 | Confident | 123 Ų | 123 | 102.5 Ų | 102.5 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.1 | -45.2 | 175.1 | -173.8 | -179.7 | 13.2 | 0 | 0 | 111.5 | A221 V222 I223 A228 Q229 | A221-Q225 WeakPolarHBondContact O-CB 3.34Å; A221-Q225 PolarHBondContact O-N 3.27Å; V222-Q225 PolarHBondContact O-N 2.82Å; I223-Q225 VanDerWaalsContact C-N 3.35Å; I223-Q225 PolarHBondContact O-N 2.9Å; Q225-A228 PolarHBondContact O-N 2.79Å; Q225-Q229 WeakPolarHBondContact O-CG 3.48Å; Q225-Q229 PolarHBondContact O-N 3.21Å |
| 226 | M | 76.7 | Confident | 75 | Confident | 111 Ų | 111 | 105.3 Ų | 105.3 | 55% | 0.547 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 175.9 | -70.7 | -177.9 | 70.5 | 0 | 0 | 111.6 | V222 I223 A228 Q229 L230 | V222-M226 HydrophobicContact CG1-SD 4.35Å; V222-M226 WeakPolarHBondContact O-CG 3.3Å; V222-M226 PolarHBondContact O-N 3.35Å; I223-M226 PolarHBondContact O-N 2.93Å; M226-A228 VanDerWaalsContact C-N 3.34Å; M226-A228 PolarHBondContact O-N 2.93Å; M226-Q229 PolarHBondContact O-N 3.44Å; M226-L230 WeakPolarHBondContact O-CG 3.16Å; M226-L230 PolarHBondContact O-N 2.88Å |
| 227 | Q | 80.9 | Confident | 72.8 | Confident | 91 Ų | 91 | 107.6 Ų | 107.6 | 43% | 0.425 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.2 | -36.8 | 175.4 | -73.8 | 178.4 | 1.5 | 0 | 0 | 112.1 | I223 E224 L230 R231 | I223-Q227 HydrophobicContact CG2-CG 4.33Å; I223-Q227 WeakPolarHBondContact O-CB 3.48Å; I223-Q227 VanDerWaalsContact O-CG 3.28Å; I223-Q227 WeakPolarHBondContact O-CG 3.47Å; I223-Q227 PolarHBondContact O-N 2.62Å; E224-Q227 PolarHBondContact O-N 3Å; Q227-L230 PolarHBondContact O-N 3.39Å; Q227-R231 WeakPolarHBondContact O-CB 3.4Å; Q227-R231 VanDerWaalsContact O-CG 3.28Å; Q227-R231 WeakPolarHBondContact O-CG 3.4Å; Q227-R231 PolarHBondContact O-N 2.93Å |
| 228 | A | 75.7 | Confident | 70.2 | Confident | 56 Ų | 56 | 112.5 Ų | 112.5 | 46% | 0.463 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.8 | -40 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E224 Q225 M226 R231 F232 | E224-A228 VanDerWaalsContact O-CB 3.29Å; E224-A228 WeakPolarHBondContact O-CB 3.26Å; E224-A228 PolarHBondContact O-N 2.97Å; Q225-A228 PolarHBondContact O-N 2.79Å; M226-A228 VanDerWaalsContact C-N 3.34Å; M226-A228 PolarHBondContact O-N 2.93Å; A228-R231 PolarHBondContact O-N 3.2Å; A228-F232 WeakPolarHBondContact O-CB 3.27Å; A228-F232 PolarHBondContact O-N 3.48Å |
| 229 | Q | 72.4 | Confident | 67.5 | Low | 113 Ų | 113 | 112 Ų | 112 | 53% | 0.528 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.5 | -43.6 | 172.2 | -76.4 | 179.7 | -26.9 | 0 | 0 | 111.7 | Q225 M226 F232 Q233 | Q225-Q229 WeakPolarHBondContact O-CG 3.48Å; Q225-Q229 PolarHBondContact O-N 3.21Å; M226-Q229 PolarHBondContact O-N 3.44Å; Q229-F232 PolarHBondContact O-N 2.89Å; Q229-Q233 WeakPolarHBondContact O-CG 3.24Å; Q229-Q233 PolarHBondContact O-N 2.98Å |
| 230 | L | 65.1 | Low | 64.9 | Low | 100 Ų | 100 | 113.3 Ų | 113.3 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.9 | -41.4 | 174.7 | -71 | 170.3 | 0 | 0 | 0 | 112 | M226 Q227 F232 Q233 C234 | M226-L230 WeakPolarHBondContact O-CG 3.16Å; M226-L230 PolarHBondContact O-N 2.88Å; Q227-L230 PolarHBondContact O-N 3.39Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 2.74Å; L230-Q233 PolarHBondContact O-N 3.31Å; L230-C234 WeakPolarHBondContact O-CB 3.36Å; L230-C234 PolarHBondContact O-N 2.9Å; L230-C234 PolarHBondContact O-SG 3.44Å |
| 231 | R | 68.1 | Low | 62.1 | Low | 183 Ų | 183 | 115.8 Ų | 115.8 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.5 | -34.5 | 175.1 | -75.8 | 178.6 | -172.6 | 179.3 | 5.3 | 112.3 | Q227 A228 G235 | Q227-R231 WeakPolarHBondContact O-CB 3.4Å; Q227-R231 VanDerWaalsContact O-CG 3.28Å; Q227-R231 WeakPolarHBondContact O-CG 3.4Å; Q227-R231 PolarHBondContact O-N 2.93Å; A228-R231 PolarHBondContact O-N 3.2Å; R231-G235 WeakPolarHBondContact O-CA 3.48Å; R231-G235 PolarHBondContact O-N 3.44Å |
| 232 | F | 63.6 | Low | 59.4 | Low | 169 Ų | 169 | 123.4 Ų | 123.4 | 74% | 0.741 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.7 | -38.8 | 174.6 | -169.5 | -94.5 | 0 | 0 | 0 | 111.1 | A228 Q229 L230 | A228-F232 WeakPolarHBondContact O-CB 3.27Å; A228-F232 PolarHBondContact O-N 3.48Å; Q229-F232 PolarHBondContact O-N 2.89Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 2.74Å |
| 233 | Q | 56.2 | Low | 56.8 | Low | 137 Ų | 137 | 127 Ų | 127 | 64% | 0.64 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.5 | -44.6 | 172.8 | -71 | 174.2 | 27.8 | 0 | 0 | 111.8 | Q229 L230 | Q229-Q233 WeakPolarHBondContact O-CG 3.24Å; Q229-Q233 PolarHBondContact O-N 2.98Å; L230-Q233 PolarHBondContact O-N 3.31Å |
| 234 | C | 52.3 | Low | 54.3 | Low | 85 Ų | 85 | 126 Ų | 126 | 57% | 0.574 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.5 | -34.5 | 178.3 | -64.8 | 0 | 0 | 0 | 0 | 113 | L230 N236 T237 | L230-C234 WeakPolarHBondContact O-CB 3.36Å; L230-C234 PolarHBondContact O-N 2.9Å; L230-C234 PolarHBondContact O-SG 3.44Å; C234-N236 PolarHBondContact O-N 3.12Å; C234-T237 PolarHBondContact O-N 2.94Å; C234-T237 PolarHBondContact O-OG1 3.29Å |
| 235 | G | 47.4 | Very low | 51.9 | Low | 60 Ų | 60 | 129.3 Ų | 129.3 | 62% | 0.619 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.8 | -14.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R231 T237 | R231-G235 WeakPolarHBondContact O-CA 3.48Å; R231-G235 PolarHBondContact O-N 3.44Å; G235-T237 PolarHBondContact O-N 3.22Å |
| 236 | N | 38.8 | Very low | 49.8 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -4.5 | 170.1 | -135.8 | 31.2 | 0 | 0 | 0 | 113.1 | C234 R238 | C234-N236 PolarHBondContact O-N 3.12Å; N236-R238 PolarHBondContact O-N 3.47Å |
| 237 | T | 39.9 | Very low | 48.1 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | trans | -91.3 | 80.6 | 166.5 | 57.2 | 0 | 0 | 0 | 0 | 109.6 | C234 G235 | C234-T237 PolarHBondContact O-N 2.94Å; C234-T237 PolarHBondContact O-OG1 3.29Å; G235-T237 PolarHBondContact O-N 3.22Å | ||
| 238 | R | 36.1 | Very low | 46.5 | Very low | 209 Ų | 209 | 134.4 Ų | 134.4 | 79% | 0.789 | 72% | 0.718 | S | S | * | * | trans | -64.2 | 128.1 | 167 | -133 | 175.5 | -172.5 | -175.1 | 1.8 | 107.3 | N236 M240 | N236-R238 PolarHBondContact O-N 3.47Å; R238-M240 PolarHBondContact O-N 2.91Å | ||
| 239 | P | 36.5 | Very low | 45.4 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | trans | -72.4 | 79.4 | -179 | 28.3 | -32.6 | 0 | 0 | 0 | 109.2 | ||||
| 240 | M | 29.7 | Very low | 44.6 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | -91.3 | 108.7 | 175.3 | -88.8 | -65 | 165.5 | 0 | 0 | 109.3 | R238 | R238-M240 PolarHBondContact O-N 2.91Š| ||
| 241 | C | 29.7 | Very low | 44.9 | Very low | 119 Ų | 119 | 136 Ų | 136 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -47.8 | 132.9 | 168.1 | -166.3 | 0 | 0 | 0 | 0 | 110.5 | V243 | C241-V243 PolarHBondContact O-N 3.36Š| ||
| 242 | Y | 31.3 | Very low | 44.7 | Very low | 213 Ų | 213 | 132.9 Ų | 132.9 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | trans | -45.5 | 116.6 | 177.4 | -86.3 | -105.6 | 0 | 0 | 0 | 113.2 | ||||
| 243 | V | 34.8 | Very low | 44.8 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 92% | 0.915 | 72% | 0.723 | S | S | * | * | trans | -148.4 | 112 | 138.9 | -171 | 0 | 0 | 0 | 0 | 107.6 | C241 | C241-V243 PolarHBondContact O-N 3.36Š| ||
| 244 | G | 33.6 | Very low | 45.8 | Very low | 67 Ų | 67 | 131.1 Ų | 131.1 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 106.6 | 97.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 245 | E | 35.8 | Very low | 47.1 | Very low | 193 Ų | 193 | 130.3 Ų | 130.3 | 90% | 0.902 | 71% | 0.711 | S | S | * | * | trans | 32.4 | 87.9 | 141.8 | -66 | 176.7 | 160 | 0 | 0 | 118.6 | ||||
| 246 | E | 42.1 | Very low | 48.6 | Very low | 191 Ų | 191 | 131.7 Ų | 131.7 | 89% | 0.893 | 71% | 0.707 | S | S | * | * | trans | -166 | 71.9 | 140.1 | -104.6 | 168.8 | -150.8 | 0 | 0 | 106.5 | I248 | E246-I248 PolarHBondContact O-N 2.9Å; E246-I248 VanDerWaalsContact O-N 3.16Å | ||
| 247 | S | 40.9 | Very low | 50.6 | Low | 109 Ų | 109 | 126.4 Ų | 126.4 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 117.3 | 176 | -82.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 248 | I | 47.4 | Very low | 52.9 | Low | 133 Ų | 133 | 126.3 Ų | 126.3 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 123.2 | 164.1 | -61.5 | 163.8 | 0 | 0 | 0 | 106.8 | E246 A250 E252 | E246-I248 PolarHBondContact O-N 2.9Å; E246-I248 VanDerWaalsContact O-N 3.16Å; I248-A250 PolarHBondContact O-N 2.82Å; I248-E252 HydrophobicContact CG2-CB 4.45Å |
| 249 | P | 51.8 | Low | 55.5 | Low | 71 Ų | 71 | 121.2 Ų | 121.2 | 46% | 0.461 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 130.3 | -171.9 | -26.8 | 34.2 | 0 | 0 | 0 | 110.2 | E251 E252 | P249-E251 PolarHBondContact O-N 3.29Å; P249-E252 PolarHBondContact O-N 3.17Å |
| 250 | A | 56.4 | Low | 57.8 | Low | 80 Ų | 80 | 122.5 Ų | 122.5 | 66% | 0.661 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -52 | -22.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I248 Q254 | I248-A250 PolarHBondContact O-N 2.82Å; A250-Q254 WeakPolarHBondContact O-CB 3.38Å; A250-Q254 PolarHBondContact O-N 2.87Å |
| 251 | E | 69.6 | Low | 60.5 | Low | 152 Ų | 152 | 118.1 Ų | 118.1 | 71% | 0.71 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -59.8 | -45.5 | 171.8 | -89.6 | 178.8 | 151.9 | 0 | 0 | 114.1 | P249 F253 Q254 T255 | P249-E251 PolarHBondContact O-N 3.29Å; E251-F253 PolarHBondContact O-N 3.3Å; E251-Q254 CarbonylContact O-C 3.58Å; E251-Q254 WeakPolarHBondContact O-CB 3.26Å; E251-Q254 PolarHBondContact O-N 3.42Å; E251-Q254 VanDerWaalsContact O-N 3.13Å; E251-T255 WeakPolarHBondContact O-CG2 3.36Å; E251-T255 PolarHBondContact O-N 2.83Å |
| 252 | E | 65.8 | Low | 63.6 | Low | 116 Ų | 116 | 116.8 Ų | 116.8 | 54% | 0.542 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.4 | -36.1 | -175.6 | -73.4 | -175.4 | 172 | 0 | 0 | 112.3 | I248 P249 Q254 T255 V256 | I248-E252 HydrophobicContact CG2-CB 4.45Å; P249-E252 PolarHBondContact O-N 3.17Å; E252-Q254 PolarHBondContact O-N 3.32Å; E252-T255 WeakPolarHBondContact CA-OG1 3.35Å; E252-T255 PolarHBondContact O-N 2.93Å; E252-T255 PolarHBondContact O-OG1 3.08Å; E252-V256 WeakPolarHBondContact O-CG2 3.42Å; E252-V256 PolarHBondContact O-N 3.2Å |
| 253 | F | 64.7 | Low | 66.4 | Low | 153 Ų | 153 | 114.4 Ų | 114.4 | 67% | 0.671 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.4 | -35.3 | 172.5 | -176.1 | -100.4 | 0 | 0 | 0 | 111.2 | E251 C257 | E251-F253 PolarHBondContact O-N 3.3Å; F253-C257 PolarHBondContact O-N 3.26Å; F253-C257 VanDerWaalsContact O-N 3.15Å; F253-C257 PolarHBondContact O-SG 2.99Å |
| 254 | Q | 77.3 | Confident | 69 | Low | 116 Ų | 116 | 115.9 Ų | 115.9 | 54% | 0.542 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71.9 | -36 | 179.2 | -169 | 156.1 | 3.1 | 0 | 0 | 112.2 | A250 E251 E252 C257 Q258 | A250-Q254 WeakPolarHBondContact O-CB 3.38Å; A250-Q254 PolarHBondContact O-N 2.87Å; E251-Q254 CarbonylContact O-C 3.58Å; E251-Q254 WeakPolarHBondContact O-CB 3.26Å; E251-Q254 PolarHBondContact O-N 3.42Å; E251-Q254 VanDerWaalsContact O-N 3.13Å; E252-Q254 PolarHBondContact O-N 3.32Å; Q254-C257 PolarHBondContact O-N 3.46Å; Q254-Q258 VanDerWaalsContact O-CG 3.27Å; Q254-Q258 WeakPolarHBondContact O-CG 3.3Å; Q254-Q258 PolarHBondContact O-N 2.91Å |
| 255 | T | 80.4 | Confident | 71.8 | Confident | 68 Ų | 68 | 120.1 Ų | 120.1 | 42% | 0.417 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65 | -45.2 | 174.3 | 55.6 | 0 | 0 | 0 | 0 | 111.7 | E251 E252 C257 Q258 E259 | E251-T255 WeakPolarHBondContact O-CG2 3.36Å; E251-T255 PolarHBondContact O-N 2.83Å; E252-T255 WeakPolarHBondContact CA-OG1 3.35Å; E252-T255 PolarHBondContact O-N 2.93Å; E252-T255 PolarHBondContact O-OG1 3.08Å; T255-C257 VanDerWaalsContact C-N 3.3Å; T255-C257 PolarHBondContact O-N 2.89Å; T255-Q258 WeakPolarHBondContact O-CB 3.44Å; T255-Q258 PolarHBondContact O-N 3.44Å; T255-Q258 VanDerWaalsContact O-N 3.08Å; T255-E259 PolarHBondContact O-N 3.5Å |
| 256 | V | 78.2 | Confident | 74.6 | Confident | 89 Ų | 89 | 115.3 Ų | 115.3 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.1 | -38.8 | 177.6 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | E252 E259 R260 | E252-V256 WeakPolarHBondContact O-CG2 3.42Å; E252-V256 PolarHBondContact O-N 3.2Å; V256-E259 PolarHBondContact O-N 3.05Å; V256-R260 WeakPolarHBondContact O-CB 3.22Å; V256-R260 PolarHBondContact O-N 2.98Å |
| 257 | C | 81.4 | Confident | 77 | Confident | 32 Ų | 32 | 114.3 Ų | 114.3 | 22% | 0.216 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -64 | -40.8 | 174.4 | -70.4 | 0 | 0 | 0 | 0 | 112 | F253 Q254 T255 D261 | F253-C257 PolarHBondContact O-N 3.26Å; F253-C257 VanDerWaalsContact O-N 3.15Å; F253-C257 PolarHBondContact O-SG 2.99Å; Q254-C257 PolarHBondContact O-N 3.46Å; T255-C257 VanDerWaalsContact C-N 3.3Å; T255-C257 PolarHBondContact O-N 2.89Å; C257-D261 VanDerWaalsContact O-CG 3.24Å; C257-D261 PolarHBondContact O-N 3.46Å; C257-D261 VanDerWaalsContact O-N 3.13Å |
| 258 | Q | 88.2 | Confident | 79.5 | Confident | 108 Ų | 108 | 114 Ų | 114 | 51% | 0.505 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 176.1 | -71.4 | 172.3 | 22.3 | 0 | 0 | 112.1 | Q254 T255 D261 L262 | Q254-Q258 VanDerWaalsContact O-CG 3.27Å; Q254-Q258 WeakPolarHBondContact O-CG 3.3Å; Q254-Q258 PolarHBondContact O-N 2.91Å; T255-Q258 WeakPolarHBondContact O-CB 3.44Å; T255-Q258 PolarHBondContact O-N 3.44Å; T255-Q258 VanDerWaalsContact O-N 3.08Å; Q258-D261 PolarHBondContact O-N 3.23Å; Q258-L262 WeakPolarHBondContact O-CG 3.27Å; Q258-L262 PolarHBondContact O-N 2.96Å |
| 259 | E | 89.7 | Confident | 81.8 | Confident | 102 Ų | 102 | 112.6 Ų | 112.6 | 48% | 0.477 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.8 | -76 | -176.9 | 166.7 | 0 | 0 | 111.8 | T255 V256 D261 L262 Y263 | T255-E259 PolarHBondContact O-N 3.5Å; V256-E259 PolarHBondContact O-N 3.05Å; E259-D261 PolarHBondContact O-N 3.37Å; E259-L262 WeakPolarHBondContact O-CB 3.46Å; E259-L262 PolarHBondContact O-N 3.04Å; E259-L262 VanDerWaalsContact O-N 3.1Å; E259-Y263 HydrophobicContact CB-CD2 4.49Å; E259-Y263 HydrophobicContact CB-CE2 4.28Å; E259-Y263 WeakPolarHBondContact O-CD2 3.47Å; E259-Y263 PolarHBondContact O-N 2.82Å |
| 260 | R | 84.4 | Confident | 83.7 | Confident | 154 Ų | 154 | 112 Ų | 112 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57.1 | -41 | 175 | -174 | -166.8 | 67.1 | -168.9 | -5.9 | 111.5 | V256 R264 | V256-R260 WeakPolarHBondContact O-CB 3.22Å; V256-R260 PolarHBondContact O-N 2.98Å; R260-R264 WeakPolarHBondContact O-CB 3.43Å; R260-R264 PolarHBondContact O-N 3.02Å |
| 261 | D | 88 | Confident | 85.4 | Confident | 63 Ų | 63 | 109.6 Ų | 109.6 | 34% | 0.337 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.3 | -30.3 | 179.2 | -67.6 | -11.3 | 0 | 0 | 0 | 112.1 | C257 Q258 E259 R265 | C257-D261 VanDerWaalsContact O-CG 3.24Å; C257-D261 PolarHBondContact O-N 3.46Å; C257-D261 VanDerWaalsContact O-N 3.13Å; Q258-D261 PolarHBondContact O-N 3.23Å; E259-D261 PolarHBondContact O-N 3.37Å; D261-R265 WeakPolarHBondContact O-CG 3.35Å; D261-R265 PolarHBondContact O-N 3.03Å; D261-R265 VanDerWaalsContact O-N 3.16Å |
| 262 | L | 93.2 | Very high | 86.7 | Confident | 91 Ų | 91 | 107 Ų | 107 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -51 | 170.6 | -72.1 | 171.2 | 0 | 0 | 0 | 111.8 | Q258 E259 R264 R265 D266 | Q258-L262 WeakPolarHBondContact O-CG 3.27Å; Q258-L262 PolarHBondContact O-N 2.96Å; E259-L262 WeakPolarHBondContact O-CB 3.46Å; E259-L262 PolarHBondContact O-N 3.04Å; E259-L262 VanDerWaalsContact O-N 3.1Å; L262-R264 PolarHBondContact O-N 3.46Å; L262-R265 WeakPolarHBondContact O-CA 3.43Å; L262-R265 WeakPolarHBondContact O-CB 3.34Å; L262-R265 PolarHBondContact O-N 3.49Å; L262-D266 PolarHBondContact O-N 3.3Å |
| 263 | Y | 90.6 | Very high | 88 | Confident | 164 Ų | 164 | 103.8 Ų | 103.8 | 64% | 0.643 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.6 | -36.2 | 176.1 | -73.2 | -58.7 | 0 | 0 | 0 | 112.1 | E259 D266 Y267 | E259-Y263 HydrophobicContact CB-CD2 4.49Å; E259-Y263 HydrophobicContact CB-CE2 4.28Å; E259-Y263 WeakPolarHBondContact O-CD2 3.47Å; E259-Y263 PolarHBondContact O-N 2.82Å; Y263-D266 PolarHBondContact O-N 3.24Å; Y263-Y267 VanDerWaalsContact O-CB 3.28Å; Y263-Y267 WeakPolarHBondContact O-CB 3.49Å; Y263-Y267 PolarHBondContact O-N 2.85Å |
| 264 | R | 90.3 | Very high | 89.4 | Confident | 182 Ų | 182 | 100.9 Ų | 100.9 | 69% | 0.687 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.5 | -38.1 | 174.9 | -168 | 175.8 | -172.2 | 154.6 | 3.4 | 112.3 | R260 L262 M268 | R260-R264 WeakPolarHBondContact O-CB 3.43Å; R260-R264 PolarHBondContact O-N 3.02Å; L262-R264 PolarHBondContact O-N 3.46Å; R264-M268 VanDerWaalsContact O-CG 3.25Å; R264-M268 WeakPolarHBondContact O-CG 3.47Å; R264-M268 PolarHBondContact O-N 3.37Å; R264-M268 VanDerWaalsContact O-N 3.13Å |
| 265 | R | 92.4 | Very high | 90.2 | Very high | 155 Ų | 155 | 102.1 Ų | 102.1 | 59% | 0.585 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.9 | -43 | 174.8 | -73.9 | -175.3 | -167 | 112.9 | 1.5 | 111.9 | D261 L262 Y267 M268 L269 | D261-R265 WeakPolarHBondContact O-CG 3.35Å; D261-R265 PolarHBondContact O-N 3.03Å; D261-R265 VanDerWaalsContact O-N 3.16Å; L262-R265 WeakPolarHBondContact O-CA 3.43Å; L262-R265 WeakPolarHBondContact O-CB 3.34Å; L262-R265 PolarHBondContact O-N 3.49Å; R265-Y267 VanDerWaalsContact C-N 3.33Å; R265-Y267 PolarHBondContact O-N 2.95Å; R265-M268 WeakPolarHBondContact O-CB 3.48Å; R265-M268 PolarHBondContact O-N 2.79Å; R265-M268 VanDerWaalsContact O-N 3.15Å; R265-L269 WeakPolarHBondContact O-CG 3.44Å; R265-L269 PolarHBondContact O-N 3.39Å |
| 266 | D | 94.1 | Very high | 90.9 | Very high | 93 Ų | 93 | 104.9 Ų | 104.9 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 178.9 | -69.3 | -14.6 | 0 | 0 | 0 | 111.9 | L262 Y263 M268 L269 S270 | L262-D266 PolarHBondContact O-N 3.3Å; Y263-D266 PolarHBondContact O-N 3.24Å; D266-M268 VanDerWaalsContact C-N 3.34Å; D266-M268 PolarHBondContact O-N 3.03Å; D266-L269 PolarHBondContact O-N 3.4Å; D266-S270 WeakPolarHBondContact O-CB 3.43Å; D266-S270 PolarHBondContact O-N 3.48Å; D266-S270 PolarHBondContact O-OG 2.94Å |
| 267 | Y | 91.7 | Very high | 91.7 | Very high | 169 Ų | 169 | 105.6 Ų | 105.6 | 66% | 0.663 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -42.5 | 171.4 | -178.6 | -96.9 | 0 | 0 | 0 | 111.9 | Y263 R265 S270 A271 | Y263-Y267 VanDerWaalsContact O-CB 3.28Å; Y263-Y267 WeakPolarHBondContact O-CB 3.49Å; Y263-Y267 PolarHBondContact O-N 2.85Å; R265-Y267 VanDerWaalsContact C-N 3.33Å; R265-Y267 PolarHBondContact O-N 2.95Å; Y267-S270 WeakPolarHBondContact CA-OG 3.42Å; Y267-S270 PolarHBondContact O-OG 3.32Å; Y267-A271 VanDerWaalsContact O-CB 3.3Å; Y267-A271 WeakPolarHBondContact O-CB 3.41Å; Y267-A271 PolarHBondContact O-N 2.91Å |
| 268 | M | 94.4 | Very high | 92.2 | Very high | 102 Ų | 102 | 109.8 Ų | 109.8 | 50% | 0.502 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.7 | -75.7 | -70.8 | -48.3 | 0 | 0 | 112.1 | R264 R265 D266 A271 E272 | R264-M268 VanDerWaalsContact O-CG 3.25Å; R264-M268 WeakPolarHBondContact O-CG 3.47Å; R264-M268 PolarHBondContact O-N 3.37Å; R264-M268 VanDerWaalsContact O-N 3.13Å; R265-M268 WeakPolarHBondContact O-CB 3.48Å; R265-M268 PolarHBondContact O-N 2.79Å; R265-M268 VanDerWaalsContact O-N 3.15Å; D266-M268 VanDerWaalsContact C-N 3.34Å; D266-M268 PolarHBondContact O-N 3.03Å; M268-A271 PolarHBondContact O-N 3.15Å; M268-E272 PolarHBondContact O-N 2.97Å |
| 269 | L | 94.8 | Very high | 92.6 | Very high | 105 Ų | 105 | 111.1 Ų | 111.1 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 179 | -71.9 | 171.8 | 0 | 0 | 0 | 112.3 | R265 D266 E272 A273 | R265-L269 WeakPolarHBondContact O-CG 3.44Å; R265-L269 PolarHBondContact O-N 3.39Å; D266-L269 PolarHBondContact O-N 3.4Å; L269-E272 PolarHBondContact O-N 3.45Å; L269-A273 PolarHBondContact O-N 2.88Å |
| 270 | S | 91.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 111.7 Ų | 111.7 | 40% | 0.399 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 176.3 | 55 | 0 | 0 | 0 | 0 | 112 | D266 Y267 E272 A273 I274 | D266-S270 WeakPolarHBondContact O-CB 3.43Å; D266-S270 PolarHBondContact O-N 3.48Å; D266-S270 PolarHBondContact O-OG 2.94Å; Y267-S270 WeakPolarHBondContact CA-OG 3.42Å; Y267-S270 PolarHBondContact O-OG 3.32Å; S270-E272 VanDerWaalsContact C-N 3.34Å; S270-E272 PolarHBondContact O-N 3.28Å; S270-A273 PolarHBondContact O-N 3.25Å; S270-I274 VanDerWaalsContact O-CG1 3.31Å; S270-I274 WeakPolarHBondContact O-CG1 3.31Å; S270-I274 PolarHBondContact O-N 3.24Å |
| 271 | A | 93.7 | Very high | 93.4 | Very high | 30 Ų | 30 | 109 Ų | 109 | 25% | 0.248 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y267 M268 K275 | Y267-A271 VanDerWaalsContact O-CB 3.3Å; Y267-A271 WeakPolarHBondContact O-CB 3.41Å; Y267-A271 PolarHBondContact O-N 2.91Å; M268-A271 PolarHBondContact O-N 3.15Å; A271-K275 WeakPolarHBondContact O-CG 3.47Å; A271-K275 PolarHBondContact O-N 2.9Å |
| 272 | E | 95.1 | Very high | 93.7 | Very high | 99 Ų | 99 | 110.1 Ų | 110.1 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 173.2 | -75 | 178.1 | -177 | 0 | 0 | 112.4 | M268 L269 S270 K275 Q276 | M268-E272 PolarHBondContact O-N 2.97Å; L269-E272 PolarHBondContact O-N 3.45Å; S270-E272 VanDerWaalsContact C-N 3.34Å; S270-E272 PolarHBondContact O-N 3.28Å; E272-K275 PolarHBondContact O-N 2.85Å; E272-Q276 WeakPolarHBondContact O-CG 3.48Å; E272-Q276 PolarHBondContact O-N 3.44Å |
| 273 | A | 94.9 | Very high | 93.9 | Very high | 47 Ų | 47 | 109.2 Ų | 109.2 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L269 S270 Q276 L277 | L269-A273 PolarHBondContact O-N 2.88Å; S270-A273 PolarHBondContact O-N 3.25Å; A273-Q276 PolarHBondContact O-N 2.93Å; A273-L277 PolarHBondContact O-N 3.02Å |
| 274 | I | 92.5 | Very high | 94 | Very high | 92 Ų | 92 | 107.6 Ų | 107.6 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 175.1 | -69.3 | 166.1 | 0 | 0 | 0 | 110.4 | S270 Q276 L277 E278 | S270-I274 VanDerWaalsContact O-CG1 3.31Å; S270-I274 WeakPolarHBondContact O-CG1 3.31Å; S270-I274 PolarHBondContact O-N 3.24Å; I274-Q276 VanDerWaalsContact C-N 3.26Å; I274-Q276 PolarHBondContact O-N 3.33Å; I274-L277 PolarHBondContact O-N 3.41Å; I274-L277 VanDerWaalsContact O-N 3.11Å; I274-E278 HydrophobicContact CG2-CG 4.32Å; I274-E278 WeakPolarHBondContact O-CG 3.37Å; I274-E278 PolarHBondContact O-N 3.4Å |
| 275 | K | 93.8 | Very high | 94.3 | Very high | 142 Ų | 142 | 106.4 Ų | 106.4 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.6 | -36.9 | 176.7 | -74.2 | 175.6 | -178.3 | 175.3 | 0 | 112.8 | A271 E272 F279 | A271-K275 WeakPolarHBondContact O-CG 3.47Å; A271-K275 PolarHBondContact O-N 2.9Å; E272-K275 PolarHBondContact O-N 2.85Å; K275-F279 PolarHBondContact O-N 3.37Å; K275-F279 VanDerWaalsContact O-N 3.08Å |
| 276 | Q | 95.7 | Very high | 94.4 | Very high | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.2 | -42.3 | 175.5 | -71.4 | 178.6 | 12.9 | 0 | 0 | 112.1 | E272 A273 I274 F279 Q280 | E272-Q276 WeakPolarHBondContact O-CG 3.48Å; E272-Q276 PolarHBondContact O-N 3.44Å; A273-Q276 PolarHBondContact O-N 2.93Å; I274-Q276 VanDerWaalsContact C-N 3.26Å; I274-Q276 PolarHBondContact O-N 3.33Å; Q276-F279 PolarHBondContact O-N 3.34Å; Q276-Q280 WeakPolarHBondContact O-CG 3.36Å; Q276-Q280 PolarHBondContact O-N 3.42Å |
| 277 | L | 94.6 | Very high | 94.4 | Very high | 103 Ų | 103 | 100.8 Ų | 100.8 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 176.1 | -71.5 | 173.3 | 0 | 0 | 0 | 112.1 | A273 I274 Q280 L281 | A273-L277 PolarHBondContact O-N 3.02Å; I274-L277 PolarHBondContact O-N 3.41Å; I274-L277 VanDerWaalsContact O-N 3.11Å; L277-Q280 PolarHBondContact O-N 2.91Å; L277-L281 WeakPolarHBondContact O-CB 3.45Å; L277-L281 PolarHBondContact O-N 3.41Å |
| 278 | E | 93.8 | Very high | 94.4 | Very high | 121 Ų | 121 | 97.3 Ų | 97.3 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.5 | -45 | 174.2 | -72.5 | 174.9 | 159.2 | 0 | 0 | 111.5 | I274 Q280 L281 E282 | I274-E278 HydrophobicContact CG2-CG 4.32Å; I274-E278 WeakPolarHBondContact O-CG 3.37Å; I274-E278 PolarHBondContact O-N 3.4Å; E278-Q280 PolarHBondContact O-N 2.8Å; E278-L281 PolarHBondContact O-N 2.79Å; E278-E282 WeakPolarHBondContact O-CB 3.25Å; E278-E282 PolarHBondContact O-N 3.11Å |
| 279 | F | 95.6 | Very high | 94.4 | Very high | 136 Ų | 136 | 97.5 Ų | 97.5 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 175.2 | -179.1 | -103.3 | 0 | 0 | 0 | 112.7 | K275 Q276 E282 N283 | K275-F279 PolarHBondContact O-N 3.37Å; K275-F279 VanDerWaalsContact O-N 3.08Å; Q276-F279 PolarHBondContact O-N 3.34Å; F279-E282 PolarHBondContact O-N 3.31Å; F279-N283 WeakPolarHBondContact CE1-ND2 3.4Å; F279-N283 WeakPolarHBondContact CZ-ND2 3.37Å; F279-N283 PolarHBondContact O-N 3.41Å; F279-N283 PolarHBondContact O-ND2 2.81Å |
| 280 | Q | 96.7 | Very high | 94.3 | Very high | 114 Ų | 114 | 100.4 Ų | 100.4 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 175.1 | -73.7 | -178.6 | 6.4 | 0 | 0 | 112.4 | Q276 L277 E278 E282 N283 Q284 | Q276-Q280 WeakPolarHBondContact O-CG 3.36Å; Q276-Q280 PolarHBondContact O-N 3.42Å; L277-Q280 PolarHBondContact O-N 2.91Å; E278-Q280 PolarHBondContact O-N 2.8Å; Q280-E282 VanDerWaalsContact C-N 3.32Å; Q280-E282 PolarHBondContact O-N 3.46Å; Q280-N283 PolarHBondContact O-N 3.1Å; Q280-Q284 PolarHBondContact O-N 2.86Å |
| 281 | L | 93.1 | Very high | 94.3 | Very high | 97 Ų | 97 | 103.4 Ų | 103.4 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 175.3 | -89.4 | 166 | 0 | 0 | 0 | 111.6 | L277 E278 Q284 R285 | L277-L281 WeakPolarHBondContact O-CB 3.45Å; L277-L281 PolarHBondContact O-N 3.41Å; E278-L281 PolarHBondContact O-N 2.79Å; L281-Q284 PolarHBondContact O-N 3.11Å; L281-R285 WeakPolarHBondContact O-CG 3.21Å; L281-R285 PolarHBondContact O-N 3.06Å |
| 282 | E | 96.1 | Very high | 94.3 | Very high | 86 Ų | 86 | 106.8 Ų | 106.8 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 176.4 | -172.8 | 53.1 | -145.6 | 0 | 0 | 111.7 | E278 F279 Q280 Q284 R285 Q286 | E278-E282 WeakPolarHBondContact O-CB 3.25Å; E278-E282 PolarHBondContact O-N 3.11Å; F279-E282 PolarHBondContact O-N 3.31Å; Q280-E282 VanDerWaalsContact C-N 3.32Å; Q280-E282 PolarHBondContact O-N 3.46Å; E282-Q284 PolarHBondContact O-N 3.16Å; E282-R285 PolarHBondContact O-N 3.32Å; E282-Q286 WeakPolarHBondContact O-CG 3.25Å; E282-Q286 PolarHBondContact O-N 2.95Å; E282-Q286 PolarHBondContact OE1-NE2 2.91Å |
| 283 | N | 95.7 | Very high | 94.2 | Very high | 73 Ų | 73 | 107.6 Ų | 107.6 | 39% | 0.39 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 173 | -80.1 | -32.9 | 0 | 0 | 0 | 112.9 | F279 Q280 Q286 S287 | F279-N283 WeakPolarHBondContact CE1-ND2 3.4Å; F279-N283 WeakPolarHBondContact CZ-ND2 3.37Å; F279-N283 PolarHBondContact O-N 3.41Å; F279-N283 PolarHBondContact O-ND2 2.81Å; Q280-N283 PolarHBondContact O-N 3.1Å; N283-Q286 PolarHBondContact O-N 3.41Å; N283-S287 PolarHBondContact O-N 2.76Å |
| 284 | Q | 94.6 | Very high | 94 | Very high | 130 Ų | 130 | 107.2 Ų | 107.2 | 61% | 0.607 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -40.8 | 175.6 | -74.7 | -164.8 | -12.5 | 0 | 0 | 111.9 | Q280 L281 E282 Q286 S287 L288 | Q280-Q284 PolarHBondContact O-N 2.86Å; L281-Q284 PolarHBondContact O-N 3.11Å; E282-Q284 PolarHBondContact O-N 3.16Å; Q284-Q286 PolarHBondContact O-N 2.84Å; Q284-S287 WeakPolarHBondContact O-CB 3.35Å; Q284-S287 PolarHBondContact O-N 3.37Å; Q284-L288 WeakPolarHBondContact O-CG 3.39Å; Q284-L288 PolarHBondContact O-N 3.04Å |
| 285 | R | 94.7 | Very high | 93.8 | Very high | 156 Ų | 156 | 106.4 Ų | 106.4 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.2 | -46.1 | 173.8 | -77.3 | 176.4 | 172.5 | 166.9 | -1.3 | 111.7 | L281 E282 S287 L288 L289 | L281-R285 WeakPolarHBondContact O-CG 3.21Å; L281-R285 PolarHBondContact O-N 3.06Å; E282-R285 PolarHBondContact O-N 3.32Å; R285-S287 VanDerWaalsContact C-N 3.32Å; R285-S287 PolarHBondContact O-N 3.48Å; R285-L288 PolarHBondContact O-N 3.37Å; R285-L289 WeakPolarHBondContact O-CG 3.48Å; R285-L289 PolarHBondContact O-N 3.04Å |
| 286 | Q | 95 | Very high | 93.5 | Very high | 79 Ų | 79 | 105.9 Ų | 105.9 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 174.9 | -69 | -178.7 | 19.5 | 0 | 0 | 112.4 | E282 N283 Q284 R290 | E282-Q286 WeakPolarHBondContact O-CG 3.25Å; E282-Q286 PolarHBondContact O-N 2.95Å; E282-Q286 PolarHBondContact OE1-NE2 2.91Å; N283-Q286 PolarHBondContact O-N 3.41Å; Q284-Q286 PolarHBondContact O-N 2.84Å; Q286-R290 WeakPolarHBondContact O-CG 3.42Å; Q286-R290 PolarHBondContact O-N 3.44Å |
| 287 | S | 94.4 | Very high | 93 | Very high | 52 Ų | 52 | 106.8 Ų | 106.8 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 173.9 | 179.8 | 0 | 0 | 0 | 0 | 112.7 | N283 Q284 R285 K291 | N283-S287 PolarHBondContact O-N 2.76Å; Q284-S287 WeakPolarHBondContact O-CB 3.35Å; Q284-S287 PolarHBondContact O-N 3.37Å; R285-S287 VanDerWaalsContact C-N 3.32Å; R285-S287 PolarHBondContact O-N 3.48Å; S287-K291 WeakPolarHBondContact O-CG 3.4Å; S287-K291 PolarHBondContact O-N 3.1Å; S287-K291 VanDerWaalsContact O-N 3.12Å |
| 288 | L | 91.9 | Very high | 92.4 | Very high | 95 Ų | 95 | 107.2 Ų | 107.2 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.7 | -44 | 176.7 | -73 | 171.2 | 0 | 0 | 0 | 110.7 | Q284 R285 R290 K291 D292 | Q284-L288 WeakPolarHBondContact O-CG 3.39Å; Q284-L288 PolarHBondContact O-N 3.04Å; R285-L288 PolarHBondContact O-N 3.37Å; L288-R290 VanDerWaalsContact C-N 3.33Å; L288-R290 PolarHBondContact O-N 2.87Å; L288-K291 CarbonylContact O-C 3.6Å; L288-K291 WeakPolarHBondContact O-CA 3.33Å; L288-K291 WeakPolarHBondContact O-CB 3.47Å; L288-K291 PolarHBondContact O-N 2.81Å; L288-D292 PolarHBondContact O-N 2.87Å |
| 289 | L | 93.5 | Very high | 91.7 | Very high | 106 Ų | 106 | 106 Ų | 106 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.8 | -44.2 | 174.2 | -76.1 | 167.8 | 0 | 0 | 0 | 112.4 | R285 K291 D292 E293 | R285-L289 WeakPolarHBondContact O-CG 3.48Å; R285-L289 PolarHBondContact O-N 3.04Å; L289-K291 VanDerWaalsContact C-N 3.31Å; L289-K291 PolarHBondContact O-N 3.48Å; L289-D292 PolarHBondContact O-N 3.26Å; L289-E293 WeakPolarHBondContact O-CG 3.31Å; L289-E293 PolarHBondContact O-N 3.44Å |
| 290 | R | 92.8 | Very high | 90.8 | Very high | 167 Ų | 167 | 104.4 Ų | 104.4 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -35.3 | 174.3 | -71.1 | -176.5 | -163.5 | 155.5 | 7.7 | 112.9 | Q286 L288 S294 | Q286-R290 WeakPolarHBondContact O-CG 3.42Å; Q286-R290 PolarHBondContact O-N 3.44Å; L288-R290 VanDerWaalsContact C-N 3.33Å; L288-R290 PolarHBondContact O-N 2.87Å; R290-S294 PolarHBondContact O-N 2.89Å |
| 291 | K | 91.9 | Very high | 89.8 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 52% | 0.522 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 175.4 | -75.8 | 175.6 | -179.9 | -179.3 | 0 | 110.3 | S287 L288 L289 E293 S294 V295 | S287-K291 WeakPolarHBondContact O-CG 3.4Å; S287-K291 PolarHBondContact O-N 3.1Å; S287-K291 VanDerWaalsContact O-N 3.12Å; L288-K291 CarbonylContact O-C 3.6Å; L288-K291 WeakPolarHBondContact O-CA 3.33Å; L288-K291 WeakPolarHBondContact O-CB 3.47Å; L288-K291 PolarHBondContact O-N 2.81Å; L289-K291 VanDerWaalsContact C-N 3.31Å; L289-K291 PolarHBondContact O-N 3.48Å; K291-E293 VanDerWaalsContact C-N 3.35Å; K291-E293 PolarHBondContact O-N 3.38Å; K291-S294 CarbonylContact O-C 3.53Å; K291-S294 WeakPolarHBondContact O-CA 3.34Å; K291-S294 WeakPolarHBondContact O-CB 3.32Å; K291-S294 PolarHBondContact O-N 3.44Å; K291-S294 PolarHBondContact O-OG 2.96Å; K291-V295 WeakPolarHBondContact O-CG2 3.48Å; K291-V295 PolarHBondContact O-N 2.81Å |
| 292 | D | 94.9 | Very high | 88.7 | Confident | 101 Ų | 101 | 104.7 Ų | 104.7 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 176.2 | -69.1 | -26 | 0 | 0 | 0 | 111.4 | L288 L289 S294 V295 K296 | L288-D292 PolarHBondContact O-N 2.87Å; L289-D292 PolarHBondContact O-N 3.26Å; D292-S294 VanDerWaalsContact C-N 3.3Å; D292-S294 PolarHBondContact O-N 2.95Å; D292-V295 PolarHBondContact O-N 2.85Å; D292-K296 VanDerWaalsContact O-CB 3.32Å; D292-K296 WeakPolarHBondContact O-CB 3.42Å; D292-K296 PolarHBondContact O-N 3.48Å |
| 293 | E | 92.4 | Very high | 87.3 | Confident | 115 Ų | 115 | 107.8 Ų | 107.8 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -35.8 | 171.4 | -75 | 177.7 | 175.3 | 0 | 0 | 112.5 | L289 K291 R297 | L289-E293 WeakPolarHBondContact O-CG 3.31Å; L289-E293 PolarHBondContact O-N 3.44Å; K291-E293 VanDerWaalsContact C-N 3.35Å; K291-E293 PolarHBondContact O-N 3.38Å; E293-R297 WeakPolarHBondContact O-CB 3.36Å; E293-R297 WeakPolarHBondContact O-CG 3.42Å; E293-R297 PolarHBondContact O-N 3.1Å; E293-R297 PolarHBondContact O-NE 3.02Å |
| 294 | S | 90.1 | Very high | 85.5 | Confident | 40 Ų | 40 | 108.9 Ų | 108.9 | 28% | 0.28 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70 | -40.2 | 175.6 | 88.5 | 0 | 0 | 0 | 0 | 112.1 | R290 K291 D292 K296 R297 L298 | R290-S294 PolarHBondContact O-N 2.89Å; K291-S294 CarbonylContact O-C 3.53Å; K291-S294 WeakPolarHBondContact O-CA 3.34Å; K291-S294 WeakPolarHBondContact O-CB 3.32Å; K291-S294 PolarHBondContact O-N 3.44Å; K291-S294 PolarHBondContact O-OG 2.96Å; D292-S294 VanDerWaalsContact C-N 3.3Å; D292-S294 PolarHBondContact O-N 2.95Å; S294-K296 VanDerWaalsContact C-N 3.34Å; S294-R297 PolarHBondContact O-N 3.26Å; S294-L298 WeakPolarHBondContact O-CB 3.39Å; S294-L298 WeakPolarHBondContact O-CG 3.43Å; S294-L298 PolarHBondContact O-N 3.39Å |
| 295 | V | 88.3 | Confident | 83.1 | Confident | 74 Ų | 74 | 111 Ų | 111 | 45% | 0.448 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 109 | K291 D292 R297 L298 L299 | K291-V295 WeakPolarHBondContact O-CG2 3.48Å; K291-V295 PolarHBondContact O-N 2.81Å; D292-V295 PolarHBondContact O-N 2.85Å; V295-R297 PolarHBondContact O-N 3.33Å; V295-L298 WeakPolarHBondContact O-CB 3.48Å; V295-L298 PolarHBondContact O-N 3.26Å; V295-L298 VanDerWaalsContact O-N 3.16Å; V295-L299 HydrophobicContact CG1-CD1 4.01Å; V295-L299 HydrophobicContact CG1-CG 4.4Å; V295-L299 WeakPolarHBondContact O-CB 3.47Å; V295-L299 VanDerWaalsContact O-CG 3.29Å; V295-L299 WeakPolarHBondContact O-CG 3.33Å; V295-L299 PolarHBondContact O-N 2.68Å |
| 296 | K | 87.5 | Confident | 80.6 | Confident | 131 Ų | 131 | 106.2 Ų | 106.2 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.7 | -44.5 | 175 | -167.7 | 177.9 | 179.4 | -177.2 | 0 | 111.8 | D292 S294 L298 L299 E300 | D292-K296 VanDerWaalsContact O-CB 3.32Å; D292-K296 WeakPolarHBondContact O-CB 3.42Å; D292-K296 PolarHBondContact O-N 3.48Å; S294-K296 VanDerWaalsContact C-N 3.34Å; K296-L298 PolarHBondContact O-N 2.84Å; K296-L299 PolarHBondContact O-N 2.9Å; K296-E300 VanDerWaalsContact CE-OE1 3.32Å; K296-E300 WeakPolarHBondContact CE-OE1 3.43Å; K296-E300 WeakPolarHBondContact O-CB 3.31Å; K296-E300 WeakPolarHBondContact O-CG 3.4Å; K296-E300 PolarHBondContact O-N 3.4Å |
| 297 | R | 84.7 | Confident | 77.9 | Confident | 147 Ų | 147 | 109 Ų | 109 | 56% | 0.555 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.9 | -37.1 | 174 | -80.5 | -177.6 | -81.4 | 114.4 | -6 | 113.2 | E293 S294 V295 A301 | E293-R297 WeakPolarHBondContact O-CB 3.36Å; E293-R297 WeakPolarHBondContact O-CG 3.42Å; E293-R297 PolarHBondContact O-N 3.1Å; E293-R297 PolarHBondContact O-NE 3.02Å; S294-R297 PolarHBondContact O-N 3.26Å; V295-R297 PolarHBondContact O-N 3.33Å; R297-A301 WeakPolarHBondContact O-CB 3.41Å; R297-A301 PolarHBondContact O-N 3.34Å |
| 298 | L | 83.2 | Confident | 75.3 | Confident | 112 Ų | 112 | 111.9 Ų | 111.9 | 59% | 0.586 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.9 | -41.4 | 174.4 | -78.1 | 168.8 | 0 | 0 | 0 | 111.3 | S294 V295 K296 A301 F302 | S294-L298 WeakPolarHBondContact O-CB 3.39Å; S294-L298 WeakPolarHBondContact O-CG 3.43Å; S294-L298 PolarHBondContact O-N 3.39Å; V295-L298 WeakPolarHBondContact O-CB 3.48Å; V295-L298 PolarHBondContact O-N 3.26Å; V295-L298 VanDerWaalsContact O-N 3.16Å; K296-L298 PolarHBondContact O-N 2.84Å; L298-A301 PolarHBondContact O-N 2.94Å; L298-F302 WeakPolarHBondContact O-CB 3.39Å; L298-F302 PolarHBondContact O-N 3.31Å |
| 299 | L | 77.8 | Confident | 72.8 | Confident | 94 Ų | 94 | 111.8 Ų | 111.8 | 49% | 0.492 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.8 | -47.9 | 173.6 | -69 | 171.4 | 0 | 0 | 0 | 110.3 | V295 K296 A301 F302 H303 | V295-L299 HydrophobicContact CG1-CD1 4.01Å; V295-L299 HydrophobicContact CG1-CG 4.4Å; V295-L299 WeakPolarHBondContact O-CB 3.47Å; V295-L299 VanDerWaalsContact O-CG 3.29Å; V295-L299 WeakPolarHBondContact O-CG 3.33Å; V295-L299 PolarHBondContact O-N 2.68Å; K296-L299 PolarHBondContact O-N 2.9Å; L299-A301 VanDerWaalsContact C-N 3.32Å; L299-A301 PolarHBondContact O-N 3.33Å; L299-F302 CarbonylContact O-C 3.6Å; L299-F302 WeakPolarHBondContact O-CA 3.46Å; L299-F302 VanDerWaalsContact O-CB 3.27Å; L299-F302 WeakPolarHBondContact O-CB 3.47Å; L299-F302 PolarHBondContact O-N 2.97Å; L299-F302 VanDerWaalsContact O-N 3.09Å; L299-H303 PolarHBondContact O-N 2.89Å; L299-H303 PolarHBondContact O-ND1 3.27Å |
| 300 | E | 77.6 | Confident | 70.2 | Confident | 103 Ų | 103 | 109.6 Ų | 109.6 | 48% | 0.481 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.3 | -36.2 | 175.3 | -76.5 | 171.8 | -171.4 | 0 | 0 | 112.2 | K296 F302 H303 S304 | K296-E300 VanDerWaalsContact CE-OE1 3.32Å; K296-E300 WeakPolarHBondContact CE-OE1 3.43Å; K296-E300 WeakPolarHBondContact O-CB 3.31Å; K296-E300 WeakPolarHBondContact O-CG 3.4Å; K296-E300 PolarHBondContact O-N 3.4Å; E300-F302 VanDerWaalsContact C-N 3.33Å; E300-H303 PolarHBondContact O-N 2.97Å; E300-S304 WeakPolarHBondContact O-CA 3.48Å; E300-S304 WeakPolarHBondContact O-CB 3.39Å; E300-S304 PolarHBondContact O-N 2.96Å; E300-S304 PolarHBondContact O-OG 2.87Å |
| 301 | A | 76.7 | Confident | 67.8 | Low | 46 Ų | 46 | 111.2 Ų | 111.2 | 38% | 0.38 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.9 | -36.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R297 L298 L299 S304 K305 | R297-A301 WeakPolarHBondContact O-CB 3.41Å; R297-A301 PolarHBondContact O-N 3.34Å; L298-A301 PolarHBondContact O-N 2.94Å; L299-A301 VanDerWaalsContact C-N 3.32Å; L299-A301 PolarHBondContact O-N 3.33Å; A301-S304 WeakPolarHBondContact CA-OG 3.41Å; A301-S304 PolarHBondContact O-OG 2.93Å; A301-K305 PolarHBondContact O-N 3.26Å; A301-K305 VanDerWaalsContact O-N 3.15Å |
| 302 | F | 69 | Low | 65.6 | Low | 172 Ų | 172 | 110 Ų | 110 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.9 | -39.9 | 172.5 | -111.5 | -86.5 | 0 | 0 | 0 | 112.2 | L298 L299 E300 | L298-F302 WeakPolarHBondContact O-CB 3.39Å; L298-F302 PolarHBondContact O-N 3.31Å; L299-F302 CarbonylContact O-C 3.6Å; L299-F302 WeakPolarHBondContact O-CA 3.46Å; L299-F302 VanDerWaalsContact O-CB 3.27Å; L299-F302 WeakPolarHBondContact O-CB 3.47Å; L299-F302 PolarHBondContact O-N 2.97Å; L299-F302 VanDerWaalsContact O-N 3.09Å; E300-F302 VanDerWaalsContact C-N 3.33Å |
| 303 | H | 65.9 | Low | 63.3 | Low | 151 Ų | 151 | 111.5 Ų | 111.5 | 70% | 0.699 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -79.7 | -35 | 179.5 | -68 | 92.3 | 0 | 0 | 0 | 112.5 | L299 E300 | L299-H303 PolarHBondContact O-N 2.89Å; L299-H303 PolarHBondContact O-ND1 3.27Å; E300-H303 PolarHBondContact O-N 2.97Å |
| 304 | S | 58.7 | Low | 61.4 | Low | 95 Ų | 95 | 108.7 Ų | 108.7 | 66% | 0.664 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -79 | -23.5 | -177.7 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | E300 A301 G306 | E300-S304 WeakPolarHBondContact O-CA 3.48Å; E300-S304 WeakPolarHBondContact O-CB 3.39Å; E300-S304 PolarHBondContact O-N 2.96Å; E300-S304 PolarHBondContact O-OG 2.87Å; A301-S304 WeakPolarHBondContact CA-OG 3.41Å; A301-S304 PolarHBondContact O-OG 2.93Å; S304-G306 PolarHBondContact O-N 3.14Å |
| 305 | K | 44 | Very low | 60.2 | Low | 174 Ų | 174 | 110.5 Ų | 110.5 | 76% | 0.757 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -80.2 | 69.8 | 161.7 | -68 | -167.8 | 178.9 | -176.6 | 0 | 109.2 | A301 V307 | A301-K305 PolarHBondContact O-N 3.26Å; A301-K305 VanDerWaalsContact O-N 3.15Å; K305-V307 PolarHBondContact O-N 3.21Å |
| 306 | G | 42.6 | Very low | 59.1 | Low | 57 Ų | 57 | 113 Ų | 113 | 59% | 0.588 | 62% | 0.615 | S | S | * | * | trans | -47.4 | 114.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | S304 P308 | S304-G306 PolarHBondContact O-N 3.14Å; G306-P308 WeakPolarHBondContact O-CD 3.45Å | ||
| 307 | V | 37.8 | Very low | 58.3 | Low | 136 Ų | 136 | 111.9 Ų | 111.9 | 82% | 0.824 | 62% | 0.615 | S | S | * | * | trans | -20.2 | 119.3 | 176.9 | -177 | 0 | 0 | 0 | 0 | 113.4 | K305 | K305-V307 PolarHBondContact O-N 3.21Š| ||
| 308 | P | 40.8 | Very low | 57.9 | Low | 114 Ų | 114 | 110.4 Ų | 110.4 | 74% | 0.74 | 62% | 0.615 | S | S | * | * | -130 | 138.6 | 128.2 | 26.6 | -8.4 | 0 | 0 | 0 | 110.7 | G306 | G306-P308 WeakPolarHBondContact O-CD 3.45Š| |||
| 309 | S | 38 | Very low | 57.7 | Low | 93 Ų | 93 | 110 Ų | 110 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | trans | 75.5 | 83.6 | 164.9 | -104.3 | 0 | 0 | 0 | 0 | 116.9 | R311 | S309-R311 PolarHBondContact O-N 3.47Š| ||
| 310 | G | 38.7 | Very low | 57.7 | Low | 60 Ų | 60 | 107.9 Ų | 107.9 | 62% | 0.619 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 68.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S314 | G310-S314 WeakPolarHBondContact O-CB 3.46Š|
| 311 | R | 43.4 | Very low | 57.9 | Low | 201 Ų | 201 | 108.3 Ų | 108.3 | 76% | 0.758 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -36 | 165.3 | -74 | -173.2 | -178.1 | 177.9 | 1.3 | 112.3 | S309 V315 | S309-R311 PolarHBondContact O-N 3.47Å; R311-V315 VanDerWaalsContact O-CG2 3.28Å; R311-V315 WeakPolarHBondContact O-CG2 3.49Å; R311-V315 PolarHBondContact O-N 2.93Å |
| 312 | S | 46.2 | Very low | 58.3 | Low | 95 Ų | 95 | 109 Ų | 109 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.1 | -44.8 | -177.6 | -147 | 0 | 0 | 0 | 0 | 113.1 | S314 V315 E316 | S312-S314 VanDerWaalsContact C-N 3.31Å; S312-V315 PolarHBondContact O-N 2.91Å; S312-E316 PolarHBondContact O-N 3.5Å |
| 313 | L | 46.7 | Very low | 59.2 | Low | 131 Ų | 131 | 108.7 Ų | 108.7 | 69% | 0.686 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.8 | -25.6 | 174.7 | -69.7 | 172.9 | 0 | 0 | 0 | 112.3 | V315 E316 L317 | L313-V315 VanDerWaalsContact C-N 3.31Å; L313-E316 PolarHBondContact O-N 3.18Å; L313-L317 WeakPolarHBondContact O-CB 3.47Å; L313-L317 PolarHBondContact O-N 3.49Å |
| 314 | S | 51.5 | Low | 60.4 | Low | 57 Ų | 57 | 105.1 Ų | 105.1 | 40% | 0.399 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.1 | -41 | 170.3 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | G310 S312 L317 E318 | G310-S314 WeakPolarHBondContact O-CB 3.46Å; S312-S314 VanDerWaalsContact C-N 3.31Å; S314-L317 PolarHBondContact O-N 2.9Å; S314-E318 WeakPolarHBondContact O-CB 3.41Å; S314-E318 PolarHBondContact O-N 2.8Å |
| 315 | V | 65.2 | Low | 61.8 | Low | 77 Ų | 77 | 105.9 Ų | 105.9 | 47% | 0.467 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.8 | -44.7 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | R311 S312 L313 E318 I319 | R311-V315 VanDerWaalsContact O-CG2 3.28Å; R311-V315 WeakPolarHBondContact O-CG2 3.49Å; R311-V315 PolarHBondContact O-N 2.93Å; S312-V315 PolarHBondContact O-N 2.91Å; L313-V315 VanDerWaalsContact C-N 3.31Å; V315-E318 PolarHBondContact O-N 3.31Å; V315-I319 HydrophobicContact CG1-CD1 3.71Å; V315-I319 HydrophobicContact CG1-CG1 4.33Å; V315-I319 WeakPolarHBondContact O-CB 3.49Å; V315-I319 WeakPolarHBondContact O-CD1 3.23Å; V315-I319 WeakPolarHBondContact O-CG1 3.41Å; V315-I319 PolarHBondContact O-N 3.15Å |
| 316 | E | 64.4 | Low | 64 | Low | 126 Ų | 126 | 102.2 Ų | 102.2 | 59% | 0.589 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.7 | -38.2 | 177.6 | -74.3 | -176.4 | 178.5 | 0 | 0 | 112.6 | S312 L313 I319 A320 | S312-E316 PolarHBondContact O-N 3.5Å; L313-E316 PolarHBondContact O-N 3.18Å; E316-I319 PolarHBondContact O-N 3.35Å; E316-A320 WeakPolarHBondContact O-CB 3.33Å; E316-A320 PolarHBondContact O-N 2.79Å |
| 317 | L | 72.3 | Confident | 66.2 | Low | 108 Ų | 108 | 103.5 Ų | 103.5 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.1 | -38.2 | 174.7 | -163.2 | 84 | 0 | 0 | 0 | 111.5 | L313 S314 A320 Q321 | L313-L317 WeakPolarHBondContact O-CB 3.47Å; L313-L317 PolarHBondContact O-N 3.49Å; S314-L317 PolarHBondContact O-N 2.9Å; L317-A320 PolarHBondContact O-N 3.01Å; L317-Q321 WeakPolarHBondContact O-CB 3.38Å; L317-Q321 VanDerWaalsContact O-CG 3.25Å; L317-Q321 WeakPolarHBondContact O-CG 3.46Å; L317-Q321 PolarHBondContact O-N 3.48Å |
| 318 | E | 76 | Confident | 68.7 | Low | 117 Ų | 117 | 102 Ų | 102 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.8 | -36.1 | 176.6 | -171.5 | 169.3 | -157.8 | 0 | 0 | 111.2 | S314 V315 Q321 S322 | S314-E318 WeakPolarHBondContact O-CB 3.41Å; S314-E318 PolarHBondContact O-N 2.8Å; V315-E318 PolarHBondContact O-N 3.31Å; E318-Q321 PolarHBondContact O-N 2.8Å; E318-S322 VanDerWaalsContact O-CB 3.25Å; E318-S322 WeakPolarHBondContact O-CB 3.45Å; E318-S322 PolarHBondContact O-N 3.32Å |
| 319 | I | 79.4 | Confident | 71.1 | Confident | 102 Ų | 102 | 98.6 Ų | 98.6 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 169.7 | -70.2 | 164.2 | 0 | 0 | 0 | 110.5 | V315 E316 S322 R323 | V315-I319 HydrophobicContact CG1-CD1 3.71Å; V315-I319 HydrophobicContact CG1-CG1 4.33Å; V315-I319 WeakPolarHBondContact O-CB 3.49Å; V315-I319 WeakPolarHBondContact O-CD1 3.23Å; V315-I319 WeakPolarHBondContact O-CG1 3.41Å; V315-I319 PolarHBondContact O-N 3.15Å; E316-I319 PolarHBondContact O-N 3.35Å; I319-S322 PolarHBondContact O-N 2.96Å; I319-R323 WeakPolarHBondContact O-CB 3.46Å; I319-R323 PolarHBondContact O-N 2.89Å |
| 320 | A | 77.5 | Confident | 73.7 | Confident | 51 Ų | 51 | 101.3 Ų | 101.3 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E316 L317 R323 V324 | E316-A320 WeakPolarHBondContact O-CB 3.33Å; E316-A320 PolarHBondContact O-N 2.79Å; L317-A320 PolarHBondContact O-N 3.01Å; A320-R323 WeakPolarHBondContact O-CB 3.33Å; A320-R323 PolarHBondContact O-N 2.78Å; A320-V324 WeakPolarHBondContact O-CG2 3.43Å; A320-V324 PolarHBondContact O-N 3.3Å |
| 321 | Q | 81.7 | Confident | 76.1 | Confident | 112 Ų | 112 | 101.8 Ų | 101.8 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 174.8 | -75.7 | 175 | -3 | 0 | 0 | 111.9 | L317 E318 R323 V324 L325 | L317-Q321 WeakPolarHBondContact O-CB 3.38Å; L317-Q321 VanDerWaalsContact O-CG 3.25Å; L317-Q321 WeakPolarHBondContact O-CG 3.46Å; L317-Q321 PolarHBondContact O-N 3.48Å; E318-Q321 PolarHBondContact O-N 2.8Å; Q321-R323 VanDerWaalsContact C-N 3.3Å; Q321-R323 PolarHBondContact O-N 3.44Å; Q321-V324 PolarHBondContact O-N 2.97Å; Q321-L325 PolarHBondContact O-N 3.48Å |
| 322 | S | 83.7 | Confident | 78.3 | Confident | 60 Ų | 60 | 97 Ų | 97 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 172.5 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | E318 I319 L325 D326 | E318-S322 VanDerWaalsContact O-CB 3.25Å; E318-S322 WeakPolarHBondContact O-CB 3.45Å; E318-S322 PolarHBondContact O-N 3.32Å; I319-S322 PolarHBondContact O-N 2.96Å; S322-L325 PolarHBondContact O-N 3.15Å; S322-D326 WeakPolarHBondContact O-CB 3.49Å; S322-D326 VanDerWaalsContact O-CG 3.29Å; S322-D326 PolarHBondContact O-N 2.9Å |
| 323 | R | 89.9 | Confident | 80.5 | Confident | 165 Ų | 165 | 98.9 Ų | 98.9 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66 | -38.2 | 177 | -177.6 | 66.4 | 75.8 | 146.5 | 8.1 | 112 | I319 A320 Q321 L327 | I319-R323 WeakPolarHBondContact O-CB 3.46Å; I319-R323 PolarHBondContact O-N 2.89Å; A320-R323 WeakPolarHBondContact O-CB 3.33Å; A320-R323 PolarHBondContact O-N 2.78Å; Q321-R323 VanDerWaalsContact C-N 3.3Å; Q321-R323 PolarHBondContact O-N 3.44Å; R323-L327 HydrophobicContact CG-CD1 4.32Å; R323-L327 WeakPolarHBondContact O-CB 3.47Å; R323-L327 VanDerWaalsContact O-CG 3.29Å; R323-L327 WeakPolarHBondContact O-CG 3.25Å; R323-L327 PolarHBondContact O-N 3Å |
| 324 | V | 89.5 | Confident | 82.6 | Confident | 76 Ų | 76 | 97.5 Ų | 97.5 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 175 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | A320 Q321 D326 L327 E328 | A320-V324 WeakPolarHBondContact O-CG2 3.43Å; A320-V324 PolarHBondContact O-N 3.3Å; Q321-V324 PolarHBondContact O-N 2.97Å; V324-D326 VanDerWaalsContact C-N 3.34Å; V324-D326 PolarHBondContact O-N 3.14Å; V324-L327 PolarHBondContact O-N 3.25Å; V324-L327 VanDerWaalsContact O-N 3.15Å; V324-E328 HydrophobicContact CG1-CG 4.39Å; V324-E328 WeakPolarHBondContact O-CG 3.48Å; V324-E328 PolarHBondContact O-N 2.93Å |
| 325 | L | 89.2 | Confident | 84.4 | Confident | 111 Ų | 111 | 101 Ų | 101 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.4 | -39.6 | 175.6 | -76.6 | 168.3 | 0 | 0 | 0 | 112.8 | Q321 S322 E328 A329 | Q321-L325 PolarHBondContact O-N 3.48Å; S322-L325 PolarHBondContact O-N 3.15Å; L325-E328 PolarHBondContact O-N 2.92Å; L325-A329 WeakPolarHBondContact O-CB 3.36Å; L325-A329 PolarHBondContact O-N 3.37Å |
| 326 | D | 90.7 | Very high | 85.5 | Confident | 97 Ų | 97 | 100.2 Ų | 100.2 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 175.1 | -76.5 | -22.2 | 0 | 0 | 0 | 112.1 | S322 V324 R330 | S322-D326 WeakPolarHBondContact O-CB 3.49Å; S322-D326 VanDerWaalsContact O-CG 3.29Å; S322-D326 PolarHBondContact O-N 2.9Å; V324-D326 VanDerWaalsContact C-N 3.34Å; V324-D326 PolarHBondContact O-N 3.14Å; D326-R330 WeakPolarHBondContact O-CB 3.43Å; D326-R330 PolarHBondContact O-N 2.95Å |
| 327 | L | 88.7 | Confident | 86.8 | Confident | 85 Ų | 85 | 99.2 Ų | 99.2 | 45% | 0.445 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.4 | -40.7 | 177.1 | -73.9 | 172.9 | 0 | 0 | 0 | 111.5 | R323 V324 R330 C331 | R323-L327 HydrophobicContact CG-CD1 4.32Å; R323-L327 WeakPolarHBondContact O-CB 3.47Å; R323-L327 VanDerWaalsContact O-CG 3.29Å; R323-L327 WeakPolarHBondContact O-CG 3.25Å; R323-L327 PolarHBondContact O-N 3Å; V324-L327 PolarHBondContact O-N 3.25Å; V324-L327 VanDerWaalsContact O-N 3.15Å; L327-R330 PolarHBondContact O-N 3.47Å; L327-C331 PolarHBondContact O-N 2.83Å; L327-C331 PolarHBondContact O-SG 3.03Å; L327-C331 VanDerWaalsContact O-SG 3.4Å |
| 328 | E | 90.3 | Very high | 87.4 | Confident | 103 Ų | 103 | 97.3 Ų | 97.3 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 173.1 | -73.8 | 176.5 | 172.2 | 0 | 0 | 111.3 | V324 L325 R330 C331 N332 | V324-E328 HydrophobicContact CG1-CG 4.39Å; V324-E328 WeakPolarHBondContact O-CG 3.48Å; V324-E328 PolarHBondContact O-N 2.93Å; L325-E328 PolarHBondContact O-N 2.92Å; E328-R330 VanDerWaalsContact C-N 3.33Å; E328-R330 PolarHBondContact O-N 3.17Å; E328-C331 PolarHBondContact O-N 3Å; E328-N332 WeakPolarHBondContact O-CB 3.32Å; E328-N332 VanDerWaalsContact O-CG 3.24Å; E328-N332 PolarHBondContact O-N 3.12Å; E328-N332 PolarHBondContact O-ND2 3.28Å |
| 329 | A | 91 | Very high | 88 | Confident | 43 Ų | 43 | 94.3 Ų | 94.3 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L325 N332 Q333 | L325-A329 WeakPolarHBondContact O-CB 3.36Å; L325-A329 PolarHBondContact O-N 3.37Å; A329-N332 PolarHBondContact O-N 3.12Å; A329-Q333 WeakPolarHBondContact O-CB 3.38Å; A329-Q333 WeakPolarHBondContact O-CG 3.41Å; A329-Q333 PolarHBondContact O-N 2.94Å |
| 330 | R | 92.6 | Very high | 88.3 | Confident | 151 Ų | 151 | 95.4 Ų | 95.4 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.3 | -41.7 | 173.9 | -104.8 | 175.2 | 75.4 | -160 | 4.6 | 112.6 | D326 L327 E328 Q333 L334 | D326-R330 WeakPolarHBondContact O-CB 3.43Å; D326-R330 PolarHBondContact O-N 2.95Å; L327-R330 PolarHBondContact O-N 3.47Å; E328-R330 VanDerWaalsContact C-N 3.33Å; E328-R330 PolarHBondContact O-N 3.17Å; R330-Q333 PolarHBondContact O-N 2.87Å; R330-L334 WeakPolarHBondContact O-CB 3.41Å; R330-L334 WeakPolarHBondContact O-CG 3.5Å; R330-L334 PolarHBondContact O-N 2.81Å |
| 331 | C | 88 | Confident | 88.4 | Confident | 69 Ų | 69 | 97.3 Ų | 97.3 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 174.9 | -74.4 | 0 | 0 | 0 | 0 | 110.4 | L327 E328 Q333 L334 E335 | L327-C331 PolarHBondContact O-N 2.83Å; L327-C331 PolarHBondContact O-SG 3.03Å; L327-C331 VanDerWaalsContact O-SG 3.4Å; E328-C331 PolarHBondContact O-N 3Å; C331-Q333 VanDerWaalsContact C-N 3.34Å; C331-Q333 PolarHBondContact O-N 3.42Å; C331-L334 PolarHBondContact O-N 3.03Å; C331-L334 VanDerWaalsContact O-N 3.17Å; C331-E335 WeakPolarHBondContact O-CB 3.45Å; C331-E335 WeakPolarHBondContact O-CG 3.15Å; C331-E335 PolarHBondContact O-N 3.34Å |
| 332 | N | 90.5 | Very high | 88.4 | Confident | 102 Ų | 102 | 98.6 Ų | 98.6 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 176.8 | -68.7 | -26.5 | 0 | 0 | 0 | 112.6 | E328 A329 S336 | E328-N332 WeakPolarHBondContact O-CB 3.32Å; E328-N332 VanDerWaalsContact O-CG 3.24Å; E328-N332 PolarHBondContact O-N 3.12Å; E328-N332 PolarHBondContact O-ND2 3.28Å; A329-N332 PolarHBondContact O-N 3.12Å; N332-S336 WeakPolarHBondContact O-CB 3.36Å; N332-S336 PolarHBondContact O-N 3.21Å |
| 333 | Q | 91.7 | Very high | 88.1 | Confident | 133 Ų | 133 | 98.5 Ų | 98.5 | 62% | 0.621 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.9 | -42.3 | 174.2 | -77.8 | 175.8 | 7.4 | 0 | 0 | 112.3 | A329 R330 C331 S336 H337 | A329-Q333 WeakPolarHBondContact O-CB 3.38Å; A329-Q333 WeakPolarHBondContact O-CG 3.41Å; A329-Q333 PolarHBondContact O-N 2.94Å; R330-Q333 PolarHBondContact O-N 2.87Å; C331-Q333 VanDerWaalsContact C-N 3.34Å; C331-Q333 PolarHBondContact O-N 3.42Å; Q333-S336 PolarHBondContact O-N 3.39Å; Q333-H337 WeakPolarHBondContact O-CB 3.47Å; Q333-H337 PolarHBondContact O-N 3.28Å |
| 334 | L | 90 | Very high | 87.5 | Confident | 102 Ų | 102 | 92.8 Ų | 92.8 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 177.4 | -75.8 | 169.5 | 0 | 0 | 0 | 111.4 | R330 C331 H337 C338 | R330-L334 WeakPolarHBondContact O-CB 3.41Å; R330-L334 WeakPolarHBondContact O-CG 3.5Å; R330-L334 PolarHBondContact O-N 2.81Å; C331-L334 PolarHBondContact O-N 3.03Å; C331-L334 VanDerWaalsContact O-N 3.17Å; L334-H337 PolarHBondContact O-N 2.84Å; L334-C338 WeakPolarHBondContact O-CB 3.25Å; L334-C338 PolarHBondContact O-N 2.77Å; L334-C338 PolarHBondContact O-SG 3.05Å |
| 335 | E | 90.3 | Very high | 86.6 | Confident | 130 Ų | 130 | 94.9 Ų | 94.9 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 173.8 | -74.5 | 179.1 | -174.7 | 0 | 0 | 111.4 | C331 H337 C338 A339 | C331-E335 WeakPolarHBondContact O-CB 3.45Å; C331-E335 WeakPolarHBondContact O-CG 3.15Å; C331-E335 PolarHBondContact O-N 3.34Å; E335-H337 VanDerWaalsContact C-N 3.34Å; E335-H337 PolarHBondContact O-N 2.91Å; E335-C338 PolarHBondContact O-N 2.87Å; E335-A339 WeakPolarHBondContact O-CB 3.41Å; E335-A339 PolarHBondContact O-N 3.49Å |
| 336 | S | 88.8 | Confident | 85.7 | Confident | 62 Ų | 62 | 92.8 Ų | 92.8 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 173.7 | -169.7 | 0 | 0 | 0 | 0 | 112 | N332 Q333 A339 E340 | N332-S336 WeakPolarHBondContact O-CB 3.36Å; N332-S336 PolarHBondContact O-N 3.21Å; Q333-S336 PolarHBondContact O-N 3.39Å; S336-A339 PolarHBondContact O-N 3.27Å; S336-E340 WeakPolarHBondContact O-CB 3.29Å; S336-E340 WeakPolarHBondContact O-CG 3.4Å; S336-E340 PolarHBondContact O-N 3.24Å |
| 337 | H | 90.3 | Very high | 84.5 | Confident | 105 Ų | 105 | 95.3 Ų | 95.3 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 177.7 | -172.7 | -66.8 | 0 | 0 | 0 | 111.9 | Q333 L334 E335 E340 L341 | Q333-H337 WeakPolarHBondContact O-CB 3.47Å; Q333-H337 PolarHBondContact O-N 3.28Å; L334-H337 PolarHBondContact O-N 2.84Å; E335-H337 VanDerWaalsContact C-N 3.34Å; E335-H337 PolarHBondContact O-N 2.91Å; H337-E340 PolarHBondContact O-N 3.19Å; H337-L341 VanDerWaalsContact CE1-CD1 3.48Å; H337-L341 WeakPolarHBondContact CE1-CD1 3.44Å; H337-L341 WeakPolarHBondContact ND1-CD1 2.98Å; H337-L341 WeakPolarHBondContact O-CB 3.24Å; H337-L341 WeakPolarHBondContact O-CG 3.43Å; H337-L341 PolarHBondContact O-N 3.23Å |
| 338 | C | 86.3 | Confident | 83.2 | Confident | 67 Ų | 67 | 98.7 Ų | 98.7 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 172.6 | -73.7 | 0 | 0 | 0 | 0 | 110.8 | L334 E335 E340 L341 E342 | L334-C338 WeakPolarHBondContact O-CB 3.25Å; L334-C338 PolarHBondContact O-N 2.77Å; L334-C338 PolarHBondContact O-SG 3.05Å; E335-C338 PolarHBondContact O-N 2.87Å; C338-E340 PolarHBondContact O-N 3.44Å; C338-L341 PolarHBondContact O-N 2.92Å; C338-E342 WeakPolarHBondContact O-CB 3.48Å; C338-E342 WeakPolarHBondContact O-CG 3.39Å; C338-E342 PolarHBondContact O-N 3.22Å |
| 339 | A | 87.8 | Confident | 81.7 | Confident | 54 Ų | 54 | 95.9 Ų | 95.9 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E335 S336 E342 A343 | E335-A339 WeakPolarHBondContact O-CB 3.41Å; E335-A339 PolarHBondContact O-N 3.49Å; S336-A339 PolarHBondContact O-N 3.27Å; A339-E342 PolarHBondContact O-N 3.39Å; A339-A343 VanDerWaalsContact O-CB 3.31Å; A339-A343 WeakPolarHBondContact O-CB 3.27Å; A339-A343 PolarHBondContact O-N 2.87Å |
| 340 | E | 85.4 | Confident | 79.8 | Confident | 126 Ų | 126 | 103.4 Ų | 103.4 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 173.2 | -79.8 | 179 | -171.2 | 0 | 0 | 112.3 | S336 H337 C338 A343 A344 | S336-E340 WeakPolarHBondContact O-CB 3.29Å; S336-E340 WeakPolarHBondContact O-CG 3.4Å; S336-E340 PolarHBondContact O-N 3.24Å; H337-E340 PolarHBondContact O-N 3.19Å; C338-E340 PolarHBondContact O-N 3.44Å; E340-A343 PolarHBondContact O-N 2.95Å; E340-A344 VanDerWaalsContact O-CB 3.24Å; E340-A344 WeakPolarHBondContact O-CB 3.4Å; E340-A344 PolarHBondContact O-N 3.44Å |
| 341 | L | 80.8 | Confident | 77.9 | Confident | 90 Ų | 90 | 104.6 Ų | 104.6 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.3 | -43.3 | 174.7 | -82.6 | 175.3 | 0 | 0 | 0 | 111.5 | H337 C338 A344 L345 | H337-L341 VanDerWaalsContact CE1-CD1 3.48Å; H337-L341 WeakPolarHBondContact CE1-CD1 3.44Å; H337-L341 WeakPolarHBondContact ND1-CD1 2.98Å; H337-L341 WeakPolarHBondContact O-CB 3.24Å; H337-L341 WeakPolarHBondContact O-CG 3.43Å; H337-L341 PolarHBondContact O-N 3.23Å; C338-L341 PolarHBondContact O-N 2.92Å; L341-A344 PolarHBondContact O-N 3.39Å; L341-L345 WeakPolarHBondContact O-CB 3.46Å; L341-L345 VanDerWaalsContact O-CG 3.27Å; L341-L345 WeakPolarHBondContact O-CG 3.48Å; L341-L345 PolarHBondContact O-N 3.24Å |
| 342 | E | 79.9 | Confident | 76.2 | Confident | 139 Ų | 139 | 102.6 Ų | 102.6 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 175.3 | -75.7 | 178.8 | -179.1 | 0 | 0 | 111.3 | C338 A339 A344 L345 A346 | C338-E342 WeakPolarHBondContact O-CB 3.48Å; C338-E342 WeakPolarHBondContact O-CG 3.39Å; C338-E342 PolarHBondContact O-N 3.22Å; A339-E342 PolarHBondContact O-N 3.39Å; E342-A344 PolarHBondContact O-N 3.49Å; E342-L345 PolarHBondContact O-N 3.37Å; E342-A346 WeakPolarHBondContact O-CB 3.33Å; E342-A346 PolarHBondContact O-N 2.93Å |
| 343 | A | 79 | Confident | 74.3 | Confident | 58 Ų | 58 | 103.1 Ų | 103.1 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | A339 E340 A346 K347 | A339-A343 VanDerWaalsContact O-CB 3.31Å; A339-A343 WeakPolarHBondContact O-CB 3.27Å; A339-A343 PolarHBondContact O-N 2.87Å; E340-A343 PolarHBondContact O-N 2.95Å; A343-A346 PolarHBondContact O-N 3.23Å; A343-K347 WeakPolarHBondContact O-CB 3.28Å; A343-K347 PolarHBondContact O-N 2.99Å |
| 344 | A | 77.2 | Confident | 72.6 | Confident | 46 Ų | 46 | 100.3 Ų | 100.3 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E340 L341 E342 K347 K348 | E340-A344 VanDerWaalsContact O-CB 3.24Å; E340-A344 WeakPolarHBondContact O-CB 3.4Å; E340-A344 PolarHBondContact O-N 3.44Å; L341-A344 PolarHBondContact O-N 3.39Å; E342-A344 PolarHBondContact O-N 3.49Å; A344-K347 PolarHBondContact O-N 2.96Å; A344-K348 WeakPolarHBondContact O-CB 3.37Å; A344-K348 PolarHBondContact O-N 3.45Å |
| 345 | L | 70.9 | Confident | 71.2 | Confident | 119 Ų | 119 | 100.7 Ų | 100.7 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 172.9 | -74.6 | 172.9 | 0 | 0 | 0 | 111.2 | L341 E342 K348 G349 | L341-L345 WeakPolarHBondContact O-CB 3.46Å; L341-L345 VanDerWaalsContact O-CG 3.27Å; L341-L345 WeakPolarHBondContact O-CG 3.48Å; L341-L345 PolarHBondContact O-N 3.24Å; E342-L345 PolarHBondContact O-N 3.37Å; L345-K348 PolarHBondContact O-N 3.3Å; L345-G349 PolarHBondContact O-N 3.4Å |
| 346 | A | 69.6 | Low | 69.8 | Low | 68 Ų | 68 | 100.7 Ų | 100.7 | 56% | 0.562 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E342 A343 G349 Y350 | E342-A346 WeakPolarHBondContact O-CB 3.33Å; E342-A346 PolarHBondContact O-N 2.93Å; A343-A346 PolarHBondContact O-N 3.23Å; A346-G349 PolarHBondContact O-N 3.3Å; A346-Y350 PolarHBondContact O-N 2.97Å |
| 347 | K | 65.4 | Low | 68.6 | Low | 150 Ų | 150 | 101.6 Ų | 101.6 | 65% | 0.652 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 172.1 | -101.9 | -178.6 | 177.3 | 174.8 | 0 | 112.2 | A343 A344 G349 Y350 Y351 | A343-K347 WeakPolarHBondContact O-CB 3.28Å; A343-K347 PolarHBondContact O-N 2.99Å; A344-K347 PolarHBondContact O-N 2.96Å; K347-G349 VanDerWaalsContact C-N 3.27Å; K347-G349 PolarHBondContact O-N 2.91Å; K347-Y350 WeakPolarHBondContact O-CB 3Å; K347-Y350 PolarHBondContact O-N 3.18Å; K347-Y350 VanDerWaalsContact O-N 3.07Å; K347-Y351 WeakPolarHBondContact O-CD2 3.25Å; K347-Y351 PolarHBondContact O-N 3.4Å; K347-Y351 VanDerWaalsContact O-N 3.11Å |
| 348 | K | 61.5 | Low | 67.7 | Low | 156 Ų | 156 | 99 Ų | 99 | 68% | 0.678 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -33.1 | 175.1 | -83.7 | -173.7 | 175.5 | -179.5 | 0 | 112 | A344 L345 Y350 Y351 G352 | A344-K348 WeakPolarHBondContact O-CB 3.37Å; A344-K348 PolarHBondContact O-N 3.45Å; L345-K348 PolarHBondContact O-N 3.3Å; K348-Y350 VanDerWaalsContact C-N 3.27Å; K348-Y350 PolarHBondContact O-N 3.09Å; K348-Y351 PolarHBondContact O-N 3.29Å; K348-G352 PolarHBondContact O-N 2.96Å |
| 349 | G | 57.7 | Low | 67.1 | Low | 44 Ų | 44 | 99.6 Ų | 99.6 | 45% | 0.454 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.4 | -38.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L345 A346 K347 Q353 | L345-G349 PolarHBondContact O-N 3.4Å; A346-G349 PolarHBondContact O-N 3.3Å; K347-G349 VanDerWaalsContact C-N 3.27Å; K347-G349 PolarHBondContact O-N 2.91Å; G349-Q353 PolarHBondContact O-N 2.91Å; G349-Q353 VanDerWaalsContact O-N 3.16Å |
| 350 | Y | 53 | Low | 66.4 | Low | 201 Ų | 201 | 100.7 Ų | 100.7 | 79% | 0.788 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.6 | -41.8 | 178.4 | -137.1 | -92.1 | 0 | 0 | 0 | 113.1 | A346 K347 K348 | A346-Y350 PolarHBondContact O-N 2.97Å; K347-Y350 WeakPolarHBondContact O-CB 3Å; K347-Y350 PolarHBondContact O-N 3.18Å; K347-Y350 VanDerWaalsContact O-N 3.07Å; K348-Y350 VanDerWaalsContact C-N 3.27Å; K348-Y350 PolarHBondContact O-N 3.09Å |
| 351 | Y | 51.4 | Low | 66 | Low | 175 Ų | 175 | 101 Ų | 101 | 69% | 0.686 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.4 | -34.7 | 174.3 | -75.4 | -77.6 | 0 | 0 | 0 | 112.4 | K347 K348 Q353 S354 D355 | K347-Y351 WeakPolarHBondContact O-CD2 3.25Å; K347-Y351 PolarHBondContact O-N 3.4Å; K347-Y351 VanDerWaalsContact O-N 3.11Å; K348-Y351 PolarHBondContact O-N 3.29Å; Y351-Q353 VanDerWaalsContact C-N 3.31Å; Y351-Q353 PolarHBondContact O-N 3.28Å; Y351-S354 PolarHBondContact O-N 2.96Å; Y351-D355 PolarHBondContact O-N 3.38Å |
| 352 | G | 52.2 | Low | 66.1 | Low | 28 Ų | 28 | 103.7 Ų | 103.7 | 29% | 0.289 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.8 | -28.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K348 K356 | K348-G352 PolarHBondContact O-N 2.96Å; G352-K356 VanDerWaalsContact O-CB 3.27Å; G352-K356 WeakPolarHBondContact O-CB 3.35Å; G352-K356 WeakPolarHBondContact O-CG 3.36Å; G352-K356 PolarHBondContact O-N 2.74Å |
| 353 | Q | 50.2 | Low | 66 | Low | 112 Ų | 112 | 101.9 Ų | 101.9 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.7 | -35.8 | 175.9 | -153 | 78.7 | 4.8 | 0 | 0 | 111.7 | G349 Y351 N357 | G349-Q353 PolarHBondContact O-N 2.91Å; G349-Q353 VanDerWaalsContact O-N 3.16Å; Y351-Q353 VanDerWaalsContact C-N 3.31Å; Y351-Q353 PolarHBondContact O-N 3.28Å; Q353-N357 VanDerWaalsContact O-CB 3.3Å; Q353-N357 WeakPolarHBondContact O-CB 3.45Å; Q353-N357 PolarHBondContact O-N 2.86Å; Q353-N357 PolarHBondContact O-ND2 3.5Å; Q353-N357 PolarHBondContact O-OD1 3.29Å |
| 354 | S | 57.9 | Low | 66.1 | Low | 75 Ų | 75 | 104.7 Ų | 104.7 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 175.3 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | Y351 N357 A358 | Y351-S354 PolarHBondContact O-N 2.96Å; S354-N357 PolarHBondContact O-N 3.48Å; S354-A358 WeakPolarHBondContact O-CB 3.42Å; S354-A358 PolarHBondContact O-N 2.9Å |
| 355 | D | 59.2 | Low | 66.3 | Low | 109 Ų | 109 | 105.3 Ų | 105.3 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.4 | -37.9 | 176.3 | -79.8 | -19.5 | 0 | 0 | 0 | 111.7 | Y351 N357 A358 V359 | Y351-D355 PolarHBondContact O-N 3.38Å; D355-N357 VanDerWaalsContact C-N 3.34Å; D355-N357 PolarHBondContact O-N 3.16Å; D355-A358 PolarHBondContact O-N 3.09Å; D355-V359 VanDerWaalsContact O-CB 3.29Å; D355-V359 WeakPolarHBondContact O-CB 3.16Å; D355-V359 WeakPolarHBondContact O-CG2 3.16Å; D355-V359 PolarHBondContact O-N 3.15Å |
| 356 | K | 60.9 | Low | 66.9 | Low | 131 Ų | 131 | 102.5 Ų | 102.5 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 170.8 | -79.1 | 177.1 | -178.6 | -177.9 | 0 | 111.5 | G352 A358 V359 I360 | G352-K356 VanDerWaalsContact O-CB 3.27Å; G352-K356 WeakPolarHBondContact O-CB 3.35Å; G352-K356 WeakPolarHBondContact O-CG 3.36Å; G352-K356 PolarHBondContact O-N 2.74Å; K356-A358 VanDerWaalsContact C-N 3.35Å; K356-V359 CarbonylContact O-C 3.54Å; K356-V359 PolarHBondContact O-N 3.46Å; K356-I360 VanDerWaalsContact O-CB 3.26Å; K356-I360 WeakPolarHBondContact O-CB 3.36Å; K356-I360 WeakPolarHBondContact O-CD1 3.38Å; K356-I360 WeakPolarHBondContact O-CG1 3.48Å; K356-I360 PolarHBondContact O-N 3.41Å |
| 357 | N | 63.6 | Low | 67.4 | Low | 81 Ų | 81 | 102.8 Ų | 102.8 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 177.4 | -71 | -10.7 | 0 | 0 | 0 | 111.9 | Q353 S354 D355 Q361 | Q353-N357 VanDerWaalsContact O-CB 3.3Å; Q353-N357 WeakPolarHBondContact O-CB 3.45Å; Q353-N357 PolarHBondContact O-N 2.86Å; Q353-N357 PolarHBondContact O-ND2 3.5Å; Q353-N357 PolarHBondContact O-OD1 3.29Å; S354-N357 PolarHBondContact O-N 3.48Å; D355-N357 VanDerWaalsContact C-N 3.34Å; D355-N357 PolarHBondContact O-N 3.16Å; N357-Q361 WeakPolarHBondContact O-CB 3.34Å; N357-Q361 WeakPolarHBondContact O-CG 3.47Å; N357-Q361 PolarHBondContact O-N 3.32Å |
| 358 | A | 71.6 | Confident | 68.1 | Low | 49 Ų | 49 | 98.1 Ų | 98.1 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.9 | -39.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S354 D355 K356 Q361 K362 | S354-A358 WeakPolarHBondContact O-CB 3.42Å; S354-A358 PolarHBondContact O-N 2.9Å; D355-A358 PolarHBondContact O-N 3.09Å; K356-A358 VanDerWaalsContact C-N 3.35Å; A358-Q361 PolarHBondContact O-N 3.38Å; A358-K362 WeakPolarHBondContact O-CB 3.42Å; A358-K362 PolarHBondContact O-N 3.28Å |
| 359 | V | 74.7 | Confident | 69.1 | Low | 80 Ų | 80 | 99.4 Ų | 99.4 | 49% | 0.485 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 173.9 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | D355 K356 K362 L363 | D355-V359 VanDerWaalsContact O-CB 3.29Å; D355-V359 WeakPolarHBondContact O-CB 3.16Å; D355-V359 WeakPolarHBondContact O-CG2 3.16Å; D355-V359 PolarHBondContact O-N 3.15Å; K356-V359 CarbonylContact O-C 3.54Å; K356-V359 PolarHBondContact O-N 3.46Å; V359-K362 CarbonylContact O-C 3.56Å; V359-K362 WeakPolarHBondContact O-CB 3.45Å; V359-K362 PolarHBondContact O-N 2.86Å; V359-L363 HydrophobicContact CG1-CD1 3.83Å; V359-L363 HydrophobicContact CG1-CG 4.23Å; V359-L363 WeakPolarHBondContact O-CB 3.45Å; V359-L363 WeakPolarHBondContact O-CG 3.49Å; V359-L363 PolarHBondContact O-N 3.39Å |
| 360 | I | 72.2 | Confident | 70.1 | Confident | 77 Ų | 77 | 104.8 Ų | 104.8 | 40% | 0.395 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 174.2 | -71.3 | 162.4 | 0 | 0 | 0 | 109.3 | K356 K362 L363 E364 | K356-I360 VanDerWaalsContact O-CB 3.26Å; K356-I360 WeakPolarHBondContact O-CB 3.36Å; K356-I360 WeakPolarHBondContact O-CD1 3.38Å; K356-I360 WeakPolarHBondContact O-CG1 3.48Å; K356-I360 PolarHBondContact O-N 3.41Å; I360-K362 VanDerWaalsContact C-N 3.3Å; I360-K362 PolarHBondContact O-N 3.38Å; I360-L363 CarbonylContact O-C 3.59Å; I360-L363 PolarHBondContact O-N 2.87Å; I360-E364 HydrophobicContact CG2-CG 4.1Å; I360-E364 WeakPolarHBondContact CG2-OE1 3.34Å; I360-E364 VanDerWaalsContact O-CB 3.29Å; I360-E364 WeakPolarHBondContact O-CB 3.37Å; I360-E364 WeakPolarHBondContact O-CG 3.49Å; I360-E364 PolarHBondContact O-N 3.19Å |
| 361 | Q | 77 | Confident | 71.2 | Confident | 133 Ų | 133 | 100.8 Ų | 100.8 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -36.8 | 173.9 | -82 | -179 | 7.8 | 0 | 0 | 112.8 | N357 A358 A365 | N357-Q361 WeakPolarHBondContact O-CB 3.34Å; N357-Q361 WeakPolarHBondContact O-CG 3.47Å; N357-Q361 PolarHBondContact O-N 3.32Å; A358-Q361 PolarHBondContact O-N 3.38Å; Q361-A365 WeakPolarHBondContact O-CB 3.46Å; Q361-A365 PolarHBondContact O-N 2.93Å |
| 362 | K | 82.2 | Confident | 72.4 | Confident | 147 Ų | 147 | 99.3 Ų | 99.3 | 64% | 0.639 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66 | -44.6 | 174.7 | -129.3 | 177.3 | -177.4 | -177.4 | 0 | 111.1 | A358 V359 I360 A365 D366 | A358-K362 WeakPolarHBondContact O-CB 3.42Å; A358-K362 PolarHBondContact O-N 3.28Å; V359-K362 CarbonylContact O-C 3.56Å; V359-K362 WeakPolarHBondContact O-CB 3.45Å; V359-K362 PolarHBondContact O-N 2.86Å; I360-K362 VanDerWaalsContact C-N 3.3Å; I360-K362 PolarHBondContact O-N 3.38Å; K362-A365 PolarHBondContact O-N 3.25Å; K362-D366 VanDerWaalsContact O-CB 3.27Å; K362-D366 WeakPolarHBondContact O-CB 3.3Å; K362-D366 PolarHBondContact O-N 2.9Å |
| 363 | L | 78.4 | Confident | 73.4 | Confident | 101 Ų | 101 | 102.1 Ų | 102.1 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -38 | 176.5 | -71.9 | 172 | 0 | 0 | 0 | 111.2 | V359 I360 D366 V367 | V359-L363 HydrophobicContact CG1-CD1 3.83Å; V359-L363 HydrophobicContact CG1-CG 4.23Å; V359-L363 WeakPolarHBondContact O-CB 3.45Å; V359-L363 WeakPolarHBondContact O-CG 3.49Å; V359-L363 PolarHBondContact O-N 3.39Å; I360-L363 CarbonylContact O-C 3.59Å; I360-L363 PolarHBondContact O-N 2.87Å; L363-D366 PolarHBondContact O-N 2.87Å; L363-V367 VanDerWaalsContact O-CB 3.24Å; L363-V367 WeakPolarHBondContact O-CB 3.46Å; L363-V367 WeakPolarHBondContact O-CG2 3.42Å; L363-V367 PolarHBondContact O-N 2.68Å |
| 364 | E | 80.5 | Confident | 74.1 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.1 | -41 | 174.1 | -74.7 | 171.3 | 169.1 | 0 | 0 | 111 | I360 A368 | I360-E364 HydrophobicContact CG2-CG 4.1Å; I360-E364 WeakPolarHBondContact CG2-OE1 3.34Å; I360-E364 VanDerWaalsContact O-CB 3.29Å; I360-E364 WeakPolarHBondContact O-CB 3.37Å; I360-E364 WeakPolarHBondContact O-CG 3.49Å; I360-E364 PolarHBondContact O-N 3.19Å; E364-A368 VanDerWaalsContact O-CB 3.28Å; E364-A368 WeakPolarHBondContact O-CB 3.39Å; E364-A368 PolarHBondContact O-N 3.43Å |
| 365 | A | 81.3 | Confident | 74.7 | Confident | 58 Ų | 58 | 105.4 Ų | 105.4 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q361 K362 A368 R369 | Q361-A365 WeakPolarHBondContact O-CB 3.46Å; Q361-A365 PolarHBondContact O-N 2.93Å; K362-A365 PolarHBondContact O-N 3.25Å; A365-A368 PolarHBondContact O-N 3.46Å; A365-R369 VanDerWaalsContact O-CB 3.25Å; A365-R369 WeakPolarHBondContact O-CB 3.49Å; A365-R369 PolarHBondContact O-N 3.05Å |
| 366 | D | 85.2 | Confident | 75 | Confident | 60 Ų | 60 | 106.3 Ų | 106.3 | 32% | 0.321 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 175.1 | -75.5 | -22.9 | 0 | 0 | 0 | 110.2 | K362 L363 R369 Y370 | K362-D366 VanDerWaalsContact O-CB 3.27Å; K362-D366 WeakPolarHBondContact O-CB 3.3Å; K362-D366 PolarHBondContact O-N 2.9Å; L363-D366 PolarHBondContact O-N 2.87Å; D366-R369 CarbonylContact O-C 3.56Å; D366-R369 WeakPolarHBondContact O-CB 3.48Å; D366-R369 PolarHBondContact O-N 3.19Å; D366-Y370 HydrophobicContact CB-CD2 4.32Å; D366-Y370 HydrophobicContact CB-CE2 4.03Å; D366-Y370 WeakPolarHBondContact O-CB 3.4Å; D366-Y370 WeakPolarHBondContact O-CD2 3.41Å; D366-Y370 VanDerWaalsContact O-CG 3.32Å; D366-Y370 PolarHBondContact O-N 2.94Å |
| 367 | V | 79 | Confident | 74.6 | Confident | 75 Ų | 75 | 104.6 Ų | 104.6 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 173.9 | 168 | 0 | 0 | 0 | 0 | 110.5 | L363 R369 Y370 E371 | L363-V367 VanDerWaalsContact O-CB 3.24Å; L363-V367 WeakPolarHBondContact O-CB 3.46Å; L363-V367 WeakPolarHBondContact O-CG2 3.42Å; L363-V367 PolarHBondContact O-N 2.68Å; V367-R369 VanDerWaalsContact C-N 3.27Å; V367-R369 PolarHBondContact O-N 3.11Å; V367-Y370 CarbonylContact O-C 3.58Å; V367-Y370 PolarHBondContact O-N 3.34Å; V367-Y370 VanDerWaalsContact O-N 3.15Å; V367-E371 HydrophobicContact CG1-CG 4.31Å; V367-E371 WeakPolarHBondContact O-CB 3.48Å; V367-E371 VanDerWaalsContact O-CG 3.31Å; V367-E371 WeakPolarHBondContact O-CG 3.28Å; V367-E371 PolarHBondContact O-N 3.5Å |
| 368 | A | 81 | Confident | 74.2 | Confident | 51 Ų | 51 | 106 Ų | 106 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E364 A365 E371 Q372 | E364-A368 VanDerWaalsContact O-CB 3.28Å; E364-A368 WeakPolarHBondContact O-CB 3.39Å; E364-A368 PolarHBondContact O-N 3.43Å; A365-A368 PolarHBondContact O-N 3.46Å; A368-E371 PolarHBondContact O-N 3.2Å; A368-Q372 WeakPolarHBondContact O-CB 3.35Å; A368-Q372 PolarHBondContact O-N 3.01Å |
| 369 | R | 82.9 | Confident | 73.5 | Confident | 183 Ų | 183 | 108 Ų | 108 | 69% | 0.691 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.6 | -41.3 | 175.2 | -167.5 | -178.3 | 175.6 | -151.7 | -3.1 | 111.6 | A365 D366 V367 Q372 E373 | A365-R369 VanDerWaalsContact O-CB 3.25Å; A365-R369 WeakPolarHBondContact O-CB 3.49Å; A365-R369 PolarHBondContact O-N 3.05Å; D366-R369 CarbonylContact O-C 3.56Å; D366-R369 WeakPolarHBondContact O-CB 3.48Å; D366-R369 PolarHBondContact O-N 3.19Å; V367-R369 VanDerWaalsContact C-N 3.27Å; V367-R369 PolarHBondContact O-N 3.11Å; R369-Q372 PolarHBondContact O-N 3.44Å; R369-E373 WeakPolarHBondContact O-CB 3.31Å; R369-E373 PolarHBondContact O-N 3.02Å |
| 370 | Y | 78.8 | Confident | 72.1 | Confident | 157 Ų | 157 | 108 Ų | 108 | 62% | 0.616 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66 | -37.9 | 174.2 | -72 | -54.3 | 0 | 0 | 0 | 111.7 | D366 V367 E373 L374 | D366-Y370 HydrophobicContact CB-CD2 4.32Å; D366-Y370 HydrophobicContact CB-CE2 4.03Å; D366-Y370 WeakPolarHBondContact O-CB 3.4Å; D366-Y370 WeakPolarHBondContact O-CD2 3.41Å; D366-Y370 VanDerWaalsContact O-CG 3.32Å; D366-Y370 PolarHBondContact O-N 2.94Å; V367-Y370 CarbonylContact O-C 3.58Å; V367-Y370 PolarHBondContact O-N 3.34Å; V367-Y370 VanDerWaalsContact O-N 3.15Å; Y370-E373 PolarHBondContact O-N 2.94Å; Y370-L374 VanDerWaalsContact O-CB 3.29Å; Y370-L374 WeakPolarHBondContact O-CB 3.49Å; Y370-L374 PolarHBondContact O-N 3.29Å |
| 371 | E | 75.6 | Confident | 70.7 | Confident | 117 Ų | 117 | 111.4 Ų | 111.4 | 55% | 0.547 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 173.9 | -75.2 | 178.7 | 174 | 0 | 0 | 112 | V367 A368 L374 K375 | V367-E371 HydrophobicContact CG1-CG 4.31Å; V367-E371 WeakPolarHBondContact O-CB 3.48Å; V367-E371 VanDerWaalsContact O-CG 3.31Å; V367-E371 WeakPolarHBondContact O-CG 3.28Å; V367-E371 PolarHBondContact O-N 3.5Å; A368-E371 PolarHBondContact O-N 3.2Å; E371-L374 PolarHBondContact O-N 3.11Å; E371-K375 PolarHBondContact O-N 3.37Å |
| 372 | Q | 76.3 | Confident | 69.4 | Low | 145 Ų | 145 | 116.4 Ų | 116.4 | 68% | 0.678 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.9 | -40.2 | 175.7 | -158.4 | 177 | 29.9 | 0 | 0 | 111.6 | A368 R369 K375 R376 | A368-Q372 WeakPolarHBondContact O-CB 3.35Å; A368-Q372 PolarHBondContact O-N 3.01Å; R369-Q372 PolarHBondContact O-N 3.44Å; Q372-K375 PolarHBondContact O-N 2.98Å; Q372-R376 PolarHBondContact O-N 3.27Å |
| 373 | E | 72.7 | Confident | 67.5 | Low | 87 Ų | 87 | 116.2 Ų | 116.2 | 41% | 0.407 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.1 | -37.3 | 173.8 | -165.5 | 61.9 | -155.3 | 0 | 0 | 111.4 | R369 Y370 R376 M377 | R369-E373 WeakPolarHBondContact O-CB 3.31Å; R369-E373 PolarHBondContact O-N 3.02Å; Y370-E373 PolarHBondContact O-N 2.94Å; E373-R376 CarbonylContact O-C 3.58Å; E373-R376 WeakPolarHBondContact O-CB 3.47Å; E373-R376 PolarHBondContact O-N 3.43Å; E373-R376 VanDerWaalsContact O-N 3.14Å; E373-R376 IonicContact OE1-CZ 3.39Å; E373-R376 VanDerWaalsContact OE1-CZ 3.27Å; E373-R376 IonicContact OE1-NE 3.2Å; E373-R376 PolarHBondContact OE1-NE 2.71Å; E373-R376 IonicContact OE1-NH2 3.55Å; E373-R376 PolarHBondContact OE1-NH2 3.3Å; E373-R376 IonicContact OE2-NE 3.27Å; E373-R376 PolarHBondContact OE2-NE 2.93Å; E373-M377 WeakPolarHBondContact O-CB 3.17Å; E373-M377 VanDerWaalsContact O-CG 3.28Å; E373-M377 WeakPolarHBondContact O-CG 3.35Å; E373-M377 PolarHBondContact O-N 3.03Å |
| 374 | L | 64.6 | Low | 66 | Low | 105 Ų | 105 | 116.4 Ų | 116.4 | 55% | 0.55 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.5 | -43.9 | 172.2 | -108.1 | 152.4 | 0 | 0 | 0 | 111.6 | Y370 E371 R376 M377 Q378 | Y370-L374 VanDerWaalsContact O-CB 3.29Å; Y370-L374 WeakPolarHBondContact O-CB 3.49Å; Y370-L374 PolarHBondContact O-N 3.29Å; E371-L374 PolarHBondContact O-N 3.11Å; L374-R376 VanDerWaalsContact C-N 3.31Å; L374-R376 PolarHBondContact O-N 3.05Å; L374-M377 PolarHBondContact O-N 3.3Å; L374-Q378 WeakPolarHBondContact O-CB 3.22Å; L374-Q378 WeakPolarHBondContact O-CG 3.46Å; L374-Q378 PolarHBondContact O-N 2.89Å |
| 375 | K | 70.2 | Confident | 64.3 | Low | 151 Ų | 151 | 115.8 Ų | 115.8 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.9 | -38.3 | 172.7 | -83 | 177.1 | 177.4 | 169.1 | 0 | 112.3 | E371 Q372 Q378 S379 | E371-K375 PolarHBondContact O-N 3.37Å; Q372-K375 PolarHBondContact O-N 2.98Å; K375-Q378 PolarHBondContact O-N 3.36Å; K375-S379 PolarHBondContact O-N 3.49Å; K375-S379 VanDerWaalsContact O-N 3.09Å |
| 376 | R | 65.4 | Low | 62.6 | Low | 127 Ų | 127 | 121 Ų | 121 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.2 | -40.6 | 176 | -153.3 | -176.5 | 72.3 | 77.4 | 4.5 | 111.4 | Q372 E373 L374 S379 N380 | Q372-R376 PolarHBondContact O-N 3.27Å; E373-R376 CarbonylContact O-C 3.58Å; E373-R376 WeakPolarHBondContact O-CB 3.47Å; E373-R376 PolarHBondContact O-N 3.43Å; E373-R376 VanDerWaalsContact O-N 3.14Å; E373-R376 IonicContact OE1-CZ 3.39Å; E373-R376 VanDerWaalsContact OE1-CZ 3.27Å; E373-R376 IonicContact OE1-NE 3.2Å; E373-R376 PolarHBondContact OE1-NE 2.71Å; E373-R376 IonicContact OE1-NH2 3.55Å; E373-R376 PolarHBondContact OE1-NH2 3.3Å; E373-R376 IonicContact OE2-NE 3.27Å; E373-R376 PolarHBondContact OE2-NE 2.93Å; L374-R376 VanDerWaalsContact C-N 3.31Å; L374-R376 PolarHBondContact O-N 3.05Å; R376-S379 PolarHBondContact O-N 3.37Å; R376-S379 PolarHBondContact O-OG 2.94Å; R376-N380 PolarHBondContact O-N 3.26Å |
| 377 | M | 52.9 | Low | 60.8 | Low | 95 Ų | 95 | 122.9 Ų | 122.9 | 47% | 0.468 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.3 | -39.4 | 176.1 | -69.9 | -65 | -69.4 | 0 | 0 | 112.2 | E373 L374 S379 N380 | E373-M377 WeakPolarHBondContact O-CB 3.17Å; E373-M377 VanDerWaalsContact O-CG 3.28Å; E373-M377 WeakPolarHBondContact O-CG 3.35Å; E373-M377 PolarHBondContact O-N 3.03Å; L374-M377 PolarHBondContact O-N 3.3Å; M377-S379 VanDerWaalsContact C-N 3.27Å; M377-S379 PolarHBondContact O-N 3.47Å; M377-N380 WeakPolarHBondContact O-CA 3.4Å; M377-N380 PolarHBondContact O-N 3.48Å |
| 378 | Q | 55.7 | Low | 59.4 | Low | 110 Ų | 110 | 121.2 Ų | 121.2 | 51% | 0.514 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.2 | -35 | 172.4 | -78.9 | 178.9 | -20.7 | 0 | 0 | 112 | L374 K375 N380 E381 | L374-Q378 WeakPolarHBondContact O-CB 3.22Å; L374-Q378 WeakPolarHBondContact O-CG 3.46Å; L374-Q378 PolarHBondContact O-N 2.89Å; K375-Q378 PolarHBondContact O-N 3.36Å; Q378-N380 PolarHBondContact O-N 2.93Å; Q378-E381 WeakPolarHBondContact O-CB 3.3Å; Q378-E381 WeakPolarHBondContact O-CG 3.4Å; Q378-E381 PolarHBondContact O-N 3.17Å |
| 379 | S | 56.5 | Low | 58.2 | Low | 91 Ų | 91 | 122.4 Ų | 122.4 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -13 | 173.9 | 69.7 | 0 | 0 | 0 | 0 | 114.6 | K375 R376 M377 | K375-S379 PolarHBondContact O-N 3.49Å; K375-S379 VanDerWaalsContact O-N 3.09Å; R376-S379 PolarHBondContact O-N 3.37Å; R376-S379 PolarHBondContact O-OG 2.94Å; M377-S379 VanDerWaalsContact C-N 3.27Å; M377-S379 PolarHBondContact O-N 3.47Å |
| 380 | N | 46.3 | Very low | 57 | Low | 80 Ų | 80 | 117.2 Ų | 117.2 | 43% | 0.428 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.7 | 12.9 | 177.3 | -85.9 | -2.1 | 0 | 0 | 0 | 113.4 | R376 M377 Q378 R382 | R376-N380 PolarHBondContact O-N 3.26Å; M377-N380 WeakPolarHBondContact O-CA 3.4Å; M377-N380 PolarHBondContact O-N 3.48Å; Q378-N380 PolarHBondContact O-N 2.93Å; N380-R382 PolarHBondContact O-N 3.43Å |
| 381 | E | 43.2 | Very low | 56 | Low | 150 Ų | 150 | 113.4 Ų | 113.4 | 70% | 0.701 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 3 | -178.2 | -83.2 | 179.1 | 178.4 | 0 | 0 | 115.6 | Q378 | Q378-E381 WeakPolarHBondContact O-CB 3.3Å; Q378-E381 WeakPolarHBondContact O-CG 3.4Å; Q378-E381 PolarHBondContact O-N 3.17Å |
| 382 | R | 48.6 | Very low | 55.5 | Low | 238 Ų | 238 | 112.6 Ų | 112.6 | 90% | 0.898 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -12.3 | 178.7 | -75 | -172.5 | -175.8 | 179.6 | 2.7 | 115.9 | N380 | N380-R382 PolarHBondContact O-N 3.43Š|
| 383 | D | 43.4 | Very low | 55.3 | Low | 142 Ų | 142 | 111.5 Ų | 111.5 | 76% | 0.759 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -124.7 | 20.7 | -169.1 | -64.8 | -29.8 | 0 | 0 | 0 | 116.2 | ||
| 384 | F | 45.4 | Very low | 55.3 | Low | 105 Ų | 105 | 112.4 Ų | 112.4 | 46% | 0.461 | 59% | 0.585 | S | S | . | * | trans | -115.1 | 44.2 | 177.4 | -74.1 | -64.3 | 0 | 0 | 0 | 114.7 | D386 K387 | F384-D386 PolarHBondContact O-N 3.43Å; F384-K387 HydrophobicContact CD1-CB 4.28Å; F384-K387 HydrophobicContact CD1-CD 3.4Å; F384-K387 HydrophobicContact CD1-CG 3.74Å; F384-K387 HydrophobicContact CE1-CD 3.58Å; F384-K387 HydrophobicContact CE1-CG 4.27Å; F384-K387 HydrophobicContact CG-CD 4.34Å | ||
| 385 | A | 44.7 | Very low | 55.8 | Low | 104 Ų | 104 | 114.3 Ų | 114.3 | 86% | 0.86 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -11.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 386 | D | 47.4 | Very low | 56.2 | Low | 169 Ų | 169 | 112.9 Ų | 112.9 | 90% | 0.904 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 9 | -175.9 | -136.3 | 10.7 | 0 | 0 | 0 | 114.1 | F384 | F384-D386 PolarHBondContact O-N 3.43Š|
| 387 | K | 46.5 | Very low | 56.9 | Low | 99 Ų | 99 | 114.5 Ų | 114.5 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | trans | -107.3 | 7.2 | 172.3 | -74.2 | -169.6 | -177.4 | 169.1 | 0 | 113.9 | F384 A389 V390 V391 | F384-K387 HydrophobicContact CD1-CB 4.28Å; F384-K387 HydrophobicContact CD1-CD 3.4Å; F384-K387 HydrophobicContact CD1-CG 3.74Å; F384-K387 HydrophobicContact CE1-CD 3.58Å; F384-K387 HydrophobicContact CE1-CG 4.27Å; F384-K387 HydrophobicContact CG-CD 4.34Å; K387-A389 PolarHBondContact O-N 3.5Å; K387-A389 VanDerWaalsContact O-N 3.07Å; K387-V390 PolarHBondContact O-N 2.92Å; K387-V391 HydrophobicContact CB-CG2 4.13Å; K387-V391 WeakPolarHBondContact O-CG2 3.43Å; K387-V391 PolarHBondContact O-N 2.96Å | ||
| 388 | G | 50 | Low | 58.3 | Low | 39 Ų | 39 | 114.7 Ų | 114.7 | 40% | 0.402 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -49.6 | -38.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D392 | G388-D392 VanDerWaalsContact O-CB 3.23Å; G388-D392 WeakPolarHBondContact O-CB 3.39Å; G388-D392 PolarHBondContact O-N 3.06Å |
| 389 | A | 55.6 | Low | 59.8 | Low | 77 Ų | 77 | 116 Ų | 116 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.9 | -33 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K387 Q393 | K387-A389 PolarHBondContact O-N 3.5Å; K387-A389 VanDerWaalsContact O-N 3.07Å; A389-Q393 WeakPolarHBondContact O-CG 3.5Å; A389-Q393 PolarHBondContact O-N 3.3Å; A389-Q393 VanDerWaalsContact O-N 3.15Å |
| 390 | V | 56.5 | Low | 61.2 | Low | 74 Ų | 74 | 117 Ų | 117 | 45% | 0.448 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -77.9 | -40.1 | 176.5 | -178 | 0 | 0 | 0 | 0 | 110.2 | K387 Q393 E394 | K387-V390 PolarHBondContact O-N 2.92Å; V390-Q393 PolarHBondContact O-N 3.46Å; V390-E394 WeakPolarHBondContact O-CB 3.21Å; V390-E394 PolarHBondContact O-N 3.35Å |
| 391 | V | 58.5 | Low | 63.3 | Low | 77 Ų | 77 | 119 Ų | 119 | 47% | 0.467 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.8 | -41 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | K387 E394 Y395 | K387-V391 HydrophobicContact CB-CG2 4.13Å; K387-V391 WeakPolarHBondContact O-CG2 3.43Å; K387-V391 PolarHBondContact O-N 2.96Å; V391-E394 PolarHBondContact O-N 2.94Å; V391-Y395 WeakPolarHBondContact O-CB 3.37Å; V391-Y395 PolarHBondContact O-N 3.28Å |
| 392 | D | 65.7 | Low | 65.4 | Low | 99 Ų | 99 | 114 Ų | 114 | 53% | 0.529 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -39.8 | 173.2 | -84.2 | -15 | 0 | 0 | 0 | 111.6 | G388 Q396 | G388-D392 VanDerWaalsContact O-CB 3.23Å; G388-D392 WeakPolarHBondContact O-CB 3.39Å; G388-D392 PolarHBondContact O-N 3.06Å; D392-Q396 WeakPolarHBondContact O-CB 3.41Å; D392-Q396 VanDerWaalsContact O-CG 3.28Å; D392-Q396 WeakPolarHBondContact O-CG 3.32Å; D392-Q396 PolarHBondContact O-N 2.89Å |
| 393 | Q | 72.8 | Confident | 67.3 | Low | 123 Ų | 123 | 106.1 Ų | 106.1 | 58% | 0.575 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.1 | -43 | 174.4 | -81.3 | -175.6 | 1.4 | 0 | 0 | 112.3 | A389 V390 R397 | A389-Q393 WeakPolarHBondContact O-CG 3.5Å; A389-Q393 PolarHBondContact O-N 3.3Å; A389-Q393 VanDerWaalsContact O-N 3.15Å; V390-Q393 PolarHBondContact O-N 3.46Å; Q393-R397 WeakPolarHBondContact O-CB 3.49Å; Q393-R397 PolarHBondContact O-N 3.46Å |
| 394 | E | 71.7 | Confident | 69.6 | Low | 105 Ų | 105 | 105.3 Ų | 105.3 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 176 | -79.7 | 177.2 | 159.3 | 0 | 0 | 111.6 | V390 V391 R397 V398 | V390-E394 WeakPolarHBondContact O-CB 3.21Å; V390-E394 PolarHBondContact O-N 3.35Å; V391-E394 PolarHBondContact O-N 2.94Å; E394-R397 WeakPolarHBondContact O-CB 3.2Å; E394-R397 PolarHBondContact O-N 2.89Å; E394-R397 VanDerWaalsContact O-N 3.13Å; E394-V398 WeakPolarHBondContact O-CG2 3.38Å; E394-V398 PolarHBondContact O-N 2.91Å |
| 395 | Y | 74.9 | Confident | 71.8 | Confident | 145 Ų | 145 | 105.1 Ų | 105.1 | 57% | 0.569 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.7 | -46.7 | 174.3 | 176.5 | -98.6 | 0 | 0 | 0 | 111 | V391 R397 V398 R399 | V391-Y395 WeakPolarHBondContact O-CB 3.37Å; V391-Y395 PolarHBondContact O-N 3.28Å; Y395-R397 VanDerWaalsContact C-N 3.31Å; Y395-R397 PolarHBondContact O-N 3.2Å; Y395-V398 PolarHBondContact O-N 2.89Å; Y395-R399 WeakPolarHBondContact O-CB 3.44Å; Y395-R399 PolarHBondContact O-N 3.21Å |
| 396 | Q | 79.1 | Confident | 74.1 | Confident | 121 Ų | 121 | 106.6 Ų | 106.6 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.8 | -40 | 173.9 | -76.4 | -171.1 | 12.8 | 0 | 0 | 111.7 | D392 R399 L400 | D392-Q396 WeakPolarHBondContact O-CB 3.41Å; D392-Q396 VanDerWaalsContact O-CG 3.28Å; D392-Q396 WeakPolarHBondContact O-CG 3.32Å; D392-Q396 PolarHBondContact O-N 2.89Å; Q396-R399 PolarHBondContact O-N 3.12Å; Q396-L400 VanDerWaalsContact O-CB 3.3Å; Q396-L400 WeakPolarHBondContact O-CB 3.47Å; Q396-L400 WeakPolarHBondContact O-CG 3.47Å; Q396-L400 PolarHBondContact O-N 2.9Å |
| 397 | R | 80.2 | Confident | 76.2 | Confident | 161 Ų | 161 | 104.2 Ų | 104.2 | 61% | 0.608 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -43.8 | 178.6 | -152.3 | -173.7 | -71.5 | 164.9 | -2.5 | 111.6 | Q393 E394 Y395 Q401 | Q393-R397 WeakPolarHBondContact O-CB 3.49Å; Q393-R397 PolarHBondContact O-N 3.46Å; E394-R397 WeakPolarHBondContact O-CB 3.2Å; E394-R397 PolarHBondContact O-N 2.89Å; E394-R397 VanDerWaalsContact O-N 3.13Å; Y395-R397 VanDerWaalsContact C-N 3.31Å; Y395-R397 PolarHBondContact O-N 3.2Å; R397-Q401 WeakPolarHBondContact O-CB 3.36Å; R397-Q401 PolarHBondContact O-N 3.35Å |
| 398 | V | 82.5 | Confident | 78.4 | Confident | 100 Ų | 100 | 103.2 Ų | 103.2 | 61% | 0.606 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.8 | -42.8 | 176.2 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | E394 Y395 Q401 A402 | E394-V398 WeakPolarHBondContact O-CG2 3.38Å; E394-V398 PolarHBondContact O-N 2.91Å; Y395-V398 PolarHBondContact O-N 2.89Å; V398-Q401 CarbonylContact O-C 3.58Å; V398-Q401 WeakPolarHBondContact O-CB 3.44Å; V398-Q401 PolarHBondContact O-N 2.91Å; V398-Q401 VanDerWaalsContact O-N 3.13Å; V398-A402 PolarHBondContact O-N 3.41Å |
| 399 | R | 86.4 | Confident | 80.4 | Confident | 137 Ų | 137 | 107.2 Ų | 107.2 | 52% | 0.517 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 176.4 | -180 | -179.5 | 168 | 174.3 | 0.5 | 111.4 | Y395 Q396 Q401 A402 E403 | Y395-R399 WeakPolarHBondContact O-CB 3.44Å; Y395-R399 PolarHBondContact O-N 3.21Å; Q396-R399 PolarHBondContact O-N 3.12Å; R399-Q401 PolarHBondContact O-N 3.39Å; R399-A402 PolarHBondContact O-N 3.43Å; R399-A402 VanDerWaalsContact O-N 3.17Å; R399-E403 HydrophobicContact CG-CG 4.47Å; R399-E403 IonicContact CZ-OE1 3.27Å; R399-E403 IonicContact NE-OE1 2.94Å; R399-E403 PolarHBondContact NE-OE1 2.91Å; R399-E403 IonicContact NH2-OE1 2.99Å; R399-E403 PolarHBondContact NH2-OE1 3.41Å; R399-E403 WeakPolarHBondContact O-CB 3.44Å; R399-E403 WeakPolarHBondContact O-CG 3.42Å; R399-E403 PolarHBondContact O-N 3.36Å |
| 400 | L | 85.4 | Confident | 82.2 | Confident | 112 Ų | 112 | 105.1 Ų | 105.1 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.9 | -35.2 | 174.4 | -74.3 | 169 | 0 | 0 | 0 | 111.7 | Q396 K404 | Q396-L400 VanDerWaalsContact O-CB 3.3Å; Q396-L400 WeakPolarHBondContact O-CB 3.47Å; Q396-L400 WeakPolarHBondContact O-CG 3.47Å; Q396-L400 PolarHBondContact O-N 2.9Å; L400-K404 VanDerWaalsContact O-CB 3.27Å; L400-K404 WeakPolarHBondContact O-CB 3.11Å; L400-K404 PolarHBondContact O-N 3.47Å |
| 401 | Q | 91.1 | Very high | 83.9 | Confident | 123 Ų | 123 | 107 Ų | 107 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.7 | -35.8 | 175.9 | -171.5 | 155.8 | -13 | 0 | 0 | 112.9 | R397 V398 R399 K404 L405 | R397-Q401 WeakPolarHBondContact O-CB 3.36Å; R397-Q401 PolarHBondContact O-N 3.35Å; V398-Q401 CarbonylContact O-C 3.58Å; V398-Q401 WeakPolarHBondContact O-CB 3.44Å; V398-Q401 PolarHBondContact O-N 2.91Å; V398-Q401 VanDerWaalsContact O-N 3.13Å; R399-Q401 PolarHBondContact O-N 3.39Å; Q401-K404 WeakPolarHBondContact O-CB 3.39Å; Q401-K404 PolarHBondContact O-N 2.88Å; Q401-L405 WeakPolarHBondContact O-CG 3.41Å; Q401-L405 PolarHBondContact O-N 2.84Å |
| 402 | A | 86.4 | Confident | 85.6 | Confident | 44 Ų | 44 | 108.8 Ų | 108.8 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.2 | -47.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | V398 R399 K404 L405 E406 | V398-A402 PolarHBondContact O-N 3.41Å; R399-A402 PolarHBondContact O-N 3.43Å; R399-A402 VanDerWaalsContact O-N 3.17Å; A402-K404 PolarHBondContact O-N 3.3Å; A402-L405 PolarHBondContact O-N 3.41Å; A402-L405 VanDerWaalsContact O-N 3.1Å; A402-E406 WeakPolarHBondContact O-CG 3.46Å; A402-E406 PolarHBondContact O-N 3.02Å |
| 403 | E | 88.6 | Confident | 87 | Confident | 73 Ų | 73 | 106.8 Ų | 106.8 | 34% | 0.341 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.9 | -38.4 | 173.5 | -72.5 | 173.6 | -173.6 | 0 | 0 | 110.9 | R399 E406 L407 | R399-E403 HydrophobicContact CG-CG 4.47Å; R399-E403 IonicContact CZ-OE1 3.27Å; R399-E403 IonicContact NE-OE1 2.94Å; R399-E403 PolarHBondContact NE-OE1 2.91Å; R399-E403 IonicContact NH2-OE1 2.99Å; R399-E403 PolarHBondContact NH2-OE1 3.41Å; R399-E403 WeakPolarHBondContact O-CB 3.44Å; R399-E403 WeakPolarHBondContact O-CG 3.42Å; R399-E403 PolarHBondContact O-N 3.36Å; E403-E406 PolarHBondContact O-N 3Å; E403-L407 WeakPolarHBondContact O-CB 3.28Å; E403-L407 VanDerWaalsContact O-CG 3.3Å; E403-L407 WeakPolarHBondContact O-CG 3.49Å; E403-L407 PolarHBondContact O-N 3.45Å |
| 404 | K | 92.6 | Very high | 88 | Confident | 125 Ų | 125 | 106.3 Ų | 106.3 | 54% | 0.543 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 173.3 | -175.4 | -176.2 | 177.6 | -164.5 | 0 | 112.5 | L400 Q401 A402 E406 L407 E408 | L400-K404 VanDerWaalsContact O-CB 3.27Å; L400-K404 WeakPolarHBondContact O-CB 3.11Å; L400-K404 PolarHBondContact O-N 3.47Å; Q401-K404 WeakPolarHBondContact O-CB 3.39Å; Q401-K404 PolarHBondContact O-N 2.88Å; A402-K404 PolarHBondContact O-N 3.3Å; K404-E406 VanDerWaalsContact C-N 3.33Å; K404-L407 PolarHBondContact O-N 2.82Å; K404-E408 WeakPolarHBondContact CE-OE1 3.48Å; K404-E408 IonicContact NZ-OE1 2.9Å; K404-E408 WeakPolarHBondContact O-CG 3.33Å; K404-E408 PolarHBondContact O-N 2.83Å |
| 405 | L | 91.9 | Very high | 89.1 | Confident | 100 Ų | 100 | 105.9 Ų | 105.9 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 177.8 | -72.9 | 174.1 | 0 | 0 | 0 | 112 | Q401 A402 E408 L409 | Q401-L405 WeakPolarHBondContact O-CG 3.41Å; Q401-L405 PolarHBondContact O-N 2.84Å; A402-L405 PolarHBondContact O-N 3.41Å; A402-L405 VanDerWaalsContact O-N 3.1Å; L405-E408 PolarHBondContact O-N 3.26Å; L405-L409 VanDerWaalsContact O-CB 3.26Å; L405-L409 WeakPolarHBondContact O-CB 3.49Å; L405-L409 PolarHBondContact O-N 2.99Å |
| 406 | E | 92.8 | Very high | 90.1 | Very high | 136 Ų | 136 | 103.3 Ų | 103.3 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 173.1 | -74.4 | 177.1 | 174.9 | 0 | 0 | 111.5 | A402 E403 K404 L409 G410 | A402-E406 WeakPolarHBondContact O-CG 3.46Å; A402-E406 PolarHBondContact O-N 3.02Å; E403-E406 PolarHBondContact O-N 3Å; K404-E406 VanDerWaalsContact C-N 3.33Å; E406-L409 PolarHBondContact O-N 3.27Å; E406-G410 PolarHBondContact O-N 2.92Å |
| 407 | L | 91.2 | Very high | 90.8 | Very high | 118 Ų | 118 | 103.9 Ų | 103.9 | 62% | 0.618 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 172.8 | -73.8 | 171.7 | 0 | 0 | 0 | 111.8 | E403 K404 G410 Q411 | E403-L407 WeakPolarHBondContact O-CB 3.28Å; E403-L407 VanDerWaalsContact O-CG 3.3Å; E403-L407 WeakPolarHBondContact O-CG 3.49Å; E403-L407 PolarHBondContact O-N 3.45Å; K404-L407 PolarHBondContact O-N 2.82Å; L407-G410 PolarHBondContact O-N 2.8Å; L407-Q411 WeakPolarHBondContact O-CB 3.36Å; L407-Q411 VanDerWaalsContact O-CG 3.26Å; L407-Q411 WeakPolarHBondContact O-CG 3.33Å; L407-Q411 PolarHBondContact O-N 3.32Å |
| 408 | E | 93.2 | Very high | 91.5 | Very high | 79 Ų | 79 | 98.2 Ų | 98.2 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 175 | -74 | 176 | -171.6 | 0 | 0 | 111.5 | K404 L405 Q411 K412 | K404-E408 WeakPolarHBondContact CE-OE1 3.48Å; K404-E408 IonicContact NZ-OE1 2.9Å; K404-E408 WeakPolarHBondContact O-CG 3.33Å; K404-E408 PolarHBondContact O-N 2.83Å; L405-E408 PolarHBondContact O-N 3.26Å; E408-Q411 PolarHBondContact O-N 2.7Å; E408-K412 WeakPolarHBondContact O-CB 3.42Å; E408-K412 WeakPolarHBondContact O-CG 3.45Å; E408-K412 PolarHBondContact O-N 2.88Å |
| 409 | L | 91 | Very high | 92.1 | Very high | 123 Ų | 123 | 98.5 Ų | 98.5 | 64% | 0.644 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.1 | -39.6 | 176.3 | -163.8 | 106.3 | 0 | 0 | 0 | 111.6 | L405 E406 K412 S413 | L405-L409 VanDerWaalsContact O-CB 3.26Å; L405-L409 WeakPolarHBondContact O-CB 3.49Å; L405-L409 PolarHBondContact O-N 2.99Å; E406-L409 PolarHBondContact O-N 3.27Å; L409-K412 PolarHBondContact O-N 2.69Å; L409-S413 WeakPolarHBondContact O-CB 3.45Å; L409-S413 PolarHBondContact O-N 3.26Å; L409-S413 PolarHBondContact O-OG 3.4Å |
| 410 | G | 92.8 | Very high | 92.5 | Very high | 32 Ų | 32 | 99.7 Ų | 99.7 | 33% | 0.33 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E406 L407 K412 S413 I414 | E406-G410 PolarHBondContact O-N 2.92Å; L407-G410 PolarHBondContact O-N 2.8Å; G410-K412 PolarHBondContact O-N 2.95Å; G410-S413 WeakPolarHBondContact O-CB 3.44Å; G410-S413 PolarHBondContact O-N 2.79Å; G410-I414 WeakPolarHBondContact O-CG1 3.4Å; G410-I414 PolarHBondContact O-N 3.17Å |
| 411 | Q | 93.9 | Very high | 92.9 | Very high | 114 Ų | 114 | 98.8 Ų | 98.8 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.3 | -73.2 | 170.7 | 8.7 | 0 | 0 | 111.7 | L407 E408 S413 I414 E415 | L407-Q411 WeakPolarHBondContact O-CB 3.36Å; L407-Q411 VanDerWaalsContact O-CG 3.26Å; L407-Q411 WeakPolarHBondContact O-CG 3.33Å; L407-Q411 PolarHBondContact O-N 3.32Å; E408-Q411 PolarHBondContact O-N 2.7Å; Q411-S413 VanDerWaalsContact C-N 3.32Å; Q411-S413 PolarHBondContact O-N 2.74Å; Q411-I414 PolarHBondContact O-N 2.78Å; Q411-E415 WeakPolarHBondContact O-CG 3.44Å; Q411-E415 PolarHBondContact O-N 2.93Å |
| 412 | K | 94.2 | Very high | 93.1 | Very high | 114 Ų | 114 | 101.1 Ų | 101.1 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 176.2 | -69.6 | -73.6 | 160.9 | -151.3 | 0 | 112.1 | E408 L409 G410 I414 E415 I416 | E408-K412 WeakPolarHBondContact O-CB 3.42Å; E408-K412 WeakPolarHBondContact O-CG 3.45Å; E408-K412 PolarHBondContact O-N 2.88Å; L409-K412 PolarHBondContact O-N 2.69Å; G410-K412 PolarHBondContact O-N 2.95Å; K412-I414 VanDerWaalsContact C-N 3.35Å; K412-E415 WeakPolarHBondContact CD-OE2 3.39Å; K412-E415 IonicContact NZ-OE1 3.55Å; K412-E415 IonicContact NZ-OE2 3.32Å; K412-E415 PolarHBondContact NZ-OE2 2.9Å; K412-E415 PolarHBondContact O-N 3.29Å; K412-I416 WeakPolarHBondContact O-CB 3.38Å; K412-I416 VanDerWaalsContact O-CG1 3.27Å; K412-I416 WeakPolarHBondContact O-CG1 3.4Å; K412-I416 PolarHBondContact O-N 3.25Å |
| 413 | S | 95 | Very high | 93.6 | Very high | 57 Ų | 57 | 103.4 Ų | 103.4 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 175 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | L409 G410 Q411 I416 Q417 | L409-S413 WeakPolarHBondContact O-CB 3.45Å; L409-S413 PolarHBondContact O-N 3.26Å; L409-S413 PolarHBondContact O-OG 3.4Å; G410-S413 WeakPolarHBondContact O-CB 3.44Å; G410-S413 PolarHBondContact O-N 2.79Å; Q411-S413 VanDerWaalsContact C-N 3.32Å; Q411-S413 PolarHBondContact O-N 2.74Å; S413-I416 PolarHBondContact O-N 3.01Å; S413-Q417 WeakPolarHBondContact O-CG 3.5Å; S413-Q417 PolarHBondContact O-N 3.36Å |
| 414 | I | 93.6 | Very high | 93.9 | Very high | 113 Ų | 113 | 103.2 Ų | 103.2 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.4 | -42.2 | 174.9 | -63.8 | 163.9 | 0 | 0 | 0 | 110.8 | G410 Q411 K412 I416 Q417 A418 | G410-I414 WeakPolarHBondContact O-CG1 3.4Å; G410-I414 PolarHBondContact O-N 3.17Å; Q411-I414 PolarHBondContact O-N 2.78Å; K412-I414 VanDerWaalsContact C-N 3.35Å; I414-I416 PolarHBondContact O-N 3.41Å; I414-Q417 PolarHBondContact O-N 3.06Å; I414-A418 WeakPolarHBondContact O-CB 3.32Å; I414-A418 PolarHBondContact O-N 2.89Å |
| 415 | E | 94.8 | Very high | 94 | Very high | 97 Ų | 97 | 101 Ų | 101 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.3 | -76.8 | 176.5 | -172.6 | 0 | 0 | 112 | Q411 K412 A418 L419 | Q411-E415 WeakPolarHBondContact O-CG 3.44Å; Q411-E415 PolarHBondContact O-N 2.93Å; K412-E415 WeakPolarHBondContact CD-OE2 3.39Å; K412-E415 IonicContact NZ-OE1 3.55Å; K412-E415 IonicContact NZ-OE2 3.32Å; K412-E415 PolarHBondContact NZ-OE2 2.9Å; K412-E415 PolarHBondContact O-N 3.29Å; E415-A418 PolarHBondContact O-N 3.49Å; E415-L419 WeakPolarHBondContact O-CG 3.49Å; E415-L419 PolarHBondContact O-N 3.03Å |
| 416 | I | 94.3 | Very high | 94.1 | Very high | 91 Ų | 91 | 98.7 Ų | 98.7 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.3 | -71.9 | 166.6 | 0 | 0 | 0 | 110.3 | K412 S413 I414 A418 L419 Y420 | K412-I416 WeakPolarHBondContact O-CB 3.38Å; K412-I416 VanDerWaalsContact O-CG1 3.27Å; K412-I416 WeakPolarHBondContact O-CG1 3.4Å; K412-I416 PolarHBondContact O-N 3.25Å; S413-I416 PolarHBondContact O-N 3.01Å; I414-I416 PolarHBondContact O-N 3.41Å; I416-A418 VanDerWaalsContact C-N 3.33Å; I416-A418 PolarHBondContact O-N 2.94Å; I416-L419 PolarHBondContact O-N 3.13Å; I416-Y420 HydrophobicContact CG2-CD2 3.73Å; I416-Y420 HydrophobicContact CG2-CE2 3.74Å; I416-Y420 WeakPolarHBondContact O-CD2 3.15Å; I416-Y420 PolarHBondContact O-N 3.24Å |
| 417 | Q | 94.4 | Very high | 94.2 | Very high | 132 Ų | 132 | 97.8 Ų | 97.8 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | 175.6 | -74.4 | 178.4 | -0.9 | 0 | 0 | 112 | S413 I414 L419 Y420 T421 | S413-Q417 WeakPolarHBondContact O-CG 3.5Å; S413-Q417 PolarHBondContact O-N 3.36Å; I414-Q417 PolarHBondContact O-N 3.06Å; Q417-L419 VanDerWaalsContact C-N 3.34Å; Q417-L419 PolarHBondContact O-N 3.23Å; Q417-Y420 WeakPolarHBondContact O-CB 3.43Å; Q417-Y420 PolarHBondContact O-N 3.13Å; Q417-T421 PolarHBondContact O-N 3.22Å; Q417-T421 PolarHBondContact O-OG1 3.43Å; Q417-T421 VanDerWaalsContact O-OG1 3.12Å |
| 418 | A | 94.8 | Very high | 94.4 | Very high | 42 Ų | 42 | 98.1 Ų | 98.1 | 35% | 0.347 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I414 E415 I416 T421 R422 | I414-A418 WeakPolarHBondContact O-CB 3.32Å; I414-A418 PolarHBondContact O-N 2.89Å; E415-A418 PolarHBondContact O-N 3.49Å; I416-A418 VanDerWaalsContact C-N 3.33Å; I416-A418 PolarHBondContact O-N 2.94Å; A418-T421 PolarHBondContact O-N 2.9Å; A418-R422 WeakPolarHBondContact O-CG 3.29Å; A418-R422 PolarHBondContact O-N 3.08Å |
| 419 | L | 95.3 | Very high | 94.3 | Very high | 106 Ų | 106 | 96.8 Ų | 96.8 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.1 | -39.5 | 173.4 | -73 | 174.5 | 0 | 0 | 0 | 112.2 | E415 I416 Q417 R422 L423 | E415-L419 WeakPolarHBondContact O-CG 3.49Å; E415-L419 PolarHBondContact O-N 3.03Å; I416-L419 PolarHBondContact O-N 3.13Å; Q417-L419 VanDerWaalsContact C-N 3.34Å; Q417-L419 PolarHBondContact O-N 3.23Å; L419-R422 PolarHBondContact O-N 2.82Å; L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 PolarHBondContact O-N 3.3Å |
| 420 | Y | 95.4 | Very high | 94.5 | Very high | 163 Ų | 163 | 93.6 Ų | 93.6 | 64% | 0.639 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.3 | -44.2 | 173.1 | -92.9 | -75 | 0 | 0 | 0 | 111.9 | I416 Q417 L423 S424 | I416-Y420 HydrophobicContact CG2-CD2 3.73Å; I416-Y420 HydrophobicContact CG2-CE2 3.74Å; I416-Y420 WeakPolarHBondContact O-CD2 3.15Å; I416-Y420 PolarHBondContact O-N 3.24Å; Q417-Y420 WeakPolarHBondContact O-CB 3.43Å; Q417-Y420 PolarHBondContact O-N 3.13Å; Y420-L423 PolarHBondContact O-N 3.21Å; Y420-S424 WeakPolarHBondContact O-CB 3.42Å; Y420-S424 PolarHBondContact O-N 3.35Å |
| 421 | T | 93.5 | Very high | 94.6 | Very high | 92 Ų | 92 | 94.7 Ų | 94.7 | 56% | 0.564 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.3 | -43.7 | 175 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | Q417 A418 L423 S424 T425 | Q417-T421 PolarHBondContact O-N 3.22Å; Q417-T421 PolarHBondContact O-OG1 3.43Å; Q417-T421 VanDerWaalsContact O-OG1 3.12Å; A418-T421 PolarHBondContact O-N 2.9Å; T421-L423 PolarHBondContact O-N 3.02Å; T421-S424 PolarHBondContact O-N 2.86Å; T421-T425 WeakPolarHBondContact O-CG2 3.5Å; T421-T425 PolarHBondContact O-N 3.45Å; T421-T425 PolarHBondContact O-OG1 3.43Å |
| 422 | R | 95.7 | Very high | 94.6 | Very high | 172 Ų | 172 | 92.2 Ų | 92.2 | 65% | 0.649 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62 | -43 | 176.3 | -76 | 175.3 | -179.4 | 165.4 | 1.7 | 112.6 | A418 L419 T425 A426 | A418-R422 WeakPolarHBondContact O-CG 3.29Å; A418-R422 PolarHBondContact O-N 3.08Å; L419-R422 PolarHBondContact O-N 2.82Å; R422-T425 WeakPolarHBondContact CA-OG1 3.42Å; R422-T425 PolarHBondContact O-N 3.16Å; R422-T425 PolarHBondContact O-OG1 3.1Å; R422-A426 WeakPolarHBondContact O-CB 3.27Å; R422-A426 PolarHBondContact O-N 2.89Å |
| 423 | L | 95.7 | Very high | 94.6 | Very high | 93 Ų | 93 | 93.8 Ų | 93.8 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 175.8 | -178.5 | 66.3 | 0 | 0 | 0 | 110.6 | L419 Y420 T421 T425 A426 E427 | L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 PolarHBondContact O-N 3.3Å; Y420-L423 PolarHBondContact O-N 3.21Å; T421-L423 PolarHBondContact O-N 3.02Å; L423-T425 VanDerWaalsContact C-N 3.33Å; L423-T425 PolarHBondContact O-N 2.94Å; L423-A426 PolarHBondContact O-N 3.15Å; L423-A426 VanDerWaalsContact O-N 3.1Å; L423-E427 HydrophobicContact CD1-CG 4.44Å; L423-E427 HydrophobicContact CG-CG 4.47Å; L423-E427 WeakPolarHBondContact O-CG 3.39Å; L423-E427 PolarHBondContact O-N 3.21Å |
| 424 | S | 96.1 | Very high | 94.7 | Very high | 69 Ų | 69 | 97.3 Ų | 97.3 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 176.9 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | Y420 T421 A426 E427 E428 | Y420-S424 WeakPolarHBondContact O-CB 3.42Å; Y420-S424 PolarHBondContact O-N 3.35Å; T421-S424 PolarHBondContact O-N 2.86Å; S424-A426 VanDerWaalsContact C-N 3.33Å; S424-A426 PolarHBondContact O-N 3.46Å; S424-E427 PolarHBondContact O-N 2.88Å; S424-E428 WeakPolarHBondContact O-CB 3.35Å; S424-E428 PolarHBondContact O-N 3.46Å |
| 425 | T | 94.2 | Very high | 94.8 | Very high | 78 Ų | 78 | 97 Ų | 97 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -33.7 | 177.2 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | T421 R422 L423 S429 | T421-T425 WeakPolarHBondContact O-CG2 3.5Å; T421-T425 PolarHBondContact O-N 3.45Å; T421-T425 PolarHBondContact O-OG1 3.43Å; R422-T425 WeakPolarHBondContact CA-OG1 3.42Å; R422-T425 PolarHBondContact O-N 3.16Å; R422-T425 PolarHBondContact O-OG1 3.1Å; L423-T425 VanDerWaalsContact C-N 3.33Å; L423-T425 PolarHBondContact O-N 2.94Å; T425-S429 PolarHBondContact O-N 3.47Å |
| 426 | A | 93.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 97.7 Ų | 97.7 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.6 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R422 L423 S424 S429 A430 | R422-A426 WeakPolarHBondContact O-CB 3.27Å; R422-A426 PolarHBondContact O-N 2.89Å; L423-A426 PolarHBondContact O-N 3.15Å; L423-A426 VanDerWaalsContact O-N 3.1Å; S424-A426 VanDerWaalsContact C-N 3.33Å; S424-A426 PolarHBondContact O-N 3.46Å; A426-S429 PolarHBondContact O-N 2.92Å; A426-S429 PolarHBondContact O-OG 2.95Å; A426-A430 WeakPolarHBondContact O-CB 3.47Å; A426-A430 PolarHBondContact O-N 3.13Å |
| 427 | E | 95.5 | Very high | 94.9 | Very high | 118 Ų | 118 | 98 Ų | 98 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | 174.8 | -73.1 | 177.4 | 166.1 | 0 | 0 | 112.1 | L423 S424 A430 S431 | L423-E427 HydrophobicContact CD1-CG 4.44Å; L423-E427 HydrophobicContact CG-CG 4.47Å; L423-E427 WeakPolarHBondContact O-CG 3.39Å; L423-E427 PolarHBondContact O-N 3.21Å; S424-E427 PolarHBondContact O-N 2.88Å; E427-A430 PolarHBondContact O-N 3.45Å; E427-S431 WeakPolarHBondContact O-CB 3.48Å; E427-S431 PolarHBondContact O-N 3.37Å |
| 428 | E | 95.1 | Very high | 95 | Very high | 125 Ų | 125 | 96.7 Ų | 96.7 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.1 | -48.2 | 174.4 | -172.9 | 169.3 | -159.7 | 0 | 0 | 111.1 | S424 A430 S431 D432 | S424-E428 WeakPolarHBondContact O-CB 3.35Å; S424-E428 PolarHBondContact O-N 3.46Å; E428-A430 VanDerWaalsContact C-N 3.31Å; E428-A430 PolarHBondContact O-N 3.24Å; E428-S431 WeakPolarHBondContact O-CB 3.44Å; E428-S431 PolarHBondContact O-N 2.93Å; E428-S431 VanDerWaalsContact O-N 3.14Å; E428-D432 PolarHBondContact O-N 3.31Å |
| 429 | S | 92.7 | Very high | 95 | Very high | 51 Ų | 51 | 99.8 Ų | 99.8 | 36% | 0.357 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 175.9 | 75.5 | 0 | 0 | 0 | 0 | 112.8 | T425 A426 D432 F433 | T425-S429 PolarHBondContact O-N 3.47Å; A426-S429 PolarHBondContact O-N 2.92Å; A426-S429 PolarHBondContact O-OG 2.95Å; S429-D432 PolarHBondContact O-N 3.01Å; S429-F433 WeakPolarHBondContact O-CD2 3.27Å; S429-F433 WeakPolarHBondContact O-CG 3.48Å; S429-F433 PolarHBondContact O-N 2.97Å |
| 430 | A | 93.9 | Very high | 95.1 | Very high | 56 Ų | 56 | 99.3 Ų | 99.3 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A426 E427 E428 K434 | A426-A430 WeakPolarHBondContact O-CB 3.47Å; A426-A430 PolarHBondContact O-N 3.13Å; E427-A430 PolarHBondContact O-N 3.45Å; E428-A430 VanDerWaalsContact C-N 3.31Å; E428-A430 PolarHBondContact O-N 3.24Å; A430-K434 WeakPolarHBondContact O-CB 3.34Å; A430-K434 PolarHBondContact O-N 2.98Å |
| 431 | S | 94.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 97.7 Ų | 97.7 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 172.4 | -175 | 0 | 0 | 0 | 0 | 111.3 | E427 E428 K434 K435 | E427-S431 WeakPolarHBondContact O-CB 3.48Å; E427-S431 PolarHBondContact O-N 3.37Å; E428-S431 WeakPolarHBondContact O-CB 3.44Å; E428-S431 PolarHBondContact O-N 2.93Å; E428-S431 VanDerWaalsContact O-N 3.14Å; S431-K434 WeakPolarHBondContact O-CB 3.44Å; S431-K434 PolarHBondContact O-N 2.99Å; S431-K435 WeakPolarHBondContact O-CG 3.48Å; S431-K435 PolarHBondContact O-N 3.38Å |
| 432 | D | 94.2 | Very high | 95.2 | Very high | 61 Ų | 61 | 99 Ų | 99 | 33% | 0.326 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.4 | -43 | 178 | -69.3 | -20 | 0 | 0 | 0 | 112.2 | E428 S429 K434 K435 H436 | E428-D432 PolarHBondContact O-N 3.31Å; S429-D432 PolarHBondContact O-N 3.01Å; D432-K434 PolarHBondContact O-N 2.88Å; D432-K435 PolarHBondContact O-N 3.02Å; D432-K435 VanDerWaalsContact O-N 3.17Å; D432-K435 IonicContact OD1-NZ 3.69Å; D432-K435 PolarHBondContact OD1-NZ 2.98Å; D432-H436 PolarHBondContact O-CD2 2.95Å; D432-H436 PolarHBondContact O-N 3.38Å |
| 433 | F | 94.4 | Very high | 95.2 | Very high | 148 Ų | 148 | 93.3 Ų | 93.3 | 65% | 0.649 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.8 | -37 | 171.5 | -71.4 | -54.5 | 0 | 0 | 0 | 112.5 | S429 H436 L437 | S429-F433 WeakPolarHBondContact O-CD2 3.27Å; S429-F433 WeakPolarHBondContact O-CG 3.48Å; S429-F433 PolarHBondContact O-N 2.97Å; F433-H436 PolarHBondContact O-N 2.91Å; F433-L437 WeakPolarHBondContact O-CB 3.45Å; F433-L437 PolarHBondContact O-N 3.5Å |
| 434 | K | 96.3 | Very high | 95.1 | Very high | 131 Ų | 131 | 92.9 Ų | 92.9 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.5 | -45.7 | 175.3 | -174 | -177 | 176 | -173.8 | 0 | 111.9 | A430 S431 D432 H436 L437 E438 | A430-K434 WeakPolarHBondContact O-CB 3.34Å; A430-K434 PolarHBondContact O-N 2.98Å; S431-K434 WeakPolarHBondContact O-CB 3.44Å; S431-K434 PolarHBondContact O-N 2.99Å; D432-K434 PolarHBondContact O-N 2.88Å; K434-H436 VanDerWaalsContact C-N 3.34Å; K434-H436 PolarHBondContact O-N 2.99Å; K434-L437 WeakPolarHBondContact O-CB 3.09Å; K434-L437 PolarHBondContact O-N 3.48Å; K434-E438 WeakPolarHBondContact CE-OE1 3.47Å; K434-E438 WeakPolarHBondContact O-CG 3.45Å; K434-E438 PolarHBondContact O-N 2.9Å |
| 435 | K | 97.2 | Very high | 95.1 | Very high | 107 Ų | 107 | 91.5 Ų | 91.5 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 174.8 | -65.7 | 170 | -160.6 | 155.9 | 0 | 111.2 | S431 D432 L437 E438 L439 | S431-K435 WeakPolarHBondContact O-CG 3.48Å; S431-K435 PolarHBondContact O-N 3.38Å; D432-K435 PolarHBondContact O-N 3.02Å; D432-K435 VanDerWaalsContact O-N 3.17Å; D432-K435 IonicContact OD1-NZ 3.69Å; D432-K435 PolarHBondContact OD1-NZ 2.98Å; K435-L437 VanDerWaalsContact C-N 3.33Å; K435-L437 PolarHBondContact O-N 3.2Å; K435-E438 PolarHBondContact O-N 3.19Å; K435-L439 WeakPolarHBondContact O-CG 3.42Å; K435-L439 PolarHBondContact O-N 3Å |
| 436 | H | 95.8 | Very high | 95.2 | Very high | 111 Ų | 111 | 91.2 Ų | 91.2 | 51% | 0.514 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 175.8 | -71.2 | -55.5 | 0 | 0 | 0 | 112.1 | D432 F433 K434 L439 V440 | D432-H436 PolarHBondContact O-CD2 2.95Å; D432-H436 PolarHBondContact O-N 3.38Å; F433-H436 PolarHBondContact O-N 2.91Å; K434-H436 VanDerWaalsContact C-N 3.34Å; K434-H436 PolarHBondContact O-N 2.99Å; H436-L439 PolarHBondContact O-N 3.06Å; H436-V440 VanDerWaalsContact O-CG2 3.3Å; H436-V440 WeakPolarHBondContact O-CG2 3.48Å; H436-V440 PolarHBondContact O-N 3.32Å |
| 437 | L | 95.2 | Very high | 95.2 | Very high | 96 Ų | 96 | 94.4 Ų | 94.4 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 175.4 | -176 | 66.5 | 0 | 0 | 0 | 112.1 | F433 K434 K435 V440 K441 | F433-L437 WeakPolarHBondContact O-CB 3.45Å; F433-L437 PolarHBondContact O-N 3.5Å; K434-L437 WeakPolarHBondContact O-CB 3.09Å; K434-L437 PolarHBondContact O-N 3.48Å; K435-L437 VanDerWaalsContact C-N 3.33Å; K435-L437 PolarHBondContact O-N 3.2Å; L437-V440 PolarHBondContact O-N 3.28Å; L437-K441 HydrophobicContact CG-CD 4.48Å; L437-K441 WeakPolarHBondContact O-CB 3.25Å; L437-K441 VanDerWaalsContact O-CG 3.28Å; L437-K441 WeakPolarHBondContact O-CG 3.39Å; L437-K441 PolarHBondContact O-N 3.08Å |
| 438 | E | 95.9 | Very high | 95.2 | Very high | 106 Ų | 106 | 93.8 Ų | 93.8 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -45 | 175 | -73.4 | 171.5 | -171 | 0 | 0 | 111.6 | K434 K435 V440 K441 E442 | K434-E438 WeakPolarHBondContact CE-OE1 3.47Å; K434-E438 WeakPolarHBondContact O-CG 3.45Å; K434-E438 PolarHBondContact O-N 2.9Å; K435-E438 PolarHBondContact O-N 3.19Å; E438-V440 VanDerWaalsContact C-N 3.35Å; E438-V440 PolarHBondContact O-N 3.36Å; E438-K441 WeakPolarHBondContact O-CB 3.28Å; E438-K441 PolarHBondContact O-N 3.33Å; E438-E442 PolarHBondContact O-N 3.04Å |
| 439 | L | 94.9 | Very high | 95.2 | Very high | 106 Ų | 106 | 93.5 Ų | 93.5 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | 174.5 | -72.7 | 172.6 | 0 | 0 | 0 | 112.5 | K435 H436 E442 S443 | K435-L439 WeakPolarHBondContact O-CG 3.42Å; K435-L439 PolarHBondContact O-N 3Å; H436-L439 PolarHBondContact O-N 3.06Å; L439-E442 PolarHBondContact O-N 2.97Å; L439-S443 VanDerWaalsContact O-CB 3.32Å; L439-S443 WeakPolarHBondContact O-CB 3.48Å; L439-S443 PolarHBondContact O-N 3.3Å |
| 440 | V | 96.9 | Very high | 95.4 | Very high | 96 Ų | 96 | 96.9 Ų | 96.9 | 58% | 0.582 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.7 | -39.3 | 176 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | H436 L437 E438 S443 N444 | H436-V440 VanDerWaalsContact O-CG2 3.3Å; H436-V440 WeakPolarHBondContact O-CG2 3.48Å; H436-V440 PolarHBondContact O-N 3.32Å; L437-V440 PolarHBondContact O-N 3.28Å; E438-V440 VanDerWaalsContact C-N 3.35Å; E438-V440 PolarHBondContact O-N 3.36Å; V440-S443 PolarHBondContact O-N 2.95Å; V440-N444 WeakPolarHBondContact O-CB 3.3Å; V440-N444 PolarHBondContact O-N 3.49Å |
| 441 | K | 97 | Very high | 95.4 | Very high | 130 Ų | 130 | 99.6 Ų | 99.6 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 175 | -76.8 | 173 | 177.8 | 179.7 | 0 | 111.9 | L437 E438 N444 A445 | L437-K441 HydrophobicContact CG-CD 4.48Å; L437-K441 WeakPolarHBondContact O-CB 3.25Å; L437-K441 VanDerWaalsContact O-CG 3.28Å; L437-K441 WeakPolarHBondContact O-CG 3.39Å; L437-K441 PolarHBondContact O-N 3.08Å; E438-K441 WeakPolarHBondContact O-CB 3.28Å; E438-K441 PolarHBondContact O-N 3.33Å; K441-N444 PolarHBondContact O-N 3.32Å; K441-A445 WeakPolarHBondContact O-CB 3.49Å; K441-A445 PolarHBondContact O-N 2.74Å |
| 442 | E | 94.9 | Very high | 95.4 | Very high | 118 Ų | 118 | 102.3 Ų | 102.3 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.1 | -43.1 | 175.6 | -172.3 | 177.8 | -175.3 | 0 | 0 | 111.2 | E438 L439 N444 A445 N446 | E438-E442 PolarHBondContact O-N 3.04Å; L439-E442 PolarHBondContact O-N 2.97Å; E442-N444 VanDerWaalsContact C-N 3.3Å; E442-N444 PolarHBondContact O-N 2.91Å; E442-A445 PolarHBondContact O-N 3.3Å; E442-N446 WeakPolarHBondContact O-CB 3.4Å; E442-N446 VanDerWaalsContact O-CG 3.31Å; E442-N446 PolarHBondContact O-N 3.46Å; E442-N446 PolarHBondContact O-ND2 3.47Å |
| 443 | S | 94.7 | Very high | 95.3 | Very high | 54 Ų | 54 | 105 Ų | 105 | 38% | 0.378 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 172.9 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | L439 V440 K447 | L439-S443 VanDerWaalsContact O-CB 3.32Å; L439-S443 WeakPolarHBondContact O-CB 3.48Å; L439-S443 PolarHBondContact O-N 3.3Å; V440-S443 PolarHBondContact O-N 2.95Å; S443-K447 WeakPolarHBondContact O-CG 3.46Å; S443-K447 PolarHBondContact O-N 2.92Å |
| 444 | N | 94.3 | Very high | 95.4 | Very high | 83 Ų | 83 | 102.6 Ų | 102.6 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.8 | -42.7 | 177.4 | -166 | 61.6 | 0 | 0 | 0 | 112 | V440 K441 E442 N446 K447 E448 | V440-N444 WeakPolarHBondContact O-CB 3.3Å; V440-N444 PolarHBondContact O-N 3.49Å; K441-N444 PolarHBondContact O-N 3.32Å; E442-N444 VanDerWaalsContact C-N 3.3Å; E442-N444 PolarHBondContact O-N 2.91Å; N444-N446 VanDerWaalsContact C-N 3.32Å; N444-N446 PolarHBondContact O-N 3.34Å; N444-K447 PolarHBondContact O-N 2.97Å; N444-E448 PolarHBondContact ND2-OE1 3.27Å; N444-E448 WeakPolarHBondContact O-CG 3.42Å; N444-E448 PolarHBondContact O-N 2.83Å |
| 445 | A | 95.8 | Very high | 95.3 | Very high | 40 Ų | 40 | 100.6 Ų | 100.6 | 33% | 0.331 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K441 E442 E448 Q449 | K441-A445 WeakPolarHBondContact O-CB 3.49Å; K441-A445 PolarHBondContact O-N 2.74Å; E442-A445 PolarHBondContact O-N 3.3Å; A445-E448 PolarHBondContact O-N 3.39Å; A445-Q449 WeakPolarHBondContact O-CG 3.42Å; A445-Q449 PolarHBondContact O-N 3.07Å |
| 446 | N | 95.8 | Very high | 95.1 | Very high | 72 Ų | 72 | 98.2 Ų | 98.2 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 174.9 | -72.5 | -29.4 | 0 | 0 | 0 | 112.1 | E442 N444 Q449 Q450 | E442-N446 WeakPolarHBondContact O-CB 3.4Å; E442-N446 VanDerWaalsContact O-CG 3.31Å; E442-N446 PolarHBondContact O-N 3.46Å; E442-N446 PolarHBondContact O-ND2 3.47Å; N444-N446 VanDerWaalsContact C-N 3.32Å; N444-N446 PolarHBondContact O-N 3.34Å; N446-Q449 PolarHBondContact O-N 3.29Å; N446-Q450 WeakPolarHBondContact O-CG 3.41Å; N446-Q450 PolarHBondContact O-N 2.91Å |
| 447 | K | 94.8 | Very high | 95.1 | Very high | 119 Ų | 119 | 97.6 Ų | 97.6 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 174.6 | -73.2 | 173.2 | -175.1 | 172.6 | 0 | 112.1 | S443 N444 Q450 L451 | S443-K447 WeakPolarHBondContact O-CG 3.46Å; S443-K447 PolarHBondContact O-N 2.92Å; N444-K447 PolarHBondContact O-N 2.97Å; K447-Q450 PolarHBondContact O-N 3.49Å; K447-L451 WeakPolarHBondContact O-CG 3.45Å; K447-L451 PolarHBondContact O-N 3.03Å |
| 448 | E | 95.3 | Very high | 95.1 | Very high | 104 Ų | 104 | 96.6 Ų | 96.6 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 174.6 | -75.2 | 172.3 | -170.8 | 0 | 0 | 111.9 | N444 A445 Q450 L451 N452 | N444-E448 PolarHBondContact ND2-OE1 3.27Å; N444-E448 WeakPolarHBondContact O-CG 3.42Å; N444-E448 PolarHBondContact O-N 2.83Å; A445-E448 PolarHBondContact O-N 3.39Å; E448-Q450 PolarHBondContact O-N 3.3Å; E448-L451 PolarHBondContact O-N 3.21Å; E448-N452 VanDerWaalsContact O-CG 3.22Å; E448-N452 PolarHBondContact O-N 3.22Å; E448-N452 PolarHBondContact O-ND2 3.29Å |
| 449 | Q | 95 | Very high | 95 | Very high | 119 Ų | 119 | 95 Ų | 95 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 173.2 | -71.3 | 176.8 | 2.3 | 0 | 0 | 112.2 | A445 N446 N452 L453 | A445-Q449 WeakPolarHBondContact O-CG 3.42Å; A445-Q449 PolarHBondContact O-N 3.07Å; N446-Q449 PolarHBondContact O-N 3.29Å; Q449-N452 PolarHBondContact O-N 3.15Å; Q449-L453 WeakPolarHBondContact O-CG 3.5Å; Q449-L453 PolarHBondContact O-N 3.01Å |
| 450 | Q | 95.8 | Very high | 95 | Very high | 122 Ų | 122 | 92.4 Ų | 92.4 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.5 | -43.1 | 174.6 | -71.8 | 176.3 | 6.7 | 0 | 0 | 111.9 | N446 K447 E448 N452 L453 L454 | N446-Q450 WeakPolarHBondContact O-CG 3.41Å; N446-Q450 PolarHBondContact O-N 2.91Å; K447-Q450 PolarHBondContact O-N 3.49Å; E448-Q450 PolarHBondContact O-N 3.3Å; Q450-N452 VanDerWaalsContact C-N 3.32Å; Q450-N452 PolarHBondContact O-N 3.04Å; Q450-L453 PolarHBondContact O-N 3.4Å; Q450-L454 WeakPolarHBondContact O-CG 3.41Å; Q450-L454 PolarHBondContact O-N 3.32Å |
| 451 | L | 94.9 | Very high | 94.8 | Very high | 113 Ų | 113 | 93.1 Ų | 93.1 | 59% | 0.592 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.9 | -39.4 | 175.1 | -74 | 171.9 | 0 | 0 | 0 | 111.9 | K447 E448 L454 Q455 | K447-L451 WeakPolarHBondContact O-CG 3.45Å; K447-L451 PolarHBondContact O-N 3.03Å; E448-L451 PolarHBondContact O-N 3.21Å; L451-L454 PolarHBondContact O-N 3.4Å; L451-Q455 VanDerWaalsContact O-CB 3.29Å; L451-Q455 WeakPolarHBondContact O-CB 3.31Å; L451-Q455 PolarHBondContact O-N 3.16Å |
| 452 | N | 94.2 | Very high | 94.7 | Very high | 112 Ų | 112 | 93.6 Ų | 93.6 | 60% | 0.599 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 176.7 | -70.5 | -28.7 | 0 | 0 | 0 | 112.5 | E448 Q449 Q450 Q455 A456 | E448-N452 VanDerWaalsContact O-CG 3.22Å; E448-N452 PolarHBondContact O-N 3.22Å; E448-N452 PolarHBondContact O-ND2 3.29Å; Q449-N452 PolarHBondContact O-N 3.15Å; Q450-N452 VanDerWaalsContact C-N 3.32Å; Q450-N452 PolarHBondContact O-N 3.04Å; N452-Q455 PolarHBondContact O-N 3.32Å; N452-A456 WeakPolarHBondContact O-CB 3.38Å; N452-A456 PolarHBondContact O-N 2.89Å |
| 453 | L | 92.5 | Very high | 94.6 | Very high | 117 Ų | 117 | 89.6 Ų | 89.6 | 61% | 0.613 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.5 | -45.5 | 174.2 | -72.3 | 171.5 | 0 | 0 | 0 | 111.3 | Q449 Q450 Q455 A456 D457 | Q449-L453 WeakPolarHBondContact O-CG 3.5Å; Q449-L453 PolarHBondContact O-N 3.01Å; Q450-L453 PolarHBondContact O-N 3.4Å; L453-Q455 VanDerWaalsContact C-N 3.31Å; L453-Q455 PolarHBondContact O-N 3.47Å; L453-A456 PolarHBondContact O-N 3.4Å; L453-D457 PolarHBondContact O-N 3.41Å |
| 454 | L | 95.2 | Very high | 94.6 | Very high | 99 Ų | 99 | 93.8 Ų | 93.8 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 175.8 | -69.9 | 173.7 | 0 | 0 | 0 | 112.2 | Q450 L451 D457 I458 | Q450-L454 WeakPolarHBondContact O-CG 3.41Å; Q450-L454 PolarHBondContact O-N 3.32Å; L451-L454 PolarHBondContact O-N 3.4Å; L454-D457 PolarHBondContact O-N 3.02Å; L454-I458 VanDerWaalsContact O-CG1 3.25Å; L454-I458 WeakPolarHBondContact O-CG1 3.32Å; L454-I458 PolarHBondContact O-N 3.17Å |
| 455 | Q | 94.5 | Very high | 94.5 | Very high | 89 Ų | 89 | 95.8 Ų | 95.8 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 174.6 | -174.9 | 59.2 | 43.1 | 0 | 0 | 111.1 | L451 N452 L453 D457 I458 D459 | L451-Q455 VanDerWaalsContact O-CB 3.29Å; L451-Q455 WeakPolarHBondContact O-CB 3.31Å; L451-Q455 PolarHBondContact O-N 3.16Å; N452-Q455 PolarHBondContact O-N 3.32Å; L453-Q455 VanDerWaalsContact C-N 3.31Å; L453-Q455 PolarHBondContact O-N 3.47Å; Q455-D457 PolarHBondContact O-N 3.02Å; Q455-I458 PolarHBondContact O-N 3.44Å; Q455-D459 PolarHBondContact NE2-OD1 3.48Å; Q455-D459 PolarHBondContact NE2-OD2 2.9Å; Q455-D459 PolarHBondContact O-N 3.34Å |
| 456 | A | 94.5 | Very high | 94.3 | Very high | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N452 L453 D459 A460 | N452-A456 WeakPolarHBondContact O-CB 3.38Å; N452-A456 PolarHBondContact O-N 2.89Å; L453-A456 PolarHBondContact O-N 3.4Å; A456-D459 PolarHBondContact O-N 3.37Å; A456-A460 WeakPolarHBondContact O-CB 3.32Å; A456-A460 PolarHBondContact O-N 3.47Å |
| 457 | D | 94 | Very high | 94.2 | Very high | 99 Ų | 99 | 98.6 Ų | 98.6 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 175 | -75.2 | -21.1 | 0 | 0 | 0 | 111.8 | L453 L454 Q455 A460 L461 | L453-D457 PolarHBondContact O-N 3.41Å; L454-D457 PolarHBondContact O-N 3.02Å; Q455-D457 PolarHBondContact O-N 3.02Å; D457-A460 PolarHBondContact O-N 2.99Å; D457-L461 WeakPolarHBondContact O-CB 3.29Å; D457-L461 VanDerWaalsContact O-CG 3.29Å; D457-L461 WeakPolarHBondContact O-CG 3.38Å; D457-L461 PolarHBondContact O-N 3.41Å |
| 458 | I | 95.2 | Very high | 94.1 | Very high | 75 Ų | 75 | 98.7 Ų | 98.7 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 174.6 | -72.1 | 165.1 | 0 | 0 | 0 | 110.6 | L454 Q455 L461 R462 | L454-I458 VanDerWaalsContact O-CG1 3.25Å; L454-I458 WeakPolarHBondContact O-CG1 3.32Å; L454-I458 PolarHBondContact O-N 3.17Å; Q455-I458 PolarHBondContact O-N 3.44Å; I458-L461 PolarHBondContact O-N 3.35Å; I458-R462 WeakPolarHBondContact O-CG 3.4Å; I458-R462 PolarHBondContact O-N 3.36Å |
| 459 | D | 94.5 | Very high | 93.9 | Very high | 73 Ų | 73 | 98 Ų | 98 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.4 | -35.9 | -179.5 | -67 | -31.5 | 0 | 0 | 0 | 111.7 | Q455 A456 R462 G463 | Q455-D459 PolarHBondContact NE2-OD1 3.48Å; Q455-D459 PolarHBondContact NE2-OD2 2.9Å; Q455-D459 PolarHBondContact O-N 3.34Å; A456-D459 PolarHBondContact O-N 3.37Å; D459-R462 PolarHBondContact O-N 3.06Å; D459-R462 IonicContact OD1-NH1 3.13Å; D459-R462 PolarHBondContact OD1-NH1 2.84Å; D459-G463 PolarHBondContact O-N 3.27Å |
| 460 | A | 94.7 | Very high | 93.9 | Very high | 51 Ų | 51 | 98 Ų | 98 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A456 D457 K464 | A456-A460 WeakPolarHBondContact O-CB 3.32Å; A456-A460 PolarHBondContact O-N 3.47Å; D457-A460 PolarHBondContact O-N 2.99Å; A460-K464 WeakPolarHBondContact O-CG 3.39Å; A460-K464 PolarHBondContact O-N 3.2Å; A460-K464 VanDerWaalsContact O-N 3.13Å |
| 461 | L | 93.5 | Very high | 93.7 | Very high | 111 Ų | 111 | 96.5 Ų | 96.5 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.4 | -37.6 | 174.4 | -73.1 | 174.4 | 0 | 0 | 0 | 111.9 | D457 I458 K464 L465 | D457-L461 WeakPolarHBondContact O-CB 3.29Å; D457-L461 VanDerWaalsContact O-CG 3.29Å; D457-L461 WeakPolarHBondContact O-CG 3.38Å; D457-L461 PolarHBondContact O-N 3.41Å; I458-L461 PolarHBondContact O-N 3.35Å; L461-K464 PolarHBondContact O-N 3.33Å; L461-L465 WeakPolarHBondContact O-CB 3.47Å; L461-L465 PolarHBondContact O-N 3.49Å |
| 462 | R | 95.1 | Very high | 93.4 | Very high | 139 Ų | 139 | 96.2 Ų | 96.2 | 53% | 0.525 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 173.4 | -75.4 | 170.6 | 173.6 | 178.4 | -5.6 | 111.7 | I458 D459 K464 L465 E466 | I458-R462 WeakPolarHBondContact O-CG 3.4Å; I458-R462 PolarHBondContact O-N 3.36Å; D459-R462 PolarHBondContact O-N 3.06Å; D459-R462 IonicContact OD1-NH1 3.13Å; D459-R462 PolarHBondContact OD1-NH1 2.84Å; R462-K464 VanDerWaalsContact C-N 3.3Å; R462-K464 PolarHBondContact O-N 2.94Å; R462-L465 WeakPolarHBondContact O-CB 3.5Å; R462-L465 PolarHBondContact O-N 3.3Å; R462-E466 WeakPolarHBondContact O-CG 3.28Å; R462-E466 PolarHBondContact O-N 3.17Å |
| 463 | G | 92.7 | Very high | 93.4 | Very high | 34 Ų | 34 | 95.3 Ų | 95.3 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -36.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D459 E466 A467 | D459-G463 PolarHBondContact O-N 3.27Å; G463-E466 PolarHBondContact O-N 2.97Å; G463-A467 WeakPolarHBondContact O-CB 3.49Å; G463-A467 PolarHBondContact O-N 3.49Å |
| 464 | K | 94.8 | Very high | 93.5 | Very high | 143 Ų | 143 | 95.3 Ų | 95.3 | 62% | 0.622 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.3 | -37.8 | 173 | -74.2 | 173.3 | 177.6 | 173.1 | 0 | 112.5 | A460 L461 R462 K468 | A460-K464 WeakPolarHBondContact O-CG 3.39Å; A460-K464 PolarHBondContact O-N 3.2Å; A460-K464 VanDerWaalsContact O-N 3.13Å; L461-K464 PolarHBondContact O-N 3.33Å; R462-K464 VanDerWaalsContact C-N 3.3Å; R462-K464 PolarHBondContact O-N 2.94Å; K464-K468 WeakPolarHBondContact O-CB 3.42Å; K464-K468 VanDerWaalsContact O-CG 3.29Å; K464-K468 WeakPolarHBondContact O-CG 3.42Å; K464-K468 PolarHBondContact O-N 3.22Å |
| 465 | L | 90.9 | Very high | 93.4 | Very high | 125 Ų | 125 | 97.3 Ų | 97.3 | 65% | 0.654 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68 | -41.8 | 176.9 | -173.8 | 66.7 | 0 | 0 | 0 | 111.1 | L461 R462 K468 N469 | L461-L465 WeakPolarHBondContact O-CB 3.47Å; L461-L465 PolarHBondContact O-N 3.49Å; R462-L465 WeakPolarHBondContact O-CB 3.5Å; R462-L465 PolarHBondContact O-N 3.3Å; L465-K468 PolarHBondContact O-N 3.43Å; L465-N469 WeakPolarHBondContact O-CB 3.38Å; L465-N469 PolarHBondContact O-N 3.41Å |
| 466 | E | 93.2 | Very high | 93.3 | Very high | 127 Ų | 127 | 95.2 Ų | 95.2 | 59% | 0.593 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.2 | -49.1 | 174.1 | -72.8 | 167.5 | -173.1 | 0 | 0 | 111.2 | R462 G463 K468 N469 E470 | R462-E466 WeakPolarHBondContact O-CG 3.28Å; R462-E466 PolarHBondContact O-N 3.17Å; G463-E466 PolarHBondContact O-N 2.97Å; E466-K468 VanDerWaalsContact C-N 3.25Å; E466-K468 PolarHBondContact O-N 3.29Å; E466-N469 WeakPolarHBondContact O-CA 3.33Å; E466-N469 WeakPolarHBondContact O-CB 3.42Å; E466-N469 PolarHBondContact O-N 3.35Å; E466-E470 PolarHBondContact O-N 3.01Å |
| 467 | A | 92.7 | Very high | 93.3 | Very high | 43 Ų | 43 | 97.7 Ų | 97.7 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -33.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G463 Q471 | G463-A467 WeakPolarHBondContact O-CB 3.49Å; G463-A467 PolarHBondContact O-N 3.49Å; A467-Q471 WeakPolarHBondContact O-CG 3.36Å; A467-Q471 PolarHBondContact O-N 3.11Å; A467-Q471 VanDerWaalsContact O-N 3.12Å |
| 468 | K | 93.3 | Very high | 93.1 | Very high | 122 Ų | 122 | 98.6 Ų | 98.6 | 53% | 0.53 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.3 | -36.7 | 173.3 | -75 | -71.3 | 171.2 | -164.1 | 0 | 112.2 | K464 L465 E466 Q471 I472 | K464-K468 WeakPolarHBondContact O-CB 3.42Å; K464-K468 VanDerWaalsContact O-CG 3.29Å; K464-K468 WeakPolarHBondContact O-CG 3.42Å; K464-K468 PolarHBondContact O-N 3.22Å; L465-K468 PolarHBondContact O-N 3.43Å; E466-K468 VanDerWaalsContact C-N 3.25Å; E466-K468 PolarHBondContact O-N 3.29Å; K468-Q471 PolarHBondContact O-N 2.96Å; K468-I472 WeakPolarHBondContact O-CG1 3.33Å; K468-I472 PolarHBondContact O-N 3.42Å |
| 469 | N | 91.1 | Very high | 92.9 | Very high | 89 Ų | 89 | 101.6 Ų | 101.6 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 174.9 | -158.1 | 80.7 | 0 | 0 | 0 | 111 | L465 E466 Q471 I472 D473 | L465-N469 WeakPolarHBondContact O-CB 3.38Å; L465-N469 PolarHBondContact O-N 3.41Å; E466-N469 WeakPolarHBondContact O-CA 3.33Å; E466-N469 WeakPolarHBondContact O-CB 3.42Å; E466-N469 PolarHBondContact O-N 3.35Å; N469-Q471 VanDerWaalsContact C-N 3.31Å; N469-Q471 PolarHBondContact O-N 2.91Å; N469-I472 WeakPolarHBondContact O-CB 3.25Å; N469-I472 PolarHBondContact O-N 2.96Å; N469-D473 PolarHBondContact ND2-OD2 3.32Å; N469-D473 PolarHBondContact O-N 2.9Å |
| 470 | E | 95.8 | Very high | 92.8 | Very high | 119 Ų | 119 | 101.8 Ų | 101.8 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59 | -40.2 | 173.1 | -71.2 | 178.7 | 178.3 | 0 | 0 | 112.3 | E466 I472 D473 Q474 | E466-E470 PolarHBondContact O-N 3.01Å; E470-I472 VanDerWaalsContact C-N 3.32Å; E470-I472 PolarHBondContact O-N 3Å; E470-D473 PolarHBondContact O-N 3.37Å; E470-Q474 WeakPolarHBondContact O-CB 3.34Å; E470-Q474 VanDerWaalsContact O-CG 3.27Å; E470-Q474 WeakPolarHBondContact O-CG 3.39Å; E470-Q474 PolarHBondContact O-N 3.27Å |
| 471 | Q | 90.1 | Very high | 92.8 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 43% | 0.425 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 174 | -76.7 | 178 | 4.3 | 0 | 0 | 112.5 | A467 K468 N469 K475 | A467-Q471 WeakPolarHBondContact O-CG 3.36Å; A467-Q471 PolarHBondContact O-N 3.11Å; A467-Q471 VanDerWaalsContact O-N 3.12Å; K468-Q471 PolarHBondContact O-N 2.96Å; N469-Q471 VanDerWaalsContact C-N 3.31Å; N469-Q471 PolarHBondContact O-N 2.91Å; Q471-K475 WeakPolarHBondContact O-CB 3.47Å; Q471-K475 WeakPolarHBondContact O-CG 3.49Å; Q471-K475 PolarHBondContact O-N 3.13Å |
| 472 | I | 88.9 | Confident | 92.7 | Very high | 107 Ų | 107 | 103.7 Ų | 103.7 | 55% | 0.549 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 175.7 | -69.4 | 165.3 | 0 | 0 | 0 | 109.8 | K468 N469 E470 Q474 K475 A476 | K468-I472 WeakPolarHBondContact O-CG1 3.33Å; K468-I472 PolarHBondContact O-N 3.42Å; N469-I472 WeakPolarHBondContact O-CB 3.25Å; N469-I472 PolarHBondContact O-N 2.96Å; E470-I472 VanDerWaalsContact C-N 3.32Å; E470-I472 PolarHBondContact O-N 3Å; I472-Q474 PolarHBondContact O-N 2.94Å; I472-K475 PolarHBondContact O-N 3.21Å; I472-A476 WeakPolarHBondContact O-CB 3.47Å; I472-A476 PolarHBondContact O-N 2.92Å |
| 473 | D | 95 | Very high | 92.6 | Very high | 93 Ų | 93 | 101.9 Ų | 101.9 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 178 | -66.5 | -31.9 | 0 | 0 | 0 | 111.6 | N469 E470 K475 A476 Q477 | N469-D473 PolarHBondContact ND2-OD2 3.32Å; N469-D473 PolarHBondContact O-N 2.9Å; E470-D473 PolarHBondContact O-N 3.37Å; D473-K475 PolarHBondContact O-N 2.86Å; D473-A476 PolarHBondContact O-N 3.27Å; D473-Q477 PolarHBondContact O-N 3.01Å |
| 474 | Q | 94.9 | Very high | 92.7 | Very high | 117 Ų | 117 | 103 Ų | 103 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 173.7 | -73.6 | 171.7 | 19.2 | 0 | 0 | 112.2 | E470 I472 Q477 Q478 | E470-Q474 WeakPolarHBondContact O-CB 3.34Å; E470-Q474 VanDerWaalsContact O-CG 3.27Å; E470-Q474 WeakPolarHBondContact O-CG 3.39Å; E470-Q474 PolarHBondContact O-N 3.27Å; I472-Q474 PolarHBondContact O-N 2.94Å; Q474-Q477 PolarHBondContact O-N 3.47Å; Q474-Q478 WeakPolarHBondContact O-CG 3.4Å; Q474-Q478 PolarHBondContact O-N 2.96Å |
| 475 | K | 92.3 | Very high | 92.6 | Very high | 140 Ų | 140 | 99.7 Ų | 99.7 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.6 | -36.2 | 176.4 | -76.3 | -175.2 | 177.4 | -171.1 | 0 | 112.3 | Q471 I472 D473 Q477 Q478 M479 | Q471-K475 WeakPolarHBondContact O-CB 3.47Å; Q471-K475 WeakPolarHBondContact O-CG 3.49Å; Q471-K475 PolarHBondContact O-N 3.13Å; I472-K475 PolarHBondContact O-N 3.21Å; D473-K475 PolarHBondContact O-N 2.86Å; K475-Q477 VanDerWaalsContact C-N 3.34Å; K475-Q478 PolarHBondContact O-N 3.38Å; K475-M479 WeakPolarHBondContact O-CG 3.49Å; K475-M479 PolarHBondContact O-N 3.32Å |
| 476 | A | 92 | Very high | 92.8 | Very high | 45 Ų | 45 | 99.7 Ų | 99.7 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I472 D473 M479 T480 | I472-A476 WeakPolarHBondContact O-CB 3.47Å; I472-A476 PolarHBondContact O-N 2.92Å; D473-A476 PolarHBondContact O-N 3.27Å; A476-M479 PolarHBondContact O-N 2.96Å; A476-T480 PolarHBondContact O-N 2.96Å |
| 477 | Q | 94.4 | Very high | 92.8 | Very high | 109 Ų | 109 | 98 Ų | 98 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 174.6 | -171.4 | 60.5 | 47.4 | 0 | 0 | 112.1 | D473 Q474 K475 M479 T480 D481 | D473-Q477 PolarHBondContact O-N 3.01Å; Q474-Q477 PolarHBondContact O-N 3.47Å; K475-Q477 VanDerWaalsContact C-N 3.34Å; Q477-M479 VanDerWaalsContact C-N 3.3Å; Q477-M479 PolarHBondContact O-N 3.49Å; Q477-T480 WeakPolarHBondContact CA-OG1 3.36Å; Q477-T480 PolarHBondContact NE2-OG1 2.87Å; Q477-T480 PolarHBondContact O-N 3.31Å; Q477-T480 VanDerWaalsContact O-N 3.11Å; Q477-T480 PolarHBondContact O-OG1 3.33Å; Q477-D481 PolarHBondContact NE2-OD1 3.33Å; Q477-D481 PolarHBondContact O-N 3.3Å |
| 478 | Q | 91.3 | Very high | 93 | Very high | 118 Ų | 118 | 102 Ų | 102 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.7 | -39.2 | 175.1 | -73.7 | 175.7 | -3.9 | 0 | 0 | 112.3 | Q474 K475 D481 L482 | Q474-Q478 WeakPolarHBondContact O-CG 3.4Å; Q474-Q478 PolarHBondContact O-N 2.96Å; K475-Q478 PolarHBondContact O-N 3.38Å; Q478-D481 PolarHBondContact O-N 3.48Å; Q478-L482 WeakPolarHBondContact O-CB 3.38Å; Q478-L482 WeakPolarHBondContact O-CG 3.27Å; Q478-L482 PolarHBondContact O-N 2.93Å |
| 479 | M | 91 | Very high | 93.1 | Very high | 138 Ų | 138 | 100.6 Ų | 100.6 | 68% | 0.68 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -38.4 | 174.6 | -73.1 | -155.7 | -42.5 | 0 | 0 | 112.5 | K475 A476 Q477 D481 Q483 | K475-M479 WeakPolarHBondContact O-CG 3.49Å; K475-M479 PolarHBondContact O-N 3.32Å; A476-M479 PolarHBondContact O-N 2.96Å; Q477-M479 VanDerWaalsContact C-N 3.3Å; Q477-M479 PolarHBondContact O-N 3.49Å; M479-D481 VanDerWaalsContact C-N 3.35Å; M479-Q483 VanDerWaalsContact O-CB 3.24Å; M479-Q483 WeakPolarHBondContact O-CB 3.4Å; M479-Q483 PolarHBondContact O-N 2.96Å |
| 480 | T | 92.1 | Very high | 93.1 | Very high | 77 Ų | 77 | 99.4 Ų | 99.4 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67 | -37.6 | 177 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | A476 Q477 Q483 A484 | A476-T480 PolarHBondContact O-N 2.96Å; Q477-T480 WeakPolarHBondContact CA-OG1 3.36Å; Q477-T480 PolarHBondContact NE2-OG1 2.87Å; Q477-T480 PolarHBondContact O-N 3.31Å; Q477-T480 VanDerWaalsContact O-N 3.11Å; Q477-T480 PolarHBondContact O-OG1 3.33Å; T480-Q483 PolarHBondContact O-N 3.29Å; T480-A484 PolarHBondContact O-N 2.96Å |
| 481 | D | 94 | Very high | 93 | Very high | 82 Ų | 82 | 96.5 Ų | 96.5 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.9 | -46.8 | 178 | -61.1 | -15.1 | 0 | 0 | 0 | 110.6 | Q477 Q478 M479 Q483 A484 D485 | Q477-D481 PolarHBondContact NE2-OD1 3.33Å; Q477-D481 PolarHBondContact O-N 3.3Å; Q478-D481 PolarHBondContact O-N 3.48Å; M479-D481 VanDerWaalsContact C-N 3.35Å; D481-Q483 VanDerWaalsContact C-N 3.29Å; D481-Q483 PolarHBondContact O-N 3.2Å; D481-A484 WeakPolarHBondContact O-CB 3.36Å; D481-A484 PolarHBondContact O-N 3.44Å; D481-A484 VanDerWaalsContact O-N 3.1Å; D481-D485 PolarHBondContact O-N 3.28Å |
| 482 | L | 92.2 | Very high | 93.2 | Very high | 120 Ų | 120 | 96 Ų | 96 | 63% | 0.628 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -35.9 | 174.7 | -72.2 | 173.6 | 0 | 0 | 0 | 112.5 | Q478 D485 K486 | Q478-L482 WeakPolarHBondContact O-CB 3.38Å; Q478-L482 WeakPolarHBondContact O-CG 3.27Å; Q478-L482 PolarHBondContact O-N 2.93Å; L482-D485 PolarHBondContact O-N 3.28Å; L482-K486 WeakPolarHBondContact O-CB 3.31Å; L482-K486 PolarHBondContact O-N 3Å |
| 483 | Q | 93.3 | Very high | 93.4 | Very high | 100 Ų | 100 | 96.1 Ų | 96.1 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.1 | -36.9 | 174.5 | -175.1 | 71.3 | -10 | 0 | 0 | 111.6 | M479 T480 D481 N487 | M479-Q483 VanDerWaalsContact O-CB 3.24Å; M479-Q483 WeakPolarHBondContact O-CB 3.4Å; M479-Q483 PolarHBondContact O-N 2.96Å; T480-Q483 PolarHBondContact O-N 3.29Å; D481-Q483 VanDerWaalsContact C-N 3.29Å; D481-Q483 PolarHBondContact O-N 3.2Å; Q483-N487 PolarHBondContact O-N 3.4Å; Q483-N487 VanDerWaalsContact O-N 3.09Å; Q483-N487 PolarHBondContact O-ND2 3.34Å |
| 484 | A | 93.1 | Very high | 93.3 | Very high | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T480 D481 N487 R488 | T480-A484 PolarHBondContact O-N 2.96Å; D481-A484 WeakPolarHBondContact O-CB 3.36Å; D481-A484 PolarHBondContact O-N 3.44Å; D481-A484 VanDerWaalsContact O-N 3.1Å; A484-N487 WeakPolarHBondContact O-CB 3.41Å; A484-N487 PolarHBondContact O-N 3.48Å; A484-R488 PolarHBondContact O-N 3.49Å |
| 485 | D | 94.1 | Very high | 93.3 | Very high | 74 Ų | 74 | 95.9 Ų | 95.9 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 175.7 | -86.9 | -31.2 | 0 | 0 | 0 | 112.7 | D481 L482 N487 R488 I489 | D481-D485 PolarHBondContact O-N 3.28Å; L482-D485 PolarHBondContact O-N 3.28Å; D485-N487 VanDerWaalsContact C-N 3.28Å; D485-N487 PolarHBondContact O-N 2.85Å; D485-R488 WeakPolarHBondContact O-CB 3.37Å; D485-R488 PolarHBondContact O-N 3.38Å; D485-R488 VanDerWaalsContact O-N 3.17Å; D485-R488 IonicContact OD1-NE 3.62Å; D485-R488 PolarHBondContact OD1-NE 3.48Å; D485-R488 IonicContact OD1-NH2 2.77Å; D485-I489 WeakPolarHBondContact O-CG1 3.35Å; D485-I489 PolarHBondContact O-N 3.06Å |
| 486 | K | 94 | Very high | 93.5 | Very high | 124 Ų | 124 | 94.5 Ų | 94.5 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.1 | -45.5 | 172.2 | 179.2 | -175.7 | 174.9 | -179.6 | 0 | 111 | L482 T490 | L482-K486 WeakPolarHBondContact O-CB 3.31Å; L482-K486 PolarHBondContact O-N 3Å; K486-T490 WeakPolarHBondContact O-CB 3.48Å; K486-T490 PolarHBondContact O-N 2.97Å; K486-T490 PolarHBondContact O-OG1 3.38Å |
| 487 | N | 94 | Very high | 93.6 | Very high | 92 Ų | 92 | 95.1 Ų | 95.1 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 178.2 | -67.5 | -23.5 | 0 | 0 | 0 | 111.7 | Q483 A484 D485 T490 S491 | Q483-N487 PolarHBondContact O-N 3.4Å; Q483-N487 VanDerWaalsContact O-N 3.09Å; Q483-N487 PolarHBondContact O-ND2 3.34Å; A484-N487 WeakPolarHBondContact O-CB 3.41Å; A484-N487 PolarHBondContact O-N 3.48Å; D485-N487 VanDerWaalsContact C-N 3.28Å; D485-N487 PolarHBondContact O-N 2.85Å; N487-T490 PolarHBondContact O-N 3.41Å; N487-S491 PolarHBondContact O-N 3.26Å |
| 488 | R | 96.2 | Very high | 93.7 | Very high | 127 Ų | 127 | 94.8 Ų | 94.8 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -53.9 | 174.6 | -175.7 | 176.7 | 71.6 | 94.4 | -9.3 | 111.3 | A484 D485 T490 S491 E492 | A484-R488 PolarHBondContact O-N 3.49Å; D485-R488 WeakPolarHBondContact O-CB 3.37Å; D485-R488 PolarHBondContact O-N 3.38Å; D485-R488 VanDerWaalsContact O-N 3.17Å; D485-R488 IonicContact OD1-NE 3.62Å; D485-R488 PolarHBondContact OD1-NE 3.48Å; D485-R488 IonicContact OD1-NH2 2.77Å; R488-T490 VanDerWaalsContact C-N 3.28Å; R488-T490 PolarHBondContact O-N 2.91Å; R488-S491 WeakPolarHBondContact O-CB 3.48Å; R488-S491 PolarHBondContact O-N 2.88Å; R488-S491 PolarHBondContact O-OG 3.37Å; R488-E492 WeakPolarHBondContact CG-OE1 3.33Å; R488-E492 IonicContact CZ-OE1 3.51Å; R488-E492 IonicContact NH1-OE1 2.92Å; R488-E492 PolarHBondContact NH1-OE1 3.27Å; R488-E492 IonicContact NH1-OE2 2.64Å; R488-E492 WeakPolarHBondContact O-CG 3.38Å; R488-E492 PolarHBondContact O-N 3.35Å |
| 489 | I | 94.6 | Very high | 93.8 | Very high | 93 Ų | 93 | 94.7 Ų | 94.7 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 178.4 | -65.6 | 168.6 | 0 | 0 | 0 | 110.9 | D485 S491 E492 L493 | D485-I489 WeakPolarHBondContact O-CG1 3.35Å; D485-I489 PolarHBondContact O-N 3.06Å; I489-S491 VanDerWaalsContact C-N 3.31Å; I489-S491 PolarHBondContact O-N 2.92Å; I489-E492 PolarHBondContact O-N 3.01Å; I489-L493 WeakPolarHBondContact O-CB 3.31Å; I489-L493 PolarHBondContact O-N 2.82Å |
| 490 | T | 92.7 | Very high | 94 | Very high | 63 Ų | 63 | 94.8 Ų | 94.8 | 39% | 0.387 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | K486 N487 R488 L493 N494 | K486-T490 WeakPolarHBondContact O-CB 3.48Å; K486-T490 PolarHBondContact O-N 2.97Å; K486-T490 PolarHBondContact O-OG1 3.38Å; N487-T490 PolarHBondContact O-N 3.41Å; R488-T490 VanDerWaalsContact C-N 3.28Å; R488-T490 PolarHBondContact O-N 2.91Å; T490-L493 PolarHBondContact O-N 3.02Å; T490-N494 PolarHBondContact O-N 3.35Å; T490-N494 PolarHBondContact O-ND2 2.96Å |
| 491 | S | 93 | Very high | 94.1 | Very high | 59 Ų | 59 | 95.7 Ų | 95.7 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 175.6 | 74 | 0 | 0 | 0 | 0 | 112.5 | N487 R488 I489 N494 L495 | N487-S491 PolarHBondContact O-N 3.26Å; R488-S491 WeakPolarHBondContact O-CB 3.48Å; R488-S491 PolarHBondContact O-N 2.88Å; R488-S491 PolarHBondContact O-OG 3.37Å; I489-S491 VanDerWaalsContact C-N 3.31Å; I489-S491 PolarHBondContact O-N 2.92Å; S491-N494 PolarHBondContact O-N 3.3Å; S491-L495 WeakPolarHBondContact O-CG 3.33Å; S491-L495 PolarHBondContact O-N 3.35Å |
| 492 | E | 95.2 | Very high | 94.2 | Very high | 81 Ų | 81 | 97.4 Ų | 97.4 | 38% | 0.379 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.1 | -69.5 | 171 | -167.2 | 0 | 0 | 111.1 | R488 I489 N494 L495 L496 | R488-E492 WeakPolarHBondContact CG-OE1 3.33Å; R488-E492 IonicContact CZ-OE1 3.51Å; R488-E492 IonicContact NH1-OE1 2.92Å; R488-E492 PolarHBondContact NH1-OE1 3.27Å; R488-E492 IonicContact NH1-OE2 2.64Å; R488-E492 WeakPolarHBondContact O-CG 3.38Å; R488-E492 PolarHBondContact O-N 3.35Å; I489-E492 PolarHBondContact O-N 3.01Å; E492-N494 VanDerWaalsContact C-N 3.34Å; E492-N494 PolarHBondContact O-N 3.33Å; E492-L495 PolarHBondContact O-N 3.49Å; E492-L496 WeakPolarHBondContact O-CD1 3.34Å; E492-L496 PolarHBondContact O-N 2.71Å |
| 493 | L | 91.6 | Very high | 94.3 | Very high | 108 Ų | 108 | 96.1 Ų | 96.1 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.6 | -42.8 | 175.5 | -168.1 | 97.6 | 0 | 0 | 0 | 111.7 | I489 T490 L496 T497 | I489-L493 WeakPolarHBondContact O-CB 3.31Å; I489-L493 PolarHBondContact O-N 2.82Å; T490-L493 PolarHBondContact O-N 3.02Å; L493-L496 PolarHBondContact O-N 2.83Å; L493-T497 WeakPolarHBondContact O-CB 3.39Å; L493-T497 PolarHBondContact O-N 3.33Å; L493-T497 PolarHBondContact O-OG1 2.79Å |
| 494 | N | 94.6 | Very high | 94.4 | Very high | 92 Ų | 92 | 97 Ų | 97 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.7 | -71.5 | -24.4 | 0 | 0 | 0 | 111.4 | T490 S491 E492 T497 E498 | T490-N494 PolarHBondContact O-N 3.35Å; T490-N494 PolarHBondContact O-ND2 2.96Å; S491-N494 PolarHBondContact O-N 3.3Å; E492-N494 VanDerWaalsContact C-N 3.34Å; E492-N494 PolarHBondContact O-N 3.33Å; N494-T497 PolarHBondContact O-N 2.81Å; N494-E498 WeakPolarHBondContact O-CG 3.28Å; N494-E498 PolarHBondContact O-N 3.34Å |
| 495 | L | 94.8 | Very high | 94.6 | Very high | 113 Ų | 113 | 98.8 Ų | 98.8 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 175.6 | -69.9 | 173.6 | 0 | 0 | 0 | 112.1 | S491 E492 T497 E498 Q499 | S491-L495 WeakPolarHBondContact O-CG 3.33Å; S491-L495 PolarHBondContact O-N 3.35Å; E492-L495 PolarHBondContact O-N 3.49Å; L495-T497 VanDerWaalsContact C-N 3.29Å; L495-T497 PolarHBondContact O-N 2.61Å; L495-E498 PolarHBondContact O-N 3.35Å; L495-Q499 WeakPolarHBondContact O-CG 3.48Å; L495-Q499 PolarHBondContact O-N 3.22Å |
| 496 | L | 94.9 | Very high | 94.7 | Very high | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.2 | -38 | 175.5 | -97 | 70 | 0 | 0 | 0 | 111.7 | E492 L493 Q499 F500 | E492-L496 WeakPolarHBondContact O-CD1 3.34Å; E492-L496 PolarHBondContact O-N 2.71Å; L493-L496 PolarHBondContact O-N 2.83Å; L496-Q499 PolarHBondContact O-N 2.84Å; L496-F500 WeakPolarHBondContact O-CB 3.29Å; L496-F500 PolarHBondContact O-N 3.46Å |
| 497 | T | 95.1 | Very high | 94.6 | Very high | 59 Ų | 59 | 97.2 Ų | 97.2 | 36% | 0.362 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 177.4 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | L493 N494 L495 F500 K501 | L493-T497 WeakPolarHBondContact O-CB 3.39Å; L493-T497 PolarHBondContact O-N 3.33Å; L493-T497 PolarHBondContact O-OG1 2.79Å; N494-T497 PolarHBondContact O-N 2.81Å; L495-T497 VanDerWaalsContact C-N 3.29Å; L495-T497 PolarHBondContact O-N 2.61Å; T497-F500 PolarHBondContact O-N 3.28Å; T497-K501 WeakPolarHBondContact O-CG 3.28Å; T497-K501 PolarHBondContact O-N 2.93Å |
| 498 | E | 95.4 | Very high | 94.7 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 174.9 | -68.1 | -56.2 | 129.7 | 0 | 0 | 112.1 | N494 L495 F500 K501 L502 | N494-E498 WeakPolarHBondContact O-CG 3.28Å; N494-E498 PolarHBondContact O-N 3.34Å; L495-E498 PolarHBondContact O-N 3.35Å; E498-F500 VanDerWaalsContact C-N 3.33Å; E498-F500 PolarHBondContact O-N 2.82Å; E498-K501 PolarHBondContact O-N 3.4Å; E498-K501 IonicContact OE1-NZ 2.74Å; E498-K501 PolarHBondContact OE1-NZ 2.91Å; E498-L502 WeakPolarHBondContact O-CG 3.29Å; E498-L502 PolarHBondContact O-N 3.18Å |
| 499 | Q | 95 | Very high | 94.6 | Very high | 116 Ų | 116 | 91.9 Ų | 91.9 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 171.9 | -74.1 | -177.4 | 2.1 | 0 | 0 | 112.1 | L495 L496 L502 N503 | L495-Q499 WeakPolarHBondContact O-CG 3.48Å; L495-Q499 PolarHBondContact O-N 3.22Å; L496-Q499 PolarHBondContact O-N 2.84Å; Q499-L502 PolarHBondContact O-N 3.41Å; Q499-N503 WeakPolarHBondContact O-CB 3.4Å; Q499-N503 VanDerWaalsContact O-CG 3.24Å; Q499-N503 PolarHBondContact O-N 3.48Å; Q499-N503 PolarHBondContact O-ND2 2.93Å |
| 500 | F | 93.5 | Very high | 94.6 | Very high | 140 Ų | 140 | 89.5 Ų | 89.5 | 61% | 0.614 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 175.9 | -174 | -92.3 | 0 | 0 | 0 | 111.6 | L496 T497 E498 L502 N503 E504 | L496-F500 WeakPolarHBondContact O-CB 3.29Å; L496-F500 PolarHBondContact O-N 3.46Å; T497-F500 PolarHBondContact O-N 3.28Å; E498-F500 VanDerWaalsContact C-N 3.33Å; E498-F500 PolarHBondContact O-N 2.82Å; F500-L502 PolarHBondContact O-N 3.4Å; F500-N503 PolarHBondContact O-N 3.47Å; F500-E504 WeakPolarHBondContact O-CB 3.4Å; F500-E504 PolarHBondContact O-N 3.29Å |
| 501 | K | 95.8 | Very high | 94.7 | Very high | 96 Ų | 96 | 91.9 Ų | 91.9 | 42% | 0.417 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 175 | -68.2 | 172.3 | -173.4 | 168.7 | 0 | 112.6 | T497 E498 N503 E504 V505 | T497-K501 WeakPolarHBondContact O-CG 3.28Å; T497-K501 PolarHBondContact O-N 2.93Å; E498-K501 PolarHBondContact O-N 3.4Å; E498-K501 IonicContact OE1-NZ 2.74Å; E498-K501 PolarHBondContact OE1-NZ 2.91Å; K501-N503 VanDerWaalsContact C-N 3.32Å; K501-N503 PolarHBondContact O-N 2.97Å; K501-E504 PolarHBondContact O-N 3.07Å; K501-V505 WeakPolarHBondContact O-CG2 3.44Å; K501-V505 PolarHBondContact O-N 2.92Å |
| 502 | L | 94.6 | Very high | 94.8 | Very high | 119 Ų | 119 | 94.8 Ų | 94.8 | 62% | 0.623 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 175.1 | -78 | 163 | 0 | 0 | 0 | 111.5 | E498 Q499 F500 V505 S506 | E498-L502 WeakPolarHBondContact O-CG 3.29Å; E498-L502 PolarHBondContact O-N 3.18Å; Q499-L502 PolarHBondContact O-N 3.41Å; F500-L502 PolarHBondContact O-N 3.4Å; L502-V505 PolarHBondContact O-N 2.9Å; L502-S506 PolarHBondContact O-N 3.48Å; L502-S506 PolarHBondContact O-OG 3.38Å |
| 503 | N | 94.3 | Very high | 94.9 | Very high | 93 Ų | 93 | 97.4 Ų | 97.4 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 176.1 | -69.9 | -16.8 | 0 | 0 | 0 | 111.4 | Q499 F500 K501 V505 S506 L507 | Q499-N503 WeakPolarHBondContact O-CB 3.4Å; Q499-N503 VanDerWaalsContact O-CG 3.24Å; Q499-N503 PolarHBondContact O-N 3.48Å; Q499-N503 PolarHBondContact O-ND2 2.93Å; F500-N503 PolarHBondContact O-N 3.47Å; K501-N503 VanDerWaalsContact C-N 3.32Å; K501-N503 PolarHBondContact O-N 2.97Å; N503-V505 PolarHBondContact O-N 3.3Å; N503-S506 WeakPolarHBondContact CA-OG 3.42Å; N503-S506 PolarHBondContact O-N 2.99Å; N503-S506 PolarHBondContact O-OG 3Å; N503-L507 WeakPolarHBondContact O-CB 3.46Å; N503-L507 WeakPolarHBondContact O-CG 3.05Å; N503-L507 PolarHBondContact O-N 3.45Å |
| 504 | E | 96.8 | Very high | 95.1 | Very high | 119 Ų | 119 | 96.6 Ų | 96.6 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 175.7 | -167.8 | 178.6 | -177.7 | 0 | 0 | 112 | F500 K501 S508 | F500-E504 WeakPolarHBondContact O-CB 3.4Å; F500-E504 PolarHBondContact O-N 3.29Å; K501-E504 PolarHBondContact O-N 3.07Å; E504-S508 WeakPolarHBondContact O-CB 3.29Å; E504-S508 PolarHBondContact O-N 3.44Å |
| 505 | V | 95.9 | Very high | 95.1 | Very high | 94 Ų | 94 | 97.7 Ų | 97.7 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 174.1 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | K501 L502 N503 S508 T509 | K501-V505 WeakPolarHBondContact O-CG2 3.44Å; K501-V505 PolarHBondContact O-N 2.92Å; L502-V505 PolarHBondContact O-N 2.9Å; N503-V505 PolarHBondContact O-N 3.3Å; V505-S508 PolarHBondContact O-N 3.39Å; V505-T509 WeakPolarHBondContact O-CG2 3.49Å; V505-T509 PolarHBondContact O-N 3Å; V505-T509 PolarHBondContact O-OG1 3.37Å |
| 506 | S | 96.8 | Very high | 95.1 | Very high | 59 Ų | 59 | 97.3 Ų | 97.3 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 179.8 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | L502 N503 T509 A510 | L502-S506 PolarHBondContact O-N 3.48Å; L502-S506 PolarHBondContact O-OG 3.38Å; N503-S506 WeakPolarHBondContact CA-OG 3.42Å; N503-S506 PolarHBondContact O-N 2.99Å; N503-S506 PolarHBondContact O-OG 3Å; S506-T509 WeakPolarHBondContact CA-OG1 3.37Å; S506-T509 PolarHBondContact O-N 3.26Å; S506-T509 PolarHBondContact O-OG1 3.34Å; S506-A510 PolarHBondContact O-N 2.99Å |
| 507 | L | 92.8 | Very high | 95.2 | Very high | 106 Ų | 106 | 97.2 Ų | 97.2 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.8 | -49.2 | 170.5 | -76.9 | 169 | 0 | 0 | 0 | 111 | N503 T509 A510 E511 | N503-L507 WeakPolarHBondContact O-CB 3.46Å; N503-L507 WeakPolarHBondContact O-CG 3.05Å; N503-L507 PolarHBondContact O-N 3.45Å; L507-T509 VanDerWaalsContact C-N 3.26Å; L507-T509 PolarHBondContact O-N 3.34Å; L507-A510 CarbonylContact O-C 3.6Å; L507-A510 WeakPolarHBondContact O-CA 3.44Å; L507-A510 WeakPolarHBondContact O-CB 3.39Å; L507-A510 PolarHBondContact O-N 2.9Å; L507-E511 WeakPolarHBondContact O-CG 3.48Å; L507-E511 PolarHBondContact O-N 3Å |
| 508 | S | 94.6 | Very high | 95.1 | Very high | 41 Ų | 41 | 99.3 Ų | 99.3 | 29% | 0.287 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.2 | -36.2 | 176.8 | -175.6 | 0 | 0 | 0 | 0 | 112.8 | E504 V505 K512 | E504-S508 WeakPolarHBondContact O-CB 3.29Å; E504-S508 PolarHBondContact O-N 3.44Å; V505-S508 PolarHBondContact O-N 3.39Å; S508-K512 WeakPolarHBondContact O-CG 3.45Å; S508-K512 PolarHBondContact O-N 2.96Å; S508-K512 VanDerWaalsContact O-N 3.11Å |
| 509 | T | 94.8 | Very high | 95.1 | Very high | 66 Ų | 66 | 99.1 Ų | 99.1 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.6 | -32.5 | 173.8 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | V505 S506 L507 K513 | V505-T509 WeakPolarHBondContact O-CG2 3.49Å; V505-T509 PolarHBondContact O-N 3Å; V505-T509 PolarHBondContact O-OG1 3.37Å; S506-T509 WeakPolarHBondContact CA-OG1 3.37Å; S506-T509 PolarHBondContact O-N 3.26Å; S506-T509 PolarHBondContact O-OG1 3.34Å; L507-T509 VanDerWaalsContact C-N 3.26Å; L507-T509 PolarHBondContact O-N 3.34Å; T509-K513 VanDerWaalsContact O-CG 3.3Å; T509-K513 WeakPolarHBondContact O-CG 3.44Å; T509-K513 PolarHBondContact O-N 3.22Å; T509-K513 VanDerWaalsContact O-N 3.16Å |
| 510 | A | 94 | Very high | 95.1 | Very high | 43 Ų | 43 | 96.8 Ų | 96.8 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.4 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S506 L507 K513 I514 | S506-A510 PolarHBondContact O-N 2.99Å; L507-A510 CarbonylContact O-C 3.6Å; L507-A510 WeakPolarHBondContact O-CA 3.44Å; L507-A510 WeakPolarHBondContact O-CB 3.39Å; L507-A510 PolarHBondContact O-N 2.9Å; A510-K513 WeakPolarHBondContact O-CB 3.45Å; A510-K513 PolarHBondContact O-N 2.97Å; A510-K513 VanDerWaalsContact O-N 3.14Å; A510-I514 WeakPolarHBondContact O-CG1 3.44Å; A510-I514 PolarHBondContact O-N 2.93Å |
| 511 | E | 95 | Very high | 95.2 | Very high | 113 Ų | 113 | 94.8 Ų | 94.8 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.5 | -51 | 173.7 | -71.7 | 171.3 | 164.1 | 0 | 0 | 111 | L507 K513 I514 E515 | L507-E511 WeakPolarHBondContact O-CG 3.48Å; L507-E511 PolarHBondContact O-N 3Å; E511-K513 VanDerWaalsContact C-N 3.27Å; E511-K513 PolarHBondContact O-N 3.5Å; E511-I514 WeakPolarHBondContact O-CA 3.47Å; E511-I514 WeakPolarHBondContact O-CB 3.44Å; E511-I514 PolarHBondContact O-N 3.37Å; E511-E515 WeakPolarHBondContact O-CG 3.38Å; E511-E515 PolarHBondContact O-N 3.44Å |
| 512 | K | 95.8 | Very high | 95 | Very high | 120 Ų | 120 | 97.8 Ų | 97.8 | 52% | 0.522 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -35.7 | 175.5 | -72.2 | 170.1 | -177.1 | 164.8 | 0 | 113.2 | S508 L516 | S508-K512 WeakPolarHBondContact O-CG 3.45Å; S508-K512 PolarHBondContact O-N 2.96Å; S508-K512 VanDerWaalsContact O-N 3.11Å; K512-L516 WeakPolarHBondContact O-CB 3.29Å; K512-L516 VanDerWaalsContact O-CG 3.26Å; K512-L516 WeakPolarHBondContact O-CG 3.49Å; K512-L516 PolarHBondContact O-N 2.97Å |
| 513 | K | 96.7 | Very high | 95 | Very high | 136 Ų | 136 | 97.2 Ų | 97.2 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.7 | -37.9 | 175.1 | -77.5 | 172.8 | -178.3 | 176.4 | 0 | 111.6 | T509 A510 E511 L517 | T509-K513 VanDerWaalsContact O-CG 3.3Å; T509-K513 WeakPolarHBondContact O-CG 3.44Å; T509-K513 PolarHBondContact O-N 3.22Å; T509-K513 VanDerWaalsContact O-N 3.16Å; A510-K513 WeakPolarHBondContact O-CB 3.45Å; A510-K513 PolarHBondContact O-N 2.97Å; A510-K513 VanDerWaalsContact O-N 3.14Å; E511-K513 VanDerWaalsContact C-N 3.27Å; E511-K513 PolarHBondContact O-N 3.5Å; K513-L517 WeakPolarHBondContact O-CB 3.42Å; K513-L517 VanDerWaalsContact O-CG 3.28Å; K513-L517 WeakPolarHBondContact O-CG 3.33Å; K513-L517 PolarHBondContact O-N 2.93Å |
| 514 | I | 95.5 | Very high | 94.9 | Very high | 91 Ų | 91 | 100.5 Ų | 100.5 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -48.4 | 175.1 | -69 | 165.8 | 0 | 0 | 0 | 109.5 | A510 E511 L516 L517 E518 | A510-I514 WeakPolarHBondContact O-CG1 3.44Å; A510-I514 PolarHBondContact O-N 2.93Å; E511-I514 WeakPolarHBondContact O-CA 3.47Å; E511-I514 WeakPolarHBondContact O-CB 3.44Å; E511-I514 PolarHBondContact O-N 3.37Å; I514-L516 VanDerWaalsContact C-N 3.32Å; I514-L516 PolarHBondContact O-N 3.45Å; I514-L517 PolarHBondContact O-N 3.34Å; I514-L517 VanDerWaalsContact O-N 3.08Å; I514-E518 HydrophobicContact CG2-CG 4.19Å; I514-E518 WeakPolarHBondContact CG2-OE1 3.35Å; I514-E518 WeakPolarHBondContact O-CB 3.43Å; I514-E518 WeakPolarHBondContact O-CG 3.46Å; I514-E518 PolarHBondContact O-N 3.03Å |
| 515 | E | 95.3 | Very high | 94.8 | Very high | 116 Ų | 116 | 99.2 Ų | 99.2 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.7 | -44.9 | 176.7 | -70 | 172.6 | 178.2 | 0 | 0 | 112.2 | E511 E518 E519 | E511-E515 WeakPolarHBondContact O-CG 3.38Å; E511-E515 PolarHBondContact O-N 3.44Å; E515-E518 PolarHBondContact O-N 3.38Å; E515-E519 PolarHBondContact O-N 3.42Å |
| 516 | L | 94.1 | Very high | 94.6 | Very high | 105 Ų | 105 | 98.4 Ų | 98.4 | 55% | 0.55 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 175.6 | -74.1 | 169.6 | 0 | 0 | 0 | 112.2 | K512 I514 E519 T520 | K512-L516 WeakPolarHBondContact O-CB 3.29Å; K512-L516 VanDerWaalsContact O-CG 3.26Å; K512-L516 WeakPolarHBondContact O-CG 3.49Å; K512-L516 PolarHBondContact O-N 2.97Å; I514-L516 VanDerWaalsContact C-N 3.32Å; I514-L516 PolarHBondContact O-N 3.45Å; L516-E519 PolarHBondContact O-N 3.5Å; L516-T520 WeakPolarHBondContact O-CG2 3.22Å; L516-T520 PolarHBondContact O-N 3.43Å |
| 517 | L | 97.3 | Very high | 94.5 | Very high | 108 Ų | 108 | 100.7 Ų | 100.7 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.9 | -41.7 | 177 | -73.2 | 171.9 | 0 | 0 | 0 | 111.4 | K513 I514 E519 T520 I521 | K513-L517 WeakPolarHBondContact O-CB 3.42Å; K513-L517 VanDerWaalsContact O-CG 3.28Å; K513-L517 WeakPolarHBondContact O-CG 3.33Å; K513-L517 PolarHBondContact O-N 2.93Å; I514-L517 PolarHBondContact O-N 3.34Å; I514-L517 VanDerWaalsContact O-N 3.08Å; L517-E519 VanDerWaalsContact C-N 3.29Å; L517-E519 PolarHBondContact O-N 3.06Å; L517-T520 WeakPolarHBondContact CA-OG1 3.36Å; L517-T520 PolarHBondContact O-N 2.77Å; L517-T520 PolarHBondContact O-OG1 3.26Å; L517-I521 WeakPolarHBondContact O-CG1 3.2Å; L517-I521 PolarHBondContact O-N 3.25Å |
| 518 | E | 94.3 | Very high | 94.3 | Very high | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -35.8 | 174.6 | -72.4 | 176.2 | 169.8 | 0 | 0 | 112.1 | I514 E515 R522 | I514-E518 HydrophobicContact CG2-CG 4.19Å; I514-E518 WeakPolarHBondContact CG2-OE1 3.35Å; I514-E518 WeakPolarHBondContact O-CB 3.43Å; I514-E518 WeakPolarHBondContact O-CG 3.46Å; I514-E518 PolarHBondContact O-N 3.03Å; E515-E518 PolarHBondContact O-N 3.38Å; E518-R522 WeakPolarHBondContact O-CB 3.41Å; E518-R522 VanDerWaalsContact O-CG 3.29Å; E518-R522 WeakPolarHBondContact O-CG 3.5Å; E518-R522 PolarHBondContact O-N 2.89Å; E518-R522 PolarHBondContact O-NE 2.67Å |
| 519 | E | 93.9 | Very high | 93.9 | Very high | 97 Ų | 97 | 102.4 Ų | 102.4 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 171 | -168.4 | 166.1 | -152.5 | 0 | 0 | 111.8 | E515 L516 L517 I521 R522 E523 | E515-E519 PolarHBondContact O-N 3.42Å; L516-E519 PolarHBondContact O-N 3.5Å; L517-E519 VanDerWaalsContact C-N 3.29Å; L517-E519 PolarHBondContact O-N 3.06Å; E519-I521 VanDerWaalsContact C-N 3.3Å; E519-I521 PolarHBondContact O-N 3.34Å; E519-R522 PolarHBondContact O-N 3.13Å; E519-E523 WeakPolarHBondContact O-CG 3.42Å; E519-E523 PolarHBondContact O-N 2.69Å |
| 520 | T | 95 | Very high | 93.6 | Very high | 66 Ų | 66 | 103.8 Ų | 103.8 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -35.3 | 176.8 | 62.5 | 0 | 0 | 0 | 0 | 113.2 | L516 L517 R524 | L516-T520 WeakPolarHBondContact O-CG2 3.22Å; L516-T520 PolarHBondContact O-N 3.43Å; L517-T520 WeakPolarHBondContact CA-OG1 3.36Å; L517-T520 PolarHBondContact O-N 2.77Å; L517-T520 PolarHBondContact O-OG1 3.26Å; T520-R524 VanDerWaalsContact O-CG 3.23Å; T520-R524 WeakPolarHBondContact O-CG 3.39Å; T520-R524 PolarHBondContact O-N 2.99Å |
| 521 | I | 95.2 | Very high | 93.2 | Very high | 98 Ų | 98 | 106.5 Ų | 106.5 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 175.3 | -69.4 | 167.5 | 0 | 0 | 0 | 109.9 | L517 E519 E523 R524 D525 | L517-I521 WeakPolarHBondContact O-CG1 3.2Å; L517-I521 PolarHBondContact O-N 3.25Å; E519-I521 VanDerWaalsContact C-N 3.3Å; E519-I521 PolarHBondContact O-N 3.34Å; I521-E523 VanDerWaalsContact C-N 3.3Å; I521-E523 PolarHBondContact O-N 2.93Å; I521-R524 PolarHBondContact O-N 3.48Å; I521-R524 VanDerWaalsContact O-N 3.11Å; I521-D525 PolarHBondContact O-N 3.27Å |
| 522 | R | 93.4 | Very high | 92.8 | Very high | 160 Ų | 160 | 108.9 Ų | 108.9 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.9 | -40.9 | 176.6 | -76.8 | -179.8 | -70.9 | 156.4 | -2.4 | 112.5 | E518 E519 C526 | E518-R522 WeakPolarHBondContact O-CB 3.41Å; E518-R522 VanDerWaalsContact O-CG 3.29Å; E518-R522 WeakPolarHBondContact O-CG 3.5Å; E518-R522 PolarHBondContact O-N 2.89Å; E518-R522 PolarHBondContact O-NE 2.67Å; E519-R522 PolarHBondContact O-N 3.13Å; R522-C526 PolarHBondContact O-N 3.41Å; R522-C526 VanDerWaalsContact O-N 3.08Å |
| 523 | E | 94 | Very high | 92 | Very high | 107 Ų | 107 | 109.6 Ų | 109.6 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 174.2 | -72.5 | 179.6 | 166.8 | 0 | 0 | 111.8 | E519 I521 D525 C526 E527 | E519-E523 WeakPolarHBondContact O-CG 3.42Å; E519-E523 PolarHBondContact O-N 2.69Å; I521-E523 VanDerWaalsContact C-N 3.3Å; I521-E523 PolarHBondContact O-N 2.93Å; E523-D525 PolarHBondContact O-N 3.35Å; E523-C526 WeakPolarHBondContact O-CB 3.43Å; E523-C526 PolarHBondContact O-N 3.36Å; E523-C526 VanDerWaalsContact O-N 3.17Å; E523-E527 PolarHBondContact O-N 3.37Å |
| 524 | R | 92.3 | Very high | 91.6 | Very high | 161 Ų | 161 | 111.6 Ų | 111.6 | 61% | 0.608 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66 | -37.6 | 179.4 | -68.1 | -66.7 | 163.3 | 115.2 | 1.1 | 112.9 | T520 I521 C526 E527 L528 | T520-R524 VanDerWaalsContact O-CG 3.23Å; T520-R524 WeakPolarHBondContact O-CG 3.39Å; T520-R524 PolarHBondContact O-N 2.99Å; I521-R524 PolarHBondContact O-N 3.48Å; I521-R524 VanDerWaalsContact O-N 3.11Å; R524-C526 VanDerWaalsContact C-N 3.3Å; R524-C526 PolarHBondContact O-N 2.95Å; R524-E527 WeakPolarHBondContact CD-OE2 3.33Å; R524-E527 IonicContact NE-OE2 2.79Å; R524-E527 PolarHBondContact O-N 3.1Å; R524-L528 WeakPolarHBondContact O-CB 3.43Å; R524-L528 VanDerWaalsContact O-CG 3.31Å; R524-L528 WeakPolarHBondContact O-CG 3.39Å; R524-L528 PolarHBondContact O-N 3.01Å |
| 525 | D | 94.4 | Very high | 90.9 | Very high | 93 Ų | 93 | 111.7 Ų | 111.7 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 173.1 | -74.1 | -27.8 | 0 | 0 | 0 | 111 | I521 E523 L528 E529 | I521-D525 PolarHBondContact O-N 3.27Å; E523-D525 PolarHBondContact O-N 3.35Å; D525-L528 PolarHBondContact O-N 3.47Å; D525-E529 VanDerWaalsContact O-CB 3.28Å; D525-E529 WeakPolarHBondContact O-CB 3.47Å; D525-E529 PolarHBondContact O-N 3.27Å |
| 526 | C | 92 | Very high | 90 | Very high | 77 Ų | 77 | 110 Ų | 110 | 52% | 0.52 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 174.5 | -163.8 | 0 | 0 | 0 | 0 | 112.3 | R522 E523 R524 E529 L530 | R522-C526 PolarHBondContact O-N 3.41Å; R522-C526 VanDerWaalsContact O-N 3.08Å; E523-C526 WeakPolarHBondContact O-CB 3.43Å; E523-C526 PolarHBondContact O-N 3.36Å; E523-C526 VanDerWaalsContact O-N 3.17Å; R524-C526 VanDerWaalsContact C-N 3.3Å; R524-C526 PolarHBondContact O-N 2.95Å; C526-E529 WeakPolarHBondContact O-CB 3.5Å; C526-E529 PolarHBondContact O-N 2.87Å; C526-L530 WeakPolarHBondContact O-CG 3.3Å; C526-L530 PolarHBondContact O-N 3.32Å |
| 527 | E | 94.5 | Very high | 89.1 | Confident | 107 Ų | 107 | 112.8 Ų | 112.8 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 174.1 | -71.4 | -179.8 | 171.8 | 0 | 0 | 112 | E523 R524 L530 M531 | E523-E527 PolarHBondContact O-N 3.37Å; R524-E527 WeakPolarHBondContact CD-OE2 3.33Å; R524-E527 IonicContact NE-OE2 2.79Å; R524-E527 PolarHBondContact O-N 3.1Å; E527-L530 PolarHBondContact O-N 3.48Å; E527-M531 WeakPolarHBondContact O-CB 3.42Å; E527-M531 VanDerWaalsContact O-CG 3.26Å; E527-M531 WeakPolarHBondContact O-CG 3.49Å; E527-M531 PolarHBondContact O-N 3.31Å |
| 528 | L | 88.1 | Confident | 88.3 | Confident | 92 Ų | 92 | 110.6 Ų | 110.6 | 48% | 0.482 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -41 | 176.7 | -74.8 | 175 | 0 | 0 | 0 | 111.8 | R524 D525 M531 R532 | R524-L528 WeakPolarHBondContact O-CB 3.43Å; R524-L528 VanDerWaalsContact O-CG 3.31Å; R524-L528 WeakPolarHBondContact O-CG 3.39Å; R524-L528 PolarHBondContact O-N 3.01Å; D525-L528 PolarHBondContact O-N 3.47Å; L528-M531 PolarHBondContact O-N 3.34Å; L528-R532 WeakPolarHBondContact O-CB 3.29Å; L528-R532 WeakPolarHBondContact O-CG 3.48Å; L528-R532 PolarHBondContact O-N 2.93Å |
| 529 | E | 87.5 | Confident | 87.3 | Confident | 91 Ų | 91 | 110.2 Ų | 110.2 | 43% | 0.425 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 174.8 | -174.1 | 77.7 | -165.5 | 0 | 0 | 110.8 | D525 C526 R532 R533 | D525-E529 VanDerWaalsContact O-CB 3.28Å; D525-E529 WeakPolarHBondContact O-CB 3.47Å; D525-E529 PolarHBondContact O-N 3.27Å; C526-E529 WeakPolarHBondContact O-CB 3.5Å; C526-E529 PolarHBondContact O-N 2.87Å; E529-R532 PolarHBondContact O-N 3.32Å; E529-R533 WeakPolarHBondContact O-CG 3.5Å; E529-R533 PolarHBondContact O-N 2.92Å; E529-R533 IonicContact OE1-CZ 2.87Å; E529-R533 IonicContact OE1-NE 3.75Å; E529-R533 IonicContact OE1-NH2 2.8Å; E529-R533 PolarHBondContact OE1-NH2 3.42Å |
| 530 | L | 87.7 | Confident | 86.4 | Confident | 95 Ų | 95 | 108.6 Ų | 108.6 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.7 | -73.9 | 171.1 | 0 | 0 | 0 | 112.2 | C526 E527 R533 R534 | C526-L530 WeakPolarHBondContact O-CG 3.3Å; C526-L530 PolarHBondContact O-N 3.32Å; E527-L530 PolarHBondContact O-N 3.48Å; L530-R533 PolarHBondContact O-N 2.96Å; L530-R534 WeakPolarHBondContact O-CG 3.47Å; L530-R534 PolarHBondContact O-N 3.37Å |
| 531 | M | 86.4 | Confident | 85.3 | Confident | 100 Ų | 100 | 107.1 Ų | 107.1 | 49% | 0.493 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 175.3 | -73.5 | -81.4 | -84.9 | 0 | 0 | 111.6 | E527 L528 R533 R534 I535 | E527-M531 WeakPolarHBondContact O-CB 3.42Å; E527-M531 VanDerWaalsContact O-CG 3.26Å; E527-M531 WeakPolarHBondContact O-CG 3.49Å; E527-M531 PolarHBondContact O-N 3.31Å; L528-M531 PolarHBondContact O-N 3.34Å; M531-R533 VanDerWaalsContact C-N 3.35Å; M531-R533 PolarHBondContact O-N 2.87Å; M531-R534 PolarHBondContact O-N 2.99Å; M531-I535 VanDerWaalsContact O-CG1 3.31Å; M531-I535 WeakPolarHBondContact O-CG1 3.5Å; M531-I535 PolarHBondContact O-N 3.23Å |
| 532 | R | 84.6 | Confident | 84.1 | Confident | 163 Ų | 163 | 106 Ų | 106 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 174.8 | -76.1 | 173.6 | -174.6 | -84.1 | 1.9 | 111.4 | L528 E529 I535 N536 | L528-R532 WeakPolarHBondContact O-CB 3.29Å; L528-R532 WeakPolarHBondContact O-CG 3.48Å; L528-R532 PolarHBondContact O-N 2.93Å; E529-R532 PolarHBondContact O-N 3.32Å; R532-I535 PolarHBondContact O-N 2.91Å; R532-N536 WeakPolarHBondContact O-CB 3.36Å; R532-N536 PolarHBondContact O-N 2.98Å; R532-N536 PolarHBondContact O-ND2 3.44Å |
| 533 | R | 80.9 | Confident | 83.1 | Confident | 134 Ų | 134 | 104.1 Ų | 104.1 | 51% | 0.506 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 174 | -72.7 | 175.8 | -168.9 | 172.4 | 7.4 | 111 | E529 L530 M531 I535 N536 F537 | E529-R533 WeakPolarHBondContact O-CG 3.5Å; E529-R533 PolarHBondContact O-N 2.92Å; E529-R533 IonicContact OE1-CZ 2.87Å; E529-R533 IonicContact OE1-NE 3.75Å; E529-R533 IonicContact OE1-NH2 2.8Å; E529-R533 PolarHBondContact OE1-NH2 3.42Å; L530-R533 PolarHBondContact O-N 2.96Å; M531-R533 VanDerWaalsContact C-N 3.35Å; M531-R533 PolarHBondContact O-N 2.87Å; R533-I535 VanDerWaalsContact C-N 3.35Å; R533-I535 PolarHBondContact O-N 3.22Å; R533-N536 PolarHBondContact O-N 3.31Å; R533-F537 WeakPolarHBondContact O-CD2 3.45Å; R533-F537 PolarHBondContact O-N 2.98Å |
| 534 | R | 87.1 | Confident | 81.8 | Confident | 178 Ų | 178 | 104 Ų | 104 | 67% | 0.672 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57 | -45 | 177.5 | -75.1 | 172.8 | 62.8 | -170.7 | -1.1 | 112.7 | L530 M531 F537 T538 | L530-R534 WeakPolarHBondContact O-CG 3.47Å; L530-R534 PolarHBondContact O-N 3.37Å; M531-R534 PolarHBondContact O-N 2.99Å; R534-F537 PolarHBondContact O-N 3.05Å; R534-T538 PolarHBondContact O-N 3.36Å; R534-T538 PolarHBondContact O-OG1 3.01Å |
| 535 | I | 80.5 | Confident | 80.4 | Confident | 93 Ų | 93 | 102 Ų | 102 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 177.2 | -69.2 | 168.5 | 0 | 0 | 0 | 110.5 | M531 R532 R533 F537 T538 V541 | M531-I535 VanDerWaalsContact O-CG1 3.31Å; M531-I535 WeakPolarHBondContact O-CG1 3.5Å; M531-I535 PolarHBondContact O-N 3.23Å; R532-I535 PolarHBondContact O-N 2.91Å; R533-I535 VanDerWaalsContact C-N 3.35Å; R533-I535 PolarHBondContact O-N 3.22Å; I535-F537 PolarHBondContact O-N 3.37Å; I535-T538 WeakPolarHBondContact CA-OG1 3.47Å; I535-T538 VanDerWaalsContact O-CB 3.24Å; I535-T538 WeakPolarHBondContact O-CB 3.47Å; I535-T538 PolarHBondContact O-N 2.84Å; I535-T538 PolarHBondContact O-OG1 3.22Å; I535-V541 HydrophobicContact CG2-CG2 4.07Å |
| 536 | N | 76.3 | Confident | 79 | Confident | 81 Ų | 81 | 103.3 Ų | 103.3 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -28.5 | 179.1 | -82 | -28.5 | 0 | 0 | 0 | 113.7 | R532 R533 | R532-N536 WeakPolarHBondContact O-CB 3.36Å; R532-N536 PolarHBondContact O-N 2.98Å; R532-N536 PolarHBondContact O-ND2 3.44Å; R533-N536 PolarHBondContact O-N 3.31Å |
| 537 | F | 75.8 | Confident | 77.4 | Confident | 164 Ų | 164 | 104.5 Ų | 104.5 | 72% | 0.719 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 1.2 | 174.2 | -71.1 | -68 | 0 | 0 | 0 | 113.9 | R533 R534 I535 | R533-F537 WeakPolarHBondContact O-CD2 3.45Å; R533-F537 PolarHBondContact O-N 2.98Å; R534-F537 PolarHBondContact O-N 3.05Å; I535-F537 PolarHBondContact O-N 3.37Å |
| 538 | T | 79.7 | Confident | 75.5 | Confident | 61 Ų | 61 | 104 Ų | 104 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -72.5 | 124 | 176.7 | -52.5 | 0 | 0 | 0 | 0 | 108.6 | R534 I535 A540 V541 I542 | R534-T538 PolarHBondContact O-N 3.36Å; R534-T538 PolarHBondContact O-OG1 3.01Å; I535-T538 WeakPolarHBondContact CA-OG1 3.47Å; I535-T538 VanDerWaalsContact O-CB 3.24Å; I535-T538 WeakPolarHBondContact O-CB 3.47Å; I535-T538 PolarHBondContact O-N 2.84Å; I535-T538 PolarHBondContact O-OG1 3.22Å; T538-A540 HydrophobicContact CG2-CB 4.47Å; T538-A540 PolarHBondContact O-N 3.02Å; T538-V541 PolarHBondContact O-N 3.04Å; T538-I542 PolarHBondContact O-N 3.35Å |
| 539 | P | 74.8 | Confident | 73.9 | Confident | 97 Ų | 97 | 105 Ų | 105 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.4 | -28.7 | -172.2 | 17.9 | -29.8 | 0 | 0 | 0 | 113.6 | I542 Q543 | P539-I542 PolarHBondContact O-N 3.44Å; P539-Q543 PolarHBondContact O-N 3.06Å |
| 540 | A | 74.4 | Confident | 72.1 | Confident | 63 Ų | 63 | 107 Ų | 107 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | T538 Q543 E544 | T538-A540 HydrophobicContact CG2-CB 4.47Å; T538-A540 PolarHBondContact O-N 3.02Å; A540-Q543 PolarHBondContact O-N 2.87Å; A540-E544 WeakPolarHBondContact O-CB 3.37Å; A540-E544 PolarHBondContact O-N 2.9Å |
| 541 | V | 71.4 | Confident | 70.1 | Confident | 35 Ų | 35 | 104.4 Ų | 104.4 | 21% | 0.212 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -72.2 | -33 | 178.9 | 179.6 | 0 | 0 | 0 | 0 | 111 | I535 T538 E544 K545 | I535-V541 HydrophobicContact CG2-CG2 4.07Å; T538-V541 PolarHBondContact O-N 3.04Å; V541-E544 PolarHBondContact O-N 3.3Å; V541-K545 WeakPolarHBondContact O-CG 3.45Å; V541-K545 PolarHBondContact O-N 3Å |
| 542 | I | 69.6 | Low | 68.4 | Low | 73 Ų | 73 | 106.2 Ų | 106.2 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -49.4 | 173.9 | -60.1 | 169.5 | 0 | 0 | 0 | 109.6 | T538 P539 E544 K545 E546 | T538-I542 PolarHBondContact O-N 3.35Å; P539-I542 PolarHBondContact O-N 3.44Å; I542-E544 VanDerWaalsContact C-N 3.31Å; I542-E544 PolarHBondContact O-N 3.47Å; I542-K545 PolarHBondContact O-N 3.44Å; I542-E546 WeakPolarHBondContact O-CG 3.49Å; I542-E546 PolarHBondContact O-N 3.01Å |
| 543 | Q | 72.2 | Confident | 66.6 | Low | 122 Ų | 122 | 107.4 Ų | 107.4 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.2 | -38.6 | 173.1 | -93.9 | -176.5 | -14.6 | 0 | 0 | 112.6 | P539 A540 E546 L547 | P539-Q543 PolarHBondContact O-N 3.06Å; A540-Q543 PolarHBondContact O-N 2.87Å; Q543-E546 PolarHBondContact O-N 2.87Å; Q543-L547 VanDerWaalsContact O-CB 3.27Å; Q543-L547 WeakPolarHBondContact O-CB 3.44Å; Q543-L547 VanDerWaalsContact O-CG 3.22Å; Q543-L547 WeakPolarHBondContact O-CG 3.4Å; Q543-L547 PolarHBondContact O-N 3.27Å |
| 544 | E | 66.9 | Low | 64.8 | Low | 105 Ų | 105 | 105.5 Ų | 105.5 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177.8 | -171.7 | 172.9 | -176.8 | 0 | 0 | 111.7 | A540 V541 I542 E546 L547 Q548 | A540-E544 WeakPolarHBondContact O-CB 3.37Å; A540-E544 PolarHBondContact O-N 2.9Å; V541-E544 PolarHBondContact O-N 3.3Å; I542-E544 VanDerWaalsContact C-N 3.31Å; I542-E544 PolarHBondContact O-N 3.47Å; E544-E546 VanDerWaalsContact C-N 3.35Å; E544-L547 PolarHBondContact O-N 2.95Å; E544-Q548 VanDerWaalsContact O-CB 3.31Å; E544-Q548 WeakPolarHBondContact O-CB 3.48Å; E544-Q548 PolarHBondContact O-N 2.98Å |
| 545 | K | 64.7 | Low | 62.1 | Low | 118 Ų | 118 | 104.6 Ų | 104.6 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -40 | 172.2 | -77.8 | -178.9 | -179.9 | 173.9 | 0 | 111.7 | V541 I542 V549 | V541-K545 WeakPolarHBondContact O-CG 3.45Å; V541-K545 PolarHBondContact O-N 3Å; I542-K545 PolarHBondContact O-N 3.44Å; K545-V549 VanDerWaalsContact O-CG2 3.31Å; K545-V549 WeakPolarHBondContact O-CG2 3.41Å; K545-V549 PolarHBondContact O-N 3.04Å |
| 546 | E | 64 | Low | 59.7 | Low | 120 Ų | 120 | 106.3 Ų | 106.3 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -42.7 | 174.5 | -70.3 | 176.2 | 171.1 | 0 | 0 | 111.6 | I542 Q543 E544 V549 M550 | I542-E546 WeakPolarHBondContact O-CG 3.49Å; I542-E546 PolarHBondContact O-N 3.01Å; Q543-E546 PolarHBondContact O-N 2.87Å; E544-E546 VanDerWaalsContact C-N 3.35Å; E546-V549 PolarHBondContact O-N 3.42Å; E546-M550 PolarHBondContact O-N 2.8Å |
| 547 | L | 58.1 | Low | 57.5 | Low | 102 Ų | 102 | 107.3 Ų | 107.3 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73.3 | -33.3 | 179.5 | -72.8 | 169.6 | 0 | 0 | 0 | 112.6 | Q543 E544 V549 M550 S551 | Q543-L547 VanDerWaalsContact O-CB 3.27Å; Q543-L547 WeakPolarHBondContact O-CB 3.44Å; Q543-L547 VanDerWaalsContact O-CG 3.22Å; Q543-L547 WeakPolarHBondContact O-CG 3.4Å; Q543-L547 PolarHBondContact O-N 3.27Å; E544-L547 PolarHBondContact O-N 2.95Å; L547-V549 VanDerWaalsContact C-N 3.34Å; L547-M550 CarbonylContact O-C 3.57Å; L547-M550 WeakPolarHBondContact O-CA 3.38Å; L547-M550 PolarHBondContact O-N 3.1Å; L547-M550 VanDerWaalsContact O-N 3.12Å; L547-S551 WeakPolarHBondContact O-CB 3.3Å; L547-S551 PolarHBondContact O-N 3.44Å |
| 548 | Q | 55.8 | Low | 55.2 | Low | 98 Ų | 98 | 106.9 Ų | 106.9 | 46% | 0.458 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.6 | -33.1 | 173.1 | -90.8 | 169.7 | 1.6 | 0 | 0 | 112 | E544 M550 S551 N552 | E544-Q548 VanDerWaalsContact O-CB 3.31Å; E544-Q548 WeakPolarHBondContact O-CB 3.48Å; E544-Q548 PolarHBondContact O-N 2.98Å; Q548-M550 PolarHBondContact O-N 3.08Å; Q548-S551 PolarHBondContact O-N 2.94Å; Q548-N552 WeakPolarHBondContact O-CB 3.48Å; Q548-N552 PolarHBondContact O-N 3.42Å; Q548-N552 VanDerWaalsContact O-N 3.16Å; Q548-N552 PolarHBondContact O-ND2 3.41Å |
| 549 | V | 54.4 | Low | 53 | Low | 111 Ų | 111 | 110 Ų | 110 | 67% | 0.673 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.3 | -30.4 | 170.3 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | K545 E546 L547 | K545-V549 VanDerWaalsContact O-CG2 3.31Å; K545-V549 WeakPolarHBondContact O-CG2 3.41Å; K545-V549 PolarHBondContact O-N 3.04Å; E546-V549 PolarHBondContact O-N 3.42Å; L547-V549 VanDerWaalsContact C-N 3.34Å |
| 550 | M | 49.2 | Very low | 50.6 | Low | 134 Ų | 134 | 114.2 Ų | 114.2 | 66% | 0.66 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -82.5 | -38.5 | 174.4 | -70.4 | -177.4 | 43.9 | 0 | 0 | 113.8 | E546 L547 Q548 K553 | E546-M550 PolarHBondContact O-N 2.8Å; L547-M550 CarbonylContact O-C 3.57Å; L547-M550 WeakPolarHBondContact O-CA 3.38Å; L547-M550 PolarHBondContact O-N 3.1Å; L547-M550 VanDerWaalsContact O-N 3.12Å; Q548-M550 PolarHBondContact O-N 3.08Å; M550-K553 PolarHBondContact O-N 3.06Å |
| 551 | S | 45.9 | Very low | 48.7 | Very low | 41 Ų | 41 | 113.9 Ų | 113.9 | 29% | 0.287 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -74.3 | -32.4 | -174.2 | -154.8 | 0 | 0 | 0 | 0 | 112.8 | L547 Q548 K553 S554 E555 | L547-S551 WeakPolarHBondContact O-CB 3.3Å; L547-S551 PolarHBondContact O-N 3.44Å; Q548-S551 PolarHBondContact O-N 2.94Å; S551-K553 PolarHBondContact O-N 2.91Å; S551-S554 PolarHBondContact O-N 3.47Å; S551-S554 VanDerWaalsContact O-N 3.15Å; S551-E555 PolarHBondContact OG-OE1 2.99Å; S551-E555 VanDerWaalsContact OG-OE1 3.07Å |
| 552 | N | 49.5 | Very low | 47.1 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 74% | 0.738 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 2.2 | 175 | -71.1 | -19.9 | 0 | 0 | 0 | 114 | Q548 | Q548-N552 WeakPolarHBondContact O-CB 3.48Å; Q548-N552 PolarHBondContact O-N 3.42Å; Q548-N552 VanDerWaalsContact O-N 3.16Å; Q548-N552 PolarHBondContact O-ND2 3.41Å |
| 553 | K | 48.4 | Very low | 45.9 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 82% | 0.817 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -1.1 | 174.4 | -76.1 | -175.7 | 176.6 | 177.1 | 0 | 115.8 | M550 S551 | M550-K553 PolarHBondContact O-N 3.06Å; S551-K553 PolarHBondContact O-N 2.91Å |
| 554 | S | 41.5 | Very low | 44.8 | Very low | 93 Ų | 93 | 122.2 Ų | 122.2 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.2 | 1.8 | -174.8 | 49.5 | 0 | 0 | 0 | 0 | 118.5 | S551 T556 | S551-S554 PolarHBondContact O-N 3.47Å; S551-S554 VanDerWaalsContact O-N 3.15Å; S554-T556 PolarHBondContact O-N 3.32Å; S554-T556 VanDerWaalsContact O-N 3.12Å |
| 555 | E | 30.7 | Very low | 44 | Very low | 159 Ų | 159 | 122.2 Ų | 122.2 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | trans | -88.9 | 74.3 | -178.9 | -73 | 180 | 177.6 | 0 | 0 | 113.3 | S551 | S551-E555 PolarHBondContact OG-OE1 2.99Å; S551-E555 VanDerWaalsContact OG-OE1 3.07Å | ||
| 556 | T | 30.7 | Very low | 43.2 | Very low | 130 Ų | 130 | 121.9 Ų | 121.9 | 80% | 0.798 | 66% | 0.664 | S | S | * | * | trans | -134.5 | 128.4 | 154.9 | -36.4 | 0 | 0 | 0 | 0 | 108.9 | S554 | S554-T556 PolarHBondContact O-N 3.32Å; S554-T556 VanDerWaalsContact O-N 3.12Å | ||
| 557 | S | 30.6 | Very low | 42.7 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | trans | 100.2 | 104.9 | 164.2 | 77.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 558 | L | 26.9 | Very low | 42.4 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 82% | 0.817 | 67% | 0.666 | S | S | * | * | 61.8 | 163 | 125.1 | -75.7 | 140.5 | 0 | 0 | 0 | 118.1 | |||||
| 559 | P | 33 | Very low | 42 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 83% | 0.825 | 68% | 0.679 | S | S | * | * | cis | -133.4 | 161.4 | 9.8 | 29 | -5.2 | 0 | 0 | 0 | 116.7 | ||||
| 560 | F | 25.4 | Very low | 42.1 | Very low | 185 Ų | 185 | 126 Ų | 126 | 81% | 0.811 | 68% | 0.676 | S | S | * | * | trans | -95.6 | 148.3 | -172.5 | -171.6 | -97.4 | 0 | 0 | 0 | 110.6 | ||||
| 561 | G | 33.5 | Very low | 42.5 | Very low | 56 Ų | 56 | 128.4 Ų | 128.4 | 58% | 0.577 | 68% | 0.678 | S | S | * | * | trans | 125 | 33.5 | 145.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 562 | I | 39.1 | Very low | 43.1 | Very low | 158 Ų | 158 | 132 Ų | 132 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -124.5 | -12.4 | 167 | -54.8 | 179.6 | 0 | 0 | 0 | 114 | E564 | I562-E564 VanDerWaalsContact C-N 3.33Å; I562-E564 PolarHBondContact O-N 2.95Å |
| 563 | E | 44.1 | Very low | 43.6 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 65% | 0.645 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -3.4 | -176.2 | -141.2 | -172.2 | -138.4 | 0 | 0 | 114.6 | K567 | E563-K567 IonicContact OE2-NZ 3.59Å; E563-K567 PolarHBondContact OE2-NZ 3.47Å |
| 564 | E | 49.1 | Very low | 44.4 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 51% | 0.509 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -80.7 | -24.4 | -167.2 | -135.4 | 163.9 | -159.1 | 0 | 0 | 113.4 | I562 Y568 | I562-E564 VanDerWaalsContact C-N 3.33Å; I562-E564 PolarHBondContact O-N 2.95Å; E564-Y568 HydrophobicContact CG-CE2 4.42Å; E564-Y568 WeakPolarHBondContact O-CD2 3.38Å; E564-Y568 WeakPolarHBondContact O-CE2 3.43Å |
| 565 | T | 48.9 | Very low | 45.5 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 64% | 0.644 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -80.6 | -28.1 | -175.9 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 566 | T | 48.1 | Very low | 47 | Very low | 110 Ų | 110 | 124 Ų | 124 | 68% | 0.675 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.5 | -24.2 | 179.8 | -26.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 567 | K | 54.5 | Low | 48.7 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 57% | 0.574 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.3 | -24.2 | 177 | -83.3 | 170.9 | 177.1 | 152.3 | 0 | 113.7 | E563 R571 | E563-K567 IonicContact OE2-NZ 3.59Å; E563-K567 PolarHBondContact OE2-NZ 3.47Å; K567-R571 PolarHBondContact O-N 3.24Å |
| 568 | Y | 51 | Low | 50.7 | Low | 144 Ų | 144 | 125 Ų | 125 | 57% | 0.565 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.5 | -39.2 | -179.2 | -80.8 | -77.3 | 0 | 0 | 0 | 113.3 | E564 R571 | E564-Y568 HydrophobicContact CG-CE2 4.42Å; E564-Y568 WeakPolarHBondContact O-CD2 3.38Å; E564-Y568 WeakPolarHBondContact O-CE2 3.43Å; Y568-R571 PolarHBondContact O-N 2.91Å |
| 569 | F | 48.4 | Very low | 52.7 | Low | 169 Ų | 169 | 120.8 Ų | 120.8 | 74% | 0.741 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.8 | -35.4 | -179.4 | -78.4 | -76.3 | 0 | 0 | 0 | 113.2 | R571 | F569-R571 PolarHBondContact O-N 2.95Å |
| 570 | A | 55.3 | Low | 54.5 | Low | 72 Ų | 72 | 116.3 Ų | 116.3 | 60% | 0.595 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.4 | -21.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 571 | R | 58.6 | Low | 56.6 | Low | 186 Ų | 186 | 111.6 Ų | 111.6 | 70% | 0.702 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -78.3 | -28.6 | -175.5 | -156.5 | 168.4 | -175.3 | 175 | 0.5 | 113.6 | K567 Y568 F569 I575 | K567-R571 PolarHBondContact O-N 3.24Å; Y568-R571 PolarHBondContact O-N 2.91Å; F569-R571 PolarHBondContact O-N 2.95Å; R571-I575 VanDerWaalsContact O-CG1 3.3Å; R571-I575 WeakPolarHBondContact O-CG1 3.37Å |
| 572 | I | 58.4 | Low | 58.3 | Low | 115 Ų | 115 | 113.2 Ų | 113.2 | 59% | 0.59 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -77.3 | -39.8 | -174.8 | -66.4 | 170.3 | 0 | 0 | 0 | 112 | F574 I575 | I572-F574 PolarHBondContact O-N 3.47Å; I572-I575 WeakPolarHBondContact O-CG1 3.43Å; I572-I575 PolarHBondContact O-N 3.46Å |
| 573 | V | 60.4 | Low | 59.7 | Low | 127 Ų | 127 | 112 Ų | 112 | 77% | 0.77 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.7 | -21.5 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 574 | F | 63.3 | Low | 60.9 | Low | 88 Ų | 88 | 112.5 Ų | 112.5 | 39% | 0.386 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -77.1 | -23.7 | 178.2 | -148 | -66.1 | 0 | 0 | 0 | 112.8 | I572 K577 K578 | I572-F574 PolarHBondContact O-N 3.47Å; F574-K577 HydrophobicContact CD1-CB 4.4Å; F574-K577 HydrophobicContact CE1-CB 4.22Å; F574-K577 PolarHBondContact O-N 2.92Å; F574-K577 VanDerWaalsContact O-N 3.13Å; F574-K578 HydrophobicContact CD1-CB 4Å; F574-K578 HydrophobicContact CD1-CD 3.08Å; F574-K578 HydrophobicContact CD1-CG 4.15Å; F574-K578 HydrophobicContact CE1-CB 4.4Å; F574-K578 HydrophobicContact CE1-CD 3.07Å; F574-K578 HydrophobicContact CE1-CG 4.35Å; F574-K578 HydrophobicContact CG-CD 4.23Å; F574-K578 HydrophobicContact CZ-CD 4.15Å; F574-K578 PolarHBondContact O-N 3.15Å |
| 575 | I | 64.7 | Low | 61.9 | Low | 97 Ų | 97 | 111 Ų | 111 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -52.9 | -48.1 | -167.3 | -57.5 | 175.6 | 0 | 0 | 0 | 113.3 | R571 I572 K577 K578 V579 | R571-I575 VanDerWaalsContact O-CG1 3.3Å; R571-I575 WeakPolarHBondContact O-CG1 3.37Å; I572-I575 WeakPolarHBondContact O-CG1 3.43Å; I572-I575 PolarHBondContact O-N 3.46Å; I575-K577 PolarHBondContact O-N 3.09Å; I575-K578 WeakPolarHBondContact O-CB 3.37Å; I575-K578 PolarHBondContact O-N 3.49Å; I575-V579 HydrophobicContact CG2-CG2 4.45Å; I575-V579 WeakPolarHBondContact O-CG2 3.43Å; I575-V579 PolarHBondContact O-N 3.46Å |
| 576 | P | 62.2 | Low | 62.9 | Low | 99 Ų | 99 | 110.5 Ų | 110.5 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.1 | -36.7 | -178.2 | -20.5 | 34.1 | 0 | 0 | 0 | 113.8 | K578 V579 G580 | P576-K578 VanDerWaalsContact C-N 3.35Å; P576-V579 PolarHBondContact O-N 3.36Å; P576-G580 PolarHBondContact O-N 2.93Å |
| 577 | K | 67.7 | Low | 63.9 | Low | 153 Ų | 153 | 111.2 Ų | 111.2 | 67% | 0.665 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -39.4 | 172.2 | -84.9 | -172.8 | 174.3 | -176.8 | 0 | 111.3 | F574 I575 V579 G580 E581 | F574-K577 HydrophobicContact CD1-CB 4.4Å; F574-K577 HydrophobicContact CE1-CB 4.22Å; F574-K577 PolarHBondContact O-N 2.92Å; F574-K577 VanDerWaalsContact O-N 3.13Å; I575-K577 PolarHBondContact O-N 3.09Å; K577-V579 VanDerWaalsContact C-N 3.33Å; K577-V579 PolarHBondContact O-N 3.29Å; K577-G580 PolarHBondContact O-N 2.9Å; K577-E581 WeakPolarHBondContact O-CB 3.49Å; K577-E581 VanDerWaalsContact O-CG 3.3Å; K577-E581 WeakPolarHBondContact O-CG 3.27Å; K577-E581 PolarHBondContact O-N 2.83Å |
| 578 | K | 71.1 | Confident | 64.6 | Low | 98 Ų | 98 | 108.1 Ų | 108.1 | 43% | 0.426 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.2 | -42 | 175 | -133.5 | 76.5 | -169.9 | 158.3 | 0 | 111.2 | F574 I575 P576 E581 I582 | F574-K578 HydrophobicContact CD1-CB 4Å; F574-K578 HydrophobicContact CD1-CD 3.08Å; F574-K578 HydrophobicContact CD1-CG 4.15Å; F574-K578 HydrophobicContact CE1-CB 4.4Å; F574-K578 HydrophobicContact CE1-CD 3.07Å; F574-K578 HydrophobicContact CE1-CG 4.35Å; F574-K578 HydrophobicContact CG-CD 4.23Å; F574-K578 HydrophobicContact CZ-CD 4.15Å; F574-K578 PolarHBondContact O-N 3.15Å; I575-K578 WeakPolarHBondContact O-CB 3.37Å; I575-K578 PolarHBondContact O-N 3.49Å; P576-K578 VanDerWaalsContact C-N 3.35Å; K578-E581 IonicContact NZ-OE2 3.97Å; K578-E581 PolarHBondContact NZ-OE2 3.01Å; K578-E581 PolarHBondContact O-N 3.23Å; K578-I582 HydrophobicContact CB-CD1 4.42Å; K578-I582 HydrophobicContact CG-CD1 4.29Å; K578-I582 VanDerWaalsContact O-CB 3.29Å; K578-I582 WeakPolarHBondContact O-CB 3.47Å; K578-I582 VanDerWaalsContact O-CD1 3.27Å; K578-I582 WeakPolarHBondContact O-CD1 3.45Å; K578-I582 WeakPolarHBondContact O-CG1 3.29Å; K578-I582 PolarHBondContact O-N 3.49Å |
| 579 | V | 70.8 | Confident | 65.6 | Low | 68 Ų | 68 | 104.7 Ų | 104.7 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | -179.3 | 175 | 0 | 0 | 0 | 0 | 111.3 | I575 P576 K577 I582 E583 | I575-V579 HydrophobicContact CG2-CG2 4.45Å; I575-V579 WeakPolarHBondContact O-CG2 3.43Å; I575-V579 PolarHBondContact O-N 3.46Å; P576-V579 PolarHBondContact O-N 3.36Å; K577-V579 VanDerWaalsContact C-N 3.33Å; K577-V579 PolarHBondContact O-N 3.29Å; V579-I582 CarbonylContact O-C 3.5Å; V579-I582 WeakPolarHBondContact O-CB 3.35Å; V579-I582 PolarHBondContact O-N 3.47Å; V579-I582 VanDerWaalsContact O-N 3.15Å; V579-E583 PolarHBondContact O-N 3.06Å |
| 580 | G | 69.9 | Low | 66.5 | Low | 33 Ų | 33 | 101.6 Ų | 101.6 | 34% | 0.34 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P576 K577 I582 E583 Q584 | P576-G580 PolarHBondContact O-N 2.93Å; K577-G580 PolarHBondContact O-N 2.9Å; G580-I582 VanDerWaalsContact C-N 3.31Å; G580-E583 PolarHBondContact O-N 2.82Å; G580-Q584 PolarHBondContact O-N 3.35Å |
| 581 | E | 69.6 | Low | 67.2 | Low | 86 Ų | 86 | 107 Ų | 107 | 40% | 0.402 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 170.1 | -76.3 | 169.4 | -171.4 | 0 | 0 | 111.3 | K577 K578 S585 | K577-E581 WeakPolarHBondContact O-CB 3.49Å; K577-E581 VanDerWaalsContact O-CG 3.3Å; K577-E581 WeakPolarHBondContact O-CG 3.27Å; K577-E581 PolarHBondContact O-N 2.83Å; K578-E581 IonicContact NZ-OE2 3.97Å; K578-E581 PolarHBondContact NZ-OE2 3.01Å; K578-E581 PolarHBondContact O-N 3.23Å; E581-S585 WeakPolarHBondContact O-CB 3.27Å; E581-S585 PolarHBondContact O-N 3.33Å; E581-S585 PolarHBondContact O-OG 3.01Å |
| 582 | I | 69.9 | Low | 68.1 | Low | 91 Ų | 91 | 102.3 Ų | 102.3 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 176.7 | -72.9 | 159.3 | 0 | 0 | 0 | 110.4 | K578 V579 G580 S585 L586 | K578-I582 HydrophobicContact CB-CD1 4.42Å; K578-I582 HydrophobicContact CG-CD1 4.29Å; K578-I582 VanDerWaalsContact O-CB 3.29Å; K578-I582 WeakPolarHBondContact O-CB 3.47Å; K578-I582 VanDerWaalsContact O-CD1 3.27Å; K578-I582 WeakPolarHBondContact O-CD1 3.45Å; K578-I582 WeakPolarHBondContact O-CG1 3.29Å; K578-I582 PolarHBondContact O-N 3.49Å; V579-I582 CarbonylContact O-C 3.5Å; V579-I582 WeakPolarHBondContact O-CB 3.35Å; V579-I582 PolarHBondContact O-N 3.47Å; V579-I582 VanDerWaalsContact O-N 3.15Å; G580-I582 VanDerWaalsContact C-N 3.31Å; I582-S585 CarbonylContact O-C 3.6Å; I582-S585 WeakPolarHBondContact O-CA 3.45Å; I582-S585 WeakPolarHBondContact O-CB 3.44Å; I582-S585 PolarHBondContact O-N 2.93Å; I582-S585 VanDerWaalsContact O-N 3.14Å; I582-L586 WeakPolarHBondContact O-CB 3.41Å; I582-L586 PolarHBondContact O-N 3.2Å |
| 583 | E | 67.2 | Low | 69.1 | Low | 132 Ų | 132 | 102.4 Ų | 102.4 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 178 | -76.2 | 178.6 | 162.8 | 0 | 0 | 112.2 | V579 G580 S585 L586 Q587 | V579-E583 PolarHBondContact O-N 3.06Å; G580-E583 PolarHBondContact O-N 2.82Å; E583-S585 VanDerWaalsContact C-N 3.32Å; E583-L586 WeakPolarHBondContact O-CB 3.49Å; E583-L586 PolarHBondContact O-N 3.32Å; E583-L586 VanDerWaalsContact O-N 3.14Å; E583-Q587 PolarHBondContact O-N 2.86Å |
| 584 | Q | 69.9 | Low | 70.1 | Confident | 149 Ų | 149 | 101.9 Ų | 101.9 | 70% | 0.696 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.4 | -36.3 | 170.4 | -81.5 | -175.8 | 6.3 | 0 | 0 | 112.2 | G580 L586 Q587 P588 | G580-Q584 PolarHBondContact O-N 3.35Å; Q584-L586 PolarHBondContact O-N 2.91Å; Q584-Q587 PolarHBondContact O-N 3.12Å; Q584-P588 VanDerWaalsContact O-CD 3.28Å; Q584-P588 WeakPolarHBondContact O-CD 3.36Å |
| 585 | S | 69.7 | Low | 71 | Confident | 78 Ų | 78 | 102.7 Ų | 102.7 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72 | -15 | 173.6 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | E581 I582 E583 P588 | E581-S585 WeakPolarHBondContact O-CB 3.27Å; E581-S585 PolarHBondContact O-N 3.33Å; E581-S585 PolarHBondContact O-OG 3.01Å; I582-S585 CarbonylContact O-C 3.6Å; I582-S585 WeakPolarHBondContact O-CA 3.45Å; I582-S585 WeakPolarHBondContact O-CB 3.44Å; I582-S585 PolarHBondContact O-N 2.93Å; I582-S585 VanDerWaalsContact O-N 3.14Å; E583-S585 VanDerWaalsContact C-N 3.32Å; S585-P588 WeakPolarHBondContact O-CD 3.39Å; S585-P588 WeakPolarHBondContact O-CG 3.38Å |
| 586 | L | 70.3 | Confident | 72 | Confident | 93 Ų | 93 | 103.2 Ų | 103.2 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -88.2 | -25.3 | 176.5 | -135.5 | 80.5 | 0 | 0 | 0 | 112.5 | I582 E583 Q584 V589 L590 | I582-L586 WeakPolarHBondContact O-CB 3.41Å; I582-L586 PolarHBondContact O-N 3.2Å; E583-L586 WeakPolarHBondContact O-CB 3.49Å; E583-L586 PolarHBondContact O-N 3.32Å; E583-L586 VanDerWaalsContact O-N 3.14Å; Q584-L586 PolarHBondContact O-N 2.91Å; L586-V589 HydrophobicContact CD1-CG2 4.48Å; L586-V589 HydrophobicContact CG-CB 4.46Å; L586-V589 WeakPolarHBondContact O-CA 3.31Å; L586-V589 VanDerWaalsContact O-CB 3.24Å; L586-V589 WeakPolarHBondContact O-CB 3.46Å; L586-V589 PolarHBondContact O-N 3.46Å; L586-L590 PolarHBondContact O-N 3.19Å; L586-L590 VanDerWaalsContact O-N 3.13Å |
| 587 | Q | 69.9 | Low | 73 | Confident | 126 Ų | 126 | 102.1 Ų | 102.1 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -51.7 | -42.9 | 172.6 | -84.9 | -167.3 | -10.6 | 0 | 0 | 114.6 | E583 Q584 V589 L590 R591 | E583-Q587 PolarHBondContact O-N 2.86Å; Q584-Q587 PolarHBondContact O-N 3.12Å; Q587-V589 PolarHBondContact O-N 3.02Å; Q587-L590 PolarHBondContact O-N 2.85Å; Q587-R591 PolarHBondContact O-N 3.05Å |
| 588 | P | 67.7 | Low | 73.9 | Confident | 67 Ų | 67 | 102.1 Ų | 102.1 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.9 | -24.2 | 173.1 | 25.1 | -34.1 | 0 | 0 | 0 | 112.9 | Q584 S585 R591 N592 | Q584-P588 VanDerWaalsContact O-CD 3.28Å; Q584-P588 WeakPolarHBondContact O-CD 3.36Å; S585-P588 WeakPolarHBondContact O-CD 3.39Å; S585-P588 WeakPolarHBondContact O-CG 3.38Å; P588-R591 PolarHBondContact O-N 3.45Å; P588-N592 WeakPolarHBondContact O-CB 3.42Å; P588-N592 VanDerWaalsContact O-CG 3.27Å; P588-N592 PolarHBondContact O-N 3.17Å |
| 589 | V | 71.6 | Confident | 74.7 | Confident | 72 Ų | 72 | 101.7 Ų | 101.7 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.7 | -40.2 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | L586 Q587 N592 E593 | L586-V589 HydrophobicContact CD1-CG2 4.48Å; L586-V589 HydrophobicContact CG-CB 4.46Å; L586-V589 WeakPolarHBondContact O-CA 3.31Å; L586-V589 VanDerWaalsContact O-CB 3.24Å; L586-V589 WeakPolarHBondContact O-CB 3.46Å; L586-V589 PolarHBondContact O-N 3.46Å; Q587-V589 PolarHBondContact O-N 3.02Å; V589-N592 WeakPolarHBondContact O-CA 3.41Å; V589-N592 WeakPolarHBondContact O-CB 3.48Å; V589-N592 PolarHBondContact O-N 2.98Å; V589-N592 VanDerWaalsContact O-N 3.16Å; V589-E593 PolarHBondContact O-N 3.49Å |
| 590 | L | 67.7 | Low | 75.7 | Confident | 104 Ų | 104 | 102.4 Ų | 102.4 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 173.8 | -71.8 | 169 | 0 | 0 | 0 | 111.9 | L586 Q587 N592 E593 D594 | L586-L590 PolarHBondContact O-N 3.19Å; L586-L590 VanDerWaalsContact O-N 3.13Å; Q587-L590 PolarHBondContact O-N 2.85Å; L590-N592 PolarHBondContact O-N 3.42Å; L590-E593 PolarHBondContact O-N 3.02Å; L590-E593 VanDerWaalsContact O-N 3.14Å; L590-D594 PolarHBondContact O-N 3.02Å |
| 591 | R | 70.2 | Confident | 76.7 | Confident | 184 Ų | 184 | 105.5 Ų | 105.5 | 69% | 0.694 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.4 | -35.9 | 171.4 | -71.6 | -171.5 | -173.6 | -178 | 3.1 | 112 | Q587 P588 E593 D594 E595 | Q587-R591 PolarHBondContact O-N 3.05Å; P588-R591 PolarHBondContact O-N 3.45Å; R591-E593 VanDerWaalsContact C-N 3.35Å; R591-D594 PolarHBondContact O-N 2.8Å; R591-E595 WeakPolarHBondContact O-CB 3.48Å; R591-E595 PolarHBondContact O-N 3.17Å |
| 592 | N | 77.8 | Confident | 77.8 | Confident | 89 Ų | 89 | 104.9 Ų | 104.9 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -34.9 | 174.2 | -79 | -11 | 0 | 0 | 0 | 112.3 | P588 V589 L590 E595 I596 | P588-N592 WeakPolarHBondContact O-CB 3.42Å; P588-N592 VanDerWaalsContact O-CG 3.27Å; P588-N592 PolarHBondContact O-N 3.17Å; V589-N592 WeakPolarHBondContact O-CA 3.41Å; V589-N592 WeakPolarHBondContact O-CB 3.48Å; V589-N592 PolarHBondContact O-N 2.98Å; V589-N592 VanDerWaalsContact O-N 3.16Å; L590-N592 PolarHBondContact O-N 3.42Å; N592-E595 PolarHBondContact O-N 3.38Å; N592-I596 VanDerWaalsContact O-CB 3.27Å; N592-I596 WeakPolarHBondContact O-CB 3.46Å; N592-I596 VanDerWaalsContact O-CD1 3.32Å; N592-I596 WeakPolarHBondContact O-CD1 3.45Å; N592-I596 WeakPolarHBondContact O-CG1 3.4Å; N592-I596 PolarHBondContact O-N 3.19Å |
| 593 | E | 80 | Confident | 78.8 | Confident | 117 Ų | 117 | 103.5 Ų | 103.5 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 175.2 | -76.1 | -174.1 | 156.9 | 0 | 0 | 111.9 | V589 L590 R591 E595 I596 T597 | V589-E593 PolarHBondContact O-N 3.49Å; L590-E593 PolarHBondContact O-N 3.02Å; L590-E593 VanDerWaalsContact O-N 3.14Å; R591-E593 VanDerWaalsContact C-N 3.35Å; E593-E595 VanDerWaalsContact C-N 3.34Å; E593-E595 PolarHBondContact O-N 3Å; E593-I596 PolarHBondContact O-N 3.42Å; E593-T597 WeakPolarHBondContact O-CG2 3.44Å; E593-T597 PolarHBondContact O-N 3.36Å; E593-T597 PolarHBondContact O-OG1 2.97Å |
| 594 | D | 81.2 | Confident | 80 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -40.5 | 174.2 | -71.6 | -27.4 | 0 | 0 | 0 | 111.7 | L590 R591 T597 R598 | L590-D594 PolarHBondContact O-N 3.02Å; R591-D594 PolarHBondContact O-N 2.8Å; D594-T597 WeakPolarHBondContact CA-OG1 3.36Å; D594-T597 PolarHBondContact O-N 3.45Å; D594-T597 PolarHBondContact O-OG1 2.9Å; D594-R598 WeakPolarHBondContact O-CB 3.45Å; D594-R598 PolarHBondContact O-N 3.5Å |
| 595 | E | 82.9 | Confident | 81 | Confident | 106 Ų | 106 | 96.7 Ų | 96.7 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 176.4 | -163.7 | 120.3 | -145.5 | 0 | 0 | 111.6 | R591 N592 E593 R598 L599 | R591-E595 WeakPolarHBondContact O-CB 3.48Å; R591-E595 PolarHBondContact O-N 3.17Å; N592-E595 PolarHBondContact O-N 3.38Å; E593-E595 VanDerWaalsContact C-N 3.34Å; E593-E595 PolarHBondContact O-N 3Å; E595-R598 PolarHBondContact O-N 2.8Å; E595-L599 HydrophobicContact CG-CD1 4.3Å; E595-L599 WeakPolarHBondContact O-CB 3.4Å; E595-L599 VanDerWaalsContact O-CG 3.27Å; E595-L599 WeakPolarHBondContact O-CG 3.4Å; E595-L599 PolarHBondContact O-N 3.31Å |
| 596 | I | 83.9 | Confident | 82.1 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 55% | 0.554 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -44.8 | 174.7 | -72.6 | 162.7 | 0 | 0 | 0 | 110.4 | N592 E593 L599 N600 | N592-I596 VanDerWaalsContact O-CB 3.27Å; N592-I596 WeakPolarHBondContact O-CB 3.46Å; N592-I596 VanDerWaalsContact O-CD1 3.32Å; N592-I596 WeakPolarHBondContact O-CD1 3.45Å; N592-I596 WeakPolarHBondContact O-CG1 3.4Å; N592-I596 PolarHBondContact O-N 3.19Å; E593-I596 PolarHBondContact O-N 3.42Å; I596-L599 PolarHBondContact O-N 2.95Å; I596-N600 WeakPolarHBondContact O-CB 3.18Å; I596-N600 PolarHBondContact O-N 3.38Å |
| 597 | T | 83.9 | Confident | 83.2 | Confident | 76 Ų | 76 | 104 Ų | 104 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 177.8 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | E593 D594 N600 N601 | E593-T597 WeakPolarHBondContact O-CG2 3.44Å; E593-T597 PolarHBondContact O-N 3.36Å; E593-T597 PolarHBondContact O-OG1 2.97Å; D594-T597 WeakPolarHBondContact CA-OG1 3.36Å; D594-T597 PolarHBondContact O-N 3.45Å; D594-T597 PolarHBondContact O-OG1 2.9Å; T597-N600 PolarHBondContact O-N 2.92Å; T597-N601 WeakPolarHBondContact O-CB 3.43Å; T597-N601 VanDerWaalsContact O-CG 3.23Å; T597-N601 PolarHBondContact O-N 2.92Å; T597-N601 PolarHBondContact O-ND2 3.29Å |
| 598 | R | 87.2 | Confident | 84.2 | Confident | 153 Ų | 153 | 103.6 Ų | 103.6 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.8 | -50.4 | 173.8 | -177.2 | -176.4 | 157.6 | -177.8 | -6.7 | 111.7 | D594 E595 N600 N601 E602 | D594-R598 WeakPolarHBondContact O-CB 3.45Å; D594-R598 PolarHBondContact O-N 3.5Å; E595-R598 PolarHBondContact O-N 2.8Å; R598-N600 VanDerWaalsContact C-N 3.27Å; R598-N600 PolarHBondContact O-N 3.3Å; R598-N601 PolarHBondContact O-N 3.36Å; R598-E602 IonicContact CZ-OE1 2.66Å; R598-E602 IonicContact NE-OE1 3.73Å; R598-E602 PolarHBondContact NE-OE1 3.35Å; R598-E602 IonicContact NH2-OE1 3.34Å; R598-E602 PolarHBondContact NH2-OE1 2.84Å; R598-E602 WeakPolarHBondContact O-CG 3.42Å; R598-E602 PolarHBondContact O-N 3.43Å |
| 599 | L | 87.5 | Confident | 85.4 | Confident | 89 Ų | 89 | 105 Ų | 105 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 177.1 | -73.4 | 172 | 0 | 0 | 0 | 111.8 | E595 I596 E602 C603 | E595-L599 HydrophobicContact CG-CD1 4.3Å; E595-L599 WeakPolarHBondContact O-CB 3.4Å; E595-L599 VanDerWaalsContact O-CG 3.27Å; E595-L599 WeakPolarHBondContact O-CG 3.4Å; E595-L599 PolarHBondContact O-N 3.31Å; I596-L599 PolarHBondContact O-N 2.95Å; L599-E602 PolarHBondContact O-N 3.32Å; L599-C603 WeakPolarHBondContact O-CB 3.33Å; L599-C603 PolarHBondContact O-N 3.27Å; L599-C603 PolarHBondContact O-SG 2.95Å |
| 600 | N | 91.4 | Very high | 86.3 | Confident | 83 Ų | 83 | 108.5 Ų | 108.5 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 175.7 | -169.8 | 50.3 | 0 | 0 | 0 | 111.9 | I596 T597 R598 C603 N604 | I596-N600 WeakPolarHBondContact O-CB 3.18Å; I596-N600 PolarHBondContact O-N 3.38Å; T597-N600 PolarHBondContact O-N 2.92Å; R598-N600 VanDerWaalsContact C-N 3.27Å; R598-N600 PolarHBondContact O-N 3.3Å; N600-C603 PolarHBondContact O-N 2.95Å; N600-N604 WeakPolarHBondContact O-CB 3.36Å; N600-N604 PolarHBondContact O-N 2.85Å; N600-N604 PolarHBondContact O-ND2 3.21Å |
| 601 | N | 91.5 | Very high | 87.5 | Confident | 98 Ų | 98 | 105.2 Ų | 105.2 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 173.3 | -70.7 | -20.5 | 0 | 0 | 0 | 111.4 | T597 R598 C603 N604 V605 | T597-N601 WeakPolarHBondContact O-CB 3.43Å; T597-N601 VanDerWaalsContact O-CG 3.23Å; T597-N601 PolarHBondContact O-N 2.92Å; T597-N601 PolarHBondContact O-ND2 3.29Å; R598-N601 PolarHBondContact O-N 3.36Å; N601-C603 PolarHBondContact O-N 3.05Å; N601-N604 WeakPolarHBondContact O-CB 3.44Å; N601-N604 PolarHBondContact O-N 3.13Å; N601-V605 WeakPolarHBondContact O-CG2 3.47Å; N601-V605 PolarHBondContact O-N 3.01Å |
| 602 | E | 92.8 | Very high | 88.5 | Confident | 72 Ų | 72 | 101.5 Ų | 101.5 | 34% | 0.336 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 172.7 | -72.6 | 177.8 | -164.3 | 0 | 0 | 110.3 | R598 L599 N604 V605 W606 | R598-E602 IonicContact CZ-OE1 2.66Å; R598-E602 IonicContact NE-OE1 3.73Å; R598-E602 PolarHBondContact NE-OE1 3.35Å; R598-E602 IonicContact NH2-OE1 3.34Å; R598-E602 PolarHBondContact NH2-OE1 2.84Å; R598-E602 WeakPolarHBondContact O-CG 3.42Å; R598-E602 PolarHBondContact O-N 3.43Å; L599-E602 PolarHBondContact O-N 3.32Å; E602-N604 VanDerWaalsContact C-N 3.3Å; E602-N604 PolarHBondContact O-N 2.73Å; E602-V605 PolarHBondContact O-N 3.11Å; E602-V605 VanDerWaalsContact O-N 3.16Å; E602-W606 PolarHBondContact O-N 3.05Å |
| 603 | C | 89.9 | Confident | 89.1 | Confident | 62 Ų | 62 | 101 Ų | 101 | 42% | 0.419 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -36 | 175.2 | -75.6 | 0 | 0 | 0 | 0 | 113.3 | L599 N600 N601 R607 | L599-C603 WeakPolarHBondContact O-CB 3.33Å; L599-C603 PolarHBondContact O-N 3.27Å; L599-C603 PolarHBondContact O-SG 2.95Å; N600-C603 PolarHBondContact O-N 2.95Å; N601-C603 PolarHBondContact O-N 3.05Å; C603-R607 WeakPolarHBondContact O-CB 3.41Å; C603-R607 PolarHBondContact O-N 3.36Å |
| 604 | N | 92.4 | Very high | 89.6 | Confident | 68 Ų | 68 | 100.1 Ų | 100.1 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 174.6 | -71.2 | -28.4 | 0 | 0 | 0 | 111.5 | N600 N601 E602 R607 Q608 | N600-N604 WeakPolarHBondContact O-CB 3.36Å; N600-N604 PolarHBondContact O-N 2.85Å; N600-N604 PolarHBondContact O-ND2 3.21Å; N601-N604 WeakPolarHBondContact O-CB 3.44Å; N601-N604 PolarHBondContact O-N 3.13Å; E602-N604 VanDerWaalsContact C-N 3.3Å; E602-N604 PolarHBondContact O-N 2.73Å; N604-R607 PolarHBondContact O-N 2.93Å; N604-R607 PolarHBondContact OD1-NH2 3.47Å; N604-Q608 WeakPolarHBondContact O-CB 3.33Å; N604-Q608 PolarHBondContact O-N 3.38Å |
| 605 | V | 92.4 | Very high | 90 | Very high | 70 Ų | 70 | 101 Ų | 101 | 42% | 0.424 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 174.6 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | N601 E602 R607 Q608 Q609 | N601-V605 WeakPolarHBondContact O-CG2 3.47Å; N601-V605 PolarHBondContact O-N 3.01Å; E602-V605 PolarHBondContact O-N 3.11Å; E602-V605 VanDerWaalsContact O-N 3.16Å; V605-R607 VanDerWaalsContact C-N 3.34Å; V605-R607 PolarHBondContact O-N 3.26Å; V605-Q608 PolarHBondContact O-N 2.98Å; V605-Q609 HydrophobicContact CG1-CG 4.3Å; V605-Q609 WeakPolarHBondContact O-CB 3.5Å; V605-Q609 WeakPolarHBondContact O-CG 3.24Å; V605-Q609 PolarHBondContact O-N 2.98Å |
| 606 | W | 91.3 | Very high | 90.5 | Very high | 171 Ų | 171 | 104.8 Ų | 104.8 | 65% | 0.648 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.1 | -42.2 | 175.7 | -74.6 | 114.7 | 0 | 0 | 0 | 112.1 | E602 F610 | E602-W606 PolarHBondContact O-N 3.05Å; W606-F610 VanDerWaalsContact O-CB 3.25Å; W606-F610 WeakPolarHBondContact O-CB 3.36Å; W606-F610 PolarHBondContact O-N 3.25Å |
| 607 | R | 93.3 | Very high | 90.7 | Very high | 155 Ų | 155 | 106 Ų | 106 | 59% | 0.585 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 174.1 | -89.9 | -172.4 | -73.1 | -112.3 | -1.2 | 112.3 | C603 N604 V605 F610 G611 | C603-R607 WeakPolarHBondContact O-CB 3.41Å; C603-R607 PolarHBondContact O-N 3.36Å; N604-R607 PolarHBondContact O-N 2.93Å; N604-R607 PolarHBondContact OD1-NH2 3.47Å; V605-R607 VanDerWaalsContact C-N 3.34Å; V605-R607 PolarHBondContact O-N 3.26Å; R607-F610 PolarHBondContact O-N 2.87Å; R607-G611 PolarHBondContact O-N 3.25Å |
| 608 | Q | 91.6 | Very high | 91 | Very high | 117 Ų | 117 | 104.2 Ų | 104.2 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -50 | 177.9 | -178.4 | 179.7 | -4.1 | 0 | 0 | 111 | N604 V605 F610 G611 E612 | N604-Q608 WeakPolarHBondContact O-CB 3.33Å; N604-Q608 PolarHBondContact O-N 3.38Å; V605-Q608 PolarHBondContact O-N 2.98Å; Q608-F610 VanDerWaalsContact C-N 3.3Å; Q608-F610 PolarHBondContact O-N 2.88Å; Q608-G611 WeakPolarHBondContact O-CA 3.4Å; Q608-G611 PolarHBondContact O-N 2.77Å; Q608-G611 VanDerWaalsContact O-N 3.08Å; Q608-E612 HydrophobicContact CG-CG 4.46Å; Q608-E612 WeakPolarHBondContact CG-OE1 3.45Å; Q608-E612 PolarHBondContact NE2-OE1 3.12Å; Q608-E612 WeakPolarHBondContact O-CG 3.33Å; Q608-E612 PolarHBondContact O-N 2.96Å |
| 609 | Q | 93 | Very high | 91.1 | Very high | 95 Ų | 95 | 102 Ų | 102 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 177.6 | -73 | 178.1 | -5 | 0 | 0 | 112 | V605 G611 E612 E613 | V605-Q609 HydrophobicContact CG1-CG 4.3Å; V605-Q609 WeakPolarHBondContact O-CB 3.5Å; V605-Q609 WeakPolarHBondContact O-CG 3.24Å; V605-Q609 PolarHBondContact O-N 2.98Å; Q609-G611 VanDerWaalsContact C-N 3.33Å; Q609-G611 PolarHBondContact O-N 2.74Å; Q609-E612 PolarHBondContact O-N 3.11Å; Q609-E613 VanDerWaalsContact O-CB 3.27Å; Q609-E613 WeakPolarHBondContact O-CB 3.27Å; Q609-E613 PolarHBondContact O-N 2.9Å |
| 610 | F | 90.3 | Very high | 91.2 | Very high | 147 Ų | 147 | 104 Ų | 104 | 65% | 0.645 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.4 | -36.9 | 176.1 | -169.2 | -95.8 | 0 | 0 | 0 | 112.3 | W606 R607 Q608 Q614 | W606-F610 VanDerWaalsContact O-CB 3.25Å; W606-F610 WeakPolarHBondContact O-CB 3.36Å; W606-F610 PolarHBondContact O-N 3.25Å; R607-F610 PolarHBondContact O-N 2.87Å; Q608-F610 VanDerWaalsContact C-N 3.3Å; Q608-F610 PolarHBondContact O-N 2.88Å; F610-Q614 HydrophobicContact CE1-CG 4.23Å; F610-Q614 WeakPolarHBondContact O-CB 3.37Å; F610-Q614 PolarHBondContact O-N 2.84Å |
| 611 | G | 93 | Very high | 91.2 | Very high | 35 Ų | 35 | 107.1 Ų | 107.1 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -47.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R607 Q608 Q609 E613 Q614 E615 | R607-G611 PolarHBondContact O-N 3.25Å; Q608-G611 WeakPolarHBondContact O-CA 3.4Å; Q608-G611 PolarHBondContact O-N 2.77Å; Q608-G611 VanDerWaalsContact O-N 3.08Å; Q609-G611 VanDerWaalsContact C-N 3.33Å; Q609-G611 PolarHBondContact O-N 2.74Å; G611-E613 PolarHBondContact O-N 2.97Å; G611-Q614 WeakPolarHBondContact O-CB 3.45Å; G611-Q614 PolarHBondContact O-N 3.28Å; G611-E615 PolarHBondContact O-N 2.68Å |
| 612 | E | 90.6 | Very high | 91.2 | Very high | 106 Ų | 106 | 108.5 Ų | 108.5 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 177.7 | -70.7 | 173.1 | -172 | 0 | 0 | 112 | Q608 Q609 E615 R616 | Q608-E612 HydrophobicContact CG-CG 4.46Å; Q608-E612 WeakPolarHBondContact CG-OE1 3.45Å; Q608-E612 PolarHBondContact NE2-OE1 3.12Å; Q608-E612 WeakPolarHBondContact O-CG 3.33Å; Q608-E612 PolarHBondContact O-N 2.96Å; Q609-E612 PolarHBondContact O-N 3.11Å; E612-E615 PolarHBondContact O-N 3.33Å; E612-R616 PolarHBondContact O-N 3.48Å |
| 613 | E | 91.7 | Very high | 91 | Very high | 77 Ų | 77 | 108.4 Ų | 108.4 | 36% | 0.36 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 175.5 | -178.3 | 61.8 | -158.4 | 0 | 0 | 111.9 | Q609 G611 R616 R617 | Q609-E613 VanDerWaalsContact O-CB 3.27Å; Q609-E613 WeakPolarHBondContact O-CB 3.27Å; Q609-E613 PolarHBondContact O-N 2.9Å; G611-E613 PolarHBondContact O-N 2.97Å; E613-R616 PolarHBondContact O-N 2.85Å; E613-R617 WeakPolarHBondContact O-CB 3.47Å; E613-R617 WeakPolarHBondContact O-CG 3.33Å; E613-R617 PolarHBondContact O-N 3.2Å; E613-R617 IonicContact OE1-CZ 2.83Å; E613-R617 IonicContact OE1-NE 3.46Å; E613-R617 PolarHBondContact OE1-NE 3.33Å; E613-R617 IonicContact OE1-NH2 3.68Å; E613-R617 PolarHBondContact OE1-NH2 3.49Å |
| 614 | Q | 88.9 | Confident | 90.9 | Very high | 100 Ų | 100 | 108.3 Ų | 108.3 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 171.1 | -91.6 | -87.6 | 14.6 | 0 | 0 | 111.7 | F610 G611 R617 S618 | F610-Q614 HydrophobicContact CE1-CG 4.23Å; F610-Q614 WeakPolarHBondContact O-CB 3.37Å; F610-Q614 PolarHBondContact O-N 2.84Å; G611-Q614 WeakPolarHBondContact O-CB 3.45Å; G611-Q614 PolarHBondContact O-N 3.28Å; Q614-R617 PolarHBondContact O-N 3.42Å; Q614-S618 WeakPolarHBondContact O-CB 3.3Å; Q614-S618 PolarHBondContact O-N 2.96Å |
| 615 | E | 91.3 | Very high | 90.8 | Very high | 134 Ų | 134 | 108.5 Ų | 108.5 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 176.2 | -73.8 | -149.9 | 156.1 | 0 | 0 | 111.8 | G611 E612 R617 S618 L619 | G611-E615 PolarHBondContact O-N 2.68Å; E612-E615 PolarHBondContact O-N 3.33Å; E615-R617 PolarHBondContact O-N 2.85Å; E615-S618 WeakPolarHBondContact O-CB 3.23Å; E615-S618 PolarHBondContact O-N 3.3Å; E615-S618 VanDerWaalsContact O-N 3.11Å; E615-S618 PolarHBondContact O-OG 2.94Å; E615-L619 WeakPolarHBondContact O-CG 3.25Å; E615-L619 PolarHBondContact O-N 3.46Å |
| 616 | R | 91.7 | Very high | 90.7 | Very high | 185 Ų | 185 | 110.1 Ų | 110.1 | 70% | 0.698 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.5 | -50.3 | 174.2 | -100 | -174.1 | 178.1 | 155.4 | 1.7 | 112.4 | E612 E613 S618 L619 E620 | E612-R616 PolarHBondContact O-N 3.48Å; E613-R616 PolarHBondContact O-N 2.85Å; R616-S618 PolarHBondContact O-N 2.94Å; R616-L619 PolarHBondContact O-N 2.95Å; R616-E620 WeakPolarHBondContact O-CB 3.35Å; R616-E620 PolarHBondContact O-N 3.23Å |
| 617 | R | 89.1 | Confident | 90.6 | Very high | 132 Ų | 132 | 107.1 Ų | 107.1 | 50% | 0.498 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -31.1 | 177.3 | -70.9 | 178 | -175.1 | -163.2 | -2.3 | 112.2 | E613 Q614 E615 R621 | E613-R617 WeakPolarHBondContact O-CB 3.47Å; E613-R617 WeakPolarHBondContact O-CG 3.33Å; E613-R617 PolarHBondContact O-N 3.2Å; E613-R617 IonicContact OE1-CZ 2.83Å; E613-R617 IonicContact OE1-NE 3.46Å; E613-R617 PolarHBondContact OE1-NE 3.33Å; E613-R617 IonicContact OE1-NH2 3.68Å; E613-R617 PolarHBondContact OE1-NH2 3.49Å; Q614-R617 PolarHBondContact O-N 3.42Å; E615-R617 PolarHBondContact O-N 2.85Å; R617-R621 WeakPolarHBondContact O-CB 3.35Å; R617-R621 VanDerWaalsContact O-CG 3.28Å; R617-R621 WeakPolarHBondContact O-CG 3.48Å; R617-R621 PolarHBondContact O-N 3.44Å; R617-R621 PolarHBondContact O-NE 3.37Å |
| 618 | S | 90 | Very high | 90.4 | Very high | 40 Ų | 40 | 105.1 Ų | 105.1 | 28% | 0.28 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.7 | -39.4 | 175.6 | 83.4 | 0 | 0 | 0 | 0 | 112.2 | Q614 E615 R616 K622 | Q614-S618 WeakPolarHBondContact O-CB 3.3Å; Q614-S618 PolarHBondContact O-N 2.96Å; E615-S618 WeakPolarHBondContact O-CB 3.23Å; E615-S618 PolarHBondContact O-N 3.3Å; E615-S618 VanDerWaalsContact O-N 3.11Å; E615-S618 PolarHBondContact O-OG 2.94Å; R616-S618 PolarHBondContact O-N 2.94Å; S618-K622 VanDerWaalsContact O-CG 3.32Å; S618-K622 WeakPolarHBondContact O-CG 3.4Å; S618-K622 PolarHBondContact O-N 3.21Å |
| 619 | L | 89.7 | Confident | 90.4 | Very high | 106 Ų | 106 | 105.1 Ų | 105.1 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.5 | -41 | 175.6 | -74.8 | 166.9 | 0 | 0 | 0 | 111.4 | E615 R616 K622 S623 | E615-L619 WeakPolarHBondContact O-CG 3.25Å; E615-L619 PolarHBondContact O-N 3.46Å; R616-L619 PolarHBondContact O-N 2.95Å; L619-K622 PolarHBondContact O-N 3.29Å; L619-S623 WeakPolarHBondContact O-CB 3.5Å; L619-S623 PolarHBondContact O-N 3.44Å |
| 620 | E | 88.6 | Confident | 90.4 | Very high | 131 Ų | 131 | 107 Ų | 107 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -47.2 | 175.1 | -171.6 | 174.1 | -154.4 | 0 | 0 | 110.9 | R616 K622 S623 T624 | R616-E620 WeakPolarHBondContact O-CB 3.35Å; R616-E620 PolarHBondContact O-N 3.23Å; E620-K622 VanDerWaalsContact C-N 3.31Å; E620-K622 PolarHBondContact O-N 2.93Å; E620-S623 WeakPolarHBondContact O-CB 3.32Å; E620-S623 PolarHBondContact O-N 3.22Å; E620-S623 VanDerWaalsContact O-N 3.15Å; E620-T624 WeakPolarHBondContact O-CG2 3.38Å; E620-T624 PolarHBondContact O-N 3.05Å; E620-T624 PolarHBondContact O-OG1 3.09Å |
| 621 | R | 91.3 | Very high | 90.5 | Very high | 148 Ų | 148 | 104 Ų | 104 | 56% | 0.558 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.7 | -39.2 | 173.8 | -78.8 | -178.9 | -116 | 146.8 | -1.3 | 113.1 | R617 T624 S625 | R617-R621 WeakPolarHBondContact O-CB 3.35Å; R617-R621 VanDerWaalsContact O-CG 3.28Å; R617-R621 WeakPolarHBondContact O-CG 3.48Å; R617-R621 PolarHBondContact O-N 3.44Å; R617-R621 PolarHBondContact O-NE 3.37Å; R621-T624 WeakPolarHBondContact CA-OG1 3.32Å; R621-T624 PolarHBondContact O-OG1 3.01Å; R621-T624 VanDerWaalsContact O-OG1 3.06Å; R621-S625 WeakPolarHBondContact O-CB 3.46Å; R621-S625 PolarHBondContact O-N 2.83Å |
| 622 | K | 91.5 | Very high | 90.4 | Very high | 127 Ų | 127 | 104.1 Ų | 104.1 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.1 | -46.8 | 174.3 | -75.5 | 174.2 | -179.7 | 178.8 | 0 | 111 | S618 L619 E620 T624 S625 E626 | S618-K622 VanDerWaalsContact O-CG 3.32Å; S618-K622 WeakPolarHBondContact O-CG 3.4Å; S618-K622 PolarHBondContact O-N 3.21Å; L619-K622 PolarHBondContact O-N 3.29Å; E620-K622 VanDerWaalsContact C-N 3.31Å; E620-K622 PolarHBondContact O-N 2.93Å; K622-T624 PolarHBondContact O-N 3.48Å; K622-S625 PolarHBondContact O-N 2.97Å; K622-E626 WeakPolarHBondContact O-CB 3.35Å; K622-E626 WeakPolarHBondContact O-CG 3.41Å; K622-E626 PolarHBondContact O-N 3.44Å |
| 623 | S | 89.7 | Confident | 90.5 | Very high | 70 Ų | 70 | 102 Ų | 102 | 49% | 0.49 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 178.1 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | L619 E620 E626 Q627 | L619-S623 WeakPolarHBondContact O-CB 3.5Å; L619-S623 PolarHBondContact O-N 3.44Å; E620-S623 WeakPolarHBondContact O-CB 3.32Å; E620-S623 PolarHBondContact O-N 3.22Å; E620-S623 VanDerWaalsContact O-N 3.15Å; S623-E626 PolarHBondContact O-N 3.15Å; S623-Q627 WeakPolarHBondContact O-CB 3.39Å; S623-Q627 PolarHBondContact O-N 2.94Å |
| 624 | T | 88.2 | Confident | 90.6 | Very high | 60 Ų | 60 | 103.3 Ų | 103.3 | 37% | 0.368 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 177 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | E620 R621 K622 Q627 H628 | E620-T624 WeakPolarHBondContact O-CG2 3.38Å; E620-T624 PolarHBondContact O-N 3.05Å; E620-T624 PolarHBondContact O-OG1 3.09Å; R621-T624 WeakPolarHBondContact CA-OG1 3.32Å; R621-T624 PolarHBondContact O-OG1 3.01Å; R621-T624 VanDerWaalsContact O-OG1 3.06Å; K622-T624 PolarHBondContact O-N 3.48Å; T624-Q627 PolarHBondContact O-N 2.85Å; T624-H628 PolarHBondContact O-CD2 2.91Å; T624-H628 VanDerWaalsContact O-CG 3.32Å; T624-H628 PolarHBondContact O-N 3.43Å |
| 625 | S | 89.1 | Confident | 90.8 | Very high | 72 Ų | 72 | 104 Ų | 104 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 112 | R621 K622 Q627 H628 E629 | R621-S625 WeakPolarHBondContact O-CB 3.46Å; R621-S625 PolarHBondContact O-N 2.83Å; K622-S625 PolarHBondContact O-N 2.97Å; S625-Q627 VanDerWaalsContact C-N 3.3Å; S625-Q627 PolarHBondContact O-N 3.36Å; S625-H628 PolarHBondContact O-N 3.31Å; S625-E629 WeakPolarHBondContact O-CB 3.32Å; S625-E629 PolarHBondContact O-N 3.42Å |
| 626 | E | 91.2 | Very high | 91.1 | Very high | 105 Ų | 105 | 105.2 Ų | 105.2 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 175.6 | -74.7 | 174.8 | -161.5 | 0 | 0 | 111.8 | K622 S623 E629 K630 | K622-E626 WeakPolarHBondContact O-CB 3.35Å; K622-E626 WeakPolarHBondContact O-CG 3.41Å; K622-E626 PolarHBondContact O-N 3.44Å; S623-E626 PolarHBondContact O-N 3.15Å; E626-E629 PolarHBondContact O-N 3.41Å; E626-K630 WeakPolarHBondContact O-CG 3.43Å; E626-K630 PolarHBondContact O-N 3.1Å |
| 627 | Q | 89 | Confident | 91.1 | Very high | 107 Ų | 107 | 101.8 Ų | 101.8 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -47.8 | 175 | -176.8 | 170.9 | -21.2 | 0 | 0 | 111.6 | S623 T624 S625 E629 K630 E631 | S623-Q627 WeakPolarHBondContact O-CB 3.39Å; S623-Q627 PolarHBondContact O-N 2.94Å; T624-Q627 PolarHBondContact O-N 2.85Å; S625-Q627 VanDerWaalsContact C-N 3.3Å; S625-Q627 PolarHBondContact O-N 3.36Å; Q627-E629 VanDerWaalsContact C-N 3.26Å; Q627-E629 PolarHBondContact O-N 3.4Å; Q627-K630 PolarHBondContact O-N 2.94Å; Q627-E631 WeakPolarHBondContact CG-OE1 3.24Å; Q627-E631 PolarHBondContact NE2-OE1 2.99Å; Q627-E631 VanDerWaalsContact NE2-OE1 3.12Å; Q627-E631 WeakPolarHBondContact O-CG 3.28Å; Q627-E631 PolarHBondContact O-N 2.91Å |
| 628 | H | 88.5 | Confident | 91.4 | Very high | 114 Ų | 114 | 97.8 Ų | 97.8 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -32.8 | 175.4 | -65.6 | -43.3 | 0 | 0 | 0 | 112.6 | T624 S625 E631 A632 | T624-H628 PolarHBondContact O-CD2 2.91Å; T624-H628 VanDerWaalsContact O-CG 3.32Å; T624-H628 PolarHBondContact O-N 3.43Å; S625-H628 PolarHBondContact O-N 3.31Å; H628-E631 IonicContact ND1-OE2 3.36Å; H628-E631 PolarHBondContact ND1-OE2 3.44Å; H628-A632 WeakPolarHBondContact O-CB 3.36Å; H628-A632 PolarHBondContact O-N 3.32Å |
| 629 | E | 92.5 | Very high | 91.4 | Very high | 116 Ų | 116 | 100.3 Ų | 100.3 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 174.3 | -171.3 | 177.2 | 179.2 | 0 | 0 | 111.9 | S625 E626 Q627 A632 N633 | S625-E629 WeakPolarHBondContact O-CB 3.32Å; S625-E629 PolarHBondContact O-N 3.42Å; E626-E629 PolarHBondContact O-N 3.41Å; Q627-E629 VanDerWaalsContact C-N 3.26Å; Q627-E629 PolarHBondContact O-N 3.4Å; E629-A632 PolarHBondContact O-N 2.91Å; E629-N633 WeakPolarHBondContact O-CB 3.26Å; E629-N633 PolarHBondContact O-N 3.35Å; E629-N633 PolarHBondContact O-ND2 3.48Å; E629-N633 VanDerWaalsContact O-ND2 3.1Å |
| 630 | K | 92.3 | Very high | 91.6 | Very high | 134 Ų | 134 | 98.9 Ų | 98.9 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.6 | -49.8 | 173 | -73.2 | 170.6 | -174.5 | 171.2 | 0 | 111.6 | E626 Q627 A632 N633 D634 | E626-K630 WeakPolarHBondContact O-CG 3.43Å; E626-K630 PolarHBondContact O-N 3.1Å; Q627-K630 PolarHBondContact O-N 2.94Å; K630-A632 VanDerWaalsContact C-N 3.28Å; K630-A632 PolarHBondContact O-N 2.84Å; K630-N633 WeakPolarHBondContact O-CB 3.44Å; K630-N633 PolarHBondContact O-N 2.84Å; K630-D634 PolarHBondContact O-N 3.03Å |
| 631 | E | 92.3 | Very high | 91.8 | Very high | 84 Ų | 84 | 96.3 Ų | 96.3 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.7 | -42 | 176.2 | -71.5 | 168.4 | -174 | 0 | 0 | 111.2 | Q627 H628 N633 D634 L635 | Q627-E631 WeakPolarHBondContact CG-OE1 3.24Å; Q627-E631 PolarHBondContact NE2-OE1 2.99Å; Q627-E631 VanDerWaalsContact NE2-OE1 3.12Å; Q627-E631 WeakPolarHBondContact O-CG 3.28Å; Q627-E631 PolarHBondContact O-N 2.91Å; H628-E631 IonicContact ND1-OE2 3.36Å; H628-E631 PolarHBondContact ND1-OE2 3.44Å; E631-N633 PolarHBondContact O-N 2.88Å; E631-D634 PolarHBondContact O-N 3.46Å; E631-L635 WeakPolarHBondContact O-CB 3.44Å; E631-L635 VanDerWaalsContact O-CG 3.29Å; E631-L635 WeakPolarHBondContact O-CG 3.41Å; E631-L635 PolarHBondContact O-N 2.79Å |
| 632 | A | 90.8 | Very high | 92 | Very high | 38 Ų | 38 | 93.9 Ų | 93.9 | 31% | 0.314 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H628 E629 K630 R636 | H628-A632 WeakPolarHBondContact O-CB 3.36Å; H628-A632 PolarHBondContact O-N 3.32Å; E629-A632 PolarHBondContact O-N 2.91Å; K630-A632 VanDerWaalsContact C-N 3.28Å; K630-A632 PolarHBondContact O-N 2.84Å; A632-R636 WeakPolarHBondContact O-CB 3.44Å; A632-R636 VanDerWaalsContact O-CG 3.24Å; A632-R636 WeakPolarHBondContact O-CG 3.24Å; A632-R636 PolarHBondContact O-N 3.27Å |
| 633 | N | 93 | Very high | 92.2 | Very high | 62 Ų | 62 | 93.8 Ų | 93.8 | 33% | 0.332 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.1 | -40.4 | 176 | -71.5 | -30.3 | 0 | 0 | 0 | 111.9 | E629 K630 E631 R636 L637 | E629-N633 WeakPolarHBondContact O-CB 3.26Å; E629-N633 PolarHBondContact O-N 3.35Å; E629-N633 PolarHBondContact O-ND2 3.48Å; E629-N633 VanDerWaalsContact O-ND2 3.1Å; K630-N633 WeakPolarHBondContact O-CB 3.44Å; K630-N633 PolarHBondContact O-N 2.84Å; E631-N633 PolarHBondContact O-N 2.88Å; N633-R636 WeakPolarHBondContact O-CB 3.38Å; N633-R636 PolarHBondContact O-N 3.33Å; N633-R636 PolarHBondContact OD1-NH1 3Å; N633-L637 WeakPolarHBondContact O-CG 3.35Å; N633-L637 PolarHBondContact O-N 3.28Å |
| 634 | D | 93 | Very high | 92.4 | Very high | 105 Ų | 105 | 97.4 Ų | 97.4 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 175.3 | -68.7 | -21 | 0 | 0 | 0 | 111.2 | K630 E631 R636 L637 A638 | K630-D634 PolarHBondContact O-N 3.03Å; E631-D634 PolarHBondContact O-N 3.46Å; D634-R636 PolarHBondContact O-N 3.26Å; D634-L637 PolarHBondContact O-N 3.49Å; D634-A638 PolarHBondContact O-N 3.33Å |
| 635 | L | 95 | Very high | 92.6 | Very high | 114 Ų | 114 | 98.5 Ų | 98.5 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -39.6 | 173.8 | -72 | 173.5 | 0 | 0 | 0 | 112.3 | E631 L637 A638 I639 | E631-L635 WeakPolarHBondContact O-CB 3.44Å; E631-L635 VanDerWaalsContact O-CG 3.29Å; E631-L635 WeakPolarHBondContact O-CG 3.41Å; E631-L635 PolarHBondContact O-N 2.79Å; L635-L637 VanDerWaalsContact C-N 3.34Å; L635-L637 PolarHBondContact O-N 3.29Å; L635-A638 PolarHBondContact O-N 2.9Å; L635-I639 WeakPolarHBondContact O-CB 3.44Å; L635-I639 VanDerWaalsContact O-CG1 3.24Å; L635-I639 WeakPolarHBondContact O-CG1 3.5Å; L635-I639 PolarHBondContact O-N 3.46Å |
| 636 | R | 95.6 | Very high | 92.8 | Very high | 160 Ų | 160 | 99.9 Ų | 99.9 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 173.9 | -77 | 169.6 | 178.8 | 159.3 | -1 | 111.9 | A632 N633 D634 I639 T640 | A632-R636 WeakPolarHBondContact O-CB 3.44Å; A632-R636 VanDerWaalsContact O-CG 3.24Å; A632-R636 WeakPolarHBondContact O-CG 3.24Å; A632-R636 PolarHBondContact O-N 3.27Å; N633-R636 WeakPolarHBondContact O-CB 3.38Å; N633-R636 PolarHBondContact O-N 3.33Å; N633-R636 PolarHBondContact OD1-NH1 3Å; D634-R636 PolarHBondContact O-N 3.26Å; R636-I639 PolarHBondContact O-N 3.49Å; R636-T640 WeakPolarHBondContact O-CG2 3.39Å; R636-T640 PolarHBondContact O-N 2.93Å; R636-T640 PolarHBondContact O-OG1 3.33Å |
| 637 | L | 92.7 | Very high | 92.9 | Very high | 113 Ų | 113 | 96.4 Ų | 96.4 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.3 | -40.2 | 175.2 | -70.5 | 172.4 | 0 | 0 | 0 | 112 | N633 D634 L635 T640 S641 | N633-L637 WeakPolarHBondContact O-CG 3.35Å; N633-L637 PolarHBondContact O-N 3.28Å; D634-L637 PolarHBondContact O-N 3.49Å; L635-L637 VanDerWaalsContact C-N 3.34Å; L635-L637 PolarHBondContact O-N 3.29Å; L637-T640 PolarHBondContact O-N 2.91Å; L637-T640 PolarHBondContact O-OG1 2.88Å; L637-S641 WeakPolarHBondContact O-CB 3.38Å; L637-S641 PolarHBondContact O-N 3.19Å |
| 638 | A | 94.9 | Very high | 93.2 | Very high | 48 Ų | 48 | 96 Ų | 96 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D634 L635 S641 L642 | D634-A638 PolarHBondContact O-N 3.33Å; L635-A638 PolarHBondContact O-N 2.9Å; A638-S641 PolarHBondContact O-N 3.06Å; A638-L642 WeakPolarHBondContact O-CG 3.39Å; A638-L642 PolarHBondContact O-N 2.67Å |
| 639 | I | 91.5 | Very high | 93.4 | Very high | 92 Ų | 92 | 98 Ų | 98 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.1 | -70.3 | 165.5 | 0 | 0 | 0 | 111 | L635 R636 S641 L642 Q643 | L635-I639 WeakPolarHBondContact O-CB 3.44Å; L635-I639 VanDerWaalsContact O-CG1 3.24Å; L635-I639 WeakPolarHBondContact O-CG1 3.5Å; L635-I639 PolarHBondContact O-N 3.46Å; R636-I639 PolarHBondContact O-N 3.49Å; I639-S641 VanDerWaalsContact C-N 3.35Å; I639-S641 PolarHBondContact O-N 3.49Å; I639-L642 PolarHBondContact O-N 3.22Å; I639-Q643 HydrophobicContact CG2-CG 4.26Å; I639-Q643 WeakPolarHBondContact O-CB 3.41Å; I639-Q643 VanDerWaalsContact O-CG 3.28Å; I639-Q643 WeakPolarHBondContact O-CG 3.31Å; I639-Q643 PolarHBondContact O-N 3.37Å |
| 640 | T | 93.6 | Very high | 93.5 | Very high | 77 Ų | 77 | 97.8 Ų | 97.8 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 178.8 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | R636 L637 K644 | R636-T640 WeakPolarHBondContact O-CG2 3.39Å; R636-T640 PolarHBondContact O-N 2.93Å; R636-T640 PolarHBondContact O-OG1 3.33Å; L637-T640 PolarHBondContact O-N 2.91Å; L637-T640 PolarHBondContact O-OG1 2.88Å; T640-K644 PolarHBondContact O-N 2.92Å |
| 641 | S | 93 | Very high | 93.6 | Very high | 76 Ų | 76 | 95.8 Ų | 95.8 | 53% | 0.531 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 172.5 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | L637 A638 I639 K644 E645 | L637-S641 WeakPolarHBondContact O-CB 3.38Å; L637-S641 PolarHBondContact O-N 3.19Å; A638-S641 PolarHBondContact O-N 3.06Å; I639-S641 VanDerWaalsContact C-N 3.35Å; I639-S641 PolarHBondContact O-N 3.49Å; S641-K644 PolarHBondContact O-N 3.45Å; S641-E645 PolarHBondContact O-N 3.39Å |
| 642 | L | 94.6 | Very high | 93.8 | Very high | 97 Ų | 97 | 97.9 Ų | 97.9 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -39.5 | 178.5 | -72.9 | 172.8 | 0 | 0 | 0 | 112.1 | A638 I639 K644 E645 I646 | A638-L642 WeakPolarHBondContact O-CG 3.39Å; A638-L642 PolarHBondContact O-N 2.67Å; I639-L642 PolarHBondContact O-N 3.22Å; L642-K644 VanDerWaalsContact C-N 3.31Å; L642-K644 PolarHBondContact O-N 2.92Å; L642-E645 PolarHBondContact O-N 3.16Å; L642-I646 WeakPolarHBondContact O-CB 3.5Å; L642-I646 VanDerWaalsContact O-CG1 3.24Å; L642-I646 WeakPolarHBondContact O-CG1 3.48Å; L642-I646 PolarHBondContact O-N 2.91Å |
| 643 | Q | 94.8 | Very high | 93.9 | Very high | 126 Ų | 126 | 101 Ų | 101 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -40.2 | 174.5 | -77.5 | 175.7 | -19.2 | 0 | 0 | 112 | I639 I646 G647 | I639-Q643 HydrophobicContact CG2-CG 4.26Å; I639-Q643 WeakPolarHBondContact O-CB 3.41Å; I639-Q643 VanDerWaalsContact O-CG 3.28Å; I639-Q643 WeakPolarHBondContact O-CG 3.31Å; I639-Q643 PolarHBondContact O-N 3.37Å; Q643-I646 PolarHBondContact O-N 3.17Å; Q643-G647 PolarHBondContact O-N 3.09Å |
| 644 | K | 94.5 | Very high | 94 | Very high | 146 Ų | 146 | 103.2 Ų | 103.2 | 64% | 0.635 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.8 | -46.7 | 173.7 | -174.8 | -173.4 | 172.5 | -169.4 | 0 | 111.6 | T640 S641 L642 I646 G647 D648 | T640-K644 PolarHBondContact O-N 2.92Å; S641-K644 PolarHBondContact O-N 3.45Å; L642-K644 VanDerWaalsContact C-N 3.31Å; L642-K644 PolarHBondContact O-N 2.92Å; K644-I646 VanDerWaalsContact C-N 3.32Å; K644-I646 PolarHBondContact O-N 2.9Å; K644-G647 PolarHBondContact O-N 2.87Å; K644-G647 VanDerWaalsContact O-N 3.15Å; K644-D648 PolarHBondContact O-N 3.47Å |
| 645 | E | 93 | Very high | 94 | Very high | 82 Ų | 82 | 101.3 Ų | 101.3 | 38% | 0.383 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 178.1 | -170.4 | -178.8 | 171 | 0 | 0 | 112.2 | S641 L642 D648 R649 | S641-E645 PolarHBondContact O-N 3.39Å; L642-E645 PolarHBondContact O-N 3.16Å; E645-D648 PolarHBondContact O-N 2.9Å; E645-R649 WeakPolarHBondContact O-CB 3.24Å; E645-R649 VanDerWaalsContact O-CG 3.26Å; E645-R649 WeakPolarHBondContact O-CG 3.47Å; E645-R649 PolarHBondContact O-N 3.34Å; E645-R649 IonicContact OE1-CZ 3.3Å; E645-R649 IonicContact OE1-NE 2.69Å; E645-R649 PolarHBondContact OE1-NE 3.44Å; E645-R649 IonicContact OE1-NH2 3.99Å; E645-R649 PolarHBondContact OE1-NH2 3.29Å |
| 646 | I | 92.5 | Very high | 93.9 | Very high | 101 Ų | 101 | 100.1 Ų | 100.1 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 172.7 | -70.1 | 165.7 | 0 | 0 | 0 | 110.3 | L642 Q643 K644 R649 Q650 | L642-I646 WeakPolarHBondContact O-CB 3.5Å; L642-I646 VanDerWaalsContact O-CG1 3.24Å; L642-I646 WeakPolarHBondContact O-CG1 3.48Å; L642-I646 PolarHBondContact O-N 2.91Å; Q643-I646 PolarHBondContact O-N 3.17Å; K644-I646 VanDerWaalsContact C-N 3.32Å; K644-I646 PolarHBondContact O-N 2.9Å; I646-R649 PolarHBondContact O-N 3.19Å; I646-Q650 WeakPolarHBondContact O-CB 3.42Å; I646-Q650 PolarHBondContact O-N 2.97Å |
| 647 | G | 94.4 | Very high | 93.8 | Very high | 32 Ų | 32 | 95.7 Ų | 95.7 | 33% | 0.33 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q643 K644 R649 Q650 V651 | Q643-G647 PolarHBondContact O-N 3.09Å; K644-G647 PolarHBondContact O-N 2.87Å; K644-G647 VanDerWaalsContact O-N 3.15Å; G647-R649 VanDerWaalsContact C-N 3.34Å; G647-R649 PolarHBondContact O-N 2.88Å; G647-Q650 PolarHBondContact O-N 3.05Å; G647-V651 WeakPolarHBondContact O-CG2 3.44Å; G647-V651 PolarHBondContact O-N 3.16Å |
| 648 | D | 93.8 | Very high | 93.8 | Very high | 100 Ų | 100 | 96.1 Ų | 96.1 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 177.5 | -68.5 | -23.9 | 0 | 0 | 0 | 111.6 | K644 E645 F652 | K644-D648 PolarHBondContact O-N 3.47Å; E645-D648 PolarHBondContact O-N 2.9Å; D648-F652 PolarHBondContact O-N 2.66Å |
| 649 | R | 93.4 | Very high | 93.8 | Very high | 156 Ų | 156 | 98.5 Ų | 98.5 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.6 | -36.8 | 174.8 | -73 | 176.2 | -175 | -158.2 | 4.5 | 112.2 | E645 I646 G647 F652 I653 | E645-R649 WeakPolarHBondContact O-CB 3.24Å; E645-R649 VanDerWaalsContact O-CG 3.26Å; E645-R649 WeakPolarHBondContact O-CG 3.47Å; E645-R649 PolarHBondContact O-N 3.34Å; E645-R649 IonicContact OE1-CZ 3.3Å; E645-R649 IonicContact OE1-NE 2.69Å; E645-R649 PolarHBondContact OE1-NE 3.44Å; E645-R649 IonicContact OE1-NH2 3.99Å; E645-R649 PolarHBondContact OE1-NH2 3.29Å; I646-R649 PolarHBondContact O-N 3.19Å; G647-R649 VanDerWaalsContact C-N 3.34Å; G647-R649 PolarHBondContact O-N 2.88Å; R649-F652 PolarHBondContact O-N 2.95Å; R649-I653 WeakPolarHBondContact O-CG1 3.43Å; R649-I653 PolarHBondContact O-N 3.32Å |
| 650 | Q | 94.7 | Very high | 93.8 | Very high | 110 Ų | 110 | 98.5 Ų | 98.5 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68 | -43.9 | 178.6 | -168.4 | 148 | 0.3 | 0 | 0 | 111.5 | I646 G647 F652 I653 E654 | I646-Q650 WeakPolarHBondContact O-CB 3.42Å; I646-Q650 PolarHBondContact O-N 2.97Å; G647-Q650 PolarHBondContact O-N 3.05Å; Q650-F652 VanDerWaalsContact C-N 3.28Å; Q650-F652 PolarHBondContact O-N 3Å; Q650-I653 PolarHBondContact O-N 3.44Å; Q650-I653 VanDerWaalsContact O-N 3.16Å; Q650-E654 WeakPolarHBondContact O-CG 3.49Å; Q650-E654 PolarHBondContact O-N 2.85Å |
| 651 | V | 94.2 | Very high | 93.8 | Very high | 93 Ų | 93 | 98.6 Ų | 98.6 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.6 | -39.5 | 171.8 | 173 | 0 | 0 | 0 | 0 | 111.5 | G647 E654 S655 | G647-V651 WeakPolarHBondContact O-CG2 3.44Å; G647-V651 PolarHBondContact O-N 3.16Å; V651-E654 PolarHBondContact O-N 3.34Å; V651-S655 PolarHBondContact O-N 3.37Å |
| 652 | F | 97 | Very high | 93.8 | Very high | 127 Ų | 127 | 98 Ų | 98 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 175.4 | -179.1 | -98.8 | 0 | 0 | 0 | 112.2 | D648 R649 Q650 S655 Q656 | D648-F652 PolarHBondContact O-N 2.66Å; R649-F652 PolarHBondContact O-N 2.95Å; Q650-F652 VanDerWaalsContact C-N 3.28Å; Q650-F652 PolarHBondContact O-N 3Å; F652-S655 PolarHBondContact O-N 3.01Å; F652-Q656 HydrophobicContact CD1-CG 4.19Å; F652-Q656 HydrophobicContact CE1-CG 3.77Å; F652-Q656 HydrophobicContact CE2-CG 4.4Å; F652-Q656 HydrophobicContact CZ-CG 3.89Å; F652-Q656 WeakPolarHBondContact O-CG 3.38Å; F652-Q656 PolarHBondContact O-N 2.86Å |
| 653 | I | 92.9 | Very high | 93.8 | Very high | 103 Ų | 103 | 96.3 Ų | 96.3 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.1 | -70 | 166.4 | 0 | 0 | 0 | 110.5 | R649 Q650 S655 Q656 T657 | R649-I653 WeakPolarHBondContact O-CG1 3.43Å; R649-I653 PolarHBondContact O-N 3.32Å; Q650-I653 PolarHBondContact O-N 3.44Å; Q650-I653 VanDerWaalsContact O-N 3.16Å; I653-S655 VanDerWaalsContact C-N 3.3Å; I653-S655 PolarHBondContact O-N 3.45Å; I653-Q656 PolarHBondContact O-N 3.5Å; I653-Q656 VanDerWaalsContact O-N 3.09Å; I653-T657 HydrophobicContact CG2-CG2 4.32Å; I653-T657 PolarHBondContact O-N 2.9Å; I653-T657 PolarHBondContact O-OG1 2.74Å |
| 654 | E | 94.7 | Very high | 93.6 | Very high | 109 Ų | 109 | 95 Ų | 95 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 176.4 | -73 | 169.8 | -170.7 | 0 | 0 | 112.2 | Q650 V651 T657 E658 | Q650-E654 WeakPolarHBondContact O-CG 3.49Å; Q650-E654 PolarHBondContact O-N 2.85Å; V651-E654 PolarHBondContact O-N 3.34Å; E654-T657 WeakPolarHBondContact CA-OG1 3.4Å; E654-T657 PolarHBondContact O-N 3.29Å; E654-T657 PolarHBondContact O-OG1 2.98Å; E654-E658 PolarHBondContact O-N 3.46Å |
| 655 | S | 92.3 | Very high | 93.6 | Very high | 66 Ų | 66 | 95.6 Ų | 95.6 | 46% | 0.462 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 174.4 | 178.7 | 0 | 0 | 0 | 0 | 112.6 | V651 F652 I653 K659 | V651-S655 PolarHBondContact O-N 3.37Å; F652-S655 PolarHBondContact O-N 3.01Å; I653-S655 VanDerWaalsContact C-N 3.3Å; I653-S655 PolarHBondContact O-N 3.45Å; S655-K659 PolarHBondContact O-N 3.24Å; S655-K659 VanDerWaalsContact O-N 3.15Å |
| 656 | Q | 94.8 | Very high | 93.6 | Very high | 89 Ų | 89 | 95.9 Ų | 95.9 | 42% | 0.416 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.3 | -38.2 | 177 | -66.3 | -62.7 | -41.3 | 0 | 0 | 112.1 | F652 I653 K659 I660 | F652-Q656 HydrophobicContact CD1-CG 4.19Å; F652-Q656 HydrophobicContact CE1-CG 3.77Å; F652-Q656 HydrophobicContact CE2-CG 4.4Å; F652-Q656 HydrophobicContact CZ-CG 3.89Å; F652-Q656 WeakPolarHBondContact O-CG 3.38Å; F652-Q656 PolarHBondContact O-N 2.86Å; I653-Q656 PolarHBondContact O-N 3.5Å; I653-Q656 VanDerWaalsContact O-N 3.09Å; Q656-K659 WeakPolarHBondContact O-CB 3.32Å; Q656-K659 PolarHBondContact O-N 2.87Å; Q656-I660 WeakPolarHBondContact O-CG1 3.43Å; Q656-I660 PolarHBondContact O-N 3.4Å |
| 657 | T | 91.6 | Very high | 93.5 | Very high | 67 Ų | 67 | 93.9 Ų | 93.9 | 41% | 0.411 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 176.3 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | I653 E654 K659 I660 N661 | I653-T657 HydrophobicContact CG2-CG2 4.32Å; I653-T657 PolarHBondContact O-N 2.9Å; I653-T657 PolarHBondContact O-OG1 2.74Å; E654-T657 WeakPolarHBondContact CA-OG1 3.4Å; E654-T657 PolarHBondContact O-N 3.29Å; E654-T657 PolarHBondContact O-OG1 2.98Å; T657-K659 VanDerWaalsContact C-N 3.32Å; T657-K659 PolarHBondContact O-N 2.76Å; T657-I660 PolarHBondContact O-N 3.31Å; T657-N661 WeakPolarHBondContact O-CB 3.18Å; T657-N661 PolarHBondContact O-N 3.36Å; T657-N661 PolarHBondContact O-ND2 2.84Å |
| 658 | E | 94 | Very high | 93.5 | Very high | 121 Ų | 121 | 94 Ų | 94 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.8 | -42.4 | 171 | -172.3 | 176.9 | -159.5 | 0 | 0 | 111.6 | E654 I660 N661 D662 | E654-E658 PolarHBondContact O-N 3.46Å; E658-I660 VanDerWaalsContact C-N 3.35Å; E658-I660 PolarHBondContact O-N 2.89Å; E658-N661 WeakPolarHBondContact O-CB 3.23Å; E658-N661 PolarHBondContact O-N 2.94Å; E658-D662 PolarHBondContact O-N 3.08Å |
| 659 | K | 95.2 | Very high | 93.3 | Very high | 99 Ų | 99 | 92.7 Ų | 92.7 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 177.3 | -175.7 | 57.6 | 178.7 | 177 | 0 | 112.9 | S655 Q656 T657 D662 L663 | S655-K659 PolarHBondContact O-N 3.24Å; S655-K659 VanDerWaalsContact O-N 3.15Å; Q656-K659 WeakPolarHBondContact O-CB 3.32Å; Q656-K659 PolarHBondContact O-N 2.87Å; T657-K659 VanDerWaalsContact C-N 3.32Å; T657-K659 PolarHBondContact O-N 2.76Å; K659-D662 PolarHBondContact O-N 3.05Å; K659-L663 WeakPolarHBondContact O-CG 3.48Å; K659-L663 PolarHBondContact O-N 2.86Å; K659-L663 VanDerWaalsContact O-N 3.13Å |
| 660 | I | 90.7 | Very high | 93.1 | Very high | 92 Ų | 92 | 88.9 Ų | 88.9 | 47% | 0.472 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 174.4 | -69 | 166 | 0 | 0 | 0 | 109.8 | Q656 T657 E658 D662 L663 D664 | Q656-I660 WeakPolarHBondContact O-CG1 3.43Å; Q656-I660 PolarHBondContact O-N 3.4Å; T657-I660 PolarHBondContact O-N 3.31Å; E658-I660 VanDerWaalsContact C-N 3.35Å; E658-I660 PolarHBondContact O-N 2.89Å; I660-D662 VanDerWaalsContact C-N 3.28Å; I660-D662 PolarHBondContact O-N 2.87Å; I660-L663 CarbonylContact O-C 3.59Å; I660-L663 WeakPolarHBondContact O-CB 3.39Å; I660-L663 PolarHBondContact O-N 2.85Å; I660-D664 PolarHBondContact O-N 2.99Å |
| 661 | N | 93.7 | Very high | 92.9 | Very high | 78 Ų | 78 | 92.3 Ų | 92.3 | 42% | 0.417 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.1 | -38 | 177.3 | -69.3 | -28 | 0 | 0 | 0 | 112.4 | T657 E658 D664 R665 | T657-N661 WeakPolarHBondContact O-CB 3.18Å; T657-N661 PolarHBondContact O-N 3.36Å; T657-N661 PolarHBondContact O-ND2 2.84Å; E658-N661 WeakPolarHBondContact O-CB 3.23Å; E658-N661 PolarHBondContact O-N 2.94Å; N661-D664 PolarHBondContact O-N 3.39Å; N661-R665 WeakPolarHBondContact O-CG 3.43Å; N661-R665 PolarHBondContact O-N 3.48Å |
| 662 | D | 94 | Very high | 92.6 | Very high | 64 Ų | 64 | 91.7 Ų | 91.7 | 34% | 0.342 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 173.9 | -79.9 | -10.3 | 0 | 0 | 0 | 113.1 | E658 K659 I660 D664 R665 Q666 | E658-D662 PolarHBondContact O-N 3.08Å; K659-D662 PolarHBondContact O-N 3.05Å; I660-D662 VanDerWaalsContact C-N 3.28Å; I660-D662 PolarHBondContact O-N 2.87Å; D662-D664 VanDerWaalsContact C-N 3.35Å; D662-R665 PolarHBondContact O-N 3.15Å; D662-R665 IonicContact OD1-NH1 2.81Å; D662-R665 PolarHBondContact OD1-NH1 3.39Å; D662-Q666 WeakPolarHBondContact O-CG 3.24Å; D662-Q666 PolarHBondContact O-N 2.89Å |
| 663 | L | 92.5 | Very high | 92.2 | Very high | 62 Ų | 62 | 90.3 Ų | 90.3 | 33% | 0.325 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 174.2 | -70.7 | 172.8 | 0 | 0 | 0 | 111 | K659 I660 Q666 V667 | K659-L663 WeakPolarHBondContact O-CG 3.48Å; K659-L663 PolarHBondContact O-N 2.86Å; K659-L663 VanDerWaalsContact O-N 3.13Å; I660-L663 CarbonylContact O-C 3.59Å; I660-L663 WeakPolarHBondContact O-CB 3.39Å; I660-L663 PolarHBondContact O-N 2.85Å; L663-Q666 WeakPolarHBondContact O-CB 3.41Å; L663-Q666 PolarHBondContact O-N 3.15Å; L663-V667 VanDerWaalsContact O-CG2 3.31Å; L663-V667 WeakPolarHBondContact O-CG2 3.35Å; L663-V667 PolarHBondContact O-N 2.91Å |
| 664 | D | 92.1 | Very high | 91.4 | Very high | 99 Ų | 99 | 89 Ų | 89 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 175.5 | -79.9 | -28.5 | 0 | 0 | 0 | 112.1 | I660 N661 D662 V667 G668 | I660-D664 PolarHBondContact O-N 2.99Å; N661-D664 PolarHBondContact O-N 3.39Å; D662-D664 VanDerWaalsContact C-N 3.35Å; D664-V667 PolarHBondContact O-N 3.24Å; D664-G668 PolarHBondContact O-N 3.03Å |
| 665 | R | 93.8 | Very high | 90.8 | Very high | 157 Ų | 157 | 86.2 Ų | 86.2 | 59% | 0.592 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.5 | -44.5 | 170.8 | -71.8 | 173.7 | -169.7 | 113.3 | 5.6 | 111.9 | N661 D662 G668 S669 | N661-R665 WeakPolarHBondContact O-CG 3.43Å; N661-R665 PolarHBondContact O-N 3.48Å; D662-R665 PolarHBondContact O-N 3.15Å; D662-R665 IonicContact OD1-NH1 2.81Å; D662-R665 PolarHBondContact OD1-NH1 3.39Å; R665-G668 PolarHBondContact O-N 3.34Å; R665-S669 PolarHBondContact O-N 3.06Å |
| 666 | Q | 94 | Very high | 90 | Very high | 88 Ų | 88 | 89.1 Ų | 89.1 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 176.6 | -73.6 | 177.7 | 20.3 | 0 | 0 | 111.9 | D662 L663 G668 S669 L670 | D662-Q666 WeakPolarHBondContact O-CG 3.24Å; D662-Q666 PolarHBondContact O-N 2.89Å; L663-Q666 WeakPolarHBondContact O-CB 3.41Å; L663-Q666 PolarHBondContact O-N 3.15Å; Q666-G668 VanDerWaalsContact C-N 3.32Å; Q666-G668 PolarHBondContact O-N 3.43Å; Q666-S669 PolarHBondContact O-N 3.38Å; Q666-L670 WeakPolarHBondContact O-CG 3.37Å; Q666-L670 PolarHBondContact O-N 3.49Å |
| 667 | V | 90.3 | Very high | 89.1 | Confident | 60 Ų | 60 | 89.3 Ų | 89.3 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 176 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | L663 D664 L670 R671 | L663-V667 VanDerWaalsContact O-CG2 3.31Å; L663-V667 WeakPolarHBondContact O-CG2 3.35Å; L663-V667 PolarHBondContact O-N 2.91Å; D664-V667 PolarHBondContact O-N 3.24Å; V667-L670 PolarHBondContact O-N 3.02Å; V667-R671 HydrophobicContact CG1-CG 4.44Å; V667-R671 WeakPolarHBondContact O-CB 3.46Å; V667-R671 VanDerWaalsContact O-CG 3.27Å; V667-R671 WeakPolarHBondContact O-CG 3.35Å; V667-R671 PolarHBondContact O-N 3.39Å |
| 668 | G | 93.1 | Very high | 88.3 | Confident | 34 Ų | 34 | 93.5 Ų | 93.5 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.6 | -50.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D664 R665 Q666 L670 R671 T672 | D664-G668 PolarHBondContact O-N 3.03Å; R665-G668 PolarHBondContact O-N 3.34Å; Q666-G668 VanDerWaalsContact C-N 3.32Å; Q666-G668 PolarHBondContact O-N 3.43Å; G668-L670 PolarHBondContact O-N 3.34Å; G668-R671 WeakPolarHBondContact O-CB 3.39Å; G668-R671 PolarHBondContact O-N 2.84Å; G668-R671 VanDerWaalsContact O-N 3.15Å; G668-T672 PolarHBondContact O-N 2.96Å |
| 669 | S | 90.8 | Very high | 87.2 | Confident | 73 Ų | 73 | 95 Ų | 95 | 51% | 0.51 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 177.4 | -171.7 | 0 | 0 | 0 | 0 | 113.1 | R665 Q666 R671 T672 E673 | R665-S669 PolarHBondContact O-N 3.06Å; Q666-S669 PolarHBondContact O-N 3.38Å; S669-R671 VanDerWaalsContact C-N 3.3Å; S669-R671 PolarHBondContact O-N 3.27Å; S669-T672 WeakPolarHBondContact CA-OG1 3.29Å; S669-T672 PolarHBondContact O-N 2.64Å; S669-T672 PolarHBondContact O-OG1 2.94Å; S669-E673 WeakPolarHBondContact O-CB 3.24Å; S669-E673 PolarHBondContact O-N 3.48Å |
| 670 | L | 89 | Confident | 85.7 | Confident | 76 Ų | 76 | 95.5 Ų | 95.5 | 40% | 0.398 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.7 | -30.4 | 175.6 | -72 | 172.6 | 0 | 0 | 0 | 112 | Q666 V667 G668 N674 | Q666-L670 WeakPolarHBondContact O-CG 3.37Å; Q666-L670 PolarHBondContact O-N 3.49Å; V667-L670 PolarHBondContact O-N 3.02Å; G668-L670 PolarHBondContact O-N 3.34Å; L670-N674 VanDerWaalsContact O-CB 3.3Å; L670-N674 WeakPolarHBondContact O-CB 3.48Å; L670-N674 PolarHBondContact O-N 2.86Å; L670-N674 PolarHBondContact O-ND2 2.95Å |
| 671 | R | 91.1 | Very high | 84.5 | Confident | 182 Ų | 182 | 95.2 Ų | 95.2 | 69% | 0.687 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -70.2 | -41.3 | 174.1 | -76.8 | 174.4 | 179.6 | -179.7 | 3.2 | 111.5 | V667 G668 S669 N674 A675 | V667-R671 HydrophobicContact CG1-CG 4.44Å; V667-R671 WeakPolarHBondContact O-CB 3.46Å; V667-R671 VanDerWaalsContact O-CG 3.27Å; V667-R671 WeakPolarHBondContact O-CG 3.35Å; V667-R671 PolarHBondContact O-N 3.39Å; G668-R671 WeakPolarHBondContact O-CB 3.39Å; G668-R671 PolarHBondContact O-N 2.84Å; G668-R671 VanDerWaalsContact O-N 3.15Å; S669-R671 VanDerWaalsContact C-N 3.3Å; S669-R671 PolarHBondContact O-N 3.27Å; R671-N674 PolarHBondContact O-N 3.43Å; R671-A675 WeakPolarHBondContact O-CB 3.45Å; R671-A675 PolarHBondContact O-N 3.31Å |
| 672 | T | 86.1 | Confident | 83.3 | Confident | 79 Ų | 79 | 99.1 Ų | 99.1 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 175.6 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | G668 S669 N674 A675 E676 | G668-T672 PolarHBondContact O-N 2.96Å; S669-T672 WeakPolarHBondContact CA-OG1 3.29Å; S669-T672 PolarHBondContact O-N 2.64Å; S669-T672 PolarHBondContact O-OG1 2.94Å; T672-N674 PolarHBondContact O-N 2.8Å; T672-A675 WeakPolarHBondContact O-CB 3.28Å; T672-A675 PolarHBondContact O-N 3.37Å; T672-E676 WeakPolarHBondContact O-CG 3.39Å; T672-E676 PolarHBondContact O-N 3.02Å |
| 673 | E | 89.7 | Confident | 81.7 | Confident | 99 Ų | 99 | 99.2 Ų | 99.2 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 175.8 | -173.7 | -179 | -173.1 | 0 | 0 | 111.8 | S669 A675 E676 L677 | S669-E673 WeakPolarHBondContact O-CB 3.24Å; S669-E673 PolarHBondContact O-N 3.48Å; E673-A675 VanDerWaalsContact C-N 3.31Å; E673-A675 PolarHBondContact O-N 3.26Å; E673-E676 PolarHBondContact O-N 3.44Å; E673-L677 HydrophobicContact CG-CD1 4.42Å; E673-L677 WeakPolarHBondContact O-CB 3.49Å; E673-L677 WeakPolarHBondContact O-CG 3.42Å; E673-L677 PolarHBondContact O-N 3.35Å |
| 674 | N | 75.2 | Confident | 80.3 | Confident | 76 Ų | 76 | 101.1 Ų | 101.1 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -34.3 | 173.9 | -90.4 | -70.8 | 0 | 0 | 0 | 112.9 | L670 R671 T672 R678 | L670-N674 VanDerWaalsContact O-CB 3.3Å; L670-N674 WeakPolarHBondContact O-CB 3.48Å; L670-N674 PolarHBondContact O-N 2.86Å; L670-N674 PolarHBondContact O-ND2 2.95Å; R671-N674 PolarHBondContact O-N 3.43Å; T672-N674 PolarHBondContact O-N 2.8Å; N674-R678 WeakPolarHBondContact O-CB 3.38Å; N674-R678 WeakPolarHBondContact O-CG 3.39Å; N674-R678 PolarHBondContact O-N 2.84Å |
| 675 | A | 82 | Confident | 79.1 | Confident | 50 Ų | 50 | 98.2 Ų | 98.2 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R671 T672 E673 R678 Q679 | R671-A675 WeakPolarHBondContact O-CB 3.45Å; R671-A675 PolarHBondContact O-N 3.31Å; T672-A675 WeakPolarHBondContact O-CB 3.28Å; T672-A675 PolarHBondContact O-N 3.37Å; E673-A675 VanDerWaalsContact C-N 3.31Å; E673-A675 PolarHBondContact O-N 3.26Å; A675-R678 PolarHBondContact O-N 2.91Å; A675-Q679 WeakPolarHBondContact O-CG 3.49Å; A675-Q679 PolarHBondContact O-N 2.99Å |
| 676 | E | 77.4 | Confident | 77.9 | Confident | 127 Ų | 127 | 94.8 Ų | 94.8 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -47.3 | 174.8 | -70.3 | 175 | -176.2 | 0 | 0 | 111.9 | T672 E673 R678 Q679 L680 | T672-E676 WeakPolarHBondContact O-CG 3.39Å; T672-E676 PolarHBondContact O-N 3.02Å; E673-E676 PolarHBondContact O-N 3.44Å; E676-R678 VanDerWaalsContact C-N 3.3Å; E676-R678 PolarHBondContact O-N 3.15Å; E676-Q679 PolarHBondContact O-N 3.12Å; E676-Q679 VanDerWaalsContact O-N 3.08Å; E676-L680 PolarHBondContact O-N 2.85Å |
| 677 | L | 75.2 | Confident | 77 | Confident | 93 Ų | 93 | 94.7 Ų | 94.7 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 175.5 | -75.3 | 172.5 | 0 | 0 | 0 | 111.7 | E673 Q679 L680 T681 | E673-L677 HydrophobicContact CG-CD1 4.42Å; E673-L677 WeakPolarHBondContact O-CB 3.49Å; E673-L677 WeakPolarHBondContact O-CG 3.42Å; E673-L677 PolarHBondContact O-N 3.35Å; L677-Q679 VanDerWaalsContact C-N 3.34Å; L677-Q679 PolarHBondContact O-N 3.04Å; L677-L680 PolarHBondContact O-N 2.98Å; L677-T681 PolarHBondContact O-N 3.41Å; L677-T681 PolarHBondContact O-OG1 3.47Å |
| 678 | R | 74.6 | Confident | 76.3 | Confident | 155 Ų | 155 | 96.4 Ų | 96.4 | 59% | 0.585 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -35.9 | 175.1 | -77.9 | 171.8 | 176.8 | 166.9 | -0.3 | 112.6 | N674 A675 E676 K682 | N674-R678 WeakPolarHBondContact O-CB 3.38Å; N674-R678 WeakPolarHBondContact O-CG 3.39Å; N674-R678 PolarHBondContact O-N 2.84Å; A675-R678 PolarHBondContact O-N 2.91Å; E676-R678 VanDerWaalsContact C-N 3.3Å; E676-R678 PolarHBondContact O-N 3.15Å; R678-K682 WeakPolarHBondContact O-CG 3.49Å; R678-K682 PolarHBondContact O-N 3.33Å |
| 679 | Q | 70.1 | Confident | 75.6 | Confident | 152 Ų | 152 | 100.2 Ų | 100.2 | 71% | 0.71 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.7 | -44.1 | 173.2 | -71.5 | -146.8 | 6.6 | 0 | 0 | 111.4 | A675 E676 L677 T681 K682 S683 | A675-Q679 WeakPolarHBondContact O-CG 3.49Å; A675-Q679 PolarHBondContact O-N 2.99Å; E676-Q679 PolarHBondContact O-N 3.12Å; E676-Q679 VanDerWaalsContact O-N 3.08Å; L677-Q679 VanDerWaalsContact C-N 3.34Å; L677-Q679 PolarHBondContact O-N 3.04Å; Q679-T681 VanDerWaalsContact C-N 3.29Å; Q679-T681 PolarHBondContact O-N 2.79Å; Q679-K682 PolarHBondContact O-N 2.88Å; Q679-S683 PolarHBondContact O-N 3.36Å; Q679-S683 PolarHBondContact O-OG 2.88Å |
| 680 | L | 63.7 | Low | 75.1 | Confident | 109 Ų | 109 | 102.9 Ų | 102.9 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.7 | -34.4 | 176.1 | -72 | 169.2 | 0 | 0 | 0 | 112.9 | E676 L677 | E676-L680 PolarHBondContact O-N 2.85Å; L677-L680 PolarHBondContact O-N 2.98Å |
| 681 | T | 67.1 | Low | 74.7 | Confident | 86 Ų | 86 | 101.6 Ų | 101.6 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | I | π-helix | trans | -73 | -32.9 | 178.6 | -10.4 | 0 | 0 | 0 | 0 | 112.7 | L677 Q679 | L677-T681 PolarHBondContact O-N 3.41Å; L677-T681 PolarHBondContact O-OG1 3.47Å; Q679-T681 VanDerWaalsContact C-N 3.29Å; Q679-T681 PolarHBondContact O-N 2.79Å |
| 682 | K | 66.5 | Low | 74.5 | Confident | 160 Ų | 160 | 97.1 Ų | 97.1 | 70% | 0.696 | 51% | 0.514 | S | S | * | . | I | π-helix | trans | -77.1 | -31.2 | -174.9 | -77.3 | 178.4 | -179.4 | -177.5 | 0 | 113.8 | R678 Q679 | R678-K682 WeakPolarHBondContact O-CG 3.49Å; R678-K682 PolarHBondContact O-N 3.33Å; Q679-K682 PolarHBondContact O-N 2.88Å |
| 683 | S | 60.6 | Low | 74.4 | Confident | 67 Ų | 67 | 98.6 Ų | 98.6 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | I | π-helix | trans | -97.4 | -26.8 | -168.8 | 55 | 0 | 0 | 0 | 0 | 116 | Q679 | Q679-S683 PolarHBondContact O-N 3.36Å; Q679-S683 PolarHBondContact O-OG 2.88Å |
| 684 | N | 63.5 | Low | 74.4 | Confident | 101 Ų | 101 | 96.3 Ų | 96.3 | 54% | 0.54 | 52% | 0.515 | S | S | . | . | I | π-helix | trans | -117.1 | -45 | -166 | -66.9 | -18.9 | 0 | 0 | 0 | 114.7 | V688 | N684-V688 WeakPolarHBondContact O-CB 3.27Å; N684-V688 WeakPolarHBondContact O-CG2 3.34Å |
| 685 | G | 67.4 | Low | 75.1 | Confident | 38 Ų | 38 | 98.6 Ų | 98.6 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | I | π-helix | trans | -79.8 | -48.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V688 L689 | G685-V688 PolarHBondContact O-N 3.41Å; G685-L689 WeakPolarHBondContact O-CB 3.43Å; G685-L689 VanDerWaalsContact O-CG 3.31Å; G685-L689 WeakPolarHBondContact O-CG 3.41Å; G685-L689 PolarHBondContact O-N 3.3Å |
| 686 | I | 68.5 | Low | 75.5 | Confident | 85 Ų | 85 | 101.5 Ų | 101.5 | 44% | 0.436 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.1 | -40.8 | -173.5 | -64.9 | 174.8 | 0 | 0 | 0 | 110.9 | L689 K690 | I686-L689 PolarHBondContact O-N 3.01Å; I686-K690 HydrophobicContact CG2-CD 4.04Å; I686-K690 HydrophobicContact CG2-CG 4.38Å; I686-K690 WeakPolarHBondContact O-CB 3.49Å; I686-K690 VanDerWaalsContact O-CG 3.27Å; I686-K690 WeakPolarHBondContact O-CG 3.37Å; I686-K690 PolarHBondContact O-N 3.09Å |
| 687 | D | 74.1 | Confident | 76.2 | Confident | 87 Ų | 87 | 100.2 Ų | 100.2 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.1 | -34.2 | -178.6 | -65.9 | -28.1 | 0 | 0 | 0 | 112.1 | K690 A691 | D687-K690 IonicContact OD1-NZ 3.54Å; D687-A691 WeakPolarHBondContact O-CB 3.33Å; D687-A691 PolarHBondContact O-N 2.81Å |
| 688 | V | 76 | Confident | 77 | Confident | 96 Ų | 96 | 100.4 Ų | 100.4 | 58% | 0.582 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.6 | -45.3 | 171.4 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | N684 G685 A691 E692 | N684-V688 WeakPolarHBondContact O-CB 3.27Å; N684-V688 WeakPolarHBondContact O-CG2 3.34Å; G685-V688 PolarHBondContact O-N 3.41Å; V688-A691 PolarHBondContact O-N 2.85Å; V688-E692 WeakPolarHBondContact O-CB 3.4Å; V688-E692 PolarHBondContact O-N 3.3Å |
| 689 | L | 78.1 | Confident | 77.8 | Confident | 114 Ų | 114 | 95.8 Ų | 95.8 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -40.5 | 177.7 | -72 | 173.8 | 0 | 0 | 0 | 112 | G685 I686 A691 E692 I693 | G685-L689 WeakPolarHBondContact O-CB 3.43Å; G685-L689 VanDerWaalsContact O-CG 3.31Å; G685-L689 WeakPolarHBondContact O-CG 3.41Å; G685-L689 PolarHBondContact O-N 3.3Å; I686-L689 PolarHBondContact O-N 3.01Å; L689-A691 VanDerWaalsContact C-N 3.35Å; L689-E692 PolarHBondContact O-N 3.07Å; L689-I693 VanDerWaalsContact O-CG1 3.28Å; L689-I693 WeakPolarHBondContact O-CG1 3.41Å; L689-I693 PolarHBondContact O-N 3.44Å |
| 690 | K | 80.2 | Confident | 78.8 | Confident | 129 Ų | 129 | 92.9 Ų | 92.9 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.2 | -43.5 | 173.6 | -77.3 | 173.7 | -179.3 | 170.8 | 0 | 111.8 | I686 D687 E692 I693 A694 | I686-K690 HydrophobicContact CG2-CD 4.04Å; I686-K690 HydrophobicContact CG2-CG 4.38Å; I686-K690 WeakPolarHBondContact O-CB 3.49Å; I686-K690 VanDerWaalsContact O-CG 3.27Å; I686-K690 WeakPolarHBondContact O-CG 3.37Å; I686-K690 PolarHBondContact O-N 3.09Å; D687-K690 IonicContact OD1-NZ 3.54Å; K690-E692 VanDerWaalsContact C-N 3.31Å; K690-E692 PolarHBondContact O-N 3.03Å; K690-I693 PolarHBondContact O-N 2.72Å; K690-A694 WeakPolarHBondContact O-CB 3.49Å; K690-A694 PolarHBondContact O-N 2.72Å |
| 691 | A | 81.1 | Confident | 80.1 | Confident | 48 Ų | 48 | 93 Ų | 93 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D687 V688 L689 A694 K695 | D687-A691 WeakPolarHBondContact O-CB 3.33Å; D687-A691 PolarHBondContact O-N 2.81Å; V688-A691 PolarHBondContact O-N 2.85Å; L689-A691 VanDerWaalsContact C-N 3.35Å; A691-A694 PolarHBondContact O-N 3.33Å; A691-K695 WeakPolarHBondContact O-CG 3.48Å; A691-K695 PolarHBondContact O-N 2.95Å |
| 692 | E | 87.8 | Confident | 81.4 | Confident | 88 Ų | 88 | 95.5 Ų | 95.5 | 41% | 0.411 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.2 | -40 | 178.4 | -162.5 | 62 | -166.2 | 0 | 0 | 112.6 | V688 L689 K690 A694 K695 L696 | V688-E692 WeakPolarHBondContact O-CB 3.4Å; V688-E692 PolarHBondContact O-N 3.3Å; L689-E692 PolarHBondContact O-N 3.07Å; K690-E692 VanDerWaalsContact C-N 3.31Å; K690-E692 PolarHBondContact O-N 3.03Å; E692-A694 VanDerWaalsContact C-N 3.3Å; E692-A694 PolarHBondContact O-N 2.99Å; E692-K695 PolarHBondContact O-N 3.43Å; E692-K695 IonicContact OE2-NZ 3.74Å; E692-K695 PolarHBondContact OE2-NZ 3.44Å; E692-L696 WeakPolarHBondContact O-CG 3.47Å; E692-L696 PolarHBondContact O-N 3.28Å |
| 693 | I | 84.5 | Confident | 82.5 | Confident | 110 Ų | 110 | 90.5 Ų | 90.5 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.3 | -42 | 172.6 | -70.1 | 167.2 | 0 | 0 | 0 | 110.6 | L689 K690 L696 N697 | L689-I693 VanDerWaalsContact O-CG1 3.28Å; L689-I693 WeakPolarHBondContact O-CG1 3.41Å; L689-I693 PolarHBondContact O-N 3.44Å; K690-I693 PolarHBondContact O-N 2.72Å; I693-L696 PolarHBondContact O-N 2.88Å; I693-N697 PolarHBondContact O-N 3.24Å |
| 694 | A | 88.5 | Confident | 83.9 | Confident | 51 Ų | 51 | 91.9 Ų | 91.9 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K690 A691 E692 L696 N697 D698 | K690-A694 WeakPolarHBondContact O-CB 3.49Å; K690-A694 PolarHBondContact O-N 2.72Å; A691-A694 PolarHBondContact O-N 3.33Å; E692-A694 VanDerWaalsContact C-N 3.3Å; E692-A694 PolarHBondContact O-N 2.99Å; A694-L696 VanDerWaalsContact C-N 3.35Å; A694-L696 PolarHBondContact O-N 3.39Å; A694-N697 WeakPolarHBondContact O-CB 3.48Å; A694-N697 PolarHBondContact O-N 3.44Å; A694-D698 PolarHBondContact O-N 2.89Å |
| 695 | K | 90.2 | Very high | 85.2 | Confident | 124 Ų | 124 | 90.2 Ų | 90.2 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 176.3 | -68.1 | 175.7 | -159.2 | 157.8 | 0 | 113.1 | A691 E692 N697 D698 A699 | A691-K695 WeakPolarHBondContact O-CG 3.48Å; A691-K695 PolarHBondContact O-N 2.95Å; E692-K695 PolarHBondContact O-N 3.43Å; E692-K695 IonicContact OE2-NZ 3.74Å; E692-K695 PolarHBondContact OE2-NZ 3.44Å; K695-N697 VanDerWaalsContact C-N 3.3Å; K695-D698 PolarHBondContact O-N 3.38Å; K695-A699 WeakPolarHBondContact O-CB 3.21Å; K695-A699 PolarHBondContact O-N 3.47Å |
| 696 | L | 90.4 | Very high | 86.4 | Confident | 112 Ų | 112 | 92.8 Ų | 92.8 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -37.8 | 177.9 | -74.6 | 171.4 | 0 | 0 | 0 | 111.4 | E692 I693 A694 L700 | E692-L696 WeakPolarHBondContact O-CG 3.47Å; E692-L696 PolarHBondContact O-N 3.28Å; I693-L696 PolarHBondContact O-N 2.88Å; A694-L696 VanDerWaalsContact C-N 3.35Å; A694-L696 PolarHBondContact O-N 3.39Å; L696-L700 WeakPolarHBondContact O-CB 3.24Å; L696-L700 PolarHBondContact O-N 2.93Å |
| 697 | N | 91.6 | Very high | 87.5 | Confident | 99 Ų | 99 | 92.8 Ų | 92.8 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 176.2 | -120.7 | 13.4 | 0 | 0 | 0 | 112.1 | I693 A694 K695 L700 L701 | I693-N697 PolarHBondContact O-N 3.24Å; A694-N697 WeakPolarHBondContact O-CB 3.48Å; A694-N697 PolarHBondContact O-N 3.44Å; K695-N697 VanDerWaalsContact C-N 3.3Å; N697-L700 WeakPolarHBondContact O-CB 3.41Å; N697-L700 PolarHBondContact O-N 3.32Å; N697-L701 PolarHBondContact O-N 3.49Å |
| 698 | D | 92.3 | Very high | 88.2 | Confident | 98 Ų | 98 | 93.2 Ų | 93.2 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176 | -68.4 | -20.6 | 0 | 0 | 0 | 111 | A694 K695 L700 L701 E702 | A694-D698 PolarHBondContact O-N 2.89Å; K695-D698 PolarHBondContact O-N 3.38Å; D698-L700 VanDerWaalsContact C-N 3.3Å; D698-L700 PolarHBondContact O-N 3.02Å; D698-L701 WeakPolarHBondContact O-CB 3.48Å; D698-L701 PolarHBondContact O-N 3.26Å; D698-E702 PolarHBondContact O-N 2.97Å |
| 699 | A | 91.8 | Very high | 89.1 | Confident | 57 Ų | 57 | 96.3 Ų | 96.3 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K695 E702 S703 | K695-A699 WeakPolarHBondContact O-CB 3.21Å; K695-A699 PolarHBondContact O-N 3.47Å; A699-E702 PolarHBondContact O-N 2.95Å; A699-S703 PolarHBondContact O-N 3.4Å |
| 700 | L | 91.9 | Very high | 89.8 | Confident | 91 Ų | 91 | 95.2 Ų | 95.2 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 175.5 | -164.2 | 105.6 | 0 | 0 | 0 | 110.9 | L696 N697 D698 E702 S703 H704 | L696-L700 WeakPolarHBondContact O-CB 3.24Å; L696-L700 PolarHBondContact O-N 2.93Å; N697-L700 WeakPolarHBondContact O-CB 3.41Å; N697-L700 PolarHBondContact O-N 3.32Å; D698-L700 VanDerWaalsContact C-N 3.3Å; D698-L700 PolarHBondContact O-N 3.02Å; L700-E702 VanDerWaalsContact C-N 3.32Å; L700-E702 PolarHBondContact O-N 3.48Å; L700-S703 PolarHBondContact O-N 2.86Å; L700-S703 PolarHBondContact O-OG 2.89Å; L700-H704 WeakPolarHBondContact CD2-NE2 3.43Å; L700-H704 PolarHBondContact O-CD2 2.9Å; L700-H704 PolarHBondContact O-N 3.31Å |
| 701 | L | 90.6 | Very high | 90.3 | Very high | 113 Ų | 113 | 93.1 Ų | 93.1 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.5 | -42.4 | 175 | -83.5 | 160.5 | 0 | 0 | 0 | 112.2 | N697 D698 S703 H704 S705 | N697-L701 PolarHBondContact O-N 3.49Å; D698-L701 WeakPolarHBondContact O-CB 3.48Å; D698-L701 PolarHBondContact O-N 3.26Å; L701-S703 PolarHBondContact O-N 3.26Å; L701-H704 PolarHBondContact O-N 3.4Å; L701-S705 PolarHBondContact O-N 3.2Å |
| 702 | E | 93.9 | Very high | 90.7 | Very high | 137 Ų | 137 | 98.5 Ų | 98.5 | 64% | 0.64 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.4 | -46.6 | 175.8 | -140 | 104.2 | -133.3 | 0 | 0 | 111 | D698 A699 L700 H704 S705 E706 | D698-E702 PolarHBondContact O-N 2.97Å; A699-E702 PolarHBondContact O-N 2.95Å; L700-E702 VanDerWaalsContact C-N 3.32Å; L700-E702 PolarHBondContact O-N 3.48Å; E702-H704 VanDerWaalsContact C-N 3.35Å; E702-H704 PolarHBondContact O-N 3.34Å; E702-S705 PolarHBondContact O-N 3.26Å; E702-S705 PolarHBondContact O-OG 2.92Å; E702-E706 PolarHBondContact O-N 3.49Å |
| 703 | S | 90.4 | Very high | 90.9 | Very high | 55 Ų | 55 | 98.4 Ų | 98.4 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 178.6 | 76.5 | 0 | 0 | 0 | 0 | 112.5 | A699 L700 L701 S705 E706 I707 | A699-S703 PolarHBondContact O-N 3.4Å; L700-S703 PolarHBondContact O-N 2.86Å; L700-S703 PolarHBondContact O-OG 2.89Å; L701-S703 PolarHBondContact O-N 3.26Å; S703-S705 VanDerWaalsContact C-N 3.35Å; S703-E706 PolarHBondContact O-N 2.96Å; S703-I707 VanDerWaalsContact O-CG1 3.31Å; S703-I707 WeakPolarHBondContact O-CG1 3.5Å; S703-I707 PolarHBondContact O-N 3.43Å |
| 704 | H | 89.3 | Confident | 91.2 | Very high | 96 Ų | 96 | 96.4 Ų | 96.4 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 174.1 | -77.2 | -58.5 | 0 | 0 | 0 | 111.6 | L700 L701 E702 E706 I707 D708 | L700-H704 WeakPolarHBondContact CD2-NE2 3.43Å; L700-H704 PolarHBondContact O-CD2 2.9Å; L700-H704 PolarHBondContact O-N 3.31Å; L701-H704 PolarHBondContact O-N 3.4Å; E702-H704 VanDerWaalsContact C-N 3.35Å; E702-H704 PolarHBondContact O-N 3.34Å; H704-E706 VanDerWaalsContact C-N 3.3Å; H704-E706 PolarHBondContact O-N 3.14Å; H704-I707 PolarHBondContact O-N 3.06Å; H704-D708 PolarHBondContact O-N 2.93Å |
| 705 | S | 90.7 | Very high | 91 | Very high | 66 Ų | 66 | 99.8 Ų | 99.8 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -34.5 | 176.7 | 79.6 | 0 | 0 | 0 | 0 | 112.8 | L701 E702 S703 R709 | L701-S705 PolarHBondContact O-N 3.2Å; E702-S705 PolarHBondContact O-N 3.26Å; E702-S705 PolarHBondContact O-OG 2.92Å; S703-S705 VanDerWaalsContact C-N 3.35Å; S705-R709 PolarHBondContact O-N 2.94Å; S705-R709 VanDerWaalsContact O-N 3.09Å |
| 706 | E | 91.8 | Very high | 90.8 | Very high | 92 Ų | 92 | 96.5 Ų | 96.5 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.6 | -39.8 | 176.2 | -173.4 | 60.1 | -164.8 | 0 | 0 | 111.6 | E702 S703 H704 D708 R709 L710 | E702-E706 PolarHBondContact O-N 3.49Å; S703-E706 PolarHBondContact O-N 2.96Å; H704-E706 VanDerWaalsContact C-N 3.3Å; H704-E706 PolarHBondContact O-N 3.14Å; E706-D708 VanDerWaalsContact C-N 3.32Å; E706-D708 PolarHBondContact O-N 3.5Å; E706-R709 WeakPolarHBondContact O-CB 3.42Å; E706-R709 PolarHBondContact O-N 3.48Å; E706-L710 WeakPolarHBondContact O-CG 3.33Å; E706-L710 PolarHBondContact O-N 3.46Å |
| 707 | I | 92.4 | Very high | 90.6 | Very high | 86 Ų | 86 | 96.8 Ų | 96.8 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 172.4 | -70 | 165.7 | 0 | 0 | 0 | 110.4 | S703 H704 R709 L710 L711 | S703-I707 VanDerWaalsContact O-CG1 3.31Å; S703-I707 WeakPolarHBondContact O-CG1 3.5Å; S703-I707 PolarHBondContact O-N 3.43Å; H704-I707 PolarHBondContact O-N 3.06Å; I707-R709 VanDerWaalsContact C-N 3.28Å; I707-R709 PolarHBondContact O-N 3.49Å; I707-L710 PolarHBondContact O-N 3.31Å; I707-L711 HydrophobicContact CG2-CD1 3.96Å; I707-L711 HydrophobicContact CG2-CG 4.34Å; I707-L711 WeakPolarHBondContact O-CB 3.24Å; I707-L711 WeakPolarHBondContact O-CG 3.43Å; I707-L711 PolarHBondContact O-N 3.21Å |
| 708 | D | 89.9 | Confident | 90 | Very high | 96 Ų | 96 | 97.2 Ų | 97.2 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 177.1 | -78.3 | -22.7 | 0 | 0 | 0 | 112.5 | H704 E706 K712 | H704-D708 PolarHBondContact O-N 2.93Å; E706-D708 VanDerWaalsContact C-N 3.32Å; E706-D708 PolarHBondContact O-N 3.5Å; D708-K712 WeakPolarHBondContact O-CG 3.37Å; D708-K712 PolarHBondContact O-N 2.87Å |
| 709 | R | 93.3 | Very high | 89.6 | Confident | 161 Ų | 161 | 98.9 Ų | 98.9 | 61% | 0.608 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.4 | -45.4 | 175.1 | -167.3 | -175.1 | -169.7 | 152.4 | 3.8 | 111.5 | S705 E706 I707 K712 I713 | S705-R709 PolarHBondContact O-N 2.94Å; S705-R709 VanDerWaalsContact O-N 3.09Å; E706-R709 WeakPolarHBondContact O-CB 3.42Å; E706-R709 PolarHBondContact O-N 3.48Å; I707-R709 VanDerWaalsContact C-N 3.28Å; I707-R709 PolarHBondContact O-N 3.49Å; R709-K712 WeakPolarHBondContact O-CB 3.28Å; R709-K712 PolarHBondContact O-N 3.24Å; R709-I713 WeakPolarHBondContact O-CG1 3.46Å; R709-I713 PolarHBondContact O-N 2.71Å; R709-I713 VanDerWaalsContact O-N 3.12Å |
| 710 | L | 92.9 | Very high | 89 | Confident | 90 Ų | 90 | 103.2 Ų | 103.2 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176 | -68.5 | 174 | 0 | 0 | 0 | 111.1 | E706 I707 K712 I713 V714 | E706-L710 WeakPolarHBondContact O-CG 3.33Å; E706-L710 PolarHBondContact O-N 3.46Å; I707-L710 PolarHBondContact O-N 3.31Å; L710-K712 VanDerWaalsContact C-N 3.31Å; L710-K712 PolarHBondContact O-N 2.96Å; L710-I713 PolarHBondContact O-N 3.19Å; L710-I713 VanDerWaalsContact O-N 3.12Å; L710-V714 WeakPolarHBondContact O-CG2 3.34Å; L710-V714 PolarHBondContact O-N 3.33Å |
| 711 | L | 90.4 | Very high | 88.4 | Confident | 85 Ų | 85 | 105.9 Ų | 105.9 | 45% | 0.445 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 175.3 | -75.4 | 172.4 | 0 | 0 | 0 | 112 | I707 V714 H715 | I707-L711 HydrophobicContact CG2-CD1 3.96Å; I707-L711 HydrophobicContact CG2-CG 4.34Å; I707-L711 WeakPolarHBondContact O-CB 3.24Å; I707-L711 WeakPolarHBondContact O-CG 3.43Å; I707-L711 PolarHBondContact O-N 3.21Å; L711-V714 PolarHBondContact O-N 3.26Å; L711-H715 PolarHBondContact O-N 3.32Å; L711-H715 PolarHBondContact O-ND1 2.87Å |
| 712 | K | 91 | Very high | 87.7 | Confident | 161 Ų | 161 | 106.4 Ų | 106.4 | 70% | 0.7 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -40.7 | 173.3 | -79.8 | 173.9 | -178.2 | 167.9 | 0 | 112.6 | D708 R709 L710 H715 A716 | D708-K712 WeakPolarHBondContact O-CG 3.37Å; D708-K712 PolarHBondContact O-N 2.87Å; R709-K712 WeakPolarHBondContact O-CB 3.28Å; R709-K712 PolarHBondContact O-N 3.24Å; L710-K712 VanDerWaalsContact C-N 3.31Å; L710-K712 PolarHBondContact O-N 2.96Å; K712-H715 PolarHBondContact O-N 2.99Å; K712-A716 PolarHBondContact O-N 3.43Å |
| 713 | I | 91.7 | Very high | 87 | Confident | 87 Ų | 87 | 103 Ų | 103 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 177.3 | -66.4 | 167.8 | 0 | 0 | 0 | 110 | R709 L710 H715 A716 M717 | R709-I713 WeakPolarHBondContact O-CG1 3.46Å; R709-I713 PolarHBondContact O-N 2.71Å; R709-I713 VanDerWaalsContact O-N 3.12Å; L710-I713 PolarHBondContact O-N 3.19Å; L710-I713 VanDerWaalsContact O-N 3.12Å; I713-H715 PolarHBondContact O-N 3.49Å; I713-A716 WeakPolarHBondContact O-CB 3.22Å; I713-A716 PolarHBondContact O-N 2.93Å; I713-A716 VanDerWaalsContact O-N 3.15Å; I713-M717 HydrophobicContact CG2-CG 4.36Å; I713-M717 HydrophobicContact CG2-SD 4.04Å; I713-M717 WeakPolarHBondContact O-CG 3.35Å; I713-M717 PolarHBondContact O-N 3.04Å |
| 714 | V | 89.7 | Confident | 86.1 | Confident | 67 Ų | 67 | 101.9 Ų | 101.9 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59 | -47.8 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | L710 L711 A716 M717 E718 | L710-V714 WeakPolarHBondContact O-CG2 3.34Å; L710-V714 PolarHBondContact O-N 3.33Å; L711-V714 PolarHBondContact O-N 3.26Å; V714-A716 VanDerWaalsContact C-N 3.29Å; V714-A716 PolarHBondContact O-N 3.35Å; V714-M717 PolarHBondContact O-N 3.28Å; V714-M717 VanDerWaalsContact O-N 3.15Å; V714-E718 HydrophobicContact CG1-CG 4.32Å; V714-E718 WeakPolarHBondContact O-CG 3.45Å; V714-E718 PolarHBondContact O-N 3.12Å |
| 715 | H | 84.3 | Confident | 85.6 | Confident | 123 Ų | 123 | 98.9 Ų | 98.9 | 57% | 0.569 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.9 | -37.3 | 176 | -79.8 | 92.1 | 0 | 0 | 0 | 112.8 | L711 K712 I713 K719 | L711-H715 PolarHBondContact O-N 3.32Å; L711-H715 PolarHBondContact O-ND1 2.87Å; K712-H715 PolarHBondContact O-N 2.99Å; I713-H715 PolarHBondContact O-N 3.49Å; H715-K719 WeakPolarHBondContact O-CB 3.37Å; H715-K719 PolarHBondContact O-N 2.95Å; H715-K719 VanDerWaalsContact O-N 3.1Å |
| 716 | A | 87.5 | Confident | 84.8 | Confident | 55 Ų | 55 | 102.1 Ų | 102.1 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K712 I713 V714 K719 E720 | K712-A716 PolarHBondContact O-N 3.43Å; I713-A716 WeakPolarHBondContact O-CB 3.22Å; I713-A716 PolarHBondContact O-N 2.93Å; I713-A716 VanDerWaalsContact O-N 3.15Å; V714-A716 VanDerWaalsContact C-N 3.29Å; V714-A716 PolarHBondContact O-N 3.35Å; A716-K719 PolarHBondContact O-N 3.39Å; A716-E720 PolarHBondContact O-N 3.2Å |
| 717 | M | 85.1 | Confident | 83.8 | Confident | 118 Ų | 118 | 103.6 Ų | 103.6 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -39.2 | 176.8 | -70.4 | 179.9 | 63.9 | 0 | 0 | 112.6 | I713 V714 K719 E720 Q721 | I713-M717 HydrophobicContact CG2-CG 4.36Å; I713-M717 HydrophobicContact CG2-SD 4.04Å; I713-M717 WeakPolarHBondContact O-CG 3.35Å; I713-M717 PolarHBondContact O-N 3.04Å; V714-M717 PolarHBondContact O-N 3.28Å; V714-M717 VanDerWaalsContact O-N 3.15Å; M717-K719 VanDerWaalsContact C-N 3.31Å; M717-E720 PolarHBondContact O-N 2.92Å; M717-Q721 WeakPolarHBondContact O-CB 3.41Å; M717-Q721 PolarHBondContact O-N 2.88Å |
| 718 | E | 79.1 | Confident | 82.8 | Confident | 107 Ų | 107 | 103.3 Ų | 103.3 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 174.4 | -75.7 | 177.7 | 160.6 | 0 | 0 | 111 | V714 Q721 E722 | V714-E718 HydrophobicContact CG1-CG 4.32Å; V714-E718 WeakPolarHBondContact O-CG 3.45Å; V714-E718 PolarHBondContact O-N 3.12Å; E718-Q721 WeakPolarHBondContact O-CB 3.39Å; E718-Q721 PolarHBondContact O-N 3.46Å; E718-E722 PolarHBondContact O-N 3.35Å |
| 719 | K | 83.5 | Confident | 81.8 | Confident | 134 Ų | 134 | 102.8 Ų | 102.8 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -42.5 | 176.1 | -165.7 | 174.8 | -177.9 | 179 | 0 | 112.6 | H715 A716 M717 Q721 E722 D723 | H715-K719 WeakPolarHBondContact O-CB 3.37Å; H715-K719 PolarHBondContact O-N 2.95Å; H715-K719 VanDerWaalsContact O-N 3.1Å; A716-K719 PolarHBondContact O-N 3.39Å; M717-K719 VanDerWaalsContact C-N 3.31Å; K719-Q721 VanDerWaalsContact C-N 3.32Å; K719-Q721 PolarHBondContact O-N 3.36Å; K719-E722 PolarHBondContact O-N 3.41Å; K719-D723 PolarHBondContact O-N 3.48Å |
| 720 | E | 80.7 | Confident | 80.6 | Confident | 148 Ų | 148 | 101.2 Ų | 101.2 | 69% | 0.692 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -36.6 | 173.6 | -73.4 | -169 | 167.7 | 0 | 0 | 112.3 | A716 M717 D723 G724 | A716-E720 PolarHBondContact O-N 3.2Å; M717-E720 PolarHBondContact O-N 2.92Å; E720-D723 PolarHBondContact O-N 3Å; E720-G724 PolarHBondContact O-N 2.91Å |
| 721 | Q | 78 | Confident | 79.4 | Confident | 146 Ų | 146 | 102.6 Ų | 102.6 | 68% | 0.682 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 173.5 | -86.7 | -72.3 | -5.9 | 0 | 0 | 112.3 | M717 E718 K719 G724 G725 | M717-Q721 WeakPolarHBondContact O-CB 3.41Å; M717-Q721 PolarHBondContact O-N 2.88Å; E718-Q721 WeakPolarHBondContact O-CB 3.39Å; E718-Q721 PolarHBondContact O-N 3.46Å; K719-Q721 VanDerWaalsContact C-N 3.32Å; K719-Q721 PolarHBondContact O-N 3.36Å; Q721-G724 PolarHBondContact O-N 3.48Å; Q721-G725 PolarHBondContact O-N 2.98Å |
| 722 | E | 77.2 | Confident | 78.4 | Confident | 125 Ų | 125 | 104.5 Ų | 104.5 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -39.4 | 175 | -75.3 | -174.3 | 171.2 | 0 | 0 | 112.5 | E718 K719 R726 | E718-E722 PolarHBondContact O-N 3.35Å; K719-E722 PolarHBondContact O-N 3.41Å; E722-R726 WeakPolarHBondContact O-CG 3.4Å; E722-R726 PolarHBondContact O-N 3Å; E722-R726 PolarHBondContact O-NE 3.36Å |
| 723 | D | 77.6 | Confident | 77.4 | Confident | 64 Ų | 64 | 101.3 Ų | 101.3 | 34% | 0.342 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.6 | -39.4 | 177.4 | -71.6 | -25.6 | 0 | 0 | 0 | 111.8 | K719 E720 R726 H727 | K719-D723 PolarHBondContact O-N 3.48Å; E720-D723 PolarHBondContact O-N 3Å; D723-R726 PolarHBondContact O-N 3.05Å; D723-R726 IonicContact OD1-CZ 2.83Å; D723-R726 IonicContact OD1-NE 3.37Å; D723-R726 IonicContact OD1-NH1 3.86Å; D723-R726 IonicContact OD1-NH2 2.71Å; D723-R726 PolarHBondContact OD1-NH2 3.32Å; D723-H727 PolarHBondContact O-N 3.01Å; D723-H727 VanDerWaalsContact O-N 3.08Å; D723-H727 PolarHBondContact O-ND1 3.45Å |
| 724 | G | 73.3 | Confident | 76.1 | Confident | 33 Ų | 33 | 105.9 Ų | 105.9 | 34% | 0.34 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E720 Q721 R726 H727 V728 | E720-G724 PolarHBondContact O-N 2.91Å; Q721-G724 PolarHBondContact O-N 3.48Å; G724-R726 VanDerWaalsContact C-N 3.31Å; G724-R726 PolarHBondContact O-N 3.1Å; G724-H727 WeakPolarHBondContact O-CB 3.39Å; G724-H727 PolarHBondContact O-N 3.46Å; G724-V728 WeakPolarHBondContact O-CG2 3.47Å; G724-V728 PolarHBondContact O-N 3.47Å |
| 725 | G | 77.3 | Confident | 74.7 | Confident | 33 Ų | 33 | 108.7 Ų | 108.7 | 34% | 0.34 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q721 N729 | Q721-G725 PolarHBondContact O-N 2.98Å; G725-N729 WeakPolarHBondContact O-CB 3.43Å; G725-N729 PolarHBondContact O-N 2.96Å |
| 726 | R | 74.9 | Confident | 73.5 | Confident | 134 Ų | 134 | 111.2 Ų | 111.2 | 51% | 0.506 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 171.5 | -80.1 | -178.3 | -93.8 | 162.2 | -4.2 | 111.9 | E722 D723 G724 V728 N729 E730 | E722-R726 WeakPolarHBondContact O-CG 3.4Å; E722-R726 PolarHBondContact O-N 3Å; E722-R726 PolarHBondContact O-NE 3.36Å; D723-R726 PolarHBondContact O-N 3.05Å; D723-R726 IonicContact OD1-CZ 2.83Å; D723-R726 IonicContact OD1-NE 3.37Å; D723-R726 IonicContact OD1-NH1 3.86Å; D723-R726 IonicContact OD1-NH2 2.71Å; D723-R726 PolarHBondContact OD1-NH2 3.32Å; G724-R726 VanDerWaalsContact C-N 3.31Å; G724-R726 PolarHBondContact O-N 3.1Å; R726-V728 PolarHBondContact O-N 3.44Å; R726-N729 WeakPolarHBondContact O-CB 3.39Å; R726-N729 PolarHBondContact O-N 2.89Å; R726-E730 PolarHBondContact O-N 2.94Å |
| 727 | H | 70.8 | Confident | 72.3 | Confident | 122 Ų | 122 | 112.7 Ų | 112.7 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.6 | -43.5 | 175 | -92.9 | 80.6 | 0 | 0 | 0 | 113.2 | D723 G724 N729 E730 L731 | D723-H727 PolarHBondContact O-N 3.01Å; D723-H727 VanDerWaalsContact O-N 3.08Å; D723-H727 PolarHBondContact O-ND1 3.45Å; G724-H727 WeakPolarHBondContact O-CB 3.39Å; G724-H727 PolarHBondContact O-N 3.46Å; H727-N729 VanDerWaalsContact C-N 3.33Å; H727-N729 PolarHBondContact O-N 2.85Å; H727-E730 PolarHBondContact O-N 2.89Å; H727-L731 WeakPolarHBondContact O-CB 3.49Å; H727-L731 WeakPolarHBondContact O-CG 3.48Å; H727-L731 PolarHBondContact O-N 3.44Å |
| 728 | V | 70.6 | Confident | 71.2 | Confident | 80 Ų | 80 | 114 Ų | 114 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 178.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | G724 R726 R732 | G724-V728 WeakPolarHBondContact O-CG2 3.47Å; G724-V728 PolarHBondContact O-N 3.47Å; R726-V728 PolarHBondContact O-N 3.44Å; V728-R732 WeakPolarHBondContact O-CB 3.44Å; V728-R732 PolarHBondContact O-N 3.32Å |
| 729 | N | 69.2 | Low | 69.8 | Low | 85 Ų | 85 | 111.7 Ų | 111.7 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 173.4 | -101.2 | -42.8 | 0 | 0 | 0 | 111.7 | G725 R726 H727 R732 V733 | G725-N729 WeakPolarHBondContact O-CB 3.43Å; G725-N729 PolarHBondContact O-N 2.96Å; R726-N729 WeakPolarHBondContact O-CB 3.39Å; R726-N729 PolarHBondContact O-N 2.89Å; H727-N729 VanDerWaalsContact C-N 3.33Å; H727-N729 PolarHBondContact O-N 2.85Å; N729-R732 PolarHBondContact O-N 2.88Å; N729-R732 PolarHBondContact OD1-NH2 3.23Å; N729-V733 WeakPolarHBondContact O-CG2 3.36Å; N729-V733 PolarHBondContact O-N 2.85Å |
| 730 | E | 68.6 | Low | 68.4 | Low | 128 Ų | 128 | 109.5 Ų | 109.5 | 60% | 0.598 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.3 | -44.6 | 177.4 | -76.5 | -179.9 | 174.2 | 0 | 0 | 112.2 | R726 H727 R732 V733 Y734 | R726-E730 PolarHBondContact O-N 2.94Å; H727-E730 PolarHBondContact O-N 2.89Å; E730-R732 PolarHBondContact O-N 2.96Å; E730-V733 PolarHBondContact O-N 3.19Å; E730-Y734 PolarHBondContact O-N 3.01Å |
| 731 | L | 67.8 | Low | 66.9 | Low | 119 Ų | 119 | 111 Ų | 111 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 175.4 | -76.2 | 169.9 | 0 | 0 | 0 | 112.2 | H727 Y734 M735 | H727-L731 WeakPolarHBondContact O-CB 3.49Å; H727-L731 WeakPolarHBondContact O-CG 3.48Å; H727-L731 PolarHBondContact O-N 3.44Å; L731-Y734 PolarHBondContact O-N 3.42Å; L731-M735 WeakPolarHBondContact O-CB 3.48Å; L731-M735 PolarHBondContact O-N 2.97Å |
| 732 | R | 69.4 | Low | 65.3 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 48% | 0.475 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 177.1 | 178.3 | 169.3 | 46.1 | -118.8 | 3.3 | 111.7 | V728 N729 E730 M735 Y736 | V728-R732 WeakPolarHBondContact O-CB 3.44Å; V728-R732 PolarHBondContact O-N 3.32Å; N729-R732 PolarHBondContact O-N 2.88Å; N729-R732 PolarHBondContact OD1-NH2 3.23Å; E730-R732 PolarHBondContact O-N 2.96Å; R732-M735 PolarHBondContact O-N 3.09Å; R732-Y736 WeakPolarHBondContact O-CB 3.42Å; R732-Y736 PolarHBondContact O-N 3.2Å |
| 733 | V | 69.4 | Low | 63.7 | Low | 93 Ų | 93 | 109.9 Ų | 109.9 | 56% | 0.564 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.5 | -44.5 | 173.5 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | N729 E730 M735 Y736 V737 | N729-V733 WeakPolarHBondContact O-CG2 3.36Å; N729-V733 PolarHBondContact O-N 2.85Å; E730-V733 PolarHBondContact O-N 3.19Å; V733-M735 VanDerWaalsContact C-N 3.34Å; V733-M735 PolarHBondContact O-N 3.35Å; V733-Y736 PolarHBondContact O-N 2.71Å; V733-V737 WeakPolarHBondContact O-CG2 3.4Å; V733-V737 PolarHBondContact O-N 2.99Å |
| 734 | Y | 64.1 | Low | 61.8 | Low | 183 Ų | 183 | 111.4 Ų | 111.4 | 72% | 0.718 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.4 | -44.4 | 175.5 | -114.1 | -84 | 0 | 0 | 0 | 112.3 | E730 L731 V737 F738 | E730-Y734 PolarHBondContact O-N 3.01Å; L731-Y734 PolarHBondContact O-N 3.42Å; Y734-V737 PolarHBondContact O-N 3.01Å; Y734-F738 WeakPolarHBondContact O-CB 3.42Å; Y734-F738 PolarHBondContact O-N 3.42Å |
| 735 | M | 60.6 | Low | 59.8 | Low | 126 Ų | 126 | 113.7 Ų | 113.7 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.5 | -41.6 | 178 | -167 | 177.3 | 74.5 | 0 | 0 | 111.3 | L731 R732 V733 V737 F738 T739 | L731-M735 WeakPolarHBondContact O-CB 3.48Å; L731-M735 PolarHBondContact O-N 2.97Å; R732-M735 PolarHBondContact O-N 3.09Å; V733-M735 VanDerWaalsContact C-N 3.34Å; V733-M735 PolarHBondContact O-N 3.35Å; M735-V737 PolarHBondContact O-N 2.98Å; M735-F738 PolarHBondContact O-N 2.88Å; M735-T739 WeakPolarHBondContact O-CB 3.31Å; M735-T739 PolarHBondContact O-N 2.94Å; M735-T739 PolarHBondContact O-OG1 3.43Å |
| 736 | Y | 58.6 | Low | 57.5 | Low | 176 Ų | 176 | 118.1 Ų | 118.1 | 69% | 0.69 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.9 | -43.6 | 177.4 | -163.3 | -95.1 | 0 | 0 | 0 | 111.5 | R732 V733 T739 T740 | R732-Y736 WeakPolarHBondContact O-CB 3.42Å; R732-Y736 PolarHBondContact O-N 3.2Å; V733-Y736 PolarHBondContact O-N 2.71Å; Y736-T739 PolarHBondContact O-N 3.23Å; Y736-T740 WeakPolarHBondContact O-CB 3.39Å; Y736-T740 PolarHBondContact O-N 3.48Å; Y736-T740 PolarHBondContact O-OG1 2.99Å |
| 737 | V | 62.3 | Low | 55.4 | Low | 87 Ų | 87 | 121.5 Ų | 121.5 | 53% | 0.527 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.5 | -38.8 | 176.6 | 178 | 0 | 0 | 0 | 0 | 111.8 | V733 Y734 M735 | V733-V737 WeakPolarHBondContact O-CG2 3.4Å; V733-V737 PolarHBondContact O-N 2.99Å; Y734-V737 PolarHBondContact O-N 3.01Å; M735-V737 PolarHBondContact O-N 2.98Å |
| 738 | F | 63 | Low | 53.4 | Low | 145 Ų | 145 | 125.5 Ų | 125.5 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.1 | -41.8 | 176.9 | -156.8 | -91.5 | 0 | 0 | 0 | 111.8 | Y734 M735 K741 L742 | Y734-F738 WeakPolarHBondContact O-CB 3.42Å; Y734-F738 PolarHBondContact O-N 3.42Å; M735-F738 PolarHBondContact O-N 2.88Å; F738-K741 PolarHBondContact O-N 2.9Å; F738-L742 HydrophobicContact CD1-CD1 4.14Å; F738-L742 HydrophobicContact CE1-CD1 3.91Å |
| 739 | T | 49.5 | Very low | 51.3 | Low | 58 Ų | 58 | 124.9 Ų | 124.9 | 36% | 0.356 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -74 | -33.7 | -176.9 | -41.5 | 0 | 0 | 0 | 0 | 111.5 | M735 Y736 K741 L742 I743 | M735-T739 WeakPolarHBondContact O-CB 3.31Å; M735-T739 PolarHBondContact O-N 2.94Å; M735-T739 PolarHBondContact O-OG1 3.43Å; Y736-T739 PolarHBondContact O-N 3.23Å; T739-K741 PolarHBondContact O-N 3.32Å; T739-L742 PolarHBondContact O-N 2.85Å; T739-L742 VanDerWaalsContact O-N 3.12Å; T739-I743 HydrophobicContact CG2-CD1 3.55Å; T739-I743 HydrophobicContact CG2-CG1 4.25Å; T739-I743 WeakPolarHBondContact O-CG1 3.44Å; T739-I743 PolarHBondContact O-N 3.5Å |
| 740 | T | 53.7 | Low | 49.3 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 55% | 0.546 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -63.3 | -27.1 | 175.8 | -49.9 | 0 | 0 | 0 | 0 | 112.2 | Y736 | Y736-T740 WeakPolarHBondContact O-CB 3.39Å; Y736-T740 PolarHBondContact O-N 3.48Å; Y736-T740 PolarHBondContact O-OG1 2.99Å |
| 741 | K | 49.7 | Very low | 47.4 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 77% | 0.774 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -78.6 | -19 | 175.4 | -82.4 | -177.2 | 176.7 | 176.3 | 0 | 114.8 | F738 T739 | F738-K741 PolarHBondContact O-N 2.9Å; T739-K741 PolarHBondContact O-N 3.32Å |
| 742 | L | 44 | Very low | 45.5 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -98.3 | -16.9 | -176.9 | -78.3 | 167.8 | 0 | 0 | 0 | 114.2 | F738 T739 | F738-L742 HydrophobicContact CD1-CD1 4.14Å; F738-L742 HydrophobicContact CE1-CD1 3.91Å; T739-L742 PolarHBondContact O-N 2.85Å; T739-L742 VanDerWaalsContact O-N 3.12Å |
| 743 | I | 43.8 | Very low | 43.6 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 64% | 0.641 | 71% | 0.705 | S | S | * | * | trans | -90.5 | -2.8 | -171.7 | -64.8 | 175.4 | 0 | 0 | 0 | 113.4 | T739 A745 | T739-I743 HydrophobicContact CG2-CD1 3.55Å; T739-I743 HydrophobicContact CG2-CG1 4.25Å; T739-I743 WeakPolarHBondContact O-CG1 3.44Å; T739-I743 PolarHBondContact O-N 3.5Å; I743-A745 PolarHBondContact O-N 3.19Å | ||
| 744 | A | 37.5 | Very low | 41.6 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | trans | -75.3 | 61.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 745 | A | 31 | Very low | 39.6 | Very low | 81 Ų | 81 | 141.5 Ų | 141.5 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | trans | -150.6 | 114.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I743 | I743-A745 PolarHBondContact O-N 3.19Š| ||
| 746 | P | 29.3 | Very low | 37.9 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -98.1 | 122.9 | -171.1 | 34.2 | -29.2 | 0 | 0 | 0 | 112.6 | ||||
| 747 | K | 31.3 | Very low | 36.6 | Very low | 205 Ų | 205 | 141.9 Ų | 141.9 | 89% | 0.891 | 72% | 0.723 | S | S | * | * | trans | -154.7 | 103 | 156.8 | -67.5 | -163.1 | 177.1 | 178.5 | 0 | 108.6 | ||||
| 748 | Q | 27.5 | Very low | 34.9 | Very low | 206 Ų | 206 | 146.6 Ų | 146.6 | 96% | 0.963 | 74% | 0.744 | S | S | * | * | 52.8 | 121 | 96.9 | -86.5 | -163.2 | -14.7 | 0 | 0 | 115.7 | |||||
| 749 | G | 27.7 | Very low | 33.2 | Very low | 67 Ų | 67 | 143.5 Ų | 143.5 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | trans | 132.5 | 85.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 750 | E | 27 | Very low | 32.4 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | 80 | 140.6 | 92.3 | -83.1 | -171.4 | 168.4 | 0 | 0 | 114.9 | |||||
| 751 | R | 29.1 | Very low | 31.3 | Very low | 234 Ų | 234 | 148.2 Ų | 148.2 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | 90.8 | 138.7 | 173.9 | -61.2 | 176.5 | 174.7 | 176.3 | -1.1 | 114.7 | ||||
| 752 | S | 28 | Very low | 31 | Very low | 92 Ų | 92 | 144 Ų | 144 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | cis | -178.9 | 134.4 | -9.9 | -104.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 753 | R | 28.2 | Very low | 30.8 | Very low | 231 Ų | 231 | 144.5 Ų | 144.5 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | 51 | 90 | 145.9 | -60.7 | 179.9 | -171.9 | 157.6 | 1.9 | 117.5 | ||||
| 754 | E | 27.4 | Very low | 30.8 | Very low | 207 Ų | 207 | 143.8 Ų | 143.8 | 97% | 0.967 | 78% | 0.778 | S | S | * | * | trans | -93.2 | 102.2 | 141.6 | -73.2 | 178.2 | 177.1 | 0 | 0 | 107.6 | ||||
| 755 | F | 23.4 | Very low | 31.5 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 59% | 0.592 | 77% | 0.772 | S | S | * | * | trans | -126 | 113.6 | 168.4 | 178.3 | -116.5 | 0 | 0 | 0 | 104.4 | ||||
| 756 | W | 25 | Very low | 32.7 | Very low | 212 Ų | 212 | 147 Ų | 147 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | -172.1 | 140.3 | 117.9 | -85.9 | 108.6 | 0 | 0 | 0 | 110 | |||||
| 757 | T | 30.6 | Very low | 34.1 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 61% | 0.607 | 76% | 0.762 | S | S | * | * | trans | -68.3 | 137.4 | -168.8 | 39.5 | 0 | 0 | 0 | 0 | 114.5 | A759 | T757-A759 PolarHBondContact O-N 3.46Å; T757-A759 VanDerWaalsContact O-N 3.11Å | ||
| 758 | L | 26.1 | Very low | 35.6 | Very low | 186 Ų | 186 | 143.1 Ų | 143.1 | 97% | 0.974 | 75% | 0.75 | S | S | * | * | trans | -43.2 | 99.9 | 154.8 | -158.6 | 79.3 | 0 | 0 | 0 | 111.2 | ||||
| 759 | A | 27.5 | Very low | 37.5 | Very low | 80 Ų | 80 | 137 Ų | 137 | 66% | 0.661 | 73% | 0.728 | S | S | * | * | trans | -138.8 | 106.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | T757 | T757-A759 PolarHBondContact O-N 3.46Å; T757-A759 VanDerWaalsContact O-N 3.11Å | ||
| 760 | S | 32.7 | Very low | 39.6 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | 52.7 | 79.9 | 145.3 | -51.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 761 | C | 31.8 | Very low | 42 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 85% | 0.851 | 71% | 0.709 | S | S | * | * | trans | -70.3 | 130 | 152.5 | -79.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 762 | P | 42.8 | Very low | 44.3 | Very low | 90 Ų | 90 | 130.2 Ų | 130.2 | 58% | 0.584 | 69% | 0.694 | S | S | * | * | trans | -66 | 154.6 | 178.8 | 28.8 | -32.9 | 0 | 0 | 0 | 110.4 | E764 | P762-E764 VanDerWaalsContact C-N 3.31Å; P762-E764 HydrophobicContact CG-CG 4.46Å; P762-E764 PolarHBondContact O-N 3.34Å | ||
| 763 | P | 40.2 | Very low | 46.9 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 88% | 0.877 | 68% | 0.682 | S | S | * | * | trans | -68.7 | 90.5 | 175.2 | 29.4 | -31.4 | 0 | 0 | 0 | 108.5 | ||||
| 764 | E | 44.2 | Very low | 49.6 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 51% | 0.509 | 66% | 0.661 | S | S | . | * | trans | -75.4 | 138 | -179.6 | -82.2 | -167.2 | 156.8 | 0 | 0 | 111.1 | P762 K766 | P762-E764 VanDerWaalsContact C-N 3.31Å; P762-E764 HydrophobicContact CG-CG 4.46Å; P762-E764 PolarHBondContact O-N 3.34Å; E764-K766 PolarHBondContact O-N 3.03Å; E764-K766 IonicContact OE1-NZ 2.74Å; E764-K766 VanDerWaalsContact OE2-CE 3.3Å; E764-K766 WeakPolarHBondContact OE2-CE 3.43Å; E764-K766 IonicContact OE2-NZ 3.71Å; E764-K766 PolarHBondContact OE2-NZ 2.83Å | ||
| 765 | P | 50.8 | Low | 52.4 | Low | 103 Ų | 103 | 114.5 Ų | 114.5 | 67% | 0.669 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 13.9 | -174.5 | -1.2 | 15.2 | 0 | 0 | 0 | 114.8 | I767 L768 C769 | P765-I767 VanDerWaalsContact C-N 3.32Å; P765-I767 PolarHBondContact O-N 3.46Å; P765-L768 WeakPolarHBondContact O-CB 3.33Å; P765-L768 PolarHBondContact O-N 3.06Å; P765-L768 VanDerWaalsContact O-N 3.17Å; P765-C769 PolarHBondContact O-N 3.21Å; P765-C769 VanDerWaalsContact O-N 3.1Å |
| 766 | K | 56 | Low | 55.3 | Low | 141 Ų | 141 | 112.5 Ų | 112.5 | 61% | 0.613 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.6 | -28.8 | -175.4 | -71.3 | 174.5 | -179.3 | 154.3 | 0 | 112.8 | E764 L768 C769 L770 | E764-K766 PolarHBondContact O-N 3.03Å; E764-K766 IonicContact OE1-NZ 2.74Å; E764-K766 VanDerWaalsContact OE2-CE 3.3Å; E764-K766 WeakPolarHBondContact OE2-CE 3.43Å; E764-K766 IonicContact OE2-NZ 3.71Å; E764-K766 PolarHBondContact OE2-NZ 2.83Å; K766-L768 VanDerWaalsContact C-N 3.31Å; K766-C769 PolarHBondContact O-N 3.32Å; K766-L770 WeakPolarHBondContact O-CB 3.45Å; K766-L770 PolarHBondContact O-N 2.93Å |
| 767 | I | 60.2 | Low | 58.3 | Low | 129 Ų | 129 | 108.6 Ų | 108.6 | 66% | 0.662 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.5 | -42.2 | 173 | -61.4 | 175.2 | 0 | 0 | 0 | 109.9 | P765 L770 I771 | P765-I767 VanDerWaalsContact C-N 3.32Å; P765-I767 PolarHBondContact O-N 3.46Å; I767-L770 PolarHBondContact O-N 3.27Å; I767-I771 HydrophobicContact CG2-CD1 3.72Å; I767-I771 HydrophobicContact CG2-CG1 4.35Å; I767-I771 WeakPolarHBondContact O-CB 3.39Å; I767-I771 VanDerWaalsContact O-CG1 3.26Å; I767-I771 WeakPolarHBondContact O-CG1 3.43Å; I767-I771 PolarHBondContact O-N 3.15Å |
| 768 | L | 61.7 | Low | 61.2 | Low | 122 Ų | 122 | 110.3 Ų | 110.3 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.1 | -39.1 | 179.6 | -134.6 | 147.8 | 0 | 0 | 0 | 110.9 | P765 K766 I771 Q772 | P765-L768 WeakPolarHBondContact O-CB 3.33Å; P765-L768 PolarHBondContact O-N 3.06Å; P765-L768 VanDerWaalsContact O-N 3.17Å; K766-L768 VanDerWaalsContact C-N 3.31Å; L768-I771 PolarHBondContact O-N 2.84Å; L768-Q772 WeakPolarHBondContact O-CB 3.23Å; L768-Q772 PolarHBondContact O-N 3.48Å |
| 769 | C | 66.4 | Low | 64.3 | Low | 76 Ų | 76 | 105 Ų | 105 | 51% | 0.514 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.3 | -41.2 | 172.7 | -173.4 | 0 | 0 | 0 | 0 | 112.8 | P765 K766 Q772 T773 | P765-C769 PolarHBondContact O-N 3.21Å; P765-C769 VanDerWaalsContact O-N 3.1Å; K766-C769 PolarHBondContact O-N 3.32Å; C769-Q772 PolarHBondContact O-N 2.85Å; C769-T773 PolarHBondContact O-N 3.34Å; C769-T773 PolarHBondContact O-OG1 2.88Å |
| 770 | L | 73.6 | Confident | 67.3 | Low | 120 Ų | 120 | 106.4 Ų | 106.4 | 63% | 0.628 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.2 | -40.7 | 177.7 | -164.8 | 72.6 | 0 | 0 | 0 | 111.7 | K766 I767 T773 V774 | K766-L770 WeakPolarHBondContact O-CB 3.45Å; K766-L770 PolarHBondContact O-N 2.93Å; I767-L770 PolarHBondContact O-N 3.27Å; L770-T773 VanDerWaalsContact CA-OG1 3.3Å; L770-T773 WeakPolarHBondContact CA-OG1 3.35Å; L770-T773 PolarHBondContact O-OG1 2.85Å; L770-V774 WeakPolarHBondContact O-CB 3.47Å; L770-V774 VanDerWaalsContact O-CG2 3.25Å; L770-V774 WeakPolarHBondContact O-CG2 3.43Å; L770-V774 PolarHBondContact O-N 3.48Å |
| 771 | I | 75.7 | Confident | 70.1 | Confident | 101 Ų | 101 | 107.4 Ų | 107.4 | 52% | 0.518 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.3 | -45.2 | 173.7 | -68.2 | 168.7 | 0 | 0 | 0 | 109.8 | I767 L768 T773 V774 V775 | I767-I771 HydrophobicContact CG2-CD1 3.72Å; I767-I771 HydrophobicContact CG2-CG1 4.35Å; I767-I771 WeakPolarHBondContact O-CB 3.39Å; I767-I771 VanDerWaalsContact O-CG1 3.26Å; I767-I771 WeakPolarHBondContact O-CG1 3.43Å; I767-I771 PolarHBondContact O-N 3.15Å; L768-I771 PolarHBondContact O-N 2.84Å; I771-T773 VanDerWaalsContact C-N 3.35Å; I771-T773 PolarHBondContact O-N 2.98Å; I771-V774 PolarHBondContact O-N 3.46Å; I771-V775 HydrophobicContact CG2-CG2 4.08Å; I771-V775 WeakPolarHBondContact O-CB 3.42Å; I771-V775 VanDerWaalsContact O-CG2 3.25Å; I771-V775 WeakPolarHBondContact O-CG2 3.33Å; I771-V775 PolarHBondContact O-N 3.03Å |
| 772 | Q | 77.5 | Confident | 73 | Confident | 121 Ų | 121 | 105.3 Ų | 105.3 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.4 | -38.1 | -179.8 | -172.8 | 157.6 | 18.8 | 0 | 0 | 112.5 | L768 C769 M776 | L768-Q772 WeakPolarHBondContact O-CB 3.23Å; L768-Q772 PolarHBondContact O-N 3.48Å; C769-Q772 PolarHBondContact O-N 2.85Å; Q772-M776 VanDerWaalsContact O-CB 3.31Å; Q772-M776 WeakPolarHBondContact O-CB 3.4Å; Q772-M776 WeakPolarHBondContact O-CG 3.4Å; Q772-M776 PolarHBondContact O-N 3.24Å |
| 773 | T | 82.3 | Confident | 75.2 | Confident | 61 Ų | 61 | 106.7 Ų | 106.7 | 37% | 0.374 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 172.7 | 36.1 | 0 | 0 | 0 | 0 | 111.8 | C769 L770 I771 M776 H777 | C769-T773 PolarHBondContact O-N 3.34Å; C769-T773 PolarHBondContact O-OG1 2.88Å; L770-T773 VanDerWaalsContact CA-OG1 3.3Å; L770-T773 WeakPolarHBondContact CA-OG1 3.35Å; L770-T773 PolarHBondContact O-OG1 2.85Å; I771-T773 VanDerWaalsContact C-N 3.35Å; I771-T773 PolarHBondContact O-N 2.98Å; T773-M776 PolarHBondContact O-N 3.32Å; T773-H777 PolarHBondContact O-CD2 2.94Å; T773-H777 PolarHBondContact O-N 2.96Å |
| 774 | V | 85.9 | Confident | 77.6 | Confident | 72 Ų | 72 | 105.4 Ų | 105.4 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 112.1 | L770 I771 H777 K778 | L770-V774 WeakPolarHBondContact O-CB 3.47Å; L770-V774 VanDerWaalsContact O-CG2 3.25Å; L770-V774 WeakPolarHBondContact O-CG2 3.43Å; L770-V774 PolarHBondContact O-N 3.48Å; I771-V774 PolarHBondContact O-N 3.46Å; V774-H777 PolarHBondContact O-N 3.11Å; V774-K778 WeakPolarHBondContact O-CG 3.46Å; V774-K778 PolarHBondContact O-N 3.37Å |
| 775 | V | 85.6 | Confident | 79.9 | Confident | 67 Ų | 67 | 104.7 Ų | 104.7 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.4 | -50.5 | 175.6 | 169.3 | 0 | 0 | 0 | 0 | 109.7 | I771 H777 K778 D779 | I771-V775 HydrophobicContact CG2-CG2 4.08Å; I771-V775 WeakPolarHBondContact O-CB 3.42Å; I771-V775 VanDerWaalsContact O-CG2 3.25Å; I771-V775 WeakPolarHBondContact O-CG2 3.33Å; I771-V775 PolarHBondContact O-N 3.03Å; V775-H777 VanDerWaalsContact C-N 3.28Å; V775-H777 PolarHBondContact O-N 3.35Å; V775-K778 CarbonylContact O-C 3.59Å; V775-K778 WeakPolarHBondContact O-CA 3.5Å; V775-K778 WeakPolarHBondContact O-CB 3.19Å; V775-K778 PolarHBondContact O-N 3.33Å; V775-D779 WeakPolarHBondContact CG1-OD2 3.44Å; V775-D779 VanDerWaalsContact O-CG 3.28Å; V775-D779 PolarHBondContact O-N 2.88Å |
| 776 | M | 85.9 | Confident | 81.8 | Confident | 94 Ų | 94 | 104.6 Ų | 104.6 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.3 | -37.8 | 175.7 | -84.4 | -159.4 | 58.9 | 0 | 0 | 113.8 | Q772 T773 K780 | Q772-M776 VanDerWaalsContact O-CB 3.31Å; Q772-M776 WeakPolarHBondContact O-CB 3.4Å; Q772-M776 WeakPolarHBondContact O-CG 3.4Å; Q772-M776 PolarHBondContact O-N 3.24Å; T773-M776 PolarHBondContact O-N 3.32Å; M776-K780 WeakPolarHBondContact O-CB 3.28Å; M776-K780 VanDerWaalsContact O-CG 3.31Å; M776-K780 WeakPolarHBondContact O-CG 3.39Å; M776-K780 PolarHBondContact O-N 2.82Å |
| 777 | H | 87.4 | Confident | 83.4 | Confident | 130 Ų | 130 | 103.5 Ų | 103.5 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.5 | -36 | 175.4 | -81.4 | -63.7 | 0 | 0 | 0 | 112.5 | T773 V774 V775 R781 | T773-H777 PolarHBondContact O-CD2 2.94Å; T773-H777 PolarHBondContact O-N 2.96Å; V774-H777 PolarHBondContact O-N 3.11Å; V775-H777 VanDerWaalsContact C-N 3.28Å; V775-H777 PolarHBondContact O-N 3.35Å; H777-R781 WeakPolarHBondContact O-CB 3.32Å; H777-R781 PolarHBondContact O-N 2.87Å |
| 778 | K | 91.6 | Very high | 85 | Confident | 134 Ų | 134 | 99.4 Ų | 99.4 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.7 | -41.5 | 174.4 | -73.9 | -176.7 | 175.4 | -170.3 | 0 | 111.5 | V774 V775 R781 I782 | V774-K778 WeakPolarHBondContact O-CG 3.46Å; V774-K778 PolarHBondContact O-N 3.37Å; V775-K778 CarbonylContact O-C 3.59Å; V775-K778 WeakPolarHBondContact O-CA 3.5Å; V775-K778 WeakPolarHBondContact O-CB 3.19Å; V775-K778 PolarHBondContact O-N 3.33Å; K778-R781 CarbonylContact O-C 3.59Å; K778-R781 WeakPolarHBondContact O-CB 3.46Å; K778-R781 PolarHBondContact O-N 3.21Å; K778-R781 VanDerWaalsContact O-N 3.16Å; K778-I782 VanDerWaalsContact O-CG1 3.23Å; K778-I782 WeakPolarHBondContact O-CG1 3.26Å; K778-I782 PolarHBondContact O-N 3.25Å |
| 779 | D | 90.5 | Very high | 86.4 | Confident | 76 Ų | 76 | 99 Ų | 99 | 41% | 0.406 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 177.9 | -63.6 | -24.8 | 0 | 0 | 0 | 110.7 | V775 R781 I782 E783 | V775-D779 WeakPolarHBondContact CG1-OD2 3.44Å; V775-D779 VanDerWaalsContact O-CG 3.28Å; V775-D779 PolarHBondContact O-N 2.88Å; D779-R781 VanDerWaalsContact C-N 3.28Å; D779-R781 PolarHBondContact O-N 2.69Å; D779-I782 WeakPolarHBondContact O-CB 3.29Å; D779-I782 PolarHBondContact O-N 2.89Å; D779-I782 VanDerWaalsContact O-N 3.1Å; D779-E783 WeakPolarHBondContact O-CG 3.27Å; D779-E783 PolarHBondContact O-N 2.84Å |
| 780 | K | 91.3 | Very high | 87.6 | Confident | 108 Ų | 108 | 101.8 Ų | 101.8 | 47% | 0.47 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.6 | -39.7 | 172.5 | -73.3 | 177.9 | -179.8 | -174.5 | 0 | 112.7 | M776 I782 E783 E784 | M776-K780 WeakPolarHBondContact O-CB 3.28Å; M776-K780 VanDerWaalsContact O-CG 3.31Å; M776-K780 WeakPolarHBondContact O-CG 3.39Å; M776-K780 PolarHBondContact O-N 2.82Å; K780-I782 VanDerWaalsContact C-N 3.33Å; K780-E783 PolarHBondContact O-N 3.12Å; K780-E784 WeakPolarHBondContact O-CG 3.46Å; K780-E784 PolarHBondContact O-N 3.49Å |
| 781 | R | 91.9 | Very high | 88.5 | Confident | 140 Ų | 140 | 101.7 Ų | 101.7 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -34.7 | 177.3 | -176.7 | 55.5 | 174.9 | 176.7 | 3.1 | 112 | H777 K778 D779 E784 L785 | H777-R781 WeakPolarHBondContact O-CB 3.32Å; H777-R781 PolarHBondContact O-N 2.87Å; K778-R781 CarbonylContact O-C 3.59Å; K778-R781 WeakPolarHBondContact O-CB 3.46Å; K778-R781 PolarHBondContact O-N 3.21Å; K778-R781 VanDerWaalsContact O-N 3.16Å; D779-R781 VanDerWaalsContact C-N 3.28Å; D779-R781 PolarHBondContact O-N 2.69Å; R781-E784 WeakPolarHBondContact CD-OE2 3.5Å; R781-E784 IonicContact CZ-OE2 3.88Å; R781-E784 IonicContact NH1-OE2 2.73Å; R781-E784 PolarHBondContact NH1-OE2 2.97Å; R781-L785 HydrophobicContact CG-CD1 4.33Å; R781-L785 WeakPolarHBondContact O-CB 3.43Å; R781-L785 VanDerWaalsContact O-CG 3.25Å; R781-L785 WeakPolarHBondContact O-CG 3.35Å; R781-L785 PolarHBondContact O-N 2.97Å; R781-L785 VanDerWaalsContact O-N 3.11Å |
| 782 | I | 90.7 | Very high | 89.1 | Confident | 83 Ų | 83 | 100 Ų | 100 | 43% | 0.426 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.6 | -46.5 | 174 | -69.9 | 162.5 | 0 | 0 | 0 | 109.2 | K778 D779 K780 E784 L785 E786 | K778-I782 VanDerWaalsContact O-CG1 3.23Å; K778-I782 WeakPolarHBondContact O-CG1 3.26Å; K778-I782 PolarHBondContact O-N 3.25Å; D779-I782 WeakPolarHBondContact O-CB 3.29Å; D779-I782 PolarHBondContact O-N 2.89Å; D779-I782 VanDerWaalsContact O-N 3.1Å; K780-I782 VanDerWaalsContact C-N 3.33Å; I782-E784 PolarHBondContact O-N 3.28Å; I782-L785 CarbonylContact O-C 3.6Å; I782-L785 PolarHBondContact O-N 3.11Å; I782-L785 VanDerWaalsContact O-N 3.11Å; I782-E786 HydrophobicContact CG2-CG 4.16Å; I782-E786 WeakPolarHBondContact CG2-OE1 3.36Å; I782-E786 WeakPolarHBondContact O-CB 3.47Å; I782-E786 WeakPolarHBondContact O-CG 3.32Å; I782-E786 PolarHBondContact O-N 3.3Å |
| 783 | E | 90.3 | Very high | 89.7 | Confident | 118 Ų | 118 | 98.6 Ų | 98.6 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -55.6 | -47.7 | 174.9 | -72.8 | 172 | -179.1 | 0 | 0 | 111.6 | D779 K780 L785 E786 E787 | D779-E783 WeakPolarHBondContact O-CG 3.27Å; D779-E783 PolarHBondContact O-N 2.84Å; K780-E783 PolarHBondContact O-N 3.12Å; E783-L785 VanDerWaalsContact C-N 3.34Å; E783-L785 PolarHBondContact O-N 3.42Å; E783-E786 PolarHBondContact O-N 2.93Å; E783-E787 WeakPolarHBondContact O-CB 3.34Å; E783-E787 PolarHBondContact O-N 2.94Å |
| 784 | E | 90.5 | Very high | 90.2 | Very high | 109 Ų | 109 | 98.4 Ų | 98.4 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 175 | -75.2 | 171.8 | -171.7 | 0 | 0 | 113 | K780 R781 I782 A788 | K780-E784 WeakPolarHBondContact O-CG 3.46Å; K780-E784 PolarHBondContact O-N 3.49Å; R781-E784 WeakPolarHBondContact CD-OE2 3.5Å; R781-E784 IonicContact CZ-OE2 3.88Å; R781-E784 IonicContact NH1-OE2 2.73Å; R781-E784 PolarHBondContact NH1-OE2 2.97Å; I782-E784 PolarHBondContact O-N 3.28Å; E784-A788 WeakPolarHBondContact O-CB 3.43Å; E784-A788 PolarHBondContact O-N 2.84Å |
| 785 | L | 92.8 | Very high | 90.2 | Very high | 94 Ų | 94 | 98.4 Ų | 98.4 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.7 | -34.7 | 179.3 | -72.4 | 172.7 | 0 | 0 | 0 | 111.9 | R781 I782 E783 L789 | R781-L785 HydrophobicContact CG-CD1 4.33Å; R781-L785 WeakPolarHBondContact O-CB 3.43Å; R781-L785 VanDerWaalsContact O-CG 3.25Å; R781-L785 WeakPolarHBondContact O-CG 3.35Å; R781-L785 PolarHBondContact O-N 2.97Å; R781-L785 VanDerWaalsContact O-N 3.11Å; I782-L785 CarbonylContact O-C 3.6Å; I782-L785 PolarHBondContact O-N 3.11Å; I782-L785 VanDerWaalsContact O-N 3.11Å; E783-L785 VanDerWaalsContact C-N 3.34Å; E783-L785 PolarHBondContact O-N 3.42Å; L785-L789 VanDerWaalsContact O-CB 3.27Å; L785-L789 WeakPolarHBondContact O-CB 3.36Å; L785-L789 PolarHBondContact O-N 2.71Å |
| 786 | E | 91.1 | Very high | 90.5 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 173.5 | -74 | -179.7 | 178.2 | 0 | 0 | 111.4 | I782 E783 L789 K790 | I782-E786 HydrophobicContact CG2-CG 4.16Å; I782-E786 WeakPolarHBondContact CG2-OE1 3.36Å; I782-E786 WeakPolarHBondContact O-CB 3.47Å; I782-E786 WeakPolarHBondContact O-CG 3.32Å; I782-E786 PolarHBondContact O-N 3.3Å; E783-E786 PolarHBondContact O-N 2.93Å; E786-L789 PolarHBondContact O-N 3.11Å; E786-K790 VanDerWaalsContact O-CG 3.24Å; E786-K790 WeakPolarHBondContact O-CG 3.29Å; E786-K790 PolarHBondContact O-N 2.83Å |
| 787 | E | 89.4 | Confident | 90.6 | Very high | 118 Ų | 118 | 96.2 Ų | 96.2 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.2 | -50.5 | 172.3 | -160.6 | 98.4 | -146.9 | 0 | 0 | 110.6 | E783 L789 K790 E791 | E783-E787 WeakPolarHBondContact O-CB 3.34Å; E783-E787 PolarHBondContact O-N 2.94Å; E787-L789 VanDerWaalsContact C-N 3.27Å; E787-L789 PolarHBondContact O-N 3.33Å; E787-K790 WeakPolarHBondContact O-CB 3.41Å; E787-K790 PolarHBondContact O-N 3.42Å; E787-K790 VanDerWaalsContact O-N 3.14Å; E787-E791 PolarHBondContact O-N 3.05Å |
| 788 | A | 92.8 | Very high | 90.7 | Very high | 43 Ų | 43 | 95.6 Ų | 95.6 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -33.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E784 S792 | E784-A788 WeakPolarHBondContact O-CB 3.43Å; E784-A788 PolarHBondContact O-N 2.84Å; A788-S792 WeakPolarHBondContact O-CB 3.3Å; A788-S792 PolarHBondContact O-N 3.3Å; A788-S792 PolarHBondContact O-OG 2.87Å |
| 789 | L | 91.3 | Very high | 90.6 | Very high | 114 Ų | 114 | 97.4 Ų | 97.4 | 60% | 0.597 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69 | -43.3 | 174.6 | -173.9 | 65.6 | 0 | 0 | 0 | 111.3 | L785 E786 E787 S792 V793 | L785-L789 VanDerWaalsContact O-CB 3.27Å; L785-L789 WeakPolarHBondContact O-CB 3.36Å; L785-L789 PolarHBondContact O-N 2.71Å; E786-L789 PolarHBondContact O-N 3.11Å; E787-L789 VanDerWaalsContact C-N 3.27Å; E787-L789 PolarHBondContact O-N 3.33Å; L789-S792 PolarHBondContact O-N 3.28Å; L789-V793 WeakPolarHBondContact O-CG2 3.43Å; L789-V793 PolarHBondContact O-N 3.06Å |
| 790 | K | 92.5 | Very high | 90.7 | Very high | 135 Ų | 135 | 100.2 Ų | 100.2 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.3 | -45 | 175 | -73.2 | 167.6 | -170.7 | 170.1 | 0 | 111.3 | E786 E787 V793 S794 | E786-K790 VanDerWaalsContact O-CG 3.24Å; E786-K790 WeakPolarHBondContact O-CG 3.29Å; E786-K790 PolarHBondContact O-N 2.83Å; E787-K790 WeakPolarHBondContact O-CB 3.41Å; E787-K790 PolarHBondContact O-N 3.42Å; E787-K790 VanDerWaalsContact O-N 3.14Å; K790-V793 PolarHBondContact O-N 3.48Å; K790-S794 PolarHBondContact O-N 2.95Å |
| 791 | E | 91.8 | Very high | 90.7 | Very high | 118 Ų | 118 | 99.8 Ų | 99.8 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 174.6 | -71.3 | -176.9 | 176.3 | 0 | 0 | 111.7 | E787 V793 S794 I795 | E787-E791 PolarHBondContact O-N 3.05Å; E791-V793 VanDerWaalsContact C-N 3.33Å; E791-V793 PolarHBondContact O-N 3.36Å; E791-S794 PolarHBondContact O-N 2.87Å; E791-I795 WeakPolarHBondContact O-CB 3.49Å; E791-I795 WeakPolarHBondContact O-CD1 3.35Å; E791-I795 WeakPolarHBondContact O-CG1 3.38Å; E791-I795 PolarHBondContact O-N 3.44Å |
| 792 | S | 87.4 | Confident | 90.7 | Very high | 66 Ų | 66 | 95.5 Ų | 95.5 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 178.6 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | A788 L789 T796 | A788-S792 WeakPolarHBondContact O-CB 3.3Å; A788-S792 PolarHBondContact O-N 3.3Å; A788-S792 PolarHBondContact O-OG 2.87Å; L789-S792 PolarHBondContact O-N 3.28Å; S792-T796 WeakPolarHBondContact O-CB 3.45Å; S792-T796 PolarHBondContact O-N 3.42Å; S792-T796 PolarHBondContact O-OG1 3.29Å |
| 793 | V | 91.9 | Very high | 90.8 | Very high | 90 Ų | 90 | 95.2 Ų | 95.2 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L789 K790 E791 I795 T796 A797 | L789-V793 WeakPolarHBondContact O-CG2 3.43Å; L789-V793 PolarHBondContact O-N 3.06Å; K790-V793 PolarHBondContact O-N 3.48Å; E791-V793 VanDerWaalsContact C-N 3.33Å; E791-V793 PolarHBondContact O-N 3.36Å; V793-I795 PolarHBondContact O-N 3.18Å; V793-T796 PolarHBondContact O-N 3.04Å; V793-A797 PolarHBondContact O-N 3.08Å |
| 794 | S | 91.5 | Very high | 90.9 | Very high | 57 Ų | 57 | 92.3 Ų | 92.3 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 175.6 | -164.4 | 0 | 0 | 0 | 0 | 111.4 | K790 E791 T796 A797 E798 | K790-S794 PolarHBondContact O-N 2.95Å; E791-S794 PolarHBondContact O-N 2.87Å; S794-T796 VanDerWaalsContact C-N 3.28Å; S794-T796 PolarHBondContact O-N 3.16Å; S794-A797 PolarHBondContact O-N 2.89Å; S794-E798 WeakPolarHBondContact O-CB 3.47Å; S794-E798 WeakPolarHBondContact O-CG 3.42Å; S794-E798 PolarHBondContact O-N 2.68Å; S794-E798 PolarHBondContact OG-OE1 2.86Å |
| 795 | I | 86.7 | Confident | 91 | Very high | 73 Ų | 73 | 92.9 Ų | 92.9 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 177.7 | -67.9 | 164.6 | 0 | 0 | 0 | 110.9 | E791 V793 R799 | E791-I795 WeakPolarHBondContact O-CB 3.49Å; E791-I795 WeakPolarHBondContact O-CD1 3.35Å; E791-I795 WeakPolarHBondContact O-CG1 3.38Å; E791-I795 PolarHBondContact O-N 3.44Å; V793-I795 PolarHBondContact O-N 3.18Å; I795-R799 HydrophobicContact CG2-CG 4.47Å; I795-R799 WeakPolarHBondContact O-CB 3.42Å; I795-R799 WeakPolarHBondContact O-CG 3.43Å; I795-R799 PolarHBondContact O-N 3.32Å |
| 796 | T | 90.5 | Very high | 90.9 | Very high | 70 Ų | 70 | 94.3 Ų | 94.3 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -44.8 | 177.8 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | S792 V793 S794 E798 R799 E800 | S792-T796 WeakPolarHBondContact O-CB 3.45Å; S792-T796 PolarHBondContact O-N 3.42Å; S792-T796 PolarHBondContact O-OG1 3.29Å; V793-T796 PolarHBondContact O-N 3.04Å; S794-T796 VanDerWaalsContact C-N 3.28Å; S794-T796 PolarHBondContact O-N 3.16Å; T796-E798 PolarHBondContact O-N 3.35Å; T796-R799 PolarHBondContact O-N 2.93Å; T796-E800 WeakPolarHBondContact O-CG 3.41Å; T796-E800 PolarHBondContact O-N 2.96Å |
| 797 | A | 88.9 | Confident | 90.9 | Very high | 44 Ų | 44 | 95.8 Ų | 95.8 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | V793 S794 E800 I801 | V793-A797 PolarHBondContact O-N 3.08Å; S794-A797 PolarHBondContact O-N 2.89Å; A797-E800 PolarHBondContact O-N 3.35Å; A797-I801 VanDerWaalsContact O-CG1 3.3Å; A797-I801 WeakPolarHBondContact O-CG1 3.27Å; A797-I801 PolarHBondContact O-N 3.39Å |
| 798 | E | 89 | Confident | 91.1 | Very high | 117 Ų | 117 | 95.9 Ų | 95.9 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 174.9 | -74.8 | 170.8 | -148.2 | 0 | 0 | 112 | S794 T796 I801 A802 | S794-E798 WeakPolarHBondContact O-CB 3.47Å; S794-E798 WeakPolarHBondContact O-CG 3.42Å; S794-E798 PolarHBondContact O-N 2.68Å; S794-E798 PolarHBondContact OG-OE1 2.86Å; T796-E798 PolarHBondContact O-N 3.35Å; E798-I801 PolarHBondContact O-N 3Å; E798-A802 WeakPolarHBondContact O-CB 3.5Å; E798-A802 PolarHBondContact O-N 3.18Å |
| 799 | R | 90.6 | Very high | 91.1 | Very high | 173 Ų | 173 | 98.3 Ų | 98.3 | 65% | 0.653 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | 174.6 | -76.3 | 171.4 | -178.5 | -176.1 | 3.2 | 111.8 | I795 T796 A802 V803 | I795-R799 HydrophobicContact CG2-CG 4.47Å; I795-R799 WeakPolarHBondContact O-CB 3.42Å; I795-R799 WeakPolarHBondContact O-CG 3.43Å; I795-R799 PolarHBondContact O-N 3.32Å; T796-R799 PolarHBondContact O-N 2.93Å; R799-A802 PolarHBondContact O-N 3.02Å; R799-V803 WeakPolarHBondContact O-CB 3.47Å; R799-V803 VanDerWaalsContact O-CG2 3.28Å; R799-V803 WeakPolarHBondContact O-CG2 3.46Å; R799-V803 PolarHBondContact O-N 3.03Å |
| 800 | E | 91.2 | Very high | 91.1 | Very high | 134 Ų | 134 | 95 Ų | 95 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 177.7 | -75.5 | -178 | 177.5 | 0 | 0 | 112 | T796 A797 V803 A804 | T796-E800 WeakPolarHBondContact O-CG 3.41Å; T796-E800 PolarHBondContact O-N 2.96Å; A797-E800 PolarHBondContact O-N 3.35Å; E800-V803 PolarHBondContact O-N 2.84Å; E800-A804 WeakPolarHBondContact O-CB 3.25Å; E800-A804 PolarHBondContact O-N 3.03Å |
| 801 | I | 91.6 | Very high | 91 | Very high | 99 Ų | 99 | 93.8 Ų | 93.8 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 174.3 | -66.8 | 165.6 | 0 | 0 | 0 | 110.5 | A797 E798 V803 A804 Q805 | A797-I801 VanDerWaalsContact O-CG1 3.3Å; A797-I801 WeakPolarHBondContact O-CG1 3.27Å; A797-I801 PolarHBondContact O-N 3.39Å; E798-I801 PolarHBondContact O-N 3Å; I801-V803 VanDerWaalsContact C-N 3.33Å; I801-V803 PolarHBondContact O-N 3.16Å; I801-A804 PolarHBondContact O-N 2.92Å; I801-Q805 HydrophobicContact CG2-CG 4.38Å; I801-Q805 WeakPolarHBondContact O-CB 3.35Å; I801-Q805 WeakPolarHBondContact O-CG 3.45Å; I801-Q805 PolarHBondContact O-N 3.39Å |
| 802 | A | 92.7 | Very high | 91 | Very high | 51 Ų | 51 | 93.1 Ų | 93.1 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E798 R799 Q805 H806 | E798-A802 WeakPolarHBondContact O-CB 3.5Å; E798-A802 PolarHBondContact O-N 3.18Å; R799-A802 PolarHBondContact O-N 3.02Å; A802-Q805 PolarHBondContact O-N 3.44Å; A802-H806 WeakPolarHBondContact O-CB 3.25Å; A802-H806 PolarHBondContact O-N 3.42Å |
| 803 | V | 92.7 | Very high | 91.1 | Very high | 76 Ų | 76 | 94.8 Ų | 94.8 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 174.9 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | R799 E800 I801 H806 K807 | R799-V803 WeakPolarHBondContact O-CB 3.47Å; R799-V803 VanDerWaalsContact O-CG2 3.28Å; R799-V803 WeakPolarHBondContact O-CG2 3.46Å; R799-V803 PolarHBondContact O-N 3.03Å; E800-V803 PolarHBondContact O-N 2.84Å; I801-V803 VanDerWaalsContact C-N 3.33Å; I801-V803 PolarHBondContact O-N 3.16Å; V803-H806 PolarHBondContact O-N 3.26Å; V803-K807 HydrophobicContact CG1-CD 4.18Å; V803-K807 HydrophobicContact CG1-CG 4.5Å; V803-K807 WeakPolarHBondContact O-CB 3.44Å; V803-K807 WeakPolarHBondContact O-CG 3.19Å; V803-K807 PolarHBondContact O-N 3.14Å |
| 804 | A | 92.8 | Very high | 91.2 | Very high | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E800 I801 K807 Q808 | E800-A804 WeakPolarHBondContact O-CB 3.25Å; E800-A804 PolarHBondContact O-N 3.03Å; I801-A804 PolarHBondContact O-N 2.92Å; A804-K807 PolarHBondContact O-N 2.91Å; A804-Q808 PolarHBondContact O-N 3.05Å |
| 805 | Q | 91.1 | Very high | 91.2 | Very high | 122 Ų | 122 | 100.6 Ų | 100.6 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.5 | -44.5 | 174.8 | -72.2 | 176.1 | -6.3 | 0 | 0 | 111.6 | I801 A802 K807 Q808 L809 | I801-Q805 HydrophobicContact CG2-CG 4.38Å; I801-Q805 WeakPolarHBondContact O-CB 3.35Å; I801-Q805 WeakPolarHBondContact O-CG 3.45Å; I801-Q805 PolarHBondContact O-N 3.39Å; A802-Q805 PolarHBondContact O-N 3.44Å; Q805-K807 PolarHBondContact O-N 3.42Å; Q805-Q808 PolarHBondContact O-N 3.47Å; Q805-L809 PolarHBondContact O-N 3.48Å |
| 806 | H | 91.2 | Very high | 91.5 | Very high | 124 Ų | 124 | 103.2 Ų | 103.2 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -41.5 | 176.5 | -169.7 | -64 | 0 | 0 | 0 | 111.7 | A802 V803 L809 C810 | A802-H806 WeakPolarHBondContact O-CB 3.25Å; A802-H806 PolarHBondContact O-N 3.42Å; V803-H806 PolarHBondContact O-N 3.26Å; H806-L809 PolarHBondContact O-N 2.9Å; H806-C810 PolarHBondContact CE1-SG 2.9Å; H806-C810 PolarHBondContact ND1-SG 3.49Å; H806-C810 PolarHBondContact O-N 3.36Å; H806-C810 PolarHBondContact O-SG 2.94Å; H806-C810 VanDerWaalsContact O-SG 3.35Å |
| 807 | K | 92.2 | Very high | 91.2 | Very high | 130 Ų | 130 | 102 Ų | 102 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -45 | 174.8 | -77.5 | 176.1 | 179.6 | 178.6 | 0 | 111.3 | V803 A804 Q805 L809 C810 H811 | V803-K807 HydrophobicContact CG1-CD 4.18Å; V803-K807 HydrophobicContact CG1-CG 4.5Å; V803-K807 WeakPolarHBondContact O-CB 3.44Å; V803-K807 WeakPolarHBondContact O-CG 3.19Å; V803-K807 PolarHBondContact O-N 3.14Å; A804-K807 PolarHBondContact O-N 2.91Å; Q805-K807 PolarHBondContact O-N 3.42Å; K807-L809 VanDerWaalsContact C-N 3.34Å; K807-L809 PolarHBondContact O-N 2.85Å; K807-C810 PolarHBondContact O-N 2.95Å; K807-H811 PolarHBondContact O-N 3.26Å; K807-H811 PolarHBondContact O-ND1 3.24Å |
| 808 | Q | 91.8 | Very high | 91.2 | Very high | 121 Ų | 121 | 102.7 Ų | 102.7 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -43.3 | 177.3 | -174.5 | 179.8 | -5.6 | 0 | 0 | 111.6 | A804 Q805 H811 Q812 | A804-Q808 PolarHBondContact O-N 3.05Å; Q805-Q808 PolarHBondContact O-N 3.47Å; Q808-H811 PolarHBondContact O-N 3.01Å; Q808-Q812 WeakPolarHBondContact O-CG 3.41Å; Q808-Q812 PolarHBondContact O-N 2.99Å |
| 809 | L | 93.1 | Very high | 91.3 | Very high | 94 Ų | 94 | 98.8 Ų | 98.8 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 176.6 | -173 | 67.1 | 0 | 0 | 0 | 112 | Q805 H806 K807 H811 Q812 L813 | Q805-L809 PolarHBondContact O-N 3.48Å; H806-L809 PolarHBondContact O-N 2.9Å; K807-L809 VanDerWaalsContact C-N 3.34Å; K807-L809 PolarHBondContact O-N 2.85Å; L809-H811 PolarHBondContact O-N 3.42Å; L809-Q812 PolarHBondContact O-N 3.1Å; L809-L813 HydrophobicContact CG-CD1 4.31Å; L809-L813 WeakPolarHBondContact O-CG 3.38Å; L809-L813 PolarHBondContact O-N 2.88Å |
| 810 | C | 91.6 | Very high | 91.3 | Very high | 43 Ų | 43 | 95.3 Ų | 95.3 | 29% | 0.291 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 173.9 | -75.1 | 0 | 0 | 0 | 0 | 112 | H806 K807 Q812 L813 E814 | H806-C810 PolarHBondContact CE1-SG 2.9Å; H806-C810 PolarHBondContact ND1-SG 3.49Å; H806-C810 PolarHBondContact O-N 3.36Å; H806-C810 PolarHBondContact O-SG 2.94Å; H806-C810 VanDerWaalsContact O-SG 3.35Å; K807-C810 PolarHBondContact O-N 2.95Å; C810-Q812 VanDerWaalsContact C-N 3.31Å; C810-Q812 PolarHBondContact O-N 3.25Å; C810-L813 PolarHBondContact O-N 2.87Å; C810-E814 WeakPolarHBondContact O-CB 3.48Å; C810-E814 WeakPolarHBondContact O-CG 3.46Å; C810-E814 PolarHBondContact O-N 3.2Å |
| 811 | H | 90.5 | Very high | 91.3 | Very high | 111 Ų | 111 | 95.1 Ų | 95.1 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 177.9 | -73.9 | 75.3 | 0 | 0 | 0 | 111.8 | K807 Q808 L809 E814 Q815 | K807-H811 PolarHBondContact O-N 3.26Å; K807-H811 PolarHBondContact O-ND1 3.24Å; Q808-H811 PolarHBondContact O-N 3.01Å; L809-H811 PolarHBondContact O-N 3.42Å; H811-E814 PolarHBondContact O-N 3.24Å; H811-Q815 WeakPolarHBondContact O-CG 3.43Å; H811-Q815 PolarHBondContact O-N 2.95Å |
| 812 | Q | 92.1 | Very high | 91.2 | Very high | 104 Ų | 104 | 93.2 Ų | 93.2 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 175.6 | -71.6 | 176.9 | 2.3 | 0 | 0 | 112.2 | Q808 L809 C810 Q815 R816 | Q808-Q812 WeakPolarHBondContact O-CG 3.41Å; Q808-Q812 PolarHBondContact O-N 2.99Å; L809-Q812 PolarHBondContact O-N 3.1Å; C810-Q812 VanDerWaalsContact C-N 3.31Å; C810-Q812 PolarHBondContact O-N 3.25Å; Q812-Q815 PolarHBondContact O-N 2.93Å; Q812-R816 WeakPolarHBondContact O-CB 3.25Å; Q812-R816 PolarHBondContact O-N 3.17Å |
| 813 | L | 90 | Very high | 91.2 | Very high | 101 Ų | 101 | 97.1 Ų | 97.1 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.1 | -37.6 | 177.3 | -70.3 | 176.1 | 0 | 0 | 0 | 112.2 | L809 C810 R816 S817 | L809-L813 HydrophobicContact CG-CD1 4.31Å; L809-L813 WeakPolarHBondContact O-CG 3.38Å; L809-L813 PolarHBondContact O-N 2.88Å; C810-L813 PolarHBondContact O-N 2.87Å; L813-R816 PolarHBondContact O-N 2.99Å; L813-S817 VanDerWaalsContact O-CB 3.31Å; L813-S817 WeakPolarHBondContact O-CB 3.28Å; L813-S817 PolarHBondContact O-N 2.92Å |
| 814 | E | 92.4 | Very high | 91.1 | Very high | 126 Ų | 126 | 99 Ų | 99 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 174.8 | -76.1 | 173.5 | -179.2 | 0 | 0 | 111.7 | C810 H811 R816 S817 A818 | C810-E814 WeakPolarHBondContact O-CB 3.48Å; C810-E814 WeakPolarHBondContact O-CG 3.46Å; C810-E814 PolarHBondContact O-N 3.2Å; H811-E814 PolarHBondContact O-N 3.24Å; E814-R816 PolarHBondContact O-N 3.5Å; E814-S817 PolarHBondContact O-N 3.33Å; E814-A818 WeakPolarHBondContact O-CB 3.39Å; E814-A818 PolarHBondContact O-N 3.03Å |
| 815 | Q | 91.8 | Very high | 91.1 | Very high | 143 Ų | 143 | 103.4 Ų | 103.4 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61 | -43.8 | 173.8 | -73.9 | 177.1 | 13.7 | 0 | 0 | 111.7 | H811 Q812 A818 G819 | H811-Q815 WeakPolarHBondContact O-CG 3.43Å; H811-Q815 PolarHBondContact O-N 2.95Å; Q812-Q815 PolarHBondContact O-N 2.93Å; Q815-A818 PolarHBondContact O-N 3.4Å; Q815-G819 PolarHBondContact O-N 2.9Å |
| 816 | R | 92.8 | Very high | 91.1 | Very high | 127 Ų | 127 | 99.7 Ų | 99.7 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 176.7 | -170.8 | 173.3 | 175.8 | 166.4 | -1.9 | 111.8 | Q812 L813 E814 G819 Q820 | Q812-R816 WeakPolarHBondContact O-CB 3.25Å; Q812-R816 PolarHBondContact O-N 3.17Å; L813-R816 PolarHBondContact O-N 2.99Å; E814-R816 PolarHBondContact O-N 3.5Å; R816-G819 PolarHBondContact O-N 3.27Å; R816-Q820 WeakPolarHBondContact O-CG 3.48Å; R816-Q820 PolarHBondContact O-N 3.16Å |
| 817 | S | 85.2 | Confident | 91.2 | Very high | 45 Ų | 45 | 98.4 Ų | 98.4 | 32% | 0.315 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | L813 E814 Q820 K821 | L813-S817 VanDerWaalsContact O-CB 3.31Å; L813-S817 WeakPolarHBondContact O-CB 3.28Å; L813-S817 PolarHBondContact O-N 2.92Å; E814-S817 PolarHBondContact O-N 3.33Å; S817-Q820 PolarHBondContact O-N 2.84Å; S817-K821 WeakPolarHBondContact O-CB 3.48Å; S817-K821 VanDerWaalsContact O-CG 3.29Å; S817-K821 WeakPolarHBondContact O-CG 3.47Å; S817-K821 PolarHBondContact O-N 3.08Å |
| 818 | A | 89.4 | Confident | 91.2 | Very high | 59 Ų | 59 | 97.2 Ų | 97.2 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E814 Q815 K821 A822 | E814-A818 WeakPolarHBondContact O-CB 3.39Å; E814-A818 PolarHBondContact O-N 3.03Å; Q815-A818 PolarHBondContact O-N 3.4Å; A818-K821 PolarHBondContact O-N 2.99Å; A818-A822 PolarHBondContact O-N 2.81Å |
| 819 | G | 90.4 | Very high | 91.2 | Very high | 35 Ų | 35 | 97.9 Ų | 97.9 | 36% | 0.361 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q815 R816 A822 Q823 | Q815-G819 PolarHBondContact O-N 2.9Å; R816-G819 PolarHBondContact O-N 3.27Å; G819-A822 PolarHBondContact O-N 2.9Å; G819-Q823 WeakPolarHBondContact O-CG 3.47Å; G819-Q823 PolarHBondContact O-N 3.33Å |
| 820 | Q | 90.4 | Very high | 91.2 | Very high | 99 Ų | 99 | 98.6 Ų | 98.6 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.2 | -72.5 | 177.7 | -47 | 0 | 0 | 112.4 | R816 S817 A822 Q823 L824 | R816-Q820 WeakPolarHBondContact O-CG 3.48Å; R816-Q820 PolarHBondContact O-N 3.16Å; S817-Q820 PolarHBondContact O-N 2.84Å; Q820-A822 VanDerWaalsContact C-N 3.33Å; Q820-A822 PolarHBondContact O-N 2.91Å; Q820-Q823 PolarHBondContact O-N 3.34Å; Q820-L824 WeakPolarHBondContact O-CG 3.48Å; Q820-L824 PolarHBondContact O-N 3Å |
| 821 | K | 91.9 | Very high | 91.3 | Very high | 131 Ų | 131 | 100.6 Ų | 100.6 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -38.2 | 174.2 | -75.1 | 173.2 | -177.4 | 176.7 | 0 | 112 | S817 A818 K825 | S817-K821 WeakPolarHBondContact O-CB 3.48Å; S817-K821 VanDerWaalsContact O-CG 3.29Å; S817-K821 WeakPolarHBondContact O-CG 3.47Å; S817-K821 PolarHBondContact O-N 3.08Å; A818-K821 PolarHBondContact O-N 2.99Å; K821-K825 WeakPolarHBondContact O-CG 3.35Å; K821-K825 PolarHBondContact O-N 3.08Å; K821-K825 VanDerWaalsContact O-N 3.1Å |
| 822 | A | 89.6 | Confident | 91.4 | Very high | 59 Ų | 59 | 99.6 Ų | 99.6 | 49% | 0.488 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A818 G819 Q820 K825 A826 | A818-A822 PolarHBondContact O-N 2.81Å; G819-A822 PolarHBondContact O-N 2.9Å; Q820-A822 VanDerWaalsContact C-N 3.33Å; Q820-A822 PolarHBondContact O-N 2.91Å; A822-K825 PolarHBondContact O-N 3.47Å; A822-A826 PolarHBondContact O-N 3.43Å |
| 823 | Q | 91.7 | Very high | 91.4 | Very high | 132 Ų | 132 | 100.1 Ų | 100.1 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 174.9 | -71.8 | 174.6 | -6.1 | 0 | 0 | 112.4 | G819 Q820 K825 A826 L827 | G819-Q823 WeakPolarHBondContact O-CG 3.47Å; G819-Q823 PolarHBondContact O-N 3.33Å; Q820-Q823 PolarHBondContact O-N 3.34Å; Q823-K825 VanDerWaalsContact C-N 3.35Å; Q823-K825 PolarHBondContact O-N 2.86Å; Q823-A826 PolarHBondContact O-N 3.48Å; Q823-L827 WeakPolarHBondContact O-CG 3.5Å; Q823-L827 PolarHBondContact O-N 2.94Å |
| 824 | L | 90.9 | Very high | 91.6 | Very high | 117 Ų | 117 | 100.4 Ų | 100.4 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -40 | 175.6 | -77.8 | 170.8 | 0 | 0 | 0 | 112.3 | Q820 L827 Q828 | Q820-L824 WeakPolarHBondContact O-CG 3.48Å; Q820-L824 PolarHBondContact O-N 3Å; L824-L827 PolarHBondContact O-N 3.2Å; L824-Q828 WeakPolarHBondContact O-CB 3.49Å; L824-Q828 PolarHBondContact O-N 2.93Å |
| 825 | K | 92.7 | Very high | 91.6 | Very high | 149 Ų | 149 | 96.8 Ų | 96.8 | 65% | 0.648 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 173.8 | -74.7 | -179.2 | 179.4 | -174.4 | 0 | 112 | K821 A822 Q823 L827 Q828 E829 | K821-K825 WeakPolarHBondContact O-CG 3.35Å; K821-K825 PolarHBondContact O-N 3.08Å; K821-K825 VanDerWaalsContact O-N 3.1Å; A822-K825 PolarHBondContact O-N 3.47Å; Q823-K825 VanDerWaalsContact C-N 3.35Å; Q823-K825 PolarHBondContact O-N 2.86Å; K825-L827 PolarHBondContact O-N 2.91Å; K825-Q828 WeakPolarHBondContact O-CB 3.33Å; K825-Q828 PolarHBondContact O-N 3.45Å; K825-E829 WeakPolarHBondContact O-CG 3.29Å; K825-E829 PolarHBondContact O-N 2.97Å |
| 826 | A | 92.4 | Very high | 91.5 | Very high | 43 Ų | 43 | 93 Ų | 93 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A822 Q823 E829 Q830 | A822-A826 PolarHBondContact O-N 3.43Å; Q823-A826 PolarHBondContact O-N 3.48Å; A826-E829 PolarHBondContact O-N 3.33Å; A826-Q830 WeakPolarHBondContact O-CG 3.48Å; A826-Q830 PolarHBondContact O-N 3.18Å; A826-Q830 VanDerWaalsContact O-N 3.09Å |
| 827 | L | 91.9 | Very high | 91.6 | Very high | 98 Ų | 98 | 91.3 Ų | 91.3 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 174.3 | -74.6 | 170.8 | 0 | 0 | 0 | 111.9 | Q823 L824 K825 Q830 V831 | Q823-L827 WeakPolarHBondContact O-CG 3.5Å; Q823-L827 PolarHBondContact O-N 2.94Å; L824-L827 PolarHBondContact O-N 3.2Å; K825-L827 PolarHBondContact O-N 2.91Å; L827-Q830 PolarHBondContact O-N 3.23Å; L827-V831 WeakPolarHBondContact O-CG2 3.47Å; L827-V831 PolarHBondContact O-N 3.33Å |
| 828 | Q | 93.1 | Very high | 91.9 | Very high | 104 Ų | 104 | 94.2 Ų | 94.2 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 174.6 | -175.8 | 61.3 | 47.3 | 0 | 0 | 111.5 | L824 K825 Q830 V831 D832 | L824-Q828 WeakPolarHBondContact O-CB 3.49Å; L824-Q828 PolarHBondContact O-N 2.93Å; K825-Q828 WeakPolarHBondContact O-CB 3.33Å; K825-Q828 PolarHBondContact O-N 3.45Å; Q828-Q830 VanDerWaalsContact C-N 3.3Å; Q828-Q830 PolarHBondContact O-N 3.35Å; Q828-V831 PolarHBondContact O-N 2.89Å; Q828-V831 VanDerWaalsContact O-N 3.17Å; Q828-D832 PolarHBondContact NE2-OD1 3.19Å; Q828-D832 VanDerWaalsContact O-CG 3.3Å; Q828-D832 PolarHBondContact O-N 3.02Å |
| 829 | E | 92.2 | Very high | 92 | Very high | 135 Ų | 135 | 98.1 Ų | 98.1 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60 | -38.8 | 175.6 | -72.6 | 169.7 | -169.5 | 0 | 0 | 111.9 | K825 A826 D832 Q833 | K825-E829 WeakPolarHBondContact O-CG 3.29Å; K825-E829 PolarHBondContact O-N 2.97Å; A826-E829 PolarHBondContact O-N 3.33Å; E829-D832 PolarHBondContact O-N 3.21Å; E829-Q833 WeakPolarHBondContact O-CB 3.46Å; E829-Q833 PolarHBondContact O-N 3Å |
| 830 | Q | 92.8 | Very high | 92.1 | Very high | 109 Ų | 109 | 101.8 Ų | 101.8 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 174.2 | -73.1 | 176 | 10.5 | 0 | 0 | 112.5 | A826 L827 Q828 Q833 L834 | A826-Q830 WeakPolarHBondContact O-CG 3.48Å; A826-Q830 PolarHBondContact O-N 3.18Å; A826-Q830 VanDerWaalsContact O-N 3.09Å; L827-Q830 PolarHBondContact O-N 3.23Å; Q828-Q830 VanDerWaalsContact C-N 3.3Å; Q828-Q830 PolarHBondContact O-N 3.35Å; Q830-Q833 PolarHBondContact O-N 2.96Å; Q830-L834 WeakPolarHBondContact O-CG 3.48Å; Q830-L834 PolarHBondContact O-N 3.21Å |
| 831 | V | 92.3 | Very high | 92.1 | Very high | 85 Ų | 85 | 102.1 Ų | 102.1 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L827 Q828 Q833 L834 S835 | L827-V831 WeakPolarHBondContact O-CG2 3.47Å; L827-V831 PolarHBondContact O-N 3.33Å; Q828-V831 PolarHBondContact O-N 2.89Å; Q828-V831 VanDerWaalsContact O-N 3.17Å; V831-Q833 VanDerWaalsContact C-N 3.34Å; V831-Q833 PolarHBondContact O-N 3.3Å; V831-L834 PolarHBondContact O-N 3.49Å; V831-S835 WeakPolarHBondContact O-CB 3.4Å; V831-S835 PolarHBondContact O-N 3.33Å |
| 832 | D | 93.9 | Very high | 92.1 | Very high | 90 Ų | 90 | 100.1 Ų | 100.1 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 177.1 | -66.9 | -22.8 | 0 | 0 | 0 | 111.1 | Q828 E829 S835 S836 | Q828-D832 PolarHBondContact NE2-OD1 3.19Å; Q828-D832 VanDerWaalsContact O-CG 3.3Å; Q828-D832 PolarHBondContact O-N 3.02Å; E829-D832 PolarHBondContact O-N 3.21Å; D832-S835 PolarHBondContact O-N 3.21Å; D832-S836 PolarHBondContact O-N 3.05Å |
| 833 | Q | 92.4 | Very high | 92.2 | Very high | 115 Ų | 115 | 102.5 Ų | 102.5 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 173.8 | -172.5 | 176.9 | 17.7 | 0 | 0 | 111.6 | E829 Q830 V831 S835 S836 Q837 | E829-Q833 WeakPolarHBondContact O-CB 3.46Å; E829-Q833 PolarHBondContact O-N 3Å; Q830-Q833 PolarHBondContact O-N 2.96Å; V831-Q833 VanDerWaalsContact C-N 3.34Å; V831-Q833 PolarHBondContact O-N 3.3Å; Q833-S835 VanDerWaalsContact C-N 3.33Å; Q833-S835 PolarHBondContact O-N 3.42Å; Q833-S836 PolarHBondContact O-N 3.21Å; Q833-S836 PolarHBondContact O-OG 2.85Å; Q833-Q837 WeakPolarHBondContact O-CG 3.29Å; Q833-Q837 PolarHBondContact O-N 3.18Å |
| 834 | L | 93.5 | Very high | 92.3 | Very high | 108 Ų | 108 | 99.1 Ų | 99.1 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -38.5 | 177.4 | -71.6 | 173.4 | 0 | 0 | 0 | 111.9 | Q830 V831 S836 Q837 L838 | Q830-L834 WeakPolarHBondContact O-CG 3.48Å; Q830-L834 PolarHBondContact O-N 3.21Å; V831-L834 PolarHBondContact O-N 3.49Å; L834-S836 VanDerWaalsContact C-N 3.34Å; L834-S836 PolarHBondContact O-N 2.97Å; L834-Q837 PolarHBondContact O-N 2.9Å; L834-L838 WeakPolarHBondContact O-CB 3.37Å; L834-L838 PolarHBondContact O-N 3.21Å |
| 835 | S | 92.9 | Very high | 92.3 | Very high | 49 Ų | 49 | 101.5 Ų | 101.5 | 34% | 0.343 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 174.4 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | V831 D832 Q833 L838 K839 | V831-S835 WeakPolarHBondContact O-CB 3.4Å; V831-S835 PolarHBondContact O-N 3.33Å; D832-S835 PolarHBondContact O-N 3.21Å; Q833-S835 VanDerWaalsContact C-N 3.33Å; Q833-S835 PolarHBondContact O-N 3.42Å; S835-L838 PolarHBondContact O-N 3.34Å; S835-K839 WeakPolarHBondContact O-CG 3.34Å; S835-K839 PolarHBondContact O-N 3.44Å |
| 836 | S | 90.2 | Very high | 92.2 | Very high | 65 Ų | 65 | 99.5 Ų | 99.5 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 175.8 | 75 | 0 | 0 | 0 | 0 | 112.5 | D832 Q833 L834 K839 Q840 | D832-S836 PolarHBondContact O-N 3.05Å; Q833-S836 PolarHBondContact O-N 3.21Å; Q833-S836 PolarHBondContact O-OG 2.85Å; L834-S836 VanDerWaalsContact C-N 3.34Å; L834-S836 PolarHBondContact O-N 2.97Å; S836-K839 PolarHBondContact O-N 3.31Å; S836-Q840 PolarHBondContact O-N 3.37Å |
| 837 | Q | 93.8 | Very high | 92.2 | Very high | 90 Ų | 90 | 102.2 Ų | 102.2 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 175.7 | -72.9 | 177 | -11.8 | 0 | 0 | 111.7 | Q833 L834 K839 Q840 L841 | Q833-Q837 WeakPolarHBondContact O-CG 3.29Å; Q833-Q837 PolarHBondContact O-N 3.18Å; L834-Q837 PolarHBondContact O-N 2.9Å; Q837-K839 PolarHBondContact O-N 3.19Å; Q837-Q840 PolarHBondContact O-N 3.39Å; Q837-L841 WeakPolarHBondContact O-CG 3.2Å; Q837-L841 PolarHBondContact O-N 2.72Å |
| 838 | L | 91.8 | Very high | 92.2 | Very high | 107 Ų | 107 | 103.6 Ų | 103.6 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62 | -43.3 | 176.3 | -176.1 | 65 | 0 | 0 | 0 | 111.3 | L834 S835 Q840 L841 M842 | L834-L838 WeakPolarHBondContact O-CB 3.37Å; L834-L838 PolarHBondContact O-N 3.21Å; S835-L838 PolarHBondContact O-N 3.34Å; L838-Q840 PolarHBondContact O-N 2.93Å; L838-L841 PolarHBondContact O-N 2.84Å; L838-M842 HydrophobicContact CG-SD 4.28Å; L838-M842 WeakPolarHBondContact O-CB 3.37Å; L838-M842 VanDerWaalsContact O-CG 3.24Å; L838-M842 WeakPolarHBondContact O-CG 3.34Å; L838-M842 PolarHBondContact O-N 3.36Å |
| 839 | K | 92.3 | Very high | 92 | Very high | 141 Ų | 141 | 102.3 Ų | 102.3 | 61% | 0.613 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.1 | -43.2 | 175.3 | -73.6 | 172.2 | -175.7 | 173.6 | 0 | 111.9 | S835 S836 Q837 M842 Q843 | S835-K839 WeakPolarHBondContact O-CG 3.34Å; S835-K839 PolarHBondContact O-N 3.44Å; S836-K839 PolarHBondContact O-N 3.31Å; Q837-K839 PolarHBondContact O-N 3.19Å; K839-M842 PolarHBondContact O-N 3.42Å; K839-Q843 PolarHBondContact O-N 2.82Å |
| 840 | Q | 91.2 | Very high | 91.8 | Very high | 112 Ų | 112 | 101.5 Ų | 101.5 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 176.6 | -174.8 | -177.7 | -16.5 | 0 | 0 | 111.5 | S836 Q837 L838 M842 Q843 E844 | S836-Q840 PolarHBondContact O-N 3.37Å; Q837-Q840 PolarHBondContact O-N 3.39Å; L838-Q840 PolarHBondContact O-N 2.93Å; Q840-M842 VanDerWaalsContact C-N 3.31Å; Q840-M842 PolarHBondContact O-N 2.85Å; Q840-Q843 PolarHBondContact O-N 3.18Å; Q840-Q843 VanDerWaalsContact O-N 3.15Å; Q840-E844 PolarHBondContact NE2-OE1 3.38Å; Q840-E844 WeakPolarHBondContact O-CG 3.27Å; Q840-E844 PolarHBondContact O-N 3.28Å |
| 841 | L | 91.1 | Very high | 91.8 | Very high | 106 Ų | 106 | 99.7 Ų | 99.7 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.4 | -36.2 | 177.9 | -72 | 173.7 | 0 | 0 | 0 | 112.4 | Q837 L838 R845 | Q837-L841 WeakPolarHBondContact O-CG 3.2Å; Q837-L841 PolarHBondContact O-N 2.72Å; L838-L841 PolarHBondContact O-N 2.84Å; L841-R845 VanDerWaalsContact O-CB 3.31Å; L841-R845 WeakPolarHBondContact O-CB 3.35Å; L841-R845 PolarHBondContact O-N 2.91Å |
| 842 | M | 92 | Very high | 91.5 | Very high | 88 Ų | 88 | 99 Ų | 99 | 43% | 0.433 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 173.3 | -75.2 | 179.5 | 69.8 | 0 | 0 | 111.8 | L838 K839 Q840 R845 Q846 | L838-M842 HydrophobicContact CG-SD 4.28Å; L838-M842 WeakPolarHBondContact O-CB 3.37Å; L838-M842 VanDerWaalsContact O-CG 3.24Å; L838-M842 WeakPolarHBondContact O-CG 3.34Å; L838-M842 PolarHBondContact O-N 3.36Å; K839-M842 PolarHBondContact O-N 3.42Å; Q840-M842 VanDerWaalsContact C-N 3.31Å; Q840-M842 PolarHBondContact O-N 2.85Å; M842-R845 PolarHBondContact O-N 3.37Å; M842-Q846 WeakPolarHBondContact O-CG 3.45Å; M842-Q846 PolarHBondContact O-N 2.99Å |
| 843 | Q | 92.2 | Very high | 91.1 | Very high | 109 Ų | 109 | 98.4 Ų | 98.4 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65 | -47.9 | 175.4 | -176.9 | -179 | -16.4 | 0 | 0 | 111.3 | K839 Q840 R845 Q846 E847 | K839-Q843 PolarHBondContact O-N 2.82Å; Q840-Q843 PolarHBondContact O-N 3.18Å; Q840-Q843 VanDerWaalsContact O-N 3.15Å; Q843-R845 VanDerWaalsContact C-N 3.26Å; Q843-R845 PolarHBondContact O-N 2.89Å; Q843-Q846 WeakPolarHBondContact O-CB 3.35Å; Q843-Q846 PolarHBondContact O-N 2.83Å; Q843-E847 HydrophobicContact CG-CG 4.45Å; Q843-E847 WeakPolarHBondContact CG-OE1 3.33Å; Q843-E847 PolarHBondContact NE2-OE1 2.74Å; Q843-E847 WeakPolarHBondContact O-CG 3.38Å; Q843-E847 PolarHBondContact O-N 3.49Å |
| 844 | E | 93.4 | Very high | 90.9 | Very high | 62 Ų | 62 | 96.4 Ų | 96.4 | 29% | 0.29 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.7 | -36.9 | 176.6 | -72.8 | 178.2 | -164.1 | 0 | 0 | 111.9 | Q840 K848 | Q840-E844 PolarHBondContact NE2-OE1 3.38Å; Q840-E844 WeakPolarHBondContact O-CG 3.27Å; Q840-E844 PolarHBondContact O-N 3.28Å; E844-K848 WeakPolarHBondContact O-CB 3.21Å; E844-K848 VanDerWaalsContact O-CG 3.24Å; E844-K848 WeakPolarHBondContact O-CG 3.34Å; E844-K848 PolarHBondContact O-N 3.34Å |
| 845 | R | 90.9 | Very high | 90.7 | Very high | 167 Ų | 167 | 96.2 Ų | 96.2 | 63% | 0.63 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 173.8 | -170 | -170.5 | 77.9 | -174.9 | 4.9 | 111.5 | L841 M842 Q843 K848 E849 | L841-R845 VanDerWaalsContact O-CB 3.31Å; L841-R845 WeakPolarHBondContact O-CB 3.35Å; L841-R845 PolarHBondContact O-N 2.91Å; M842-R845 PolarHBondContact O-N 3.37Å; Q843-R845 VanDerWaalsContact C-N 3.26Å; Q843-R845 PolarHBondContact O-N 2.89Å; R845-K848 PolarHBondContact O-N 2.82Å; R845-E849 WeakPolarHBondContact O-CB 3.47Å; R845-E849 PolarHBondContact O-N 2.87Å |
| 846 | Q | 90.4 | Very high | 90.3 | Very high | 107 Ų | 107 | 98.7 Ų | 98.7 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.9 | -74.4 | 177.4 | -11.8 | 0 | 0 | 111.7 | M842 Q843 K848 E849 H850 | M842-Q846 WeakPolarHBondContact O-CG 3.45Å; M842-Q846 PolarHBondContact O-N 2.99Å; Q843-Q846 WeakPolarHBondContact O-CB 3.35Å; Q843-Q846 PolarHBondContact O-N 2.83Å; Q846-K848 PolarHBondContact O-N 2.81Å; Q846-E849 PolarHBondContact O-N 3.28Å; Q846-H850 PolarHBondContact O-CD2 2.93Å; Q846-H850 PolarHBondContact O-N 3.05Å |
| 847 | E | 92.4 | Very high | 90 | Very high | 100 Ų | 100 | 102 Ų | 102 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 175.5 | -71.6 | 172.9 | -173.5 | 0 | 0 | 111.2 | Q843 E849 H850 T851 | Q843-E847 HydrophobicContact CG-CG 4.45Å; Q843-E847 WeakPolarHBondContact CG-OE1 3.33Å; Q843-E847 PolarHBondContact NE2-OE1 2.74Å; Q843-E847 WeakPolarHBondContact O-CG 3.38Å; Q843-E847 PolarHBondContact O-N 3.49Å; E847-E849 PolarHBondContact O-N 3.31Å; E847-H850 PolarHBondContact O-N 3.39Å; E847-T851 WeakPolarHBondContact O-CG2 3.32Å; E847-T851 PolarHBondContact O-N 3.44Å; E847-T851 PolarHBondContact O-OG1 2.98Å |
| 848 | K | 91.2 | Very high | 89.8 | Confident | 126 Ų | 126 | 102.4 Ų | 102.4 | 55% | 0.548 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 175.7 | -75 | 172.6 | -175.4 | 167.9 | 0 | 112 | E844 R845 Q846 H850 T851 I852 | E844-K848 WeakPolarHBondContact O-CB 3.21Å; E844-K848 VanDerWaalsContact O-CG 3.24Å; E844-K848 WeakPolarHBondContact O-CG 3.34Å; E844-K848 PolarHBondContact O-N 3.34Å; R845-K848 PolarHBondContact O-N 2.82Å; Q846-K848 PolarHBondContact O-N 2.81Å; K848-H850 VanDerWaalsContact C-N 3.33Å; K848-H850 PolarHBondContact O-N 3.26Å; K848-T851 WeakPolarHBondContact CA-OG1 3.4Å; K848-T851 PolarHBondContact O-N 3.3Å; K848-T851 PolarHBondContact O-OG1 3.45Å; K848-I852 WeakPolarHBondContact O-CG1 3.46Å; K848-I852 PolarHBondContact O-N 2.94Å |
| 849 | E | 90 | Very high | 89.6 | Confident | 78 Ų | 78 | 104.3 Ų | 104.3 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 175.7 | -176.6 | 56.9 | -146.5 | 0 | 0 | 111.5 | R845 Q846 E847 I852 Q853 | R845-E849 WeakPolarHBondContact O-CB 3.47Å; R845-E849 PolarHBondContact O-N 2.87Å; Q846-E849 PolarHBondContact O-N 3.28Å; E847-E849 PolarHBondContact O-N 3.31Å; E849-I852 PolarHBondContact O-N 3.17Å; E849-Q853 VanDerWaalsContact O-CG 3.28Å; E849-Q853 WeakPolarHBondContact O-CG 3.35Å; E849-Q853 PolarHBondContact O-N 3.07Å; E849-Q853 PolarHBondContact OE1-NE2 3.08Å |
| 850 | H | 88.2 | Confident | 89.3 | Confident | 117 Ų | 117 | 100.9 Ų | 100.9 | 54% | 0.542 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 173.8 | -74.1 | -53.5 | 0 | 0 | 0 | 112.3 | Q846 E847 K848 I852 Q853 T854 | Q846-H850 PolarHBondContact O-CD2 2.93Å; Q846-H850 PolarHBondContact O-N 3.05Å; E847-H850 PolarHBondContact O-N 3.39Å; K848-H850 VanDerWaalsContact C-N 3.33Å; K848-H850 PolarHBondContact O-N 3.26Å; H850-I852 VanDerWaalsContact C-N 3.34Å; H850-I852 PolarHBondContact O-N 3.49Å; H850-Q853 PolarHBondContact O-N 3.34Å; H850-T854 WeakPolarHBondContact O-CG2 3.28Å; H850-T854 PolarHBondContact O-N 2.85Å; H850-T854 PolarHBondContact O-OG1 2.81Å |
| 851 | T | 91.1 | Very high | 89.2 | Confident | 72 Ų | 72 | 103.6 Ų | 103.6 | 44% | 0.442 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 177.2 | 61 | 0 | 0 | 0 | 0 | 112.9 | E847 K848 T854 L855 | E847-T851 WeakPolarHBondContact O-CG2 3.32Å; E847-T851 PolarHBondContact O-N 3.44Å; E847-T851 PolarHBondContact O-OG1 2.98Å; K848-T851 WeakPolarHBondContact CA-OG1 3.4Å; K848-T851 PolarHBondContact O-N 3.3Å; K848-T851 PolarHBondContact O-OG1 3.45Å; T851-T854 WeakPolarHBondContact CA-OG1 3.38Å; T851-T854 PolarHBondContact O-N 3.03Å; T851-T854 PolarHBondContact O-OG1 3.12Å; T851-L855 WeakPolarHBondContact O-CB 3.49Å; T851-L855 VanDerWaalsContact O-CG 3.24Å; T851-L855 WeakPolarHBondContact O-CG 3.48Å; T851-L855 PolarHBondContact O-N 2.89Å |
| 852 | I | 87.1 | Confident | 89.1 | Confident | 70 Ų | 70 | 104.4 Ų | 104.4 | 36% | 0.359 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 176.1 | -71 | 168.1 | 0 | 0 | 0 | 109.8 | K848 E849 H850 L855 R856 | K848-I852 WeakPolarHBondContact O-CG1 3.46Å; K848-I852 PolarHBondContact O-N 2.94Å; E849-I852 PolarHBondContact O-N 3.17Å; H850-I852 VanDerWaalsContact C-N 3.34Å; H850-I852 PolarHBondContact O-N 3.49Å; I852-L855 PolarHBondContact O-N 3.44Å; I852-R856 HydrophobicContact CG2-CG 4.4Å; I852-R856 WeakPolarHBondContact O-CB 3.28Å; I852-R856 VanDerWaalsContact O-CG 3.22Å; I852-R856 WeakPolarHBondContact O-CG 3.44Å; I852-R856 PolarHBondContact O-N 3.11Å |
| 853 | Q | 85.3 | Confident | 88.8 | Confident | 78 Ų | 78 | 103.1 Ų | 103.1 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.8 | -73.2 | 173.7 | 10.1 | 0 | 0 | 112.1 | E849 H850 R856 M857 | E849-Q853 VanDerWaalsContact O-CG 3.28Å; E849-Q853 WeakPolarHBondContact O-CG 3.35Å; E849-Q853 PolarHBondContact O-N 3.07Å; E849-Q853 PolarHBondContact OE1-NE2 3.08Å; H850-Q853 PolarHBondContact O-N 3.34Å; Q853-R856 PolarHBondContact O-N 3.28Å; Q853-M857 WeakPolarHBondContact O-CG 3.23Å; Q853-M857 PolarHBondContact O-N 2.87Å |
| 854 | T | 88.1 | Confident | 88.6 | Confident | 72 Ų | 72 | 101.5 Ų | 101.5 | 44% | 0.442 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 176.1 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | H850 T851 R856 M857 E858 | H850-T854 WeakPolarHBondContact O-CG2 3.28Å; H850-T854 PolarHBondContact O-N 2.85Å; H850-T854 PolarHBondContact O-OG1 2.81Å; T851-T854 WeakPolarHBondContact CA-OG1 3.38Å; T851-T854 PolarHBondContact O-N 3.03Å; T851-T854 PolarHBondContact O-OG1 3.12Å; T854-R856 VanDerWaalsContact C-N 3.3Å; T854-R856 PolarHBondContact O-N 3.04Å; T854-M857 PolarHBondContact O-N 3.5Å; T854-M857 VanDerWaalsContact O-N 3.11Å; T854-E858 WeakPolarHBondContact O-CG 3.41Å; T854-E858 PolarHBondContact O-N 3.19Å |
| 855 | L | 89.2 | Confident | 88.5 | Confident | 104 Ų | 104 | 101.5 Ų | 101.5 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -36.3 | 176.7 | -71.5 | 171.8 | 0 | 0 | 0 | 112.4 | T851 I852 E858 R859 | T851-L855 WeakPolarHBondContact O-CB 3.49Å; T851-L855 VanDerWaalsContact O-CG 3.24Å; T851-L855 WeakPolarHBondContact O-CG 3.48Å; T851-L855 PolarHBondContact O-N 2.89Å; I852-L855 PolarHBondContact O-N 3.44Å; L855-E858 PolarHBondContact O-N 3.37Å; L855-R859 WeakPolarHBondContact O-CB 3.47Å; L855-R859 PolarHBondContact O-N 3.14Å |
| 856 | R | 84 | Confident | 88.5 | Confident | 102 Ų | 102 | 95.9 Ų | 95.9 | 39% | 0.385 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 173.8 | -77.8 | 172.2 | 174.5 | 167.2 | -0.6 | 111.6 | I852 Q853 T854 K860 | I852-R856 HydrophobicContact CG2-CG 4.4Å; I852-R856 WeakPolarHBondContact O-CB 3.28Å; I852-R856 VanDerWaalsContact O-CG 3.22Å; I852-R856 WeakPolarHBondContact O-CG 3.44Å; I852-R856 PolarHBondContact O-N 3.11Å; Q853-R856 PolarHBondContact O-N 3.28Å; T854-R856 VanDerWaalsContact C-N 3.3Å; T854-R856 PolarHBondContact O-N 3.04Å; R856-K860 WeakPolarHBondContact O-CG 3.44Å; R856-K860 PolarHBondContact O-N 3.16Å; R856-K860 VanDerWaalsContact O-N 3.08Å |
| 857 | M | 84.4 | Confident | 88.5 | Confident | 134 Ų | 134 | 91.4 Ų | 91.4 | 66% | 0.66 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.3 | -41.7 | 175.7 | -68.2 | -178 | -173.5 | 0 | 0 | 112 | Q853 T854 K860 R861 | Q853-M857 WeakPolarHBondContact O-CG 3.23Å; Q853-M857 PolarHBondContact O-N 2.87Å; T854-M857 PolarHBondContact O-N 3.5Å; T854-M857 VanDerWaalsContact O-N 3.11Å; M857-K860 WeakPolarHBondContact O-CB 3.07Å; M857-K860 PolarHBondContact O-N 3.39Å; M857-R861 PolarHBondContact O-N 3.43Å |
| 858 | E | 88.9 | Confident | 88.4 | Confident | 98 Ų | 98 | 90 Ų | 90 | 46% | 0.458 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 175.8 | -73.2 | 172 | 179.4 | 0 | 0 | 111.5 | T854 L855 K860 R861 H862 | T854-E858 WeakPolarHBondContact O-CG 3.41Å; T854-E858 PolarHBondContact O-N 3.19Å; L855-E858 PolarHBondContact O-N 3.37Å; E858-K860 VanDerWaalsContact C-N 3.29Å; E858-K860 PolarHBondContact O-N 2.98Å; E858-R861 WeakPolarHBondContact O-CB 3.27Å; E858-R861 PolarHBondContact O-N 3.49Å; E858-R861 VanDerWaalsContact O-N 3.16Å; E858-H862 PolarHBondContact O-CD2 3.01Å; E858-H862 PolarHBondContact O-N 3.3Å |
| 859 | R | 88.9 | Confident | 88.5 | Confident | 147 Ų | 147 | 89.8 Ų | 89.8 | 56% | 0.555 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -56.2 | -44.4 | 174 | -179.8 | -174.5 | 172.4 | -146.5 | -2.5 | 111.5 | L855 H862 L863 | L855-R859 WeakPolarHBondContact O-CB 3.47Å; L855-R859 PolarHBondContact O-N 3.14Å; R859-H862 PolarHBondContact O-N 3.01Å; R859-L863 HydrophobicContact CG-CD1 4.14Å; R859-L863 WeakPolarHBondContact O-CG 3.32Å; R859-L863 PolarHBondContact O-N 2.78Å |
| 860 | K | 85.9 | Confident | 88.6 | Confident | 70 Ų | 70 | 91.3 Ų | 91.3 | 30% | 0.304 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.9 | -49.5 | 175.9 | -79.1 | -178.4 | 177 | -168.4 | 0 | 111.2 | R856 M857 E858 H862 L863 E864 Q928 | R856-K860 WeakPolarHBondContact O-CG 3.44Å; R856-K860 PolarHBondContact O-N 3.16Å; R856-K860 VanDerWaalsContact O-N 3.08Å; M857-K860 WeakPolarHBondContact O-CB 3.07Å; M857-K860 PolarHBondContact O-N 3.39Å; E858-K860 VanDerWaalsContact C-N 3.29Å; E858-K860 PolarHBondContact O-N 2.98Å; K860-H862 PolarHBondContact O-N 3.43Å; K860-L863 PolarHBondContact O-N 2.92Å; K860-E864 WeakPolarHBondContact O-CG 3.36Å; K860-E864 PolarHBondContact O-N 3.15Å; K860-Q928 VanDerWaalsContact CG-OE1 3.31Å |
| 861 | R | 89 | Confident | 88.9 | Confident | 168 Ų | 168 | 87.9 Ų | 87.9 | 63% | 0.634 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -57.8 | -47 | 177.2 | -177.8 | -178.7 | 176.8 | 174.2 | 1.3 | 112.2 | M857 E858 L863 E864 D865 | M857-R861 PolarHBondContact O-N 3.43Å; E858-R861 WeakPolarHBondContact O-CB 3.27Å; E858-R861 PolarHBondContact O-N 3.49Å; E858-R861 VanDerWaalsContact O-N 3.16Å; R861-L863 VanDerWaalsContact C-N 3.33Å; R861-L863 PolarHBondContact O-N 2.88Å; R861-E864 PolarHBondContact O-N 3.33Å; R861-D865 IonicContact NE-OD2 3.11Å; R861-D865 WeakPolarHBondContact O-CB 3.38Å; R861-D865 PolarHBondContact O-N 2.83Å |
| 862 | H | 88.8 | Confident | 89 | Confident | 124 Ų | 124 | 90 Ų | 90 | 57% | 0.574 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 178.7 | -68.9 | -50.5 | 0 | 0 | 0 | 112.7 | E858 R859 K860 A866 | E858-H862 PolarHBondContact O-CD2 3.01Å; E858-H862 PolarHBondContact O-N 3.3Å; R859-H862 PolarHBondContact O-N 3.01Å; K860-H862 PolarHBondContact O-N 3.43Å; H862-A866 VanDerWaalsContact O-CB 3.25Å; H862-A866 WeakPolarHBondContact O-CB 3.35Å; H862-A866 PolarHBondContact O-N 3.32Å |
| 863 | L | 86.5 | Confident | 89.4 | Confident | 61 Ų | 61 | 90 Ų | 90 | 32% | 0.319 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 175.1 | -72.7 | 171.1 | 0 | 0 | 0 | 111.7 | R859 K860 R861 M867 I924 | R859-L863 HydrophobicContact CG-CD1 4.14Å; R859-L863 WeakPolarHBondContact O-CG 3.32Å; R859-L863 PolarHBondContact O-N 2.78Å; K860-L863 PolarHBondContact O-N 2.92Å; R861-L863 VanDerWaalsContact C-N 3.33Å; R861-L863 PolarHBondContact O-N 2.88Å; L863-M867 VanDerWaalsContact O-CG 3.25Å; L863-M867 WeakPolarHBondContact O-CG 3.5Å; L863-M867 PolarHBondContact O-N 2.87Å; L863-I924 HydrophobicContact CD1-CG2 4.5Å |
| 864 | E | 86.7 | Confident | 89.9 | Confident | 74 Ų | 74 | 87.4 Ų | 87.4 | 35% | 0.346 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 174.9 | -74.5 | 178.4 | -167.9 | 0 | 0 | 112.1 | K860 R861 M867 K868 | K860-E864 WeakPolarHBondContact O-CG 3.36Å; K860-E864 PolarHBondContact O-N 3.15Å; R861-E864 PolarHBondContact O-N 3.33Å; E864-M867 PolarHBondContact O-N 3.38Å; E864-K868 WeakPolarHBondContact O-CG 3.48Å; E864-K868 PolarHBondContact O-N 3.46Å |
| 865 | D | 91.1 | Very high | 90.2 | Very high | 63 Ų | 63 | 88.1 Ų | 88.1 | 34% | 0.337 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66 | -39 | -179.7 | -68.1 | -17.9 | 0 | 0 | 0 | 111.1 | R861 M867 K868 L869 | R861-D865 IonicContact NE-OD2 3.11Å; R861-D865 WeakPolarHBondContact O-CB 3.38Å; R861-D865 PolarHBondContact O-N 2.83Å; D865-M867 VanDerWaalsContact C-N 3.34Å; D865-M867 PolarHBondContact O-N 3.33Å; D865-K868 PolarHBondContact O-N 2.92Å; D865-K868 IonicContact OD1-NZ 3.34Å; D865-K868 PolarHBondContact OD1-NZ 2.92Å; D865-L869 WeakPolarHBondContact O-CB 3.47Å; D865-L869 PolarHBondContact O-N 3.37Å |
| 866 | A | 92 | Very high | 90.4 | Very high | 48 Ų | 48 | 85.7 Ų | 85.7 | 40% | 0.397 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | H862 K870 | H862-A866 VanDerWaalsContact O-CB 3.25Å; H862-A866 WeakPolarHBondContact O-CB 3.35Å; H862-A866 PolarHBondContact O-N 3.32Å; A866-K870 WeakPolarHBondContact O-CG 3.48Å; A866-K870 PolarHBondContact O-N 3.33Å |
| 867 | M | 89 | Confident | 90.9 | Very high | 14 Ų | 14 | 82.1 Ų | 82.1 | 7% | 0.069 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -73 | -37.9 | 176.1 | -68.6 | -58.1 | -72.4 | 0 | 0 | 112 | L863 E864 D865 K870 E871 V917 Q920 R921 | L863-M867 VanDerWaalsContact O-CG 3.25Å; L863-M867 WeakPolarHBondContact O-CG 3.5Å; L863-M867 PolarHBondContact O-N 2.87Å; E864-M867 PolarHBondContact O-N 3.38Å; D865-M867 VanDerWaalsContact C-N 3.34Å; D865-M867 PolarHBondContact O-N 3.33Å; M867-K870 PolarHBondContact O-N 2.95Å; M867-K870 HydrophobicContact SD-CD 4.21Å; M867-E871 PolarHBondContact O-N 3.3Å; M867-V917 HydrophobicContact CE-CG1 3.69Å; M867-V917 WeakPolarHBondContact CE-O 3.47Å; M867-Q920 HydrophobicContact CE-CB 4.1Å; M867-R921 HydrophobicContact CB-CG 4.21Å; M867-R921 HydrophobicContact CE-CB 3.77Å |
| 868 | K | 90.5 | Very high | 91.4 | Very high | 71 Ų | 71 | 76.3 Ų | 76.3 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 172.4 | -71.2 | 171.1 | -164.2 | 155.9 | 0 | 111.4 | E864 D865 K870 E871 E872 | E864-K868 WeakPolarHBondContact O-CG 3.48Å; E864-K868 PolarHBondContact O-N 3.46Å; D865-K868 PolarHBondContact O-N 2.92Å; D865-K868 IonicContact OD1-NZ 3.34Å; D865-K868 PolarHBondContact OD1-NZ 2.92Å; K868-K870 VanDerWaalsContact C-N 3.26Å; K868-K870 PolarHBondContact O-N 3.34Å; K868-E871 WeakPolarHBondContact O-CA 3.41Å; K868-E871 WeakPolarHBondContact O-CB 3.21Å; K868-E871 PolarHBondContact O-N 2.89Å; K868-E872 WeakPolarHBondContact O-CB 3.43Å; K868-E872 WeakPolarHBondContact O-CG 3.49Å; K868-E872 PolarHBondContact O-N 2.84Å |
| 869 | L | 94 | Very high | 91.6 | Very high | 121 Ų | 121 | 73.4 Ų | 73.4 | 63% | 0.634 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.5 | -35.4 | 178.6 | -148.4 | 85.8 | 0 | 0 | 0 | 112 | D865 S873 | D865-L869 WeakPolarHBondContact O-CB 3.47Å; D865-L869 PolarHBondContact O-N 3.37Å; L869-S873 WeakPolarHBondContact O-CB 3.46Å; L869-S873 PolarHBondContact O-N 3.43Å; L869-S873 PolarHBondContact O-OG 3.31Å |
| 870 | K | 92.9 | Very high | 91.8 | Very high | 109 Ų | 109 | 72.1 Ų | 72.1 | 47% | 0.474 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 172.4 | -76.6 | 177.6 | -178.7 | 174.3 | 0 | 112.2 | A866 M867 K868 S873 L874 V917 | A866-K870 WeakPolarHBondContact O-CG 3.48Å; A866-K870 PolarHBondContact O-N 3.33Å; M867-K870 PolarHBondContact O-N 2.95Å; M867-K870 HydrophobicContact SD-CD 4.21Å; K868-K870 VanDerWaalsContact C-N 3.26Å; K868-K870 PolarHBondContact O-N 3.34Å; K870-S873 WeakPolarHBondContact CA-OG 3.33Å; K870-S873 PolarHBondContact O-OG 2.97Å; K870-L874 WeakPolarHBondContact O-CB 3.46Å; K870-L874 VanDerWaalsContact O-CG 3.28Å; K870-L874 WeakPolarHBondContact O-CG 3.26Å; K870-L874 PolarHBondContact O-N 2.98Å; K870-L874 VanDerWaalsContact O-N 3.12Å; K870-V917 HydrophobicContact CB-CG1 4.15Å |
| 871 | E | 93.3 | Very high | 92.2 | Very high | 46 Ų | 46 | 71.1 Ų | 71.1 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.8 | -49.4 | 176.4 | -167.8 | 177.2 | 174.6 | 0 | 0 | 111 | M867 K868 S873 L874 L875 L914 R921 | M867-E871 PolarHBondContact O-N 3.3Å; K868-E871 WeakPolarHBondContact O-CA 3.41Å; K868-E871 WeakPolarHBondContact O-CB 3.21Å; K868-E871 PolarHBondContact O-N 2.89Å; E871-S873 PolarHBondContact O-N 2.92Å; E871-L874 PolarHBondContact O-N 3.37Å; E871-L875 HydrophobicContact CG-CD1 4.26Å; E871-L875 WeakPolarHBondContact O-CB 3.28Å; E871-L875 WeakPolarHBondContact O-CG 3.31Å; E871-L875 PolarHBondContact O-N 3.5Å; E871-L914 HydrophobicContact CG-CD1 3.79Å; E871-R921 IonicContact OE2-NH1 3.81Å; E871-R921 PolarHBondContact OE2-NH1 3.02Å |
| 872 | E | 93.8 | Very high | 92.4 | Very high | 116 Ų | 116 | 65.9 Ų | 65.9 | 54% | 0.542 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 178.3 | -72.1 | 171.9 | -173.8 | 0 | 0 | 112.3 | K868 L875 A876 | K868-E872 WeakPolarHBondContact O-CB 3.43Å; K868-E872 WeakPolarHBondContact O-CG 3.49Å; K868-E872 PolarHBondContact O-N 2.84Å; E872-L875 PolarHBondContact O-N 3.44Å; E872-A876 WeakPolarHBondContact O-CB 3.4Å; E872-A876 PolarHBondContact O-N 2.82Å |
| 873 | S | 94.9 | Very high | 92.6 | Very high | 69 Ų | 69 | 62.6 Ų | 62.6 | 48% | 0.483 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.2 | -36.6 | 176.6 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | L869 K870 E871 A877 | L869-S873 WeakPolarHBondContact O-CB 3.46Å; L869-S873 PolarHBondContact O-N 3.43Å; L869-S873 PolarHBondContact O-OG 3.31Å; K870-S873 WeakPolarHBondContact CA-OG 3.33Å; K870-S873 PolarHBondContact O-OG 2.97Å; E871-S873 PolarHBondContact O-N 2.92Å; S873-A877 WeakPolarHBondContact O-CB 3.46Å; S873-A877 PolarHBondContact O-N 2.87Å |
| 874 | L | 95.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 64.3 Ų | 64.3 | 13% | 0.126 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 173 | -74.4 | 173.7 | 0 | 0 | 0 | 111.8 | K870 E871 A877 I878 L910 R913 L914 V917 | K870-L874 WeakPolarHBondContact O-CB 3.46Å; K870-L874 VanDerWaalsContact O-CG 3.28Å; K870-L874 WeakPolarHBondContact O-CG 3.26Å; K870-L874 PolarHBondContact O-N 2.98Å; K870-L874 VanDerWaalsContact O-N 3.12Å; E871-L874 PolarHBondContact O-N 3.37Å; L874-A877 PolarHBondContact O-N 3.36Å; L874-I878 WeakPolarHBondContact O-CB 3.28Å; L874-I878 WeakPolarHBondContact O-CD1 3.37Å; L874-I878 WeakPolarHBondContact O-CG1 3.33Å; L874-I878 PolarHBondContact O-N 3.22Å; L874-L910 HydrophobicContact CD2-CD2 4.1Å; L874-R913 HydrophobicContact CD1-CB 4.49Å; L874-R913 HydrophobicContact CD1-CG 4.15Å; L874-R913 HydrophobicContact CD2-CB 4.36Å; L874-R913 HydrophobicContact CD2-CG 4.16Å; L874-L914 HydrophobicContact CB-CD1 4.06Å; L874-L914 HydrophobicContact CD1-CB 4.26Å; L874-L914 HydrophobicContact CD1-CD1 4.25Å; L874-V917 HydrophobicContact CD1-CB 4.27Å; L874-V917 HydrophobicContact CD1-CG2 3.83Å |
| 875 | L | 94.4 | Very high | 92.8 | Very high | 87 Ų | 87 | 61.3 Ų | 61.3 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 175.6 | -74.2 | 171.9 | 0 | 0 | 0 | 111.8 | E871 E872 I878 G879 L914 | E871-L875 HydrophobicContact CG-CD1 4.26Å; E871-L875 WeakPolarHBondContact O-CB 3.28Å; E871-L875 WeakPolarHBondContact O-CG 3.31Å; E871-L875 PolarHBondContact O-N 3.5Å; E872-L875 PolarHBondContact O-N 3.44Å; L875-I878 PolarHBondContact O-N 3.05Å; L875-G879 PolarHBondContact O-N 2.77Å; L875-L914 HydrophobicContact CD2-CD2 3.73Å; L875-L914 HydrophobicContact CG-CD1 4.5Å; L875-L914 HydrophobicContact CG-CD2 4.32Å |
| 876 | A | 94.3 | Very high | 92.7 | Very high | 54 Ų | 54 | 61 Ų | 61 | 45% | 0.446 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E872 I878 G879 E880 | E872-A876 WeakPolarHBondContact O-CB 3.4Å; E872-A876 PolarHBondContact O-N 2.82Å; A876-I878 VanDerWaalsContact C-N 3.32Å; A876-I878 PolarHBondContact O-N 3.4Å; A876-G879 PolarHBondContact O-N 3.47Å; A876-G879 VanDerWaalsContact O-N 3.15Å; A876-E880 WeakPolarHBondContact O-CG 3.18Å; A876-E880 PolarHBondContact O-N 3.4Å |
| 877 | A | 95.1 | Very high | 92.4 | Very high | 27 Ų | 27 | 64 Ų | 64 | 22% | 0.223 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S873 L874 E880 K881 L910 | S873-A877 WeakPolarHBondContact O-CB 3.46Å; S873-A877 PolarHBondContact O-N 2.87Å; L874-A877 PolarHBondContact O-N 3.36Å; A877-E880 PolarHBondContact O-N 2.94Å; A877-K881 VanDerWaalsContact O-CG 3.3Å; A877-K881 WeakPolarHBondContact O-CG 3.41Å; A877-K881 PolarHBondContact O-N 3.41Å; A877-K881 VanDerWaalsContact O-N 3.09Å; A877-L910 HydrophobicContact CB-CD1 3.95Å |
| 878 | I | 94.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 64.9 Ų | 64.9 | 6% | 0.062 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 173.9 | -70.7 | 161.7 | 0 | 0 | 0 | 110.5 | L874 L875 A876 E880 K881 D882 K907 L910 L911 L914 | L874-I878 WeakPolarHBondContact O-CB 3.28Å; L874-I878 WeakPolarHBondContact O-CD1 3.37Å; L874-I878 WeakPolarHBondContact O-CG1 3.33Å; L874-I878 PolarHBondContact O-N 3.22Å; L875-I878 PolarHBondContact O-N 3.05Å; A876-I878 VanDerWaalsContact C-N 3.32Å; A876-I878 PolarHBondContact O-N 3.4Å; I878-E880 VanDerWaalsContact C-N 3.31Å; I878-E880 PolarHBondContact O-N 3.3Å; I878-K881 PolarHBondContact O-N 3.5Å; I878-K881 VanDerWaalsContact O-N 3.11Å; I878-D882 PolarHBondContact O-N 3.24Å; I878-K907 HydrophobicContact CG2-CG 4.33Å; I878-L910 HydrophobicContact CD1-CB 4.1Å; I878-L910 HydrophobicContact CG1-CB 3.58Å; I878-L910 HydrophobicContact CG1-CD1 4.15Å; I878-L911 HydrophobicContact CD1-CD2 3.82Å; I878-L911 HydrophobicContact CD1-CG 4.12Å; I878-L914 HydrophobicContact CD1-CB 4.48Å; I878-L914 HydrophobicContact CD1-CD2 4Å |
| 879 | G | 92.6 | Very high | 91.9 | Very high | 37 Ų | 37 | 67.1 Ų | 67.1 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L875 A876 D882 A883 | L875-G879 PolarHBondContact O-N 2.77Å; A876-G879 PolarHBondContact O-N 3.47Å; A876-G879 VanDerWaalsContact O-N 3.15Å; G879-D882 PolarHBondContact O-N 3.13Å; G879-A883 WeakPolarHBondContact O-CB 3.32Å; G879-A883 PolarHBondContact O-N 2.92Å |
| 880 | E | 93.4 | Very high | 91.3 | Very high | 119 Ų | 119 | 65.4 Ų | 65.4 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.7 | -45.6 | 172 | -74.4 | 176.1 | -176.5 | 0 | 0 | 111.6 | A876 A877 I878 D882 A883 H884 | A876-E880 WeakPolarHBondContact O-CG 3.18Å; A876-E880 PolarHBondContact O-N 3.4Å; A877-E880 PolarHBondContact O-N 2.94Å; I878-E880 VanDerWaalsContact C-N 3.31Å; I878-E880 PolarHBondContact O-N 3.3Å; E880-D882 VanDerWaalsContact C-N 3.3Å; E880-D882 PolarHBondContact O-N 2.98Å; E880-A883 PolarHBondContact O-N 3.42Å; E880-H884 PolarHBondContact O-CD2 3.09Å; E880-H884 PolarHBondContact O-N 3.11Å |
| 881 | K | 93.4 | Very high | 90.5 | Very high | 49 Ų | 49 | 63 Ų | 63 | 21% | 0.213 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 175.3 | -61.8 | -62.2 | 167.1 | -179.6 | 0 | 111.6 | A877 I878 H884 I885 L903 K907 L910 | A877-K881 VanDerWaalsContact O-CG 3.3Å; A877-K881 WeakPolarHBondContact O-CG 3.41Å; A877-K881 PolarHBondContact O-N 3.41Å; A877-K881 VanDerWaalsContact O-N 3.09Å; I878-K881 PolarHBondContact O-N 3.5Å; I878-K881 VanDerWaalsContact O-N 3.11Å; K881-H884 PolarHBondContact O-N 2.79Å; K881-I885 WeakPolarHBondContact O-CB 3.24Å; K881-I885 WeakPolarHBondContact O-CD1 3.45Å; K881-I885 VanDerWaalsContact O-CG1 3.23Å; K881-I885 WeakPolarHBondContact O-CG1 3.36Å; K881-I885 PolarHBondContact O-N 3.32Å; K881-L903 HydrophobicContact CD-CD2 3.72Å; K881-K907 HydrophobicContact CB-CB 4.36Å; K881-L910 HydrophobicContact CG-CD1 4.04Å |
| 882 | D | 94 | Very high | 89.3 | Confident | 59 Ų | 59 | 70.8 Ų | 70.8 | 32% | 0.316 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 176.5 | -79.6 | -29.1 | 0 | 0 | 0 | 112.5 | I878 G879 E880 I885 A886 K907 | I878-D882 PolarHBondContact O-N 3.24Å; G879-D882 PolarHBondContact O-N 3.13Å; E880-D882 VanDerWaalsContact C-N 3.3Å; E880-D882 PolarHBondContact O-N 2.98Å; D882-I885 PolarHBondContact O-N 3.41Å; D882-A886 WeakPolarHBondContact O-CB 3.45Å; D882-A886 PolarHBondContact O-N 3.33Å; D882-K907 VanDerWaalsContact OD1-CD 3.27Å; D882-K907 WeakPolarHBondContact OD1-CD 3.34Å; D882-K907 WeakPolarHBondContact OD1-CE 3.21Å; D882-K907 IonicContact OD1-NZ 2.81Å; D882-K907 PolarHBondContact OD1-NZ 2.87Å; D882-K907 IonicContact OD2-NZ 2.72Å; D882-K907 PolarHBondContact OD2-NZ 3.01Å |
| 883 | A | 92.5 | Very high | 88.2 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G879 E880 A886 L887 | G879-A883 WeakPolarHBondContact O-CB 3.32Å; G879-A883 PolarHBondContact O-N 2.92Å; E880-A883 PolarHBondContact O-N 3.42Å; A883-A886 PolarHBondContact O-N 2.85Å; A883-L887 WeakPolarHBondContact O-CB 3.3Å; A883-L887 VanDerWaalsContact O-CG 3.32Å; A883-L887 WeakPolarHBondContact O-CG 3.39Å; A883-L887 PolarHBondContact O-N 3.37Å |
| 884 | H | 88.3 | Confident | 86.8 | Confident | 96 Ų | 96 | 73.3 Ų | 73.3 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 175.6 | -70.5 | -53.6 | 0 | 0 | 0 | 112.7 | E880 K881 L887 L888 L903 | E880-H884 PolarHBondContact O-CD2 3.09Å; E880-H884 PolarHBondContact O-N 3.11Å; K881-H884 PolarHBondContact O-N 2.79Å; H884-L887 PolarHBondContact O-N 2.99Å; H884-L888 WeakPolarHBondContact O-CB 3.49Å; H884-L888 WeakPolarHBondContact O-CG 3.49Å; H884-L888 PolarHBondContact O-N 3.34Å; H884-L903 HydrophobicContact CB-CD1 3.73Å |
| 885 | I | 89.3 | Confident | 85.6 | Confident | 11 Ų | 11 | 79.9 Ų | 79.9 | 6% | 0.056 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 175.1 | -71.3 | 163.1 | 0 | 0 | 0 | 109.7 | K881 D882 L887 L888 E889 V900 L903 Q904 K907 | K881-I885 WeakPolarHBondContact O-CB 3.24Å; K881-I885 WeakPolarHBondContact O-CD1 3.45Å; K881-I885 VanDerWaalsContact O-CG1 3.23Å; K881-I885 WeakPolarHBondContact O-CG1 3.36Å; K881-I885 PolarHBondContact O-N 3.32Å; D882-I885 PolarHBondContact O-N 3.41Å; I885-L887 VanDerWaalsContact C-N 3.32Å; I885-L887 PolarHBondContact O-N 3.14Å; I885-L888 PolarHBondContact O-N 2.8Å; I885-L888 VanDerWaalsContact O-N 3.14Å; I885-E889 VanDerWaalsContact CG2-CD 3.46Å; I885-E889 HydrophobicContact CG2-CG 4.02Å; I885-E889 VanDerWaalsContact CG2-OE1 3.25Å; I885-E889 WeakPolarHBondContact CG2-OE1 3.49Å; I885-E889 WeakPolarHBondContact O-CB 3.4Å; I885-E889 VanDerWaalsContact O-CG 3.31Å; I885-E889 WeakPolarHBondContact O-CG 3.15Å; I885-E889 PolarHBondContact O-N 2.9Å; I885-V900 HydrophobicContact CG2-CG1 4.13Å; I885-L903 HydrophobicContact CD1-CB 4.05Å; I885-L903 HydrophobicContact CG1-CB 3.68Å; I885-L903 HydrophobicContact CG1-CD1 4.18Å; I885-Q904 HydrophobicContact CD1-CG 3.82Å; I885-Q904 HydrophobicContact CG1-CG 4.5Å; I885-K907 HydrophobicContact CD1-CD 4.36Å |
| 886 | A | 88.7 | Confident | 84.7 | Confident | 56 Ų | 56 | 76.1 Ų | 76.1 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D882 A883 S890 | D882-A886 WeakPolarHBondContact O-CB 3.45Å; D882-A886 PolarHBondContact O-N 3.33Å; A883-A886 PolarHBondContact O-N 2.85Å; A886-S890 WeakPolarHBondContact O-CB 3.48Å; A886-S890 PolarHBondContact O-N 3.04Å |
| 887 | L | 85.7 | Confident | 84.1 | Confident | 111 Ų | 111 | 77.5 Ų | 77.5 | 58% | 0.581 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.7 | -41.3 | 175.5 | -73.9 | 171.9 | 0 | 0 | 0 | 112.3 | A883 H884 I885 S890 S891 | A883-L887 WeakPolarHBondContact O-CB 3.3Å; A883-L887 VanDerWaalsContact O-CG 3.32Å; A883-L887 WeakPolarHBondContact O-CG 3.39Å; A883-L887 PolarHBondContact O-N 3.37Å; H884-L887 PolarHBondContact O-N 2.99Å; I885-L887 VanDerWaalsContact C-N 3.32Å; I885-L887 PolarHBondContact O-N 3.14Å; L887-S890 PolarHBondContact O-N 2.99Å; L887-S890 PolarHBondContact O-OG 2.63Å; L887-S891 PolarHBondContact O-N 3.47Å; L887-S891 PolarHBondContact O-OG 3.12Å |
| 888 | L | 85 | Confident | 83.5 | Confident | 33 Ų | 33 | 83.3 Ų | 83.3 | 17% | 0.173 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -72.7 | -36.6 | 178.4 | -75.5 | 169.2 | 0 | 0 | 0 | 112.8 | H884 I885 S890 S891 S896 E899 V900 L903 | H884-L888 WeakPolarHBondContact O-CB 3.49Å; H884-L888 WeakPolarHBondContact O-CG 3.49Å; H884-L888 PolarHBondContact O-N 3.34Å; I885-L888 PolarHBondContact O-N 2.8Å; I885-L888 VanDerWaalsContact O-N 3.14Å; L888-S890 VanDerWaalsContact C-N 3.29Å; L888-S890 PolarHBondContact O-N 2.77Å; L888-S891 WeakPolarHBondContact O-CB 3.32Å; L888-S891 PolarHBondContact O-N 2.82Å; L888-S891 VanDerWaalsContact O-N 3.08Å; L888-S896 WeakPolarHBondContact O-CB 3.08Å; L888-S896 PolarHBondContact O-OG 3.14Å; L888-E899 HydrophobicContact CD1-CB 3.94Å; L888-E899 WeakPolarHBondContact CD2-OE2 3.33Å; L888-V900 HydrophobicContact CB-CG2 3.43Å; L888-V900 VanDerWaalsContact CB-CG2 3.43Å; L888-V900 HydrophobicContact CD1-CG2 4.16Å; L888-V900 HydrophobicContact CG-CG2 4.46Å; L888-L903 HydrophobicContact CD1-CD1 3.47Å; L888-L903 VanDerWaalsContact CD1-CD1 3.47Å |
| 889 | E | 84.1 | Confident | 83.1 | Confident | 119 Ų | 119 | 87.6 Ų | 87.6 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.4 | -32 | 174.3 | -74 | 177.5 | 170.3 | 0 | 0 | 111.7 | I885 S891 V900 | I885-E889 VanDerWaalsContact CG2-CD 3.46Å; I885-E889 HydrophobicContact CG2-CG 4.02Å; I885-E889 VanDerWaalsContact CG2-OE1 3.25Å; I885-E889 WeakPolarHBondContact CG2-OE1 3.49Å; I885-E889 WeakPolarHBondContact O-CB 3.4Å; I885-E889 VanDerWaalsContact O-CG 3.31Å; I885-E889 WeakPolarHBondContact O-CG 3.15Å; I885-E889 PolarHBondContact O-N 2.9Å; E889-S891 VanDerWaalsContact C-N 3.26Å; E889-S891 PolarHBondContact O-N 3.14Å; E889-V900 HydrophobicContact CG-CG1 4.28Å; E889-V900 HydrophobicContact CG-CG2 4.06Å |
| 890 | S | 82.2 | Confident | 82.9 | Confident | 84 Ų | 84 | 86.3 Ų | 86.3 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -72.1 | -20.9 | 171.8 | 77.7 | 0 | 0 | 0 | 0 | 113.4 | A886 L887 L888 | A886-S890 WeakPolarHBondContact O-CB 3.48Å; A886-S890 PolarHBondContact O-N 3.04Å; L887-S890 PolarHBondContact O-N 2.99Å; L887-S890 PolarHBondContact O-OG 2.63Å; L888-S890 VanDerWaalsContact C-N 3.29Å; L888-S890 PolarHBondContact O-N 2.77Å |
| 891 | S | 75.7 | Confident | 82.7 | Confident | 60 Ų | 60 | 84.8 Ų | 84.8 | 42% | 0.42 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -88.7 | 108.2 | 178.9 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | L887 L888 E889 S893 S896 | L887-S891 PolarHBondContact O-N 3.47Å; L887-S891 PolarHBondContact O-OG 3.12Å; L888-S891 WeakPolarHBondContact O-CB 3.32Å; L888-S891 PolarHBondContact O-N 2.82Å; L888-S891 VanDerWaalsContact O-N 3.08Å; E889-S891 VanDerWaalsContact C-N 3.26Å; E889-S891 PolarHBondContact O-N 3.14Å; S891-S893 PolarHBondContact O-N 3.02Å; S891-S896 PolarHBondContact O-OG 3.42Å |
| 892 | Q | 67.9 | Low | 82.5 | Confident | 208 Ų | 208 | 87.1 Ų | 87.1 | 97% | 0.972 | 46% | 0.459 | S | S | * | . | trans | -71.4 | 56.4 | -177.2 | -64.5 | 178 | -3.3 | 0 | 0 | 113.8 | ||||
| 893 | S | 71.3 | Confident | 82.4 | Confident | 56 Ų | 56 | 85.4 Ų | 85.4 | 39% | 0.392 | 45% | 0.449 | S | S | . | . | trans | -115.3 | 138.8 | -178.1 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | S891 K895 S896 | S891-S893 PolarHBondContact O-N 3.02Å; S893-K895 PolarHBondContact O-N 2.86Å; S893-K895 PolarHBondContact OG-N 3.25Å; S893-K895 VanDerWaalsContact OG-N 3.14Å; S893-S896 PolarHBondContact O-N 2.94Å; S893-S896 VanDerWaalsContact O-N 3.15Å; S893-S896 PolarHBondContact O-OG 3.21Å | ||
| 894 | Q | 65.8 | Low | 82.4 | Confident | 183 Ų | 183 | 86.3 Ų | 86.3 | 86% | 0.855 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.7 | -30.1 | 171.1 | -101 | 177.2 | -68 | 0 | 0 | 112.7 | S896 V897 | Q894-S896 VanDerWaalsContact C-N 3.28Å; Q894-S896 PolarHBondContact O-N 3.05Å; Q894-V897 PolarHBondContact O-N 3.39Å |
| 895 | K | 69.2 | Low | 82.6 | Confident | 161 Ų | 161 | 88 Ų | 88 | 70% | 0.7 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70.1 | -25 | 176.3 | -65.6 | -174.9 | 177.9 | -178.3 | 0 | 112.4 | S893 V897 E899 | S893-K895 PolarHBondContact O-N 2.86Å; S893-K895 PolarHBondContact OG-N 3.25Å; S893-K895 VanDerWaalsContact OG-N 3.14Å; K895-V897 VanDerWaalsContact C-N 3.26Å; K895-V897 PolarHBondContact O-N 3.37Å; K895-E899 WeakPolarHBondContact O-CG 3.17Å; K895-E899 PolarHBondContact O-N 3.36Å |
| 896 | S | 76.9 | Confident | 82.8 | Confident | 9 Ų | 9 | 90.3 Ų | 90.3 | 6% | 0.063 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -70.5 | -23.7 | 177.6 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | L888 S891 S893 Q894 V900 | L888-S896 WeakPolarHBondContact O-CB 3.08Å; L888-S896 PolarHBondContact O-OG 3.14Å; S891-S896 PolarHBondContact O-OG 3.42Å; S893-S896 PolarHBondContact O-N 2.94Å; S893-S896 VanDerWaalsContact O-N 3.15Å; S893-S896 PolarHBondContact O-OG 3.21Å; Q894-S896 VanDerWaalsContact C-N 3.28Å; Q894-S896 PolarHBondContact O-N 3.05Å; S896-V900 VanDerWaalsContact O-CB 3.24Å; S896-V900 WeakPolarHBondContact O-CB 3.5Å; S896-V900 WeakPolarHBondContact O-CG2 3.23Å; S896-V900 PolarHBondContact O-N 2.64Å |
| 897 | V | 81 | Confident | 83 | Confident | 82 Ų | 82 | 90.1 Ų | 90.1 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.7 | -49.3 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | Q894 K895 E899 V900 E901 | Q894-V897 PolarHBondContact O-N 3.39Å; K895-V897 VanDerWaalsContact C-N 3.26Å; K895-V897 PolarHBondContact O-N 3.37Å; V897-E899 VanDerWaalsContact C-N 3.33Å; V897-E899 PolarHBondContact O-N 2.89Å; V897-V900 PolarHBondContact O-N 2.9Å; V897-E901 WeakPolarHBondContact O-CG 3.49Å; V897-E901 PolarHBondContact O-N 2.89Å |
| 898 | E | 82.7 | Confident | 83.4 | Confident | 149 Ų | 149 | 89 Ų | 89 | 70% | 0.696 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.7 | -38.3 | 179.2 | -67 | 179.5 | -178.6 | 0 | 0 | 111.8 | E901 H902 | E898-E901 PolarHBondContact O-N 2.88Å; E898-H902 PolarHBondContact O-N 3.46Å |
| 899 | E | 86 | Confident | 83.9 | Confident | 102 Ų | 102 | 93.6 Ų | 93.6 | 48% | 0.477 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 175.5 | -70.2 | 176.5 | -169.9 | 0 | 0 | 112 | L888 K895 V897 H902 L903 | L888-E899 HydrophobicContact CD1-CB 3.94Å; L888-E899 WeakPolarHBondContact CD2-OE2 3.33Å; K895-E899 WeakPolarHBondContact O-CG 3.17Å; K895-E899 PolarHBondContact O-N 3.36Å; V897-E899 VanDerWaalsContact C-N 3.33Å; V897-E899 PolarHBondContact O-N 2.89Å; E899-H902 PolarHBondContact O-N 3Å; E899-L903 WeakPolarHBondContact O-CG 3.35Å; E899-L903 PolarHBondContact O-N 3.44Å |
| 900 | V | 87.7 | Confident | 84.5 | Confident | 11 Ų | 11 | 89.9 Ų | 89.9 | 7% | 0.067 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 173.4 | 165.3 | 0 | 0 | 0 | 0 | 110.7 | I885 L888 E889 S896 V897 H902 L903 Q904 | I885-V900 HydrophobicContact CG2-CG1 4.13Å; L888-V900 HydrophobicContact CB-CG2 3.43Å; L888-V900 VanDerWaalsContact CB-CG2 3.43Å; L888-V900 HydrophobicContact CD1-CG2 4.16Å; L888-V900 HydrophobicContact CG-CG2 4.46Å; E889-V900 HydrophobicContact CG-CG1 4.28Å; E889-V900 HydrophobicContact CG-CG2 4.06Å; S896-V900 VanDerWaalsContact O-CB 3.24Å; S896-V900 WeakPolarHBondContact O-CB 3.5Å; S896-V900 WeakPolarHBondContact O-CG2 3.23Å; S896-V900 PolarHBondContact O-N 2.64Å; V897-V900 PolarHBondContact O-N 2.9Å; V900-H902 VanDerWaalsContact C-N 3.27Å; V900-H902 PolarHBondContact O-N 3.36Å; V900-L903 PolarHBondContact O-N 3.46Å; V900-Q904 HydrophobicContact CG1-CG 4.26Å; V900-Q904 WeakPolarHBondContact O-CB 3.27Å; V900-Q904 VanDerWaalsContact O-CG 3.28Å; V900-Q904 WeakPolarHBondContact O-CG 3.48Å; V900-Q904 PolarHBondContact O-N 3.2Å |
| 901 | E | 88.4 | Confident | 85.1 | Confident | 87 Ų | 87 | 88.8 Ų | 88.8 | 41% | 0.407 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60 | -38.8 | 176.3 | -73.4 | -171.8 | -179.2 | 0 | 0 | 111.9 | V897 E898 R905 | V897-E901 WeakPolarHBondContact O-CG 3.49Å; V897-E901 PolarHBondContact O-N 2.89Å; E898-E901 PolarHBondContact O-N 2.88Å; E901-R905 VanDerWaalsContact O-CG 3.31Å; E901-R905 WeakPolarHBondContact O-CG 3.4Å; E901-R905 PolarHBondContact O-N 3.45Å; E901-R905 PolarHBondContact O-NH1 3.24Å; E901-R905 IonicContact OE2-CZ 3.46Å; E901-R905 IonicContact OE2-NH1 3.88Å; E901-R905 IonicContact OE2-NH2 2.93Å; E901-R905 PolarHBondContact OE2-NH2 3.3Å |
| 902 | H | 90.3 | Very high | 86 | Confident | 98 Ų | 98 | 92.7 Ų | 92.7 | 45% | 0.454 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 176.2 | 177.7 | -98.9 | 0 | 0 | 0 | 112 | E898 E899 V900 R905 Q906 | E898-H902 PolarHBondContact O-N 3.46Å; E899-H902 PolarHBondContact O-N 3Å; V900-H902 VanDerWaalsContact C-N 3.27Å; V900-H902 PolarHBondContact O-N 3.36Å; H902-R905 PolarHBondContact O-N 2.85Å; H902-Q906 PolarHBondContact CE1-NE2 3.31Å; H902-Q906 WeakPolarHBondContact O-CG 3.44Å; H902-Q906 PolarHBondContact O-N 3.2Å |
| 903 | L | 91.4 | Very high | 87.2 | Confident | 22 Ų | 22 | 88 Ų | 88 | 12% | 0.115 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 175.6 | -71.4 | 171.4 | 0 | 0 | 0 | 112.3 | K881 H884 I885 L888 E899 V900 Q906 K907 | K881-L903 HydrophobicContact CD-CD2 3.72Å; H884-L903 HydrophobicContact CB-CD1 3.73Å; I885-L903 HydrophobicContact CD1-CB 4.05Å; I885-L903 HydrophobicContact CG1-CB 3.68Å; I885-L903 HydrophobicContact CG1-CD1 4.18Å; L888-L903 HydrophobicContact CD1-CD1 3.47Å; L888-L903 VanDerWaalsContact CD1-CD1 3.47Å; E899-L903 WeakPolarHBondContact O-CG 3.35Å; E899-L903 PolarHBondContact O-N 3.44Å; V900-L903 PolarHBondContact O-N 3.46Å; L903-Q906 PolarHBondContact O-N 2.93Å; L903-K907 WeakPolarHBondContact O-CB 3.49Å; L903-K907 PolarHBondContact O-N 3.39Å |
| 904 | Q | 92.6 | Very high | 88.3 | Confident | 75 Ų | 75 | 86.3 Ų | 86.3 | 35% | 0.35 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 173.3 | -75.2 | 169.6 | -8.5 | 0 | 0 | 111.2 | I885 V900 Q906 K907 D908 | I885-Q904 HydrophobicContact CD1-CG 3.82Å; I885-Q904 HydrophobicContact CG1-CG 4.5Å; V900-Q904 HydrophobicContact CG1-CG 4.26Å; V900-Q904 WeakPolarHBondContact O-CB 3.27Å; V900-Q904 VanDerWaalsContact O-CG 3.28Å; V900-Q904 WeakPolarHBondContact O-CG 3.48Å; V900-Q904 PolarHBondContact O-N 3.2Å; Q904-Q906 VanDerWaalsContact C-N 3.27Å; Q904-Q906 PolarHBondContact O-N 2.8Å; Q904-K907 WeakPolarHBondContact O-CB 3.37Å; Q904-K907 PolarHBondContact O-N 3.25Å; Q904-D908 PolarHBondContact O-N 3.05Å |
| 905 | R | 92.7 | Very high | 89.7 | Confident | 131 Ų | 131 | 85 Ų | 85 | 49% | 0.494 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 174.1 | -69.5 | 177.2 | -160.1 | 105 | 0.5 | 112.5 | E901 H902 K909 | E901-R905 VanDerWaalsContact O-CG 3.31Å; E901-R905 WeakPolarHBondContact O-CG 3.4Å; E901-R905 PolarHBondContact O-N 3.45Å; E901-R905 PolarHBondContact O-NH1 3.24Å; E901-R905 IonicContact OE2-CZ 3.46Å; E901-R905 IonicContact OE2-NH1 3.88Å; E901-R905 IonicContact OE2-NH2 2.93Å; E901-R905 PolarHBondContact OE2-NH2 3.3Å; H902-R905 PolarHBondContact O-N 2.85Å; R905-K909 WeakPolarHBondContact O-CG 3.31Å; R905-K909 PolarHBondContact O-N 3.45Å |
| 906 | Q | 93 | Very high | 90.8 | Very high | 59 Ų | 59 | 81.7 Ų | 81.7 | 28% | 0.276 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.1 | -43.9 | 174.7 | -71.1 | -171 | -10.7 | 0 | 0 | 111.9 | H902 L903 Q904 D908 K909 L910 | H902-Q906 PolarHBondContact CE1-NE2 3.31Å; H902-Q906 WeakPolarHBondContact O-CG 3.44Å; H902-Q906 PolarHBondContact O-N 3.2Å; L903-Q906 PolarHBondContact O-N 2.93Å; Q904-Q906 VanDerWaalsContact C-N 3.27Å; Q904-Q906 PolarHBondContact O-N 2.8Å; Q906-D908 VanDerWaalsContact C-N 3.33Å; Q906-D908 PolarHBondContact O-N 2.94Å; Q906-K909 WeakPolarHBondContact O-CB 3.4Å; Q906-K909 PolarHBondContact O-N 3.15Å; Q906-K909 VanDerWaalsContact O-N 3.15Å; Q906-L910 PolarHBondContact O-N 3.46Å |
| 907 | K | 93.8 | Very high | 91.5 | Very high | 52 Ų | 52 | 81.5 Ų | 81.5 | 23% | 0.226 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.8 | -46 | 173.5 | 176.1 | -172.8 | 175.7 | 174 | 0 | 111.3 | I878 K881 D882 I885 L903 Q904 K909 L910 L911 | I878-K907 HydrophobicContact CG2-CG 4.33Å; K881-K907 HydrophobicContact CB-CB 4.36Å; D882-K907 VanDerWaalsContact OD1-CD 3.27Å; D882-K907 WeakPolarHBondContact OD1-CD 3.34Å; D882-K907 WeakPolarHBondContact OD1-CE 3.21Å; D882-K907 IonicContact OD1-NZ 2.81Å; D882-K907 PolarHBondContact OD1-NZ 2.87Å; D882-K907 IonicContact OD2-NZ 2.72Å; D882-K907 PolarHBondContact OD2-NZ 3.01Å; I885-K907 HydrophobicContact CD1-CD 4.36Å; L903-K907 WeakPolarHBondContact O-CB 3.49Å; L903-K907 PolarHBondContact O-N 3.39Å; Q904-K907 WeakPolarHBondContact O-CB 3.37Å; Q904-K907 PolarHBondContact O-N 3.25Å; K907-K909 VanDerWaalsContact C-N 3.25Å; K907-K909 PolarHBondContact O-N 3.36Å; K907-L910 CarbonylContact O-C 3.34Å; K907-L910 WeakPolarHBondContact O-CB 3.46Å; K907-L910 PolarHBondContact O-N 3.15Å; K907-L911 HydrophobicContact CG-CD1 4.07Å; K907-L911 HydrophobicContact CG-CG 4.43Å; K907-L911 PolarHBondContact O-N 2.77Å |
| 908 | D | 94.7 | Very high | 92 | Very high | 89 Ų | 89 | 80.1 Ų | 80.1 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.5 | -31.4 | 178.3 | -71.6 | -20.4 | 0 | 0 | 0 | 112.7 | Q904 Q906 R912 | Q904-D908 PolarHBondContact O-N 3.05Å; Q906-D908 VanDerWaalsContact C-N 3.33Å; Q906-D908 PolarHBondContact O-N 2.94Å; D908-R912 WeakPolarHBondContact O-CG 3.43Å; D908-R912 PolarHBondContact O-N 3.2Å; D908-R912 VanDerWaalsContact O-N 3.12Å; D908-R912 PolarHBondContact O-NE 3.41Å |
| 909 | K | 95.3 | Very high | 92.4 | Very high | 129 Ų | 129 | 75.3 Ų | 75.3 | 56% | 0.561 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.8 | -44.2 | 170.6 | -72.1 | 170.8 | -178.1 | -177.7 | 0 | 111.2 | R905 Q906 K907 R912 R913 | R905-K909 WeakPolarHBondContact O-CG 3.31Å; R905-K909 PolarHBondContact O-N 3.45Å; Q906-K909 WeakPolarHBondContact O-CB 3.4Å; Q906-K909 PolarHBondContact O-N 3.15Å; Q906-K909 VanDerWaalsContact O-N 3.15Å; K907-K909 VanDerWaalsContact C-N 3.25Å; K907-K909 PolarHBondContact O-N 3.36Å; K909-R912 VanDerWaalsContact CG-NH2 3.35Å; K909-R912 PolarHBondContact O-N 3.37Å; K909-R913 PolarHBondContact O-N 2.72Å |
| 910 | L | 95.5 | Very high | 92.5 | Very high | 41 Ų | 41 | 74.4 Ų | 74.4 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 177.1 | -67.6 | 174.3 | 0 | 0 | 0 | 112.1 | L874 A877 I878 K881 Q906 K907 R912 R913 L914 | L874-L910 HydrophobicContact CD2-CD2 4.1Å; A877-L910 HydrophobicContact CB-CD1 3.95Å; I878-L910 HydrophobicContact CD1-CB 4.1Å; I878-L910 HydrophobicContact CG1-CB 3.58Å; I878-L910 HydrophobicContact CG1-CD1 4.15Å; K881-L910 HydrophobicContact CG-CD1 4.04Å; Q906-L910 PolarHBondContact O-N 3.46Å; K907-L910 CarbonylContact O-C 3.34Å; K907-L910 WeakPolarHBondContact O-CB 3.46Å; K907-L910 PolarHBondContact O-N 3.15Å; L910-R912 VanDerWaalsContact C-N 3.35Å; L910-R912 PolarHBondContact O-N 2.96Å; L910-R913 CarbonylContact O-C 3.57Å; L910-R913 WeakPolarHBondContact O-CB 3.35Å; L910-R913 PolarHBondContact O-N 3.06Å; L910-R913 VanDerWaalsContact O-N 3.14Å; L910-L914 WeakPolarHBondContact O-CB 3.27Å; L910-L914 PolarHBondContact O-N 2.98Å |
| 911 | L | 94.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 78.2 Ų | 78.2 | 31% | 0.314 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 174.9 | -78 | 170.8 | 0 | 0 | 0 | 112.2 | I878 K907 R913 L914 K915 | I878-L911 HydrophobicContact CD1-CD2 3.82Å; I878-L911 HydrophobicContact CD1-CG 4.12Å; K907-L911 HydrophobicContact CG-CD1 4.07Å; K907-L911 HydrophobicContact CG-CG 4.43Å; K907-L911 PolarHBondContact O-N 2.77Å; L911-R913 VanDerWaalsContact C-N 3.35Å; L911-L914 PolarHBondContact O-N 3.28Å; L911-K915 WeakPolarHBondContact O-CG 3.29Å; L911-K915 PolarHBondContact O-N 3.33Å |
| 912 | R | 94.7 | Very high | 92.4 | Very high | 142 Ų | 142 | 79 Ų | 79 | 54% | 0.536 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 171.5 | -79.5 | -176.3 | -72.5 | 147.1 | -12.7 | 111.3 | D908 K909 L910 L914 K915 E916 | D908-R912 WeakPolarHBondContact O-CG 3.43Å; D908-R912 PolarHBondContact O-N 3.2Å; D908-R912 VanDerWaalsContact O-N 3.12Å; D908-R912 PolarHBondContact O-NE 3.41Å; K909-R912 VanDerWaalsContact CG-NH2 3.35Å; K909-R912 PolarHBondContact O-N 3.37Å; L910-R912 VanDerWaalsContact C-N 3.35Å; L910-R912 PolarHBondContact O-N 2.96Å; R912-L914 VanDerWaalsContact C-N 3.33Å; R912-L914 PolarHBondContact O-N 3.47Å; R912-K915 PolarHBondContact O-N 3.4Å; R912-E916 WeakPolarHBondContact O-CG 3.3Å; R912-E916 PolarHBondContact O-N 2.79Å |
| 913 | R | 93.8 | Very high | 92.2 | Very high | 110 Ų | 110 | 78.6 Ų | 78.6 | 42% | 0.415 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 177.5 | -166.9 | 62.8 | -177.4 | 136.3 | 5.2 | 112.6 | L874 K909 L910 L911 E916 V917 | L874-R913 HydrophobicContact CD1-CB 4.49Å; L874-R913 HydrophobicContact CD1-CG 4.15Å; L874-R913 HydrophobicContact CD2-CB 4.36Å; L874-R913 HydrophobicContact CD2-CG 4.16Å; K909-R913 PolarHBondContact O-N 2.72Å; L910-R913 CarbonylContact O-C 3.57Å; L910-R913 WeakPolarHBondContact O-CB 3.35Å; L910-R913 PolarHBondContact O-N 3.06Å; L910-R913 VanDerWaalsContact O-N 3.14Å; L911-R913 VanDerWaalsContact C-N 3.35Å; R913-E916 WeakPolarHBondContact CD-OE2 3.06Å; R913-E916 IonicContact CZ-OE2 3.44Å; R913-E916 IonicContact NE-OE2 3.73Å; R913-E916 IonicContact NH1-OE2 3.88Å; R913-E916 PolarHBondContact NH1-OE2 3.15Å; R913-E916 WeakPolarHBondContact O-CB 3.36Å; R913-E916 PolarHBondContact O-N 3.26Å; R913-V917 WeakPolarHBondContact O-CG2 3.45Å; R913-V917 PolarHBondContact O-N 3.38Å |
| 914 | L | 94.9 | Very high | 91.7 | Very high | 20 Ų | 20 | 80.2 Ų | 80.2 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 174.3 | -178.7 | 64.5 | 0 | 0 | 0 | 111.6 | E871 L874 L875 I878 L910 L911 R912 E916 V917 N918 | E871-L914 HydrophobicContact CG-CD1 3.79Å; L874-L914 HydrophobicContact CB-CD1 4.06Å; L874-L914 HydrophobicContact CD1-CB 4.26Å; L874-L914 HydrophobicContact CD1-CD1 4.25Å; L875-L914 HydrophobicContact CD2-CD2 3.73Å; L875-L914 HydrophobicContact CG-CD1 4.5Å; L875-L914 HydrophobicContact CG-CD2 4.32Å; I878-L914 HydrophobicContact CD1-CB 4.48Å; I878-L914 HydrophobicContact CD1-CD2 4Å; L910-L914 WeakPolarHBondContact O-CB 3.27Å; L910-L914 PolarHBondContact O-N 2.98Å; L911-L914 PolarHBondContact O-N 3.28Å; R912-L914 VanDerWaalsContact C-N 3.33Å; R912-L914 PolarHBondContact O-N 3.47Å; L914-E916 VanDerWaalsContact C-N 3.34Å; L914-E916 PolarHBondContact O-N 3.14Å; L914-V917 PolarHBondContact O-N 2.96Å; L914-N918 PolarHBondContact O-N 3.07Å |
| 915 | K | 94 | Very high | 91.1 | Very high | 156 Ų | 156 | 82.8 Ų | 82.8 | 68% | 0.678 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.3 | -41.4 | 174.5 | -72.5 | 178 | 179.7 | -177.8 | 0 | 112.1 | L911 R912 N918 A919 | L911-K915 WeakPolarHBondContact O-CG 3.29Å; L911-K915 PolarHBondContact O-N 3.33Å; R912-K915 PolarHBondContact O-N 3.4Å; K915-N918 PolarHBondContact O-N 3.26Å; K915-A919 WeakPolarHBondContact O-CB 3.44Å; K915-A919 PolarHBondContact O-N 3.2Å |
| 916 | E | 93.3 | Very high | 90.5 | Very high | 91 Ų | 91 | 80.6 Ų | 80.6 | 43% | 0.425 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 175.3 | -70.6 | 166.4 | -163.8 | 0 | 0 | 112.1 | R912 R913 L914 A919 Q920 | R912-E916 WeakPolarHBondContact O-CG 3.3Å; R912-E916 PolarHBondContact O-N 2.79Å; R913-E916 WeakPolarHBondContact CD-OE2 3.06Å; R913-E916 IonicContact CZ-OE2 3.44Å; R913-E916 IonicContact NE-OE2 3.73Å; R913-E916 IonicContact NH1-OE2 3.88Å; R913-E916 PolarHBondContact NH1-OE2 3.15Å; R913-E916 WeakPolarHBondContact O-CB 3.36Å; R913-E916 PolarHBondContact O-N 3.26Å; L914-E916 VanDerWaalsContact C-N 3.34Å; L914-E916 PolarHBondContact O-N 3.14Å; E916-A919 PolarHBondContact O-N 3.33Å; E916-Q920 WeakPolarHBondContact O-CB 3.31Å; E916-Q920 VanDerWaalsContact O-CG 3.28Å; E916-Q920 WeakPolarHBondContact O-CG 3.37Å; E916-Q920 PolarHBondContact O-N 3.3Å |
| 917 | V | 91.7 | Very high | 89.7 | Confident | 5 Ų | 5 | 83.1 Ų | 83.1 | 3% | 0.03 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 177 | 169 | 0 | 0 | 0 | 0 | 111 | M867 K870 L874 R913 L914 Q920 R921 | M867-V917 HydrophobicContact CE-CG1 3.69Å; M867-V917 WeakPolarHBondContact CE-O 3.47Å; K870-V917 HydrophobicContact CB-CG1 4.15Å; L874-V917 HydrophobicContact CD1-CB 4.27Å; L874-V917 HydrophobicContact CD1-CG2 3.83Å; R913-V917 WeakPolarHBondContact O-CG2 3.45Å; R913-V917 PolarHBondContact O-N 3.38Å; L914-V917 PolarHBondContact O-N 2.96Å; V917-Q920 PolarHBondContact O-N 2.92Å; V917-R921 PolarHBondContact O-N 2.91Å |
| 918 | N | 91.2 | Very high | 88.7 | Confident | 53 Ų | 53 | 81.8 Ų | 81.8 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 176.2 | -76.8 | -5 | 0 | 0 | 0 | 112.4 | L914 K915 R921 I922 | L914-N918 PolarHBondContact O-N 3.07Å; K915-N918 PolarHBondContact O-N 3.26Å; N918-R921 PolarHBondContact O-N 2.98Å; N918-I922 WeakPolarHBondContact O-CG1 3.39Å; N918-I922 PolarHBondContact O-N 2.82Å |
| 919 | A | 91 | Very high | 87.5 | Confident | 49 Ų | 49 | 79 Ų | 79 | 41% | 0.405 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K915 E916 R921 I922 N923 | K915-A919 WeakPolarHBondContact O-CB 3.44Å; K915-A919 PolarHBondContact O-N 3.2Å; E916-A919 PolarHBondContact O-N 3.33Å; A919-R921 VanDerWaalsContact C-N 3.32Å; A919-R921 PolarHBondContact O-N 3.27Å; A919-I922 PolarHBondContact O-N 3.33Å; A919-N923 PolarHBondContact O-N 3.19Å |
| 920 | Q | 87.9 | Confident | 86.2 | Confident | 82 Ų | 82 | 77.3 Ų | 77.3 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 175.5 | -74.2 | 177.3 | 2.5 | 0 | 0 | 112.1 | M867 E916 V917 I922 N923 I924 | M867-Q920 HydrophobicContact CE-CB 4.1Å; E916-Q920 WeakPolarHBondContact O-CB 3.31Å; E916-Q920 VanDerWaalsContact O-CG 3.28Å; E916-Q920 WeakPolarHBondContact O-CG 3.37Å; E916-Q920 PolarHBondContact O-N 3.3Å; V917-Q920 PolarHBondContact O-N 2.92Å; Q920-I922 VanDerWaalsContact C-N 3.33Å; Q920-I922 PolarHBondContact O-N 3.02Å; Q920-N923 PolarHBondContact O-N 2.86Å; Q920-I924 VanDerWaalsContact O-CG1 3.29Å; Q920-I924 WeakPolarHBondContact O-CG1 3.4Å; Q920-I924 PolarHBondContact O-N 2.91Å |
| 921 | R | 89.1 | Confident | 84.7 | Confident | 92 Ų | 92 | 79.9 Ų | 79.9 | 35% | 0.347 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 177.1 | -174.4 | 178 | 173.8 | -168.7 | -5.7 | 111.8 | M867 E871 V917 N918 A919 F925 | M867-R921 HydrophobicContact CB-CG 4.21Å; M867-R921 HydrophobicContact CE-CB 3.77Å; E871-R921 IonicContact OE2-NH1 3.81Å; E871-R921 PolarHBondContact OE2-NH1 3.02Å; V917-R921 PolarHBondContact O-N 2.91Å; N918-R921 PolarHBondContact O-N 2.98Å; A919-R921 VanDerWaalsContact C-N 3.32Å; A919-R921 PolarHBondContact O-N 3.27Å; R921-F925 PolarHBondContact O-N 3.13Å |
| 922 | I | 84.2 | Confident | 83.3 | Confident | 103 Ų | 103 | 80.6 Ų | 80.6 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 177.1 | -64.3 | 168.2 | 0 | 0 | 0 | 110.6 | N918 A919 Q920 I924 F925 N926 | N918-I922 WeakPolarHBondContact O-CG1 3.39Å; N918-I922 PolarHBondContact O-N 2.82Å; A919-I922 PolarHBondContact O-N 3.33Å; Q920-I922 VanDerWaalsContact C-N 3.33Å; Q920-I922 PolarHBondContact O-N 3.02Å; I922-I924 PolarHBondContact O-N 3.43Å; I922-F925 PolarHBondContact O-N 2.77Å; I922-N926 PolarHBondContact O-N 3.46Å |
| 923 | N | 86.1 | Confident | 81.9 | Confident | 89 Ų | 89 | 78.5 Ų | 78.5 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | -179.5 | -73.6 | 1.7 | 0 | 0 | 0 | 112.5 | A919 Q920 F925 N926 E927 | A919-N923 PolarHBondContact O-N 3.19Å; Q920-N923 PolarHBondContact O-N 2.86Å; N923-F925 PolarHBondContact O-N 2.88Å; N923-N926 PolarHBondContact O-N 3.08Å; N923-E927 WeakPolarHBondContact O-CB 3.44Å; N923-E927 WeakPolarHBondContact O-CG 3.25Å; N923-E927 PolarHBondContact O-N 2.95Å |
| 924 | I | 81.7 | Confident | 80.5 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 29% | 0.292 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -35.6 | 178.2 | -67.6 | 166.7 | 0 | 0 | 0 | 110.8 | L863 Q920 I922 Q928 | L863-I924 HydrophobicContact CD1-CG2 4.5Å; Q920-I924 VanDerWaalsContact O-CG1 3.29Å; Q920-I924 WeakPolarHBondContact O-CG1 3.4Å; Q920-I924 PolarHBondContact O-N 2.91Å; I922-I924 PolarHBondContact O-N 3.43Å; I924-Q928 WeakPolarHBondContact O-CB 3.24Å; I924-Q928 WeakPolarHBondContact O-CG 3.48Å; I924-Q928 PolarHBondContact O-N 3.47Å |
| 925 | F | 79.3 | Confident | 78.9 | Confident | 128 Ų | 128 | 81.7 Ų | 81.7 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -69.8 | -42 | 177.8 | -163.5 | -93.5 | 0 | 0 | 0 | 112 | R921 I922 N923 Q928 G929 | R921-F925 PolarHBondContact O-N 3.13Å; I922-F925 PolarHBondContact O-N 2.77Å; N923-F925 PolarHBondContact O-N 2.88Å; F925-Q928 PolarHBondContact O-N 3.48Å; F925-G929 PolarHBondContact O-N 3.42Å; F925-G929 VanDerWaalsContact O-N 3.1Å |
| 926 | N | 80.3 | Confident | 77.4 | Confident | 86 Ų | 86 | 77.5 Ų | 77.5 | 46% | 0.46 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.6 | -47.3 | 177.3 | -68.1 | -12.1 | 0 | 0 | 0 | 111.7 | I922 N923 Q928 G929 D930 | I922-N926 PolarHBondContact O-N 3.46Å; N923-N926 PolarHBondContact O-N 3.08Å; N926-Q928 PolarHBondContact O-N 3.48Å; N926-G929 WeakPolarHBondContact O-CA 3.28Å; N926-G929 PolarHBondContact O-N 2.93Å; N926-D930 PolarHBondContact O-N 3.21Å |
| 927 | E | 77.3 | Confident | 75.9 | Confident | 111 Ų | 111 | 77 Ų | 77 | 52% | 0.519 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.2 | -35.3 | 177.7 | -74.2 | 175 | -174.1 | 0 | 0 | 112 | N923 Q931 | N923-E927 WeakPolarHBondContact O-CB 3.44Å; N923-E927 WeakPolarHBondContact O-CG 3.25Å; N923-E927 PolarHBondContact O-N 2.95Å; E927-Q931 WeakPolarHBondContact O-CB 3.42Å; E927-Q931 VanDerWaalsContact O-CG 3.27Å; E927-Q931 WeakPolarHBondContact O-CG 3.5Å; E927-Q931 PolarHBondContact O-N 3.46Å |
| 928 | Q | 71.3 | Confident | 74.4 | Confident | 25 Ų | 25 | 82 Ų | 82 | 12% | 0.117 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -74.7 | -27.7 | 175.1 | -74.4 | -179.2 | 20.3 | 0 | 0 | 113.8 | K860 I924 F925 N926 L932 | K860-Q928 VanDerWaalsContact CG-OE1 3.31Å; I924-Q928 WeakPolarHBondContact O-CB 3.24Å; I924-Q928 WeakPolarHBondContact O-CG 3.48Å; I924-Q928 PolarHBondContact O-N 3.47Å; F925-Q928 PolarHBondContact O-N 3.48Å; N926-Q928 PolarHBondContact O-N 3.48Å; Q928-L932 WeakPolarHBondContact O-CB 3.45Å; Q928-L932 PolarHBondContact O-N 3.41Å |
| 929 | G | 69.3 | Low | 72.9 | Confident | 29 Ų | 29 | 85.9 Ų | 85.9 | 30% | 0.299 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.6 | -50.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F925 N926 Q931 L932 D933 | F925-G929 PolarHBondContact O-N 3.42Å; F925-G929 VanDerWaalsContact O-N 3.1Å; N926-G929 WeakPolarHBondContact O-CA 3.28Å; N926-G929 PolarHBondContact O-N 2.93Å; G929-Q931 PolarHBondContact O-N 3.37Å; G929-L932 WeakPolarHBondContact O-CA 3.31Å; G929-L932 VanDerWaalsContact O-CB 3.29Å; G929-L932 WeakPolarHBondContact O-CB 3.38Å; G929-L932 PolarHBondContact O-N 3.4Å; G929-D933 PolarHBondContact O-N 3.45Å |
| 930 | D | 67.9 | Low | 71.4 | Confident | 94 Ų | 94 | 91.1 Ų | 91.1 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | -179.3 | -66.6 | -19.4 | 0 | 0 | 0 | 112.2 | N926 L932 D933 Q934 | N926-D930 PolarHBondContact O-N 3.21Å; D930-L932 VanDerWaalsContact C-N 3.28Å; D930-L932 PolarHBondContact O-N 2.72Å; D930-D933 PolarHBondContact O-N 3.15Å; D930-Q934 WeakPolarHBondContact O-CB 3.35Å; D930-Q934 VanDerWaalsContact O-CG 3.29Å; D930-Q934 WeakPolarHBondContact O-CG 3.49Å; D930-Q934 PolarHBondContact O-N 3.47Å |
| 931 | Q | 65.7 | Low | 69.8 | Low | 96 Ų | 96 | 91.2 Ų | 91.2 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.7 | -33.4 | 173.6 | -76.1 | 175.8 | 12.8 | 0 | 0 | 112.4 | E927 G929 L935 | E927-Q931 WeakPolarHBondContact O-CB 3.42Å; E927-Q931 VanDerWaalsContact O-CG 3.27Å; E927-Q931 WeakPolarHBondContact O-CG 3.5Å; E927-Q931 PolarHBondContact O-N 3.46Å; G929-Q931 PolarHBondContact O-N 3.37Å; Q931-L935 WeakPolarHBondContact O-CB 3.06Å; Q931-L935 VanDerWaalsContact O-CG 3.23Å; Q931-L935 WeakPolarHBondContact O-CG 3.24Å; Q931-L935 PolarHBondContact O-N 2.82Å |
| 932 | L | 64.2 | Low | 68 | Low | 75 Ų | 75 | 90.9 Ų | 90.9 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.6 | -42.3 | 176.9 | -156.5 | 96 | 0 | 0 | 0 | 111 | Q928 G929 D930 T936 | Q928-L932 WeakPolarHBondContact O-CB 3.45Å; Q928-L932 PolarHBondContact O-N 3.41Å; G929-L932 WeakPolarHBondContact O-CA 3.31Å; G929-L932 VanDerWaalsContact O-CB 3.29Å; G929-L932 WeakPolarHBondContact O-CB 3.38Å; G929-L932 PolarHBondContact O-N 3.4Å; D930-L932 VanDerWaalsContact C-N 3.28Å; D930-L932 PolarHBondContact O-N 2.72Å; L932-T936 WeakPolarHBondContact O-CB 3.49Å; L932-T936 WeakPolarHBondContact O-CG2 3.33Å; L932-T936 PolarHBondContact O-N 2.79Å; L932-T936 PolarHBondContact O-OG1 3.27Å |
| 933 | D | 65.7 | Low | 66.4 | Low | 98 Ų | 98 | 89.8 Ų | 89.8 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 177.5 | -74.3 | -11.3 | 0 | 0 | 0 | 111.1 | G929 D930 T936 T937 | G929-D933 PolarHBondContact O-N 3.45Å; D930-D933 PolarHBondContact O-N 3.15Å; D933-T936 VanDerWaalsContact CA-OG1 3.31Å; D933-T936 WeakPolarHBondContact CA-OG1 3.3Å; D933-T936 PolarHBondContact O-N 3.35Å; D933-T936 PolarHBondContact O-OG1 2.99Å; D933-T937 WeakPolarHBondContact O-CG2 3.41Å; D933-T937 PolarHBondContact O-N 2.77Å; D933-T937 PolarHBondContact O-OG1 2.93Å |
| 934 | Q | 64.9 | Low | 64.7 | Low | 114 Ų | 114 | 87.8 Ų | 87.8 | 53% | 0.533 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -51.5 | 173.2 | -76.2 | 173.5 | 11.4 | 0 | 0 | 111.5 | D930 T936 T937 E938 | D930-Q934 WeakPolarHBondContact O-CB 3.35Å; D930-Q934 VanDerWaalsContact O-CG 3.29Å; D930-Q934 WeakPolarHBondContact O-CG 3.49Å; D930-Q934 PolarHBondContact O-N 3.47Å; Q934-T936 VanDerWaalsContact C-N 3.31Å; Q934-T936 PolarHBondContact O-N 3.37Å; Q934-T937 WeakPolarHBondContact CA-OG1 3.43Å; Q934-T937 PolarHBondContact O-N 3.4Å; Q934-T937 VanDerWaalsContact O-N 3.12Å; Q934-T937 PolarHBondContact O-OG1 3.45Å; Q934-E938 WeakPolarHBondContact O-CG 3.22Å; Q934-E938 PolarHBondContact O-N 3.19Å |
| 935 | L | 60.5 | Low | 63.2 | Low | 83 Ų | 83 | 90.4 Ų | 90.4 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -36.3 | 179.1 | -73.3 | 171.7 | 0 | 0 | 0 | 112.5 | Q931 E938 L939 | Q931-L935 WeakPolarHBondContact O-CB 3.06Å; Q931-L935 VanDerWaalsContact O-CG 3.23Å; Q931-L935 WeakPolarHBondContact O-CG 3.24Å; Q931-L935 PolarHBondContact O-N 2.82Å; L935-E938 PolarHBondContact O-N 3.45Å; L935-L939 WeakPolarHBondContact O-CB 3.31Å; L935-L939 PolarHBondContact O-N 2.75Å |
| 936 | T | 62.1 | Low | 61.7 | Low | 67 Ų | 67 | 88.2 Ų | 88.2 | 41% | 0.411 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.2 | -32.9 | 175.4 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | L932 D933 Q934 K940 | L932-T936 WeakPolarHBondContact O-CB 3.49Å; L932-T936 WeakPolarHBondContact O-CG2 3.33Å; L932-T936 PolarHBondContact O-N 2.79Å; L932-T936 PolarHBondContact O-OG1 3.27Å; D933-T936 VanDerWaalsContact CA-OG1 3.31Å; D933-T936 WeakPolarHBondContact CA-OG1 3.3Å; D933-T936 PolarHBondContact O-N 3.35Å; D933-T936 PolarHBondContact O-OG1 2.99Å; Q934-T936 VanDerWaalsContact C-N 3.31Å; Q934-T936 PolarHBondContact O-N 3.37Å; T936-K940 WeakPolarHBondContact O-CG 3.31Å; T936-K940 PolarHBondContact O-N 3.49Å; T936-K940 VanDerWaalsContact O-N 3.09Å |
| 937 | T | 61.8 | Low | 60.1 | Low | 81 Ų | 81 | 86.7 Ų | 86.7 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 170.8 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | D933 Q934 L939 K940 T941 | D933-T937 WeakPolarHBondContact O-CG2 3.41Å; D933-T937 PolarHBondContact O-N 2.77Å; D933-T937 PolarHBondContact O-OG1 2.93Å; Q934-T937 WeakPolarHBondContact CA-OG1 3.43Å; Q934-T937 PolarHBondContact O-N 3.4Å; Q934-T937 VanDerWaalsContact O-N 3.12Å; Q934-T937 PolarHBondContact O-OG1 3.45Å; T937-L939 VanDerWaalsContact C-N 3.31Å; T937-L939 PolarHBondContact O-N 3.34Å; T937-K940 PolarHBondContact O-N 3.42Å; T937-T941 WeakPolarHBondContact O-CG2 3.48Å; T937-T941 PolarHBondContact O-N 2.81Å; T937-T941 PolarHBondContact O-OG1 3.25Å |
| 938 | E | 60.8 | Low | 58.3 | Low | 110 Ų | 110 | 88 Ų | 88 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -36.2 | 175.9 | -72.4 | 179.1 | 176.6 | 0 | 0 | 112.3 | Q934 L935 T941 S942 | Q934-E938 WeakPolarHBondContact O-CG 3.22Å; Q934-E938 PolarHBondContact O-N 3.19Å; L935-E938 PolarHBondContact O-N 3.45Å; E938-T941 WeakPolarHBondContact CA-OG1 3.27Å; E938-T941 PolarHBondContact O-OG1 3.14Å; E938-S942 WeakPolarHBondContact O-CB 3.37Å; E938-S942 PolarHBondContact O-OG 3.25Å; E938-S942 PolarHBondContact O-N 3.31Å |
| 939 | L | 58.8 | Low | 57.1 | Low | 134 Ų | 134 | 94.2 Ų | 94.2 | 70% | 0.702 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.2 | -40.6 | 174.8 | -140.6 | 95.7 | 0 | 0 | 0 | 111.8 | L935 T937 S943 | L935-L939 WeakPolarHBondContact O-CB 3.31Å; L935-L939 PolarHBondContact O-N 2.75Å; T937-L939 VanDerWaalsContact C-N 3.31Å; T937-L939 PolarHBondContact O-N 3.34Å; L939-S943 WeakPolarHBondContact O-CB 3.49Å; L939-S943 PolarHBondContact O-N 3.18Å |
| 940 | K | 59.5 | Low | 55.7 | Low | 160 Ų | 160 | 100.8 Ų | 100.8 | 70% | 0.696 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.6 | -40.4 | 176.7 | -79.7 | 178.9 | 178.7 | 177.2 | 0 | 112 | T936 T937 S943 A944 | T936-K940 WeakPolarHBondContact O-CG 3.31Å; T936-K940 PolarHBondContact O-N 3.49Å; T936-K940 VanDerWaalsContact O-N 3.09Å; T937-K940 PolarHBondContact O-N 3.42Å; K940-S943 PolarHBondContact O-N 3.16Å; K940-A944 WeakPolarHBondContact O-CB 3.35Å; K940-A944 PolarHBondContact O-N 3.42Å |
| 941 | T | 55.5 | Low | 54.5 | Low | 84 Ų | 84 | 103.4 Ų | 103.4 | 52% | 0.515 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.6 | -39.7 | 176.5 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | T937 E938 S943 A944 V945 | T937-T941 WeakPolarHBondContact O-CG2 3.48Å; T937-T941 PolarHBondContact O-N 2.81Å; T937-T941 PolarHBondContact O-OG1 3.25Å; E938-T941 WeakPolarHBondContact CA-OG1 3.27Å; E938-T941 PolarHBondContact O-OG1 3.14Å; T941-S943 VanDerWaalsContact C-N 3.31Å; T941-S943 PolarHBondContact O-N 3.32Å; T941-A944 PolarHBondContact O-N 2.71Å; T941-V945 PolarHBondContact O-N 3.12Å; T941-V945 WeakPolarHBondContact O-CG2 3.41Å |
| 942 | S | 51.9 | Low | 53.5 | Low | 84 Ų | 84 | 106.6 Ų | 106.6 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.3 | -36.7 | 174.5 | -56 | 0 | 0 | 0 | 0 | 112.4 | E938 | E938-S942 WeakPolarHBondContact O-CB 3.37Å; E938-S942 PolarHBondContact O-OG 3.25Å; E938-S942 PolarHBondContact O-N 3.31Å |
| 943 | S | 50.5 | Low | 52.6 | Low | 80 Ų | 80 | 110.7 Ų | 110.7 | 56% | 0.559 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.7 | -36.3 | 172.7 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | L939 K940 T941 A946 A947 | L939-S943 WeakPolarHBondContact O-CB 3.49Å; L939-S943 PolarHBondContact O-N 3.18Å; K940-S943 PolarHBondContact O-N 3.16Å; T941-S943 VanDerWaalsContact C-N 3.31Å; T941-S943 PolarHBondContact O-N 3.32Å; S943-A946 PolarHBondContact O-N 3.39Å; S943-A947 PolarHBondContact O-N 3.25Å |
| 944 | A | 49.8 | Very low | 51.3 | Low | 48 Ų | 48 | 109.1 Ų | 109.1 | 40% | 0.397 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.5 | -36 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K940 T941 A946 A947 N948 | K940-A944 WeakPolarHBondContact O-CB 3.35Å; K940-A944 PolarHBondContact O-N 3.42Å; T941-A944 PolarHBondContact O-N 2.71Å; A944-A946 PolarHBondContact O-N 3.39Å; A944-A947 PolarHBondContact O-N 3.07Å; A944-N948 WeakPolarHBondContact O-CB 3.02Å; A944-N948 PolarHBondContact O-N 3.15Å |
| 945 | V | 50.9 | Low | 50.4 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 67% | 0.673 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.8 | -26.4 | 172.6 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | T941 | T941-V945 PolarHBondContact O-N 3.12Å; T941-V945 WeakPolarHBondContact O-CG2 3.41Å |
| 946 | A | 46.9 | Very low | 49.8 | Very low | 83 Ų | 83 | 116.3 Ų | 116.3 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -84.9 | -15.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S943 A944 | S943-A946 PolarHBondContact O-N 3.39Å; A944-A946 PolarHBondContact O-N 3.39Å |
| 947 | A | 45.7 | Very low | 49 | Very low | 54 Ų | 54 | 118.3 Ų | 118.3 | 45% | 0.446 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -101.2 | -17.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S943 A944 D949 Q950 | S943-A947 PolarHBondContact O-N 3.25Å; A944-A947 PolarHBondContact O-N 3.07Å; A947-D949 PolarHBondContact O-N 2.85Å; A947-Q950 PolarHBondContact O-N 3.12Å |
| 948 | N | 41 | Very low | 48.1 | Very low | 138 Ų | 138 | 124 Ų | 124 | 74% | 0.738 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 1.8 | -175 | -125.1 | 55 | 0 | 0 | 0 | 114.9 | A944 Q950 | A944-N948 WeakPolarHBondContact O-CB 3.02Å; A944-N948 PolarHBondContact O-N 3.15Å; N948-Q950 VanDerWaalsContact C-N 3.35Å |
| 949 | D | 45 | Very low | 47.2 | Very low | 155 Ų | 155 | 121.4 Ų | 121.4 | 83% | 0.829 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 15.7 | 172.2 | -75.4 | -21.6 | 0 | 0 | 0 | 112.6 | A947 | A947-D949 PolarHBondContact O-N 2.85Š|
| 950 | Q | 40.9 | Very low | 46.5 | Very low | 168 Ų | 168 | 121.6 Ų | 121.6 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -124.1 | -0.3 | -175.6 | -103.1 | 171.8 | -11.2 | 0 | 0 | 118.4 | A947 N948 | A947-Q950 PolarHBondContact O-N 3.12Å; N948-Q950 VanDerWaalsContact C-N 3.35Å |
| 951 | D | 42.7 | Very low | 45.5 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -130 | 19.9 | -172 | -73.5 | -32.2 | 0 | 0 | 0 | 116.9 | ||
| 952 | D | 44.8 | Very low | 44.8 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -107.6 | 7.4 | -179.6 | -125.1 | 7.5 | 0 | 0 | 0 | 116.3 | ||
| 953 | D | 44.6 | Very low | 44.5 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -112.1 | 22.2 | 175.8 | -70.9 | -45.3 | 0 | 0 | 0 | 113.5 | ||
| 954 | G | 38.9 | Very low | 44.2 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | trans | -85.1 | -13.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 955 | E | 46.3 | Very low | 43.9 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -95.4 | -4.4 | -168.7 | -69.6 | -160 | 163.3 | 0 | 0 | 116.6 | ||
| 956 | D | 46.5 | Very low | 43.5 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -110.8 | 8.4 | -175.3 | -81.4 | -21.7 | 0 | 0 | 0 | 116.3 | ||
| 957 | V | 46 | Very low | 43.2 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 66% | 0.655 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -103.4 | -6.4 | -175.7 | -166.4 | 0 | 0 | 0 | 0 | 114.9 | G959 | V957-G959 PolarHBondContact O-N 3.38Å; V957-G959 VanDerWaalsContact O-N 3.15Å |
| 958 | E | 43.9 | Very low | 43.1 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 5.8 | 175.3 | -74.7 | -161.6 | 158.4 | 0 | 0 | 114.7 | ||
| 959 | G | 41.7 | Very low | 43.2 | Very low | 56 Ų | 56 | 151.3 Ų | 151.3 | 58% | 0.577 | 83% | 0.83 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -3.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | V957 | V957-G959 PolarHBondContact O-N 3.38Å; V957-G959 VanDerWaalsContact O-N 3.15Å |
| 960 | I | 42.8 | Very low | 43.1 | Very low | 139 Ų | 139 | 151 Ų | 151 | 71% | 0.713 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -114.6 | 5 | -170.4 | -56.1 | -179.9 | 0 | 0 | 0 | 113.9 | ||
| 961 | W | 40.1 | Very low | 43.3 | Very low | 259 Ų | 259 | 149.6 Ų | 149.6 | 98% | 0.981 | 83% | 0.834 | S | S | * | * | trans | -109.5 | 20.4 | 166.6 | -70.8 | 82.7 | 0 | 0 | 0 | 113.9 | ||||
| 962 | A | 41.1 | Very low | 43.3 | Very low | 147 Ų | 147 | 149.7 Ų | 149.7 | 100% | 1.215 | 84% | 0.838 | S | S | * | * | trans | -110.1 | 0 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 962 of 962 residues in 1552.2 ms
(Link to these results)