| 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 | 34.7 | Very low | 40 | Very low | 234 Ų | 234 | 133.6 Ų | 133.6 | 100% | 1.153 | 83% | 0.832 | S | S | * | * | 0 | 137.5 | 0 | -72.5 | -60.2 | 179.8 | 0 | 0 | 107.5 | |||||
| 2 | P | 58.5 | Low | 39.8 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 67% | 0.669 | 82% | 0.823 | S | S | * | * | -117.8 | 173.3 | -92.1 | 23.1 | -2.4 | 0 | 0 | 0 | 110.8 | |||||
| 3 | L | 37.8 | Very low | 39.7 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | -174.2 | 128.3 | 84.5 | -83.7 | 161.7 | 0 | 0 | 0 | 111.4 | |||||
| 4 | S | 42.4 | Very low | 39.6 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -59.3 | 146.3 | 160.2 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | T | 39.2 | Very low | 39.8 | Very low | 143 Ų | 143 | 127.3 Ų | 127.3 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | -122 | 112.9 | 154.4 | 41.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 6 | A | 37.3 | Very low | 39.9 | Very low | 93 Ų | 93 | 126.6 Ų | 126.6 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -76.1 | 125.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | I8 | A6-I8 PolarHBondContact O-N 3.37Š| ||
| 7 | G | 35.9 | Very low | 40.1 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | -78.7 | 112.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 8 | I | 39.7 | Very low | 40.2 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 75% | 0.749 | 84% | 0.84 | S | S | * | * | trans | -89.1 | 120.2 | 163.2 | -64 | 166.5 | 0 | 0 | 0 | 106.6 | A6 | A6-I8 PolarHBondContact O-N 3.37Š| ||
| 9 | L | 37.9 | Very low | 40.5 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | trans | -129.6 | 111.8 | 158.8 | -76.5 | 175.7 | 0 | 0 | 0 | 108.7 | ||||
| 10 | S | 36.8 | Very low | 41 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | trans | -76.1 | 135.9 | 164.2 | -63.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 11 | S | 39.8 | Very low | 41.5 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | trans | -152.4 | 106.3 | 153.3 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 12 | S | 37.6 | Very low | 42.4 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | 50.4 | 107.6 | 135.9 | 58.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 13 | S | 38.7 | Very low | 41.9 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | 31.9 | 106.9 | 114.9 | -37.7 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 14 | A | 38.8 | Very low | 42.5 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -137.9 | 95.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 15 | A | 42 | Very low | 43.1 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | trans | -77.1 | 122.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 16 | S | 41.1 | Very low | 43.9 | Very low | 117 Ų | 117 | 150 Ų | 150 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -141.1 | 122.6 | 156.2 | 67.1 | 0 | 0 | 0 | 0 | 110.1 | R18 | S16-R18 PolarHBondContact O-N 3.31Š| ||
| 17 | N | 42.9 | Very low | 45.1 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | trans | -61.3 | 113.6 | -176.5 | -79.9 | -30.8 | 0 | 0 | 0 | 111.4 | S19 | N17-S19 PolarHBondContact O-N 3.42Š| ||
| 18 | R | 42.8 | Very low | 46 | Very low | 243 Ų | 243 | 156.3 Ų | 156.3 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | trans | -77.3 | 94.9 | 159.5 | -102.2 | -179.9 | 175.6 | 169.5 | -0.8 | 109 | S16 R20 | S16-R18 PolarHBondContact O-N 3.31Å; R18-R20 PolarHBondContact O-N 3.28Å; R18-R20 VanDerWaalsContact O-N 3.12Å | ||
| 19 | S | 46.3 | Very low | 47 | Very low | 99 Ų | 99 | 153.7 Ų | 153.7 | 69% | 0.692 | 83% | 0.827 | S | S | * | * | trans | -64.6 | 106.8 | 166.5 | 64.3 | 0 | 0 | 0 | 0 | 109.4 | N17 N21 | N17-S19 PolarHBondContact O-N 3.42Å; S19-N21 PolarHBondContact O-N 3.19Å | ||
| 20 | R | 50.2 | Low | 48.1 | Very low | 237 Ų | 237 | 152.4 Ų | 152.4 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | trans | -74.7 | 106.6 | 167.1 | -78.5 | 177.1 | 164.3 | 157.8 | -4.9 | 108.6 | R18 K22 | R18-R20 PolarHBondContact O-N 3.28Å; R18-R20 VanDerWaalsContact O-N 3.12Å; R20-K22 PolarHBondContact O-N 3.27Å | ||
| 21 | N | 50.7 | Low | 49.1 | Very low | 163 Ų | 163 | 151.2 Ų | 151.2 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -65 | 94.7 | 165.9 | -77.5 | -18 | 0 | 0 | 0 | 109.2 | S19 | S19-N21 PolarHBondContact O-N 3.19Š| ||
| 22 | K | 53.4 | Low | 50.2 | Low | 191 Ų | 191 | 151.2 Ų | 151.2 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | trans | -96.1 | 116.2 | 166 | -161.7 | 169.3 | -176.3 | 177.3 | 0 | 107.3 | R20 R24 | R20-K22 PolarHBondContact O-N 3.27Å; K22-R24 PolarHBondContact O-N 3.23Å | ||
| 23 | A | 48.2 | Very low | 51.3 | Low | 88 Ų | 88 | 155.3 Ų | 155.3 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -53.2 | 111.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 24 | R | 50.7 | Low | 52.4 | Low | 241 Ų | 241 | 154.3 Ų | 154.3 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -83 | 115 | 166.9 | -69.8 | -176.2 | -161.7 | -176.6 | 4.8 | 107.2 | K22 R26 | K22-R24 PolarHBondContact O-N 3.23Å; R24-R26 PolarHBondContact O-N 3.34Å | ||
| 25 | Y | 55.9 | Low | 53.3 | Low | 221 Ų | 221 | 154.8 Ų | 154.8 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -64.4 | 121.7 | 160.9 | -71.3 | -83.4 | 0 | 0 | 0 | 107.9 | T27 | Y25-T27 PolarHBondContact O-N 3.47Š| ||
| 26 | R | 55.5 | Low | 54.3 | Low | 229 Ų | 229 | 157.5 Ų | 157.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -81.8 | 105.3 | 171.6 | -178.3 | 175.6 | 178.7 | 133.4 | -1.6 | 107.3 | R24 K28 | R24-R26 PolarHBondContact O-N 3.34Å; R26-K28 PolarHBondContact O-N 3.45Å | ||
| 27 | T | 62.5 | Low | 55.4 | Low | 124 Ų | 124 | 157 Ų | 157 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -62 | 116.2 | 169.4 | -37.3 | 0 | 0 | 0 | 0 | 108.1 | Y25 | Y25-T27 PolarHBondContact O-N 3.47Š| ||
| 28 | K | 54.9 | Low | 55.8 | Low | 184 Ų | 184 | 155.9 Ų | 155.9 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -79.6 | 148.4 | 164.4 | -71.2 | -170 | 173.8 | -174.8 | 0 | 108 | R26 | R26-K28 PolarHBondContact O-N 3.45Š| ||
| 29 | A | 59.7 | Low | 56.1 | Low | 90 Ų | 90 | 152.7 Ų | 152.7 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | -40.7 | 148.3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 30 | V | 62 | Low | 56 | Low | 147 Ų | 147 | 151.1 Ų | 151.1 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -83.9 | -8.5 | -175.9 | 172.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 31 | S | 57.6 | Low | 55.5 | Low | 87 Ų | 87 | 147.7 Ų | 147.7 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | trans | -132 | 130.2 | 174.5 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 32 | S | 62.5 | Low | 55.2 | Low | 108 Ų | 108 | 147.9 Ų | 147.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -93.5 | 99.4 | 167.8 | 63.8 | 0 | 0 | 0 | 0 | 108.5 | V34 | S32-V34 PolarHBondContact O-N 3.45Š| ||
| 33 | E | 61.9 | Low | 54.5 | Low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -83.6 | 101.8 | 159.9 | -74.3 | 176.8 | -176.5 | 0 | 0 | 106.5 | ||||
| 34 | V | 61.8 | Low | 53.9 | Low | 104 Ų | 104 | 148.9 Ų | 148.9 | 63% | 0.63 | 78% | 0.78 | S | S | * | * | trans | -87.7 | 121.3 | 168.6 | 176.6 | 0 | 0 | 0 | 0 | 106.1 | S32 E36 | S32-V34 PolarHBondContact O-N 3.45Å; V34-E36 PolarHBondContact O-N 3.32Å | ||
| 35 | D | 56.3 | Low | 53.4 | Low | 114 Ų | 114 | 143.4 Ų | 143.4 | 61% | 0.61 | 78% | 0.776 | S | S | * | * | trans | -72.5 | 105.9 | 171.9 | -176.3 | 3.1 | 0 | 0 | 0 | 109 | S37 | D35-S37 PolarHBondContact O-N 3.43Å; D35-S37 VanDerWaalsContact OD1-CB 3.32Å; D35-S37 WeakPolarHBondContact OD1-CB 3.44Å; D35-S37 PolarHBondContact OD1-N 3.33Å; D35-S37 PolarHBondContact OD1-OG 3.39Å | ||
| 36 | E | 64.1 | Low | 52.3 | Low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -78.8 | 2.1 | 179.3 | -62.6 | -145.6 | 150.5 | 0 | 0 | 113.5 | V34 L38 | V34-E36 PolarHBondContact O-N 3.32Å; E36-L38 PolarHBondContact O-N 3.3Å |
| 37 | S | 62.7 | Low | 51.4 | Low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -79.9 | 2.2 | 177.5 | -55.6 | 0 | 0 | 0 | 0 | 114.1 | D35 | D35-S37 PolarHBondContact O-N 3.43Å; D35-S37 VanDerWaalsContact OD1-CB 3.32Å; D35-S37 WeakPolarHBondContact OD1-CB 3.44Å; D35-S37 PolarHBondContact OD1-N 3.33Å; D35-S37 PolarHBondContact OD1-OG 3.39Å |
| 38 | L | 53.2 | Low | 50.1 | Low | 143 Ų | 143 | 133.4 Ų | 133.4 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -93.3 | -9.6 | -179.3 | -152.7 | 77.9 | 0 | 0 | 0 | 114 | E36 | E36-L38 PolarHBondContact O-N 3.3Š|
| 39 | F | 48.9 | Very low | 49.1 | Very low | 177 Ų | 177 | 134 Ų | 134 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -114.8 | 101.1 | 174 | -63.4 | -78.7 | 0 | 0 | 0 | 108.6 | ||
| 40 | G | 43.2 | Very low | 47.9 | Very low | 66 Ų | 66 | 135.1 Ų | 135.1 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | -49.9 | 141.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | I42 | G40-I42 PolarHBondContact O-N 3.35Å; G40-I42 VanDerWaalsContact O-N 3.14Å | ||
| 41 | D | 39.6 | Very low | 46.7 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -48.6 | 112.6 | 168 | -72.5 | -43.4 | 0 | 0 | 0 | 111.6 | K43 | D41-K43 PolarHBondContact O-N 3.37Š| ||
| 42 | I | 43.9 | Very low | 45.6 | Very low | 167 Ų | 167 | 137 Ų | 137 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -81 | 100.8 | 166.8 | -60.6 | 174.8 | 0 | 0 | 0 | 107.4 | G40 S44 | G40-I42 PolarHBondContact O-N 3.35Å; G40-I42 VanDerWaalsContact O-N 3.14Å; I42-S44 PolarHBondContact O-N 3.32Å | ||
| 43 | K | 39.7 | Very low | 44.5 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 126.6 | 163.7 | -67.1 | 177.5 | 178.2 | 177.2 | 0 | 109.9 | D41 | D41-K43 PolarHBondContact O-N 3.37Š|
| 44 | S | 36.3 | Very low | 43.2 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 129.7 | 164.1 | 40.7 | 0 | 0 | 0 | 0 | 110.3 | I42 | I42-S44 PolarHBondContact O-N 3.32Š|
| 45 | P | 39.5 | Very low | 41.8 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 139.2 | 162.3 | 31.2 | -23 | 0 | 0 | 0 | 110.3 | ||
| 46 | A | 32.3 | Very low | 40.9 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 154 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 47 | Q | 36.8 | Very low | 39.6 | Very low | 196 Ų | 196 | 137.6 Ų | 137.6 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 127.7 | 171.4 | -165.7 | 165.9 | -2.3 | 0 | 0 | 110.7 | ||
| 48 | G | 35.1 | Very low | 38.5 | Very low | 67 Ų | 67 | 144.2 Ų | 144.2 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | 73.9 | 109.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 49 | Q | 33.8 | Very low | 37.6 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | 174.8 | 124.4 | 127.7 | -96.6 | 177.3 | 29.6 | 0 | 0 | 110.8 | |||||
| 50 | S | 33.7 | Very low | 37.1 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | 154.2 | 99.2 | 129.7 | 52 | 0 | 0 | 0 | 0 | 112 | |||||
| 51 | D | 38 | Very low | 36.7 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -73.7 | 122.9 | 152.8 | -82.7 | -38.8 | 0 | 0 | 0 | 108.3 | ||||
| 52 | S | 34.4 | Very low | 36.6 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | trans | -157.5 | 129.6 | 155.6 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 53 | P | 40 | Very low | 36.3 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -85.9 | 125.6 | 175.2 | 31.9 | -28.8 | 0 | 0 | 0 | 110.3 | V55 | P53-V55 PolarHBondContact O-N 3.19Š| ||
| 54 | I | 33.5 | Very low | 35.9 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 77% | 0.774 | 82% | 0.818 | S | S | * | * | trans | -68.4 | 108.9 | 168.6 | -78 | 165.3 | 0 | 0 | 0 | 108.8 | L56 | I54-L56 HydrophobicContact CG2-CD1 4.38Å; I54-L56 HydrophobicContact CG2-CG 3.92Å | ||
| 55 | V | 33.6 | Very low | 35.8 | Very low | 115 Ų | 115 | 152.9 Ų | 152.9 | 70% | 0.697 | 82% | 0.821 | S | S | * | * | trans | -90 | 108.7 | 164.7 | 175.5 | 0 | 0 | 0 | 0 | 107.3 | P53 L57 | P53-V55 PolarHBondContact O-N 3.19Å; V55-L57 HydrophobicContact CG1-CD1 4.29Å | ||
| 56 | L | 37.4 | Very low | 35.4 | Very low | 159 Ų | 159 | 153 Ų | 153 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -90.7 | 99.6 | 166.6 | -77.3 | 169.5 | 0 | 0 | 0 | 109 | I54 | I54-L56 HydrophobicContact CG2-CD1 4.38Å; I54-L56 HydrophobicContact CG2-CG 3.92Å | ||
| 57 | L | 36.1 | Very low | 35.4 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | -59.4 | 134.5 | 159.1 | -87.1 | 108.7 | 0 | 0 | 0 | 109.4 | V55 | V55-L57 HydrophobicContact CG1-CD1 4.29Š| ||
| 58 | R | 39.8 | Very low | 35.3 | Very low | 246 Ų | 246 | 153.8 Ų | 153.8 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | trans | -108.7 | 129.7 | 158.8 | -98 | -168.4 | 177.8 | 179.6 | 0.5 | 109.8 | ||||
| 59 | D | 34.1 | Very low | 35.3 | Very low | 144 Ų | 144 | 154 Ų | 154 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | -65 | 144.9 | -173.3 | -81 | -44.7 | 0 | 0 | 0 | 115.2 | H61 | D59-H61 PolarHBondContact O-N 3.19Š| ||
| 60 | K | 38.6 | Very low | 35.4 | Very low | 201 Ų | 201 | 153 Ų | 153 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -88.7 | 58.5 | 176.1 | -68.5 | 179.1 | 174.1 | 176.5 | 0 | 112.2 | ||||
| 61 | H | 35.1 | Very low | 35.3 | Very low | 158 Ų | 158 | 151.1 Ų | 151.1 | 73% | 0.731 | 81% | 0.814 | S | S | * | * | trans | -136 | 90.9 | 172.3 | -68.7 | -58.2 | 0 | 0 | 0 | 110.4 | D59 | D59-H61 PolarHBondContact O-N 3.19Š| ||
| 62 | T | 37.5 | Very low | 35.3 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 171 | 70.1 | 154.9 | 28.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 63 | L | 36.5 | Very low | 35.5 | Very low | 178 Ų | 178 | 152.4 Ų | 152.4 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -164.2 | 53.9 | 152.5 | -79.4 | -163.3 | 0 | 0 | 0 | 110 | ||||
| 64 | Q | 31.1 | Very low | 35.8 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -121.9 | 110.9 | 151.9 | -90.7 | -171.6 | -11.2 | 0 | 0 | 105.7 | ||||
| 65 | K | 35 | Very low | 36.3 | Very low | 198 Ų | 198 | 159.3 Ų | 159.3 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | 134.2 | 95.1 | 167.5 | -78.6 | 165.4 | 179.7 | -179.2 | 0 | 110.2 | ||||
| 66 | T | 30.2 | Very low | 37.1 | Very low | 129 Ų | 129 | 157.8 Ų | 157.8 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 142.7 | 82.4 | 165.9 | 41.9 | 0 | 0 | 0 | 0 | 103.7 | ||
| 67 | L | 33.6 | Very low | 37.9 | Very low | 161 Ų | 161 | 158 Ų | 158 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | -160.2 | 80.6 | 79.5 | -80.5 | 161.2 | 0 | 0 | 0 | 110 | |||||
| 68 | T | 34.4 | Very low | 38.7 | Very low | 151 Ų | 151 | 154.3 Ų | 154.3 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | trans | -94.2 | 81.8 | 152.8 | -45.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 69 | A | 35.7 | Very low | 39.8 | Very low | 72 Ų | 72 | 147.7 Ų | 147.7 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | trans | -159.7 | 51.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 70 | L | 35.6 | Very low | 40.7 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -153 | 76.5 | 154 | -76.3 | -172.5 | 0 | 0 | 0 | 109.3 | ||||
| 71 | G | 31.4 | Very low | 41.6 | Very low | 74 Ų | 74 | 141.9 Ų | 141.9 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | trans | -94 | 124.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 72 | L | 38.2 | Very low | 42.6 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | trans | -137.7 | 104.8 | 163.3 | -128.7 | 99 | 0 | 0 | 0 | 108.5 | R74 | L72-R74 HydrophobicContact CD2-CG 4.49Š| ||
| 73 | D | 38.8 | Very low | 43.6 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | -58.3 | 129.5 | 160.7 | -59.5 | -53 | 0 | 0 | 0 | 109.2 | ||||
| 74 | R | 44.5 | Very low | 44.7 | Very low | 220 Ų | 220 | 142.3 Ų | 142.3 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | trans | -123.7 | 120.5 | 168.4 | -70.3 | -171.7 | 178.8 | -176 | 0.6 | 110.2 | L72 | L72-R74 HydrophobicContact CD2-CG 4.49Š| ||
| 75 | K | 45.3 | Very low | 45.9 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 85% | 0.852 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 148.1 | 171.2 | -62.9 | 177.1 | 178.2 | 179.1 | 0 | 109.7 | ||
| 76 | P | 50.7 | Low | 46.9 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 53% | 0.532 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -72.5 | 135.9 | 179.2 | 28.1 | -32.9 | 0 | 0 | 0 | 112.3 | I91 | P76-I91 HydrophobicContact CB-CG2 4.35Š|
| 77 | E | 52.6 | Low | 48.3 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 77% | 0.771 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 133.7 | 175.8 | -71.7 | 178.9 | 168.5 | 0 | 0 | 110.8 | V92 | E77-V92 PolarHBondContact O-N 3.15Š|
| 78 | T | 53.4 | Low | 49.5 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 43% | 0.429 | 70% | 0.702 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.7 | 179.3 | -47.4 | 0 | 0 | 0 | 0 | 108.9 | E89 L90 I91 | T78-E89 HydrophobicContact CG2-CB 3.93Å; T78-E89 HydrophobicContact CG2-CG 4.33Å; T78-L90 WeakPolarHBondContact CA-O 3.37Å; T78-L90 WeakPolarHBondContact CG2-O 3.5Å; T78-I91 HydrophobicContact CG2-CG1 4.08Å |
| 79 | I | 63 | Low | 50.7 | Low | 106 Ų | 106 | 135.2 Ų | 135.2 | 54% | 0.544 | 69% | 0.687 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.2 | 179 | -57.3 | 174.3 | 0 | 0 | 0 | 108.5 | L90 V92 | I79-L90 PolarHBondContact N-O 3.45Å; I79-L90 PolarHBondContact O-N 3.03Å; I79-L90 VanDerWaalsContact O-N 3.13Å; I79-V92 HydrophobicContact CD1-CG2 4.04Å; I79-V92 HydrophobicContact CG1-CG2 4.42Å |
| 80 | Q | 53.9 | Low | 51.9 | Low | 118 Ų | 118 | 136.9 Ų | 136.9 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.2 | 120 | 177.1 | -77.9 | 177.4 | 7.1 | 0 | 0 | 110.9 | E89 | Q80-E89 HydrophobicContact CG-CG 3.55Å; Q80-E89 PolarHBondContact NE2-OE1 3.49Å |
| 81 | L | 57.8 | Low | 53.1 | Low | 105 Ų | 105 | 134 Ų | 134 | 55% | 0.55 | 67% | 0.669 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 119.4 | 174.4 | -101.7 | 153 | 0 | 0 | 0 | 109.8 | R88 L90 | L81-R88 PolarHBondContact N-O 2.91Å; L81-R88 PolarHBondContact O-N 3.08Å; L81-L90 HydrophobicContact CD1-CD1 4.05Å |
| 82 | I | 55.5 | Low | 54.2 | Low | 126 Ų | 126 | 133.9 Ų | 133.9 | 65% | 0.646 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.2 | -179.1 | -58.2 | 174.3 | 0 | 0 | 0 | 109 | V87 | I82-V87 HydrophobicContact CB-CG2 4.32Å; I82-V87 HydrophobicContact CG1-CG1 3.98Å; I82-V87 HydrophobicContact CG1-CG2 3.94Å; I82-V87 HydrophobicContact CG2-CG2 4.05Å |
| 83 | T | 58.7 | Low | 55 | Low | 106 Ų | 106 | 132.7 Ų | 132.7 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.6 | 155.9 | 163.6 | 39.3 | 0 | 0 | 0 | 0 | 111 | D85 M86 | T83-D85 PolarHBondContact O-N 3.25Å; T83-M86 PolarHBondContact O-N 3.48Å |
| 84 | R | 59.2 | Low | 55.8 | Low | 250 Ų | 250 | 130.6 Ų | 130.6 | 94% | 0.943 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -8.7 | -146.8 | -100.1 | 178.8 | 178.6 | 173 | -1 | 119.9 | ||
| 85 | D | 55.6 | Low | 56.4 | Low | 164 Ų | 164 | 128.5 Ų | 128.5 | 88% | 0.877 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.9 | 13.2 | 173.8 | -72.8 | -48 | 0 | 0 | 0 | 115.2 | T83 | T83-D85 PolarHBondContact O-N 3.25Š|
| 86 | M | 57.6 | Low | 56.4 | Low | 124 Ų | 124 | 126.5 Ų | 126.5 | 61% | 0.611 | 65% | 0.646 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -167.3 | 128.8 | 170.4 | -105.7 | 178.8 | 145.4 | 0 | 0 | 111.7 | T83 | T83-M86 PolarHBondContact O-N 3.48Å |
| 87 | V | 59.6 | Low | 56.4 | Low | 87 Ų | 87 | 129 Ų | 129 | 53% | 0.527 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.7 | 169.9 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | I82 | I82-V87 HydrophobicContact CB-CG2 4.32Å; I82-V87 HydrophobicContact CG1-CG1 3.98Å; I82-V87 HydrophobicContact CG1-CG2 3.94Å; I82-V87 HydrophobicContact CG2-CG2 4.05Å |
| 88 | R | 59 | Low | 56.5 | Low | 169 Ų | 169 | 125.5 Ų | 125.5 | 64% | 0.638 | 66% | 0.656 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.5 | 178.4 | -65 | -176.6 | -178.1 | -167.2 | 0.5 | 110.2 | L81 | L81-R88 PolarHBondContact N-O 2.91Å; L81-R88 PolarHBondContact O-N 3.08Å |
| 89 | E | 58.8 | Low | 56.7 | Low | 132 Ų | 132 | 126.2 Ų | 126.2 | 62% | 0.617 | 68% | 0.677 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.5 | 119.3 | 175.5 | -81.8 | 175.9 | 174.5 | 0 | 0 | 110.1 | T78 Q80 | T78-E89 HydrophobicContact CG2-CB 3.93Å; T78-E89 HydrophobicContact CG2-CG 4.33Å; Q80-E89 HydrophobicContact CG-CG 3.55Å; Q80-E89 PolarHBondContact NE2-OE1 3.49Å |
| 90 | L | 60.2 | Low | 56.3 | Low | 107 Ų | 107 | 129.8 Ų | 129.8 | 56% | 0.56 | 69% | 0.691 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108 | 122.4 | 177.4 | -86 | 158.4 | 0 | 0 | 0 | 109.9 | T78 I79 L81 | T78-L90 WeakPolarHBondContact CA-O 3.37Å; T78-L90 WeakPolarHBondContact CG2-O 3.5Å; I79-L90 PolarHBondContact N-O 3.45Å; I79-L90 PolarHBondContact O-N 3.03Å; I79-L90 VanDerWaalsContact O-N 3.13Å; L81-L90 HydrophobicContact CD1-CD1 4.05Å |
| 91 | I | 61.1 | Low | 56 | Low | 113 Ų | 113 | 129.4 Ų | 129.4 | 58% | 0.579 | 70% | 0.701 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 124.4 | 175.7 | -61 | 169.4 | 0 | 0 | 0 | 108 | P76 T78 P93 | P76-I91 HydrophobicContact CB-CG2 4.35Å; T78-I91 HydrophobicContact CG2-CG1 4.08Å; I91-P93 WeakPolarHBondContact O-CD 3.42Å |
| 92 | V | 54.6 | Low | 56 | Low | 73 Ų | 73 | 131.8 Ų | 131.8 | 44% | 0.442 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -80.9 | 121.1 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | E77 I79 T94 | E77-V92 PolarHBondContact O-N 3.15Å; I79-V92 HydrophobicContact CD1-CG2 4.04Å; I79-V92 HydrophobicContact CG1-CG2 4.42Å; V92-T94 PolarHBondContact O-N 3.19Å |
| 93 | P | 55 | Low | 56.3 | Low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 123.2 | 171.8 | -20.1 | 33.5 | 0 | 0 | 0 | 110.8 | I91 E95 | I91-P93 WeakPolarHBondContact O-CD 3.42Å; P93-E95 VanDerWaalsContact C-N 3.32Å |
| 94 | T | 56.4 | Low | 56.9 | Low | 121 Ų | 121 | 132.3 Ų | 132.3 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -83.3 | -1.5 | -177.8 | -40.8 | 0 | 0 | 0 | 0 | 113.7 | V92 | V92-T94 PolarHBondContact O-N 3.19Š|
| 95 | E | 57 | Low | 57.7 | Low | 177 Ų | 177 | 122.8 Ų | 122.8 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -129.3 | 122.8 | -178 | -64.3 | -172.1 | 175 | 0 | 0 | 110.7 | P93 | P93-E95 VanDerWaalsContact C-N 3.32Š|
| 96 | D | 45.4 | Very low | 58.7 | Low | 153 Ų | 153 | 119.9 Ų | 119.9 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | trans | -82.4 | 141.8 | 176.8 | -85.2 | -33.5 | 0 | 0 | 0 | 112 | S98 | D96-S98 PolarHBondContact O-N 3.46Š| ||
| 97 | P | 51.1 | Low | 59.8 | Low | 134 Ų | 134 | 120.9 Ų | 120.9 | 87% | 0.87 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 48.2 | -161.6 | 36.9 | -38.9 | 0 | 0 | 0 | 115.1 | ||
| 98 | S | 53.7 | Low | 60.5 | Low | 93 Ų | 93 | 121 Ų | 121 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | -1.9 | -179.8 | -171 | 0 | 0 | 0 | 0 | 116.5 | D96 E100 | D96-S98 PolarHBondContact O-N 3.46Å; S98-E100 PolarHBondContact O-N 3.05Å |
| 99 | G | 57.2 | Low | 61.4 | Low | 84 Ų | 84 | 118.3 Ų | 118.3 | 87% | 0.866 | 67% | 0.665 | S | S | * | * | trans | 61 | 6.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 100 | E | 54.8 | Low | 62.4 | Low | 182 Ų | 182 | 117.4 Ų | 117.4 | 85% | 0.85 | 66% | 0.66 | S | S | * | * | trans | -127 | 36.9 | -172 | -69.7 | -173.8 | 167.3 | 0 | 0 | 114.7 | S98 | S98-E100 PolarHBondContact O-N 3.05Š| ||
| 101 | S | 48.2 | Very low | 63.5 | Low | 109 Ų | 109 | 119.2 Ų | 119.2 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | trans | -130.7 | 116.6 | 175.2 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 102 | L | 58.3 | Low | 64.2 | Low | 156 Ų | 156 | 118 Ų | 118 | 82% | 0.817 | 65% | 0.653 | S | S | * | * | trans | -90.2 | 114.8 | 179.8 | -164.8 | 85.2 | 0 | 0 | 0 | 110.9 | I104 | L102-I104 HydrophobicContact CD2-CD1 3.98Å; L102-I104 HydrophobicContact CD2-CG1 3.9Å; L102-I104 HydrophobicContact CG-CG1 4.31Å | ||
| 103 | I | 60.3 | Low | 65.1 | Low | 168 Ų | 168 | 120.5 Ų | 120.5 | 86% | 0.862 | 66% | 0.658 | S | S | * | * | trans | -88.3 | 112.8 | 177.6 | -56.2 | 172.5 | 0 | 0 | 0 | 109.2 | ||||
| 104 | I | 71.6 | Confident | 66.1 | Low | 74 Ų | 74 | 124.3 Ų | 124.3 | 38% | 0.379 | 66% | 0.659 | S | S | . | * | trans | -105 | 143.1 | -176.6 | -58.7 | 175.9 | 0 | 0 | 0 | 111.2 | L102 E108 F109 I112 | L102-I104 HydrophobicContact CD2-CD1 3.98Å; L102-I104 HydrophobicContact CD2-CG1 3.9Å; L102-I104 HydrophobicContact CG-CG1 4.31Å; I104-E108 HydrophobicContact CG2-CB 4.05Å; I104-F109 HydrophobicContact CG2-CB 3.97Å; I104-I112 HydrophobicContact CD1-CD1 4.28Å; I104-I112 HydrophobicContact CG2-CD1 4.42Å | ||
| 105 | S | 76.1 | Confident | 67 | Low | 50 Ų | 50 | 122.7 Ų | 122.7 | 35% | 0.35 | 66% | 0.657 | S | S | . | * | trans | -77.4 | 151.6 | 175.5 | 73.6 | 0 | 0 | 0 | 0 | 112.9 | E107 E108 F109 | S105-E107 PolarHBondContact O-N 3.24Å; S105-E108 CarbonylContact O-C 3.51Å; S105-E108 PolarHBondContact O-N 3.4Å; S105-E108 VanDerWaalsContact O-N 3.11Å; S105-E108 WeakPolarHBondContact OG-CB 3.3Å; S105-F109 WeakPolarHBondContact O-CB 3.42Å; S105-F109 PolarHBondContact O-N 2.92Å | ||
| 106 | P | 76 | Confident | 67.5 | Low | 104 Ų | 104 | 118 Ų | 118 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -58.4 | -39.3 | -174.8 | -23.1 | 31.9 | 0 | 0 | 0 | 114.6 | E108 F109 E110 | P106-E108 VanDerWaalsContact C-N 3.35Å; P106-F109 PolarHBondContact O-N 3.39Å; P106-E110 WeakPolarHBondContact O-CB 3.49Å; P106-E110 WeakPolarHBondContact O-CG 3.31Å; P106-E110 PolarHBondContact O-N 2.98Å |
| 107 | E | 80.8 | Confident | 68.6 | Low | 145 Ų | 145 | 114.9 Ų | 114.9 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.6 | -32.2 | 178.5 | -63.3 | 178.7 | -178.2 | 0 | 0 | 112.6 | S105 R111 | S105-E107 PolarHBondContact O-N 3.24Å; E107-R111 WeakPolarHBondContact O-CB 3.43Å; E107-R111 PolarHBondContact O-N 3.22Å; E107-R111 PolarHBondContact O-NE 3.43Å |
| 108 | E | 75.8 | Confident | 69.2 | Low | 90 Ų | 90 | 114.7 Ų | 114.7 | 42% | 0.421 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -80.3 | -33.7 | 177.4 | -151.8 | 142.1 | -121.5 | 0 | 0 | 110.5 | I104 S105 P106 R111 I112 | I104-E108 HydrophobicContact CG2-CB 4.05Å; S105-E108 CarbonylContact O-C 3.51Å; S105-E108 PolarHBondContact O-N 3.4Å; S105-E108 VanDerWaalsContact O-N 3.11Å; S105-E108 WeakPolarHBondContact OG-CB 3.3Å; P106-E108 VanDerWaalsContact C-N 3.35Å; E108-R111 IonicContact OE1-CZ 3.09Å; E108-R111 IonicContact OE1-NH2 3.48Å; E108-R111 PolarHBondContact OE1-NH2 3.43Å; E108-I112 HydrophobicContact CG-CD1 4.47Å; E108-I112 VanDerWaalsContact O-CB 3.25Å; E108-I112 WeakPolarHBondContact O-CB 3.36Å; E108-I112 WeakPolarHBondContact O-CD1 3.4Å; E108-I112 WeakPolarHBondContact O-CG1 3.46Å; E108-I112 PolarHBondContact O-N 2.99Å |
| 109 | F | 76.2 | Confident | 69.6 | Low | 112 Ų | 112 | 113.7 Ų | 113.7 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.3 | -43.9 | 167.1 | 179.8 | -103.3 | 0 | 0 | 0 | 111.3 | I104 S105 P106 I112 K113 | I104-F109 HydrophobicContact CG2-CB 3.97Å; S105-F109 WeakPolarHBondContact O-CB 3.42Å; S105-F109 PolarHBondContact O-N 2.92Å; P106-F109 PolarHBondContact O-N 3.39Å; F109-I112 PolarHBondContact O-N 3.29Å; F109-K113 HydrophobicContact CE1-CD 4.14Å; F109-K113 WeakPolarHBondContact O-CB 3.44Å; F109-K113 PolarHBondContact O-N 2.72Å |
| 110 | E | 81.4 | Confident | 70.2 | Confident | 112 Ų | 112 | 113.1 Ų | 113.1 | 52% | 0.523 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68 | -43.4 | 175.1 | -76.3 | -166.7 | 176.6 | 0 | 0 | 112.2 | P106 I112 K113 W114 | P106-E110 WeakPolarHBondContact O-CB 3.49Å; P106-E110 WeakPolarHBondContact O-CG 3.31Å; P106-E110 PolarHBondContact O-N 2.98Å; E110-I112 VanDerWaalsContact C-N 3.35Å; E110-I112 PolarHBondContact O-N 2.97Å; E110-K113 CarbonylContact O-C 3.57Å; E110-K113 PolarHBondContact O-N 3.06Å; E110-W114 WeakPolarHBondContact O-CB 3.44Å; E110-W114 PolarHBondContact O-N 3.35Å |
| 111 | R | 81.8 | Confident | 71.1 | Confident | 146 Ų | 146 | 114 Ų | 114 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.7 | -45.2 | 172.3 | -90.7 | -177.9 | -63.6 | 174.3 | 10.8 | 111.9 | E107 E108 K113 W114 A115 | E107-R111 WeakPolarHBondContact O-CB 3.43Å; E107-R111 PolarHBondContact O-N 3.22Å; E107-R111 PolarHBondContact O-NE 3.43Å; E108-R111 IonicContact OE1-CZ 3.09Å; E108-R111 IonicContact OE1-NH2 3.48Å; E108-R111 PolarHBondContact OE1-NH2 3.43Å; R111-K113 VanDerWaalsContact C-N 3.34Å; R111-W114 PolarHBondContact O-N 3.48Å; R111-A115 WeakPolarHBondContact O-CB 3.45Å; R111-A115 PolarHBondContact O-N 3.19Å |
| 112 | I | 76 | Confident | 72.5 | Confident | 86 Ų | 86 | 116.3 Ų | 116.3 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.5 | -41.6 | 176.1 | -69.3 | 165.1 | 0 | 0 | 0 | 109.5 | I104 E108 F109 E110 W114 A115 S116 | I104-I112 HydrophobicContact CD1-CD1 4.28Å; I104-I112 HydrophobicContact CG2-CD1 4.42Å; E108-I112 HydrophobicContact CG-CD1 4.47Å; E108-I112 VanDerWaalsContact O-CB 3.25Å; E108-I112 WeakPolarHBondContact O-CB 3.36Å; E108-I112 WeakPolarHBondContact O-CD1 3.4Å; E108-I112 WeakPolarHBondContact O-CG1 3.46Å; E108-I112 PolarHBondContact O-N 2.99Å; F109-I112 PolarHBondContact O-N 3.29Å; E110-I112 VanDerWaalsContact C-N 3.35Å; E110-I112 PolarHBondContact O-N 2.97Å; I112-W114 PolarHBondContact O-N 3.12Å; I112-A115 PolarHBondContact O-N 3.47Å; I112-S116 WeakPolarHBondContact O-CA 3.24Å; I112-S116 WeakPolarHBondContact O-CB 3.48Å; I112-S116 PolarHBondContact O-N 2.99Å; I112-S116 PolarHBondContact O-OG 3.25Å |
| 113 | K | 73.6 | Confident | 73.3 | Confident | 127 Ų | 127 | 112.6 Ų | 112.6 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.2 | -38.5 | 177.1 | -173.5 | 179 | 179.3 | -176.4 | 0 | 112.8 | F109 E110 R111 S116 H117 | F109-K113 HydrophobicContact CE1-CD 4.14Å; F109-K113 WeakPolarHBondContact O-CB 3.44Å; F109-K113 PolarHBondContact O-N 2.72Å; E110-K113 CarbonylContact O-C 3.57Å; E110-K113 PolarHBondContact O-N 3.06Å; R111-K113 VanDerWaalsContact C-N 3.34Å; K113-S116 PolarHBondContact O-OG 3.36Å; K113-H117 WeakPolarHBondContact O-CB 3.48Å; K113-H117 PolarHBondContact O-N 3.33Å; K113-H117 VanDerWaalsContact O-N 3.14Å |
| 114 | W | 77.6 | Confident | 73.9 | Confident | 188 Ų | 188 | 108.6 Ų | 108.6 | 71% | 0.712 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -77.3 | -32.6 | 175 | -72.1 | 117.6 | 0 | 0 | 0 | 112.7 | E110 R111 I112 H117 | E110-W114 WeakPolarHBondContact O-CB 3.44Å; E110-W114 PolarHBondContact O-N 3.35Å; R111-W114 PolarHBondContact O-N 3.48Å; I112-W114 PolarHBondContact O-N 3.12Å; W114-H117 WeakPolarHBondContact O-CB 3.26Å |
| 115 | A | 74.8 | Confident | 74.3 | Confident | 86 Ų | 86 | 109 Ų | 109 | 71% | 0.711 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -80.9 | -29.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | R111 I112 H117 | R111-A115 WeakPolarHBondContact O-CB 3.45Å; R111-A115 PolarHBondContact O-N 3.19Å; I112-A115 PolarHBondContact O-N 3.47Å; A115-H117 VanDerWaalsContact C-N 3.33Å |
| 116 | S | 67.3 | Low | 74.6 | Confident | 78 Ų | 78 | 109.2 Ų | 109.2 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -83.4 | -11.9 | 172.6 | 76 | 0 | 0 | 0 | 0 | 112.3 | I112 K113 V118 | I112-S116 WeakPolarHBondContact O-CA 3.24Å; I112-S116 WeakPolarHBondContact O-CB 3.48Å; I112-S116 PolarHBondContact O-N 2.99Å; I112-S116 PolarHBondContact O-OG 3.25Å; K113-S116 PolarHBondContact O-OG 3.36Å; S116-V118 VanDerWaalsContact C-N 3.32Å; S116-V118 PolarHBondContact O-N 3.34Å |
| 117 | H | 69.1 | Low | 74.7 | Confident | 88 Ų | 88 | 112.9 Ų | 112.9 | 41% | 0.407 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -65.9 | 96.1 | 169.3 | -172.9 | -80.5 | 0 | 0 | 0 | 108.1 | K113 W114 A115 L119 E123 | K113-H117 WeakPolarHBondContact O-CB 3.48Å; K113-H117 PolarHBondContact O-N 3.33Å; K113-H117 VanDerWaalsContact O-N 3.14Å; W114-H117 WeakPolarHBondContact O-CB 3.26Å; A115-H117 VanDerWaalsContact C-N 3.33Å; H117-L119 PolarHBondContact O-N 3.3Å; H117-E123 IonicContact CE1-OE1 2.98Å; H117-E123 IonicContact CE1-OE2 3.95Å |
| 118 | V | 62.7 | Low | 74.7 | Confident | 130 Ų | 130 | 110 Ų | 110 | 79% | 0.788 | 54% | 0.535 | S | S | * | . | trans | -65.9 | 99.8 | 172.9 | 178.2 | 0 | 0 | 0 | 0 | 106.8 | S116 T120 | S116-V118 VanDerWaalsContact C-N 3.32Å; S116-V118 PolarHBondContact O-N 3.34Å; V118-T120 PolarHBondContact O-N 3.36Å | ||
| 119 | L | 63.1 | Low | 75.1 | Confident | 73 Ų | 73 | 110.4 Ų | 110.4 | 38% | 0.382 | 54% | 0.537 | S | S | . | . | trans | -52.2 | 127.4 | 174.8 | -69.5 | 166.8 | 0 | 0 | 0 | 108.4 | H117 E123 L124 | H117-L119 PolarHBondContact O-N 3.3Å; L119-E123 WeakPolarHBondContact CA-OE2 3.31Å; L119-E123 HydrophobicContact CB-CB 4.33Å; L119-E123 HydrophobicContact CD2-CB 4.02Å; L119-L124 HydrophobicContact CB-CD1 4.38Å; L119-L124 HydrophobicContact CB-CG 4.28Å; L119-L124 HydrophobicContact CD1-CG 4.47Å | ||
| 120 | T | 69.8 | Low | 75.5 | Confident | 72 Ų | 72 | 107.7 Ų | 107.7 | 44% | 0.442 | 54% | 0.535 | S | S | . | . | trans | -63.2 | 153.7 | 173.4 | 57.1 | 0 | 0 | 0 | 0 | 108.9 | V118 E122 E123 L124 | V118-T120 PolarHBondContact O-N 3.36Å; T120-E122 PolarHBondContact O-N 2.88Å; T120-E123 PolarHBondContact N-OE2 3Å; T120-E123 PolarHBondContact O-N 3.49Å; T120-E123 VanDerWaalsContact OG1-CD 3.26Å; T120-E123 VanDerWaalsContact OG1-CG 3.28Å; T120-E123 WeakPolarHBondContact OG1-CG 3.46Å; T120-E123 PolarHBondContact OG1-OE2 3.44Å; T120-L124 PolarHBondContact O-N 3.43Å | ||
| 121 | R | 73.8 | Confident | 75.4 | Confident | 199 Ų | 199 | 107.4 Ų | 107.4 | 75% | 0.751 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -51.6 | -35.2 | 179.1 | -175.4 | 178.5 | 173.6 | 168.8 | 3.6 | 111.8 | E125 | R121-E125 WeakPolarHBondContact CG-OE1 3.4Å; R121-E125 IonicContact CZ-OE1 3.99Å; R121-E125 IonicContact NE-OE1 3.5Å; R121-E125 PolarHBondContact NE-OE1 3.33Å; R121-E125 VanDerWaalsContact NE-OE1 3.09Å; R121-E125 WeakPolarHBondContact O-CB 3.37Å; R121-E125 VanDerWaalsContact O-CG 3.28Å; R121-E125 WeakPolarHBondContact O-CG 3.5Å; R121-E125 PolarHBondContact O-N 2.93Å |
| 122 | E | 76.9 | Confident | 75.5 | Confident | 158 Ų | 158 | 107.1 Ų | 107.1 | 74% | 0.738 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.9 | -37.5 | 178 | -61.5 | -178.9 | 177.2 | 0 | 0 | 113.1 | T120 A126 | T120-E122 PolarHBondContact O-N 2.88Å; E122-A126 VanDerWaalsContact O-CB 3.28Å; E122-A126 WeakPolarHBondContact O-CB 3.36Å; E122-A126 PolarHBondContact O-N 3.22Å |
| 123 | E | 75.3 | Confident | 76 | Confident | 78 Ų | 78 | 109.2 Ų | 109.2 | 36% | 0.364 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.3 | -36.1 | 178.7 | -70.8 | 166.7 | 158 | 0 | 0 | 112.5 | H117 L119 T120 A126 R127 | H117-E123 IonicContact CE1-OE1 2.98Å; H117-E123 IonicContact CE1-OE2 3.95Å; L119-E123 WeakPolarHBondContact CA-OE2 3.31Å; L119-E123 HydrophobicContact CB-CB 4.33Å; L119-E123 HydrophobicContact CD2-CB 4.02Å; T120-E123 PolarHBondContact N-OE2 3Å; T120-E123 PolarHBondContact O-N 3.49Å; T120-E123 VanDerWaalsContact OG1-CD 3.26Å; T120-E123 VanDerWaalsContact OG1-CG 3.28Å; T120-E123 WeakPolarHBondContact OG1-CG 3.46Å; T120-E123 PolarHBondContact OG1-OE2 3.44Å; E123-A126 PolarHBondContact O-N 2.95Å; E123-R127 WeakPolarHBondContact O-CB 3.25Å; E123-R127 PolarHBondContact O-N 3.35Å |
| 124 | L | 73.4 | Confident | 76.6 | Confident | 85 Ų | 85 | 109.2 Ų | 109.2 | 45% | 0.445 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 171.4 | -98.3 | 157.5 | 0 | 0 | 0 | 110.9 | L119 T120 A126 R127 D128 | L119-L124 HydrophobicContact CB-CD1 4.38Å; L119-L124 HydrophobicContact CB-CG 4.28Å; L119-L124 HydrophobicContact CD1-CG 4.47Å; T120-L124 PolarHBondContact O-N 3.43Å; L124-A126 VanDerWaalsContact C-N 3.32Å; L124-A126 PolarHBondContact O-N 3.49Å; L124-R127 PolarHBondContact O-N 2.98Å; L124-D128 WeakPolarHBondContact O-CB 3.45Å; L124-D128 PolarHBondContact O-N 2.97Å |
| 125 | E | 79.1 | Confident | 76.9 | Confident | 83 Ų | 83 | 105.1 Ų | 105.1 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 176.1 | -73 | 174.8 | -168.1 | 0 | 0 | 111.3 | R121 D128 Q129 | R121-E125 WeakPolarHBondContact CG-OE1 3.4Å; R121-E125 IonicContact CZ-OE1 3.99Å; R121-E125 IonicContact NE-OE1 3.5Å; R121-E125 PolarHBondContact NE-OE1 3.33Å; R121-E125 VanDerWaalsContact NE-OE1 3.09Å; R121-E125 WeakPolarHBondContact O-CB 3.37Å; R121-E125 VanDerWaalsContact O-CG 3.28Å; R121-E125 WeakPolarHBondContact O-CG 3.5Å; R121-E125 PolarHBondContact O-N 2.93Å; E125-D128 PolarHBondContact O-N 3.43Å; E125-Q129 VanDerWaalsContact O-CB 3.24Å; E125-Q129 WeakPolarHBondContact O-CB 3.19Å; E125-Q129 WeakPolarHBondContact O-CG 3.29Å; E125-Q129 PolarHBondContact O-N 2.86Å |
| 126 | A | 82.3 | Confident | 77.4 | Confident | 54 Ų | 54 | 106.7 Ų | 106.7 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E122 E123 L124 Q129 A130 | E122-A126 VanDerWaalsContact O-CB 3.28Å; E122-A126 WeakPolarHBondContact O-CB 3.36Å; E122-A126 PolarHBondContact O-N 3.22Å; E123-A126 PolarHBondContact O-N 2.95Å; L124-A126 VanDerWaalsContact C-N 3.32Å; L124-A126 PolarHBondContact O-N 3.49Å; A126-Q129 PolarHBondContact O-N 3.19Å; A126-A130 WeakPolarHBondContact O-CB 3.46Å; A126-A130 PolarHBondContact O-N 3.31Å |
| 127 | R | 79.1 | Confident | 78.4 | Confident | 181 Ų | 181 | 105.8 Ų | 105.8 | 68% | 0.683 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.1 | -42.6 | 177.3 | -168 | -179.9 | -176.1 | 122.6 | 0.9 | 112.1 | E123 L124 Q129 A130 F131 | E123-R127 WeakPolarHBondContact O-CB 3.25Å; E123-R127 PolarHBondContact O-N 3.35Å; L124-R127 PolarHBondContact O-N 2.98Å; R127-Q129 VanDerWaalsContact C-N 3.34Å; R127-A130 WeakPolarHBondContact O-CB 3.38Å; R127-A130 PolarHBondContact O-N 3.39Å; R127-F131 WeakPolarHBondContact O-CB 3.44Å; R127-F131 PolarHBondContact O-N 2.99Å |
| 128 | D | 80.2 | Confident | 79.2 | Confident | 85 Ų | 85 | 105.3 Ų | 105.3 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 175.3 | -80.5 | -9.8 | 0 | 0 | 0 | 111.6 | L124 E125 F131 K132 | L124-D128 WeakPolarHBondContact O-CB 3.45Å; L124-D128 PolarHBondContact O-N 2.97Å; E125-D128 PolarHBondContact O-N 3.43Å; D128-F131 PolarHBondContact O-N 3.01Å; D128-K132 WeakPolarHBondContact O-CB 3.22Å; D128-K132 WeakPolarHBondContact O-CG 3.44Å; D128-K132 PolarHBondContact O-N 3.32Å |
| 129 | Q | 83.5 | Confident | 80.3 | Confident | 97 Ų | 97 | 104.7 Ų | 104.7 | 45% | 0.453 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 171.9 | -75.6 | 175.9 | 30.2 | 0 | 0 | 111.6 | E125 A126 R127 K132 K133 | E125-Q129 VanDerWaalsContact O-CB 3.24Å; E125-Q129 WeakPolarHBondContact O-CB 3.19Å; E125-Q129 WeakPolarHBondContact O-CG 3.29Å; E125-Q129 PolarHBondContact O-N 2.86Å; A126-Q129 PolarHBondContact O-N 3.19Å; R127-Q129 VanDerWaalsContact C-N 3.34Å; Q129-K132 PolarHBondContact O-N 3.07Å; Q129-K133 WeakPolarHBondContact O-CB 3.38Å; Q129-K133 WeakPolarHBondContact O-CG 2.96Å; Q129-K133 PolarHBondContact O-N 3.33Å |
| 130 | A | 84.1 | Confident | 81.5 | Confident | 55 Ų | 55 | 105.6 Ų | 105.6 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A126 R127 K133 E134 | A126-A130 WeakPolarHBondContact O-CB 3.46Å; A126-A130 PolarHBondContact O-N 3.31Å; R127-A130 WeakPolarHBondContact O-CB 3.38Å; R127-A130 PolarHBondContact O-N 3.39Å; A130-K133 PolarHBondContact O-N 2.93Å; A130-E134 WeakPolarHBondContact O-CB 3.27Å; A130-E134 PolarHBondContact O-N 3.44Å |
| 131 | F | 80.6 | Confident | 82.5 | Confident | 107 Ų | 107 | 104.8 Ų | 104.8 | 47% | 0.469 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 177 | -174.9 | -113.3 | 0 | 0 | 0 | 113 | R127 D128 E134 K135 | R127-F131 WeakPolarHBondContact O-CB 3.44Å; R127-F131 PolarHBondContact O-N 2.99Å; D128-F131 PolarHBondContact O-N 3.01Å; F131-E134 PolarHBondContact O-N 3.47Å; F131-K135 HydrophobicContact CD1-CD 4.31Å; F131-K135 HydrophobicContact CE1-CD 3.91Å; F131-K135 HydrophobicContact CZ-CD 4.23Å; F131-K135 PolarHBondContact O-N 2.99Å |
| 132 | K | 83.9 | Confident | 83.4 | Confident | 139 Ų | 139 | 99 Ų | 99 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -45.1 | 172.4 | -76.7 | 171.4 | -176.7 | 174.2 | 0 | 111.3 | D128 Q129 E134 K135 E136 | D128-K132 WeakPolarHBondContact O-CB 3.22Å; D128-K132 WeakPolarHBondContact O-CG 3.44Å; D128-K132 PolarHBondContact O-N 3.32Å; Q129-K132 PolarHBondContact O-N 3.07Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3.14Å; K132-K135 PolarHBondContact O-N 2.82Å; K132-E136 WeakPolarHBondContact O-CB 3.41Å; K132-E136 PolarHBondContact O-N 3.34Å |
| 133 | K | 86.6 | Confident | 84 | Confident | 131 Ų | 131 | 96 Ų | 96 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61 | -39.8 | 175.1 | -74.5 | 170.6 | -177.6 | 177 | 0 | 111.7 | Q129 A130 A137 | Q129-K133 WeakPolarHBondContact O-CB 3.38Å; Q129-K133 WeakPolarHBondContact O-CG 2.96Å; Q129-K133 PolarHBondContact O-N 3.33Å; A130-K133 PolarHBondContact O-N 2.93Å; K133-A137 WeakPolarHBondContact O-CB 3.45Å; K133-A137 PolarHBondContact O-N 2.87Å |
| 134 | E | 84.8 | Confident | 84.8 | Confident | 127 Ų | 127 | 95.9 Ų | 95.9 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -47.3 | 175.1 | -171.7 | -178.1 | -179.3 | 0 | 0 | 111.2 | A130 F131 K132 E136 A137 T138 | A130-E134 WeakPolarHBondContact O-CB 3.27Å; A130-E134 PolarHBondContact O-N 3.44Å; F131-E134 PolarHBondContact O-N 3.47Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3.14Å; E134-E136 PolarHBondContact O-N 3Å; E134-A137 PolarHBondContact O-N 3.47Å; E134-T138 WeakPolarHBondContact O-CG2 3.43Å; E134-T138 PolarHBondContact O-N 3.33Å |
| 135 | K | 84.4 | Confident | 85.5 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 44% | 0.443 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 175.2 | -79.2 | -175.5 | 170.2 | 177.4 | 0 | 112.6 | F131 K132 T138 M139 | F131-K135 HydrophobicContact CD1-CD 4.31Å; F131-K135 HydrophobicContact CE1-CD 3.91Å; F131-K135 HydrophobicContact CZ-CD 4.23Å; F131-K135 PolarHBondContact O-N 2.99Å; K132-K135 PolarHBondContact O-N 2.82Å; K135-T138 WeakPolarHBondContact CA-OG1 3.33Å; K135-T138 PolarHBondContact O-N 3.24Å; K135-T138 PolarHBondContact O-OG1 2.87Å; K135-M139 HydrophobicContact CB-CE 4.23Å; K135-M139 WeakPolarHBondContact O-CG 3.38Å; K135-M139 PolarHBondContact O-N 2.9Å |
| 136 | E | 85.9 | Confident | 86.2 | Confident | 119 Ų | 119 | 102.3 Ų | 102.3 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -46 | 177 | -172 | 171.7 | -163.7 | 0 | 0 | 110.9 | K132 E134 T138 M139 D140 | K132-E136 WeakPolarHBondContact O-CB 3.41Å; K132-E136 PolarHBondContact O-N 3.34Å; E134-E136 PolarHBondContact O-N 3Å; E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 2.84Å; E136-M139 PolarHBondContact O-N 2.79Å; E136-M139 VanDerWaalsContact O-N 3.08Å; E136-D140 WeakPolarHBondContact O-CB 3.36Å; E136-D140 PolarHBondContact O-N 3.16Å |
| 137 | A | 88.4 | Confident | 86.7 | Confident | 59 Ų | 59 | 106 Ų | 106 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K133 E134 A141 | K133-A137 WeakPolarHBondContact O-CB 3.45Å; K133-A137 PolarHBondContact O-N 2.87Å; E134-A137 PolarHBondContact O-N 3.47Å; A137-A141 VanDerWaalsContact O-CB 3.32Å; A137-A141 WeakPolarHBondContact O-CB 3.47Å; A137-A141 PolarHBondContact O-N 3.13Å |
| 138 | T | 86 | Confident | 87.3 | Confident | 77 Ų | 77 | 101.1 Ų | 101.1 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 174.5 | 63.6 | 0 | 0 | 0 | 0 | 112.6 | E134 K135 E136 A141 V142 | E134-T138 WeakPolarHBondContact O-CG2 3.43Å; E134-T138 PolarHBondContact O-N 3.33Å; K135-T138 WeakPolarHBondContact CA-OG1 3.33Å; K135-T138 PolarHBondContact O-N 3.24Å; K135-T138 PolarHBondContact O-OG1 2.87Å; E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 2.84Å; T138-A141 PolarHBondContact O-N 3.37Å; T138-V142 WeakPolarHBondContact O-CG2 3.45Å; T138-V142 PolarHBondContact O-N 3.1Å; T138-V142 VanDerWaalsContact O-N 3.08Å |
| 139 | M | 85.8 | Confident | 87.7 | Confident | 118 Ų | 118 | 102.2 Ų | 102.2 | 58% | 0.581 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.9 | -41.3 | 176.6 | -71.2 | -169.6 | -126.8 | 0 | 0 | 111.6 | K135 E136 V142 M143 | K135-M139 HydrophobicContact CB-CE 4.23Å; K135-M139 WeakPolarHBondContact O-CG 3.38Å; K135-M139 PolarHBondContact O-N 2.9Å; E136-M139 PolarHBondContact O-N 2.79Å; E136-M139 VanDerWaalsContact O-N 3.08Å; M139-V142 PolarHBondContact O-N 2.94Å; M139-M143 WeakPolarHBondContact O-CB 3.43Å; M139-M143 WeakPolarHBondContact O-CG 3.49Å; M139-M143 PolarHBondContact O-N 3.21Å |
| 140 | D | 87.8 | Confident | 87.9 | Confident | 91 Ų | 91 | 104.2 Ų | 104.2 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 175.2 | -77 | -17.6 | 0 | 0 | 0 | 111.7 | E136 V142 M143 T144 | E136-D140 WeakPolarHBondContact O-CB 3.36Å; E136-D140 PolarHBondContact O-N 3.16Å; D140-V142 VanDerWaalsContact C-N 3.32Å; D140-V142 PolarHBondContact O-N 3.32Å; D140-M143 PolarHBondContact O-N 2.88Å; D140-T144 WeakPolarHBondContact O-CB 3.48Å; D140-T144 VanDerWaalsContact O-CG2 3.26Å; D140-T144 WeakPolarHBondContact O-CG2 3.4Å; D140-T144 PolarHBondContact O-N 2.91Å; D140-T144 PolarHBondContact O-OG1 2.93Å |
| 141 | A | 91.1 | Very high | 88.1 | Confident | 56 Ų | 56 | 107.2 Ų | 107.2 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A137 T138 T144 R145 | A137-A141 VanDerWaalsContact O-CB 3.32Å; A137-A141 WeakPolarHBondContact O-CB 3.47Å; A137-A141 PolarHBondContact O-N 3.13Å; T138-A141 PolarHBondContact O-N 3.37Å; A141-T144 WeakPolarHBondContact CA-OG1 3.29Å; A141-T144 PolarHBondContact O-OG1 3.01Å; A141-R145 VanDerWaalsContact O-CB 3.32Å; A141-R145 WeakPolarHBondContact O-CB 3.36Å; A141-R145 PolarHBondContact O-N 3.49Å; A141-R145 VanDerWaalsContact O-N 3.1Å |
| 142 | V | 91.6 | Very high | 88.5 | Confident | 76 Ų | 76 | 108.6 Ų | 108.6 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.6 | -41.3 | 175 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | T138 M139 D140 R145 K146 | T138-V142 WeakPolarHBondContact O-CG2 3.45Å; T138-V142 PolarHBondContact O-N 3.1Å; T138-V142 VanDerWaalsContact O-N 3.08Å; M139-V142 PolarHBondContact O-N 2.94Å; D140-V142 VanDerWaalsContact C-N 3.32Å; D140-V142 PolarHBondContact O-N 3.32Å; V142-R145 PolarHBondContact O-N 2.83Å; V142-K146 HydrophobicContact CG1-CD 4.38Å; V142-K146 WeakPolarHBondContact O-CG 3.39Å; V142-K146 PolarHBondContact O-N 3.44Å |
| 143 | M | 90.2 | Very high | 88.7 | Confident | 97 Ų | 97 | 108.1 Ų | 108.1 | 48% | 0.478 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | -179.8 | -75.6 | -64 | -75.1 | 0 | 0 | 112.1 | M139 D140 K146 K147 | M139-M143 WeakPolarHBondContact O-CB 3.43Å; M139-M143 WeakPolarHBondContact O-CG 3.49Å; M139-M143 PolarHBondContact O-N 3.21Å; D140-M143 PolarHBondContact O-N 2.88Å; M143-K146 PolarHBondContact O-N 2.9Å; M143-K146 HydrophobicContact SD-CD 4.44Å; M143-K147 WeakPolarHBondContact O-CG 3.45Å; M143-K147 PolarHBondContact O-N 3.18Å |
| 144 | T | 91.2 | Very high | 88.6 | Confident | 75 Ų | 75 | 107.5 Ų | 107.5 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 171.7 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | D140 A141 K146 K147 I148 | D140-T144 WeakPolarHBondContact O-CB 3.48Å; D140-T144 VanDerWaalsContact O-CG2 3.26Å; D140-T144 WeakPolarHBondContact O-CG2 3.4Å; D140-T144 PolarHBondContact O-N 2.91Å; D140-T144 PolarHBondContact O-OG1 2.93Å; A141-T144 WeakPolarHBondContact CA-OG1 3.29Å; A141-T144 PolarHBondContact O-OG1 3.01Å; T144-K146 PolarHBondContact O-N 3.39Å; T144-K147 PolarHBondContact O-N 3.45Å; T144-I148 WeakPolarHBondContact O-CD1 3.44Å; T144-I148 VanDerWaalsContact O-CG1 3.27Å; T144-I148 WeakPolarHBondContact O-CG1 3.44Å; T144-I148 PolarHBondContact O-N 3.41Å |
| 145 | R | 89 | Confident | 88.6 | Confident | 177 Ų | 177 | 105.5 Ų | 105.5 | 67% | 0.668 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.7 | -42.9 | 173.6 | -174.3 | 175.6 | 179.6 | 167.2 | -0 | 112.7 | A141 V142 I148 M149 | A141-R145 VanDerWaalsContact O-CB 3.32Å; A141-R145 WeakPolarHBondContact O-CB 3.36Å; A141-R145 PolarHBondContact O-N 3.49Å; A141-R145 VanDerWaalsContact O-N 3.1Å; V142-R145 PolarHBondContact O-N 2.83Å; R145-I148 PolarHBondContact O-N 2.99Å; R145-M149 WeakPolarHBondContact O-CB 3.5Å; R145-M149 WeakPolarHBondContact O-CG 3.36Å; R145-M149 PolarHBondContact O-N 3.47Å |
| 146 | K | 93.1 | Very high | 88.5 | Confident | 125 Ų | 125 | 108.8 Ų | 108.8 | 54% | 0.543 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 175 | -77.8 | -179 | 178.8 | 179.5 | 0 | 111.9 | V142 M143 T144 M149 K150 | V142-K146 HydrophobicContact CG1-CD 4.38Å; V142-K146 WeakPolarHBondContact O-CG 3.39Å; V142-K146 PolarHBondContact O-N 3.44Å; M143-K146 PolarHBondContact O-N 2.9Å; M143-K146 HydrophobicContact SD-CD 4.44Å; T144-K146 PolarHBondContact O-N 3.39Å; K146-M149 PolarHBondContact O-N 2.9Å; K146-K150 WeakPolarHBondContact O-CG 3.45Å; K146-K150 PolarHBondContact O-N 2.88Å |
| 147 | K | 92.6 | Very high | 88.2 | Confident | 131 Ų | 131 | 107.8 Ų | 107.8 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 176.1 | -74.8 | 175.3 | -178.3 | 177.1 | 0 | 111.5 | M143 T144 M149 K150 Q151 | M143-K147 WeakPolarHBondContact O-CG 3.45Å; M143-K147 PolarHBondContact O-N 3.18Å; T144-K147 PolarHBondContact O-N 3.45Å; K147-M149 VanDerWaalsContact C-N 3.34Å; K147-M149 PolarHBondContact O-N 3.22Å; K147-K150 PolarHBondContact O-N 2.83Å; K147-Q151 WeakPolarHBondContact O-CG 3.37Å; K147-Q151 PolarHBondContact O-N 3.04Å |
| 148 | I | 91.9 | Very high | 87.8 | Confident | 80 Ų | 80 | 111.1 Ų | 111.1 | 41% | 0.41 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 175.9 | -68.6 | 162 | 0 | 0 | 0 | 110.6 | T144 R145 Q151 K152 | T144-I148 WeakPolarHBondContact O-CD1 3.44Å; T144-I148 VanDerWaalsContact O-CG1 3.27Å; T144-I148 WeakPolarHBondContact O-CG1 3.44Å; T144-I148 PolarHBondContact O-N 3.41Å; R145-I148 PolarHBondContact O-N 2.99Å; I148-Q151 PolarHBondContact O-N 2.86Å; I148-K152 HydrophobicContact CG2-CD 4.05Å; I148-K152 HydrophobicContact CG2-CG 4.42Å; I148-K152 WeakPolarHBondContact O-CB 3.49Å; I148-K152 VanDerWaalsContact O-CG 3.31Å; I148-K152 WeakPolarHBondContact O-CG 3.32Å; I148-K152 PolarHBondContact O-N 3.38Å |
| 149 | M | 88.4 | Confident | 87.5 | Confident | 108 Ų | 108 | 113.3 Ų | 113.3 | 53% | 0.532 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.7 | -44.4 | 177.1 | -76.3 | -60.1 | -147.8 | 0 | 0 | 112.3 | R145 K146 K147 Q151 K152 E153 | R145-M149 WeakPolarHBondContact O-CB 3.5Å; R145-M149 WeakPolarHBondContact O-CG 3.36Å; R145-M149 PolarHBondContact O-N 3.47Å; K146-M149 PolarHBondContact O-N 2.9Å; K147-M149 VanDerWaalsContact C-N 3.34Å; K147-M149 PolarHBondContact O-N 3.22Å; M149-Q151 VanDerWaalsContact C-N 3.35Å; M149-Q151 PolarHBondContact O-N 3.43Å; M149-K152 PolarHBondContact O-N 3.48Å; M149-E153 WeakPolarHBondContact O-CB 3.48Å; M149-E153 PolarHBondContact O-N 3.46Å |
| 150 | K | 88.9 | Confident | 87.3 | Confident | 139 Ų | 139 | 114 Ų | 114 | 60% | 0.604 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62 | -40.5 | 175.6 | -72.9 | -178.2 | 178.3 | -169.7 | 0 | 112.6 | K146 K147 E153 M154 | K146-K150 WeakPolarHBondContact O-CG 3.45Å; K146-K150 PolarHBondContact O-N 2.88Å; K147-K150 PolarHBondContact O-N 2.83Å; K150-E153 PolarHBondContact O-N 2.91Å; K150-M154 WeakPolarHBondContact O-CG 3.28Å; K150-M154 PolarHBondContact O-N 3.43Å |
| 151 | Q | 88.4 | Confident | 86.9 | Confident | 118 Ų | 118 | 118.5 Ų | 118.5 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.4 | -44 | 174.9 | -74.7 | 175.8 | -15.6 | 0 | 0 | 111.4 | K147 I148 M149 E153 M154 V155 | K147-Q151 WeakPolarHBondContact O-CG 3.37Å; K147-Q151 PolarHBondContact O-N 3.04Å; I148-Q151 PolarHBondContact O-N 2.86Å; M149-Q151 VanDerWaalsContact C-N 3.35Å; M149-Q151 PolarHBondContact O-N 3.43Å; Q151-E153 VanDerWaalsContact C-N 3.3Å; Q151-E153 PolarHBondContact O-N 3.25Å; Q151-M154 PolarHBondContact O-N 3.15Å; Q151-V155 WeakPolarHBondContact O-CB 3.32Å; Q151-V155 VanDerWaalsContact O-CG2 3.27Å; Q151-V155 WeakPolarHBondContact O-CG2 3.4Å; Q151-V155 PolarHBondContact O-N 3.27Å |
| 152 | K | 88.1 | Confident | 86.1 | Confident | 135 Ų | 135 | 118.8 Ų | 118.8 | 59% | 0.587 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.1 | -37.9 | 175.1 | -74.3 | 179.1 | 177.8 | -175.1 | 0 | 112.1 | I148 M149 V155 W156 | I148-K152 HydrophobicContact CG2-CD 4.05Å; I148-K152 HydrophobicContact CG2-CG 4.42Å; I148-K152 WeakPolarHBondContact O-CB 3.49Å; I148-K152 VanDerWaalsContact O-CG 3.31Å; I148-K152 WeakPolarHBondContact O-CG 3.32Å; I148-K152 PolarHBondContact O-N 3.38Å; M149-K152 PolarHBondContact O-N 3.48Å; K152-V155 PolarHBondContact O-N 3.39Å; K152-W156 WeakPolarHBondContact O-CB 3.38Å; K152-W156 PolarHBondContact O-N 3.49Å |
| 153 | E | 87.9 | Confident | 85.7 | Confident | 130 Ų | 130 | 118 Ų | 118 | 61% | 0.607 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67 | -43.2 | 176 | -173.4 | 174.8 | -171.2 | 0 | 0 | 112.1 | M149 K150 Q151 W156 N157 | M149-E153 WeakPolarHBondContact O-CB 3.48Å; M149-E153 PolarHBondContact O-N 3.46Å; K150-E153 PolarHBondContact O-N 2.91Å; Q151-E153 VanDerWaalsContact C-N 3.3Å; Q151-E153 PolarHBondContact O-N 3.25Å; E153-W156 PolarHBondContact O-N 3.38Å; E153-N157 WeakPolarHBondContact O-CB 3.32Å; E153-N157 PolarHBondContact O-N 2.82Å |
| 154 | M | 84.5 | Confident | 85.4 | Confident | 118 Ų | 118 | 119.5 Ų | 119.5 | 58% | 0.581 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.8 | -43.6 | 173.6 | -73.9 | -167 | -73.6 | 0 | 0 | 112.2 | K150 Q151 W156 N157 N158 | K150-M154 WeakPolarHBondContact O-CG 3.28Å; K150-M154 PolarHBondContact O-N 3.43Å; Q151-M154 PolarHBondContact O-N 3.15Å; M154-W156 VanDerWaalsContact C-N 3.34Å; M154-N157 PolarHBondContact O-N 2.86Å; M154-N158 WeakPolarHBondContact O-CB 3.4Å; M154-N158 VanDerWaalsContact O-CG 3.25Å; M154-N158 PolarHBondContact O-N 3.35Å; M154-N158 PolarHBondContact O-ND2 2.86Å |
| 155 | V | 85.8 | Confident | 85.2 | Confident | 84 Ų | 84 | 122.7 Ų | 122.7 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.7 | -41.8 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | Q151 K152 N158 N159 | Q151-V155 WeakPolarHBondContact O-CB 3.32Å; Q151-V155 VanDerWaalsContact O-CG2 3.27Å; Q151-V155 WeakPolarHBondContact O-CG2 3.4Å; Q151-V155 PolarHBondContact O-N 3.27Å; K152-V155 PolarHBondContact O-N 3.39Å; V155-N158 PolarHBondContact O-N 3.35Å; V155-N159 VanDerWaalsContact CG1-ND2 3.26Å; V155-N159 WeakPolarHBondContact CG1-ND2 3.28Å; V155-N159 WeakPolarHBondContact O-CB 3.28Å; V155-N159 PolarHBondContact O-N 3Å; V155-N159 PolarHBondContact O-ND2 2.89Å; V155-N159 VanDerWaalsContact O-ND2 3.16Å |
| 156 | W | 81 | Confident | 85 | Confident | 171 Ų | 171 | 119 Ų | 119 | 65% | 0.648 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.9 | -42.2 | 176.6 | -179.7 | 81.5 | 0 | 0 | 0 | 112.1 | K152 E153 M154 N159 K160 | K152-W156 WeakPolarHBondContact O-CB 3.38Å; K152-W156 PolarHBondContact O-N 3.49Å; E153-W156 PolarHBondContact O-N 3.38Å; M154-W156 VanDerWaalsContact C-N 3.34Å; W156-N159 CarbonylContact O-C 3.6Å; W156-N159 PolarHBondContact O-N 3.31Å; W156-K160 PolarHBondContact O-N 2.86Å |
| 157 | N | 81.1 | Confident | 84.7 | Confident | 98 Ų | 98 | 117.1 Ų | 117.1 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.2 | -39.2 | 178.5 | -166.7 | 58.8 | 0 | 0 | 0 | 112.3 | E153 M154 K160 | E153-N157 WeakPolarHBondContact O-CB 3.32Å; E153-N157 PolarHBondContact O-N 2.82Å; M154-N157 PolarHBondContact O-N 2.86Å; N157-K160 VanDerWaalsContact O-CB 3.29Å; N157-K160 WeakPolarHBondContact O-CB 3.32Å; N157-K160 PolarHBondContact O-N 3.34Å |
| 158 | N | 80.1 | Confident | 84.7 | Confident | 130 Ų | 130 | 113.7 Ų | 113.7 | 70% | 0.695 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70 | -34.9 | 175.4 | -70 | -15.3 | 0 | 0 | 0 | 112.6 | M154 V155 K160 | M154-N158 WeakPolarHBondContact O-CB 3.4Å; M154-N158 VanDerWaalsContact O-CG 3.25Å; M154-N158 PolarHBondContact O-N 3.35Å; M154-N158 PolarHBondContact O-ND2 2.86Å; V155-N158 PolarHBondContact O-N 3.35Å; N158-K160 VanDerWaalsContact C-N 3.3Å |
| 159 | N | 78.8 | Confident | 84.6 | Confident | 122 Ų | 122 | 112.5 Ų | 112.5 | 65% | 0.652 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 3.5 | 177.8 | -66.9 | -28.5 | 0 | 0 | 0 | 113.1 | V155 W156 K161 | V155-N159 VanDerWaalsContact CG1-ND2 3.26Å; V155-N159 WeakPolarHBondContact CG1-ND2 3.28Å; V155-N159 WeakPolarHBondContact O-CB 3.28Å; V155-N159 PolarHBondContact O-N 3Å; V155-N159 PolarHBondContact O-ND2 2.89Å; V155-N159 VanDerWaalsContact O-ND2 3.16Å; W156-N159 CarbonylContact O-C 3.6Å; W156-N159 PolarHBondContact O-N 3.31Å; N159-K161 PolarHBondContact O-N 2.91Å; N159-K161 VanDerWaalsContact O-N 3.13Å |
| 160 | K | 82.4 | Confident | 84.7 | Confident | 134 Ų | 134 | 112.1 Ų | 112.1 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 118 | 175 | -173.1 | 177.7 | 177.3 | -175.6 | 0 | 107.3 | W156 N157 N158 | W156-K160 PolarHBondContact O-N 2.86Å; N157-K160 VanDerWaalsContact O-CB 3.29Å; N157-K160 WeakPolarHBondContact O-CB 3.32Å; N157-K160 PolarHBondContact O-N 3.34Å; N158-K160 VanDerWaalsContact C-N 3.3Å |
| 161 | K | 77.8 | Confident | 84.9 | Confident | 184 Ų | 184 | 110.9 Ų | 110.9 | 80% | 0.8 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 142.4 | 175.8 | -66.3 | -175.6 | 178.7 | -176.6 | 0 | 108.9 | N159 | N159-K161 PolarHBondContact O-N 2.91Å; N159-K161 VanDerWaalsContact O-N 3.13Å |
| 162 | L | 74.6 | Confident | 85.1 | Confident | 62 Ų | 62 | 113.9 Ų | 113.9 | 33% | 0.325 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 144.3 | 173.2 | -71.9 | 133.3 | 0 | 0 | 0 | 108.3 | E166 E167 K170 | L162-E166 WeakPolarHBondContact CA-OE2 3.48Å; L162-E166 HydrophobicContact CB-CB 4.12Å; L162-E166 HydrophobicContact CD2-CB 3.91Å; L162-E167 HydrophobicContact CB-CG 3.61Å; L162-K170 HydrophobicContact CD1-CD 4.07Å; L162-K170 HydrophobicContact CD2-CD 4.08Å |
| 163 | S | 82.9 | Confident | 85.4 | Confident | 60 Ų | 60 | 109.9 Ų | 109.9 | 42% | 0.42 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 147.7 | 172.4 | -178 | 0 | 0 | 0 | 0 | 109.3 | L165 E166 E167 | S163-L165 PolarHBondContact O-N 3.29Å; S163-E166 PolarHBondContact N-OE2 3.43Å; S163-E166 CarbonylContact O-C 3.6Å; S163-E166 WeakPolarHBondContact O-CA 3.44Å; S163-E166 WeakPolarHBondContact O-CB 3.47Å; S163-E166 PolarHBondContact O-N 3.28Å; S163-E167 PolarHBondContact O-N 2.87Å |
| 164 | D | 85.4 | Confident | 85.7 | Confident | 128 Ų | 128 | 109 Ų | 109 | 68% | 0.684 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -52 | -33.7 | 178.5 | -59.9 | -11.9 | 0 | 0 | 0 | 111.9 | V168 | D164-V168 VanDerWaalsContact O-CG2 3.28Å; D164-V168 WeakPolarHBondContact O-CG2 3.38Å; D164-V168 PolarHBondContact O-N 3.18Å |
| 165 | L | 85.7 | Confident | 86.2 | Confident | 142 Ų | 142 | 107.9 Ų | 107.9 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.4 | -37.3 | 174.2 | -63.8 | 178.7 | 0 | 0 | 0 | 113 | S163 A169 | S163-L165 PolarHBondContact O-N 3.29Å; L165-A169 VanDerWaalsContact O-CB 3.29Å; L165-A169 WeakPolarHBondContact O-CB 3.35Å; L165-A169 PolarHBondContact O-N 2.97Å |
| 166 | E | 86.2 | Confident | 86.7 | Confident | 99 Ų | 99 | 109.6 Ų | 109.6 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.4 | -35.6 | 177.4 | -65 | 171.5 | 165.3 | 0 | 0 | 111.4 | L162 S163 A169 K170 | L162-E166 WeakPolarHBondContact CA-OE2 3.48Å; L162-E166 HydrophobicContact CB-CB 4.12Å; L162-E166 HydrophobicContact CD2-CB 3.91Å; S163-E166 PolarHBondContact N-OE2 3.43Å; S163-E166 CarbonylContact O-C 3.6Å; S163-E166 WeakPolarHBondContact O-CA 3.44Å; S163-E166 WeakPolarHBondContact O-CB 3.47Å; S163-E166 PolarHBondContact O-N 3.28Å; E166-A169 PolarHBondContact O-N 2.84Å; E166-K170 WeakPolarHBondContact O-CB 3.23Å; E166-K170 VanDerWaalsContact O-CG 3.29Å; E166-K170 WeakPolarHBondContact O-CG 3.35Å; E166-K170 PolarHBondContact O-N 2.89Å |
| 167 | E | 87 | Confident | 87.4 | Confident | 87 Ų | 87 | 106.5 Ų | 106.5 | 41% | 0.407 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.6 | -48.6 | 173.3 | -65.8 | -171.1 | 166.7 | 0 | 0 | 110.9 | L162 S163 A169 K170 E171 | L162-E167 HydrophobicContact CB-CG 3.61Å; S163-E167 PolarHBondContact O-N 2.87Å; E167-A169 VanDerWaalsContact C-N 3.29Å; E167-A169 PolarHBondContact O-N 2.82Å; E167-K170 WeakPolarHBondContact O-CB 3.46Å; E167-K170 PolarHBondContact O-N 3.37Å; E167-K170 VanDerWaalsContact O-N 3.1Å; E167-E171 PolarHBondContact O-N 3.44Å |
| 168 | V | 91.1 | Very high | 88.1 | Confident | 58 Ų | 58 | 106.4 Ų | 106.4 | 35% | 0.352 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | D164 E171 R172 | D164-V168 VanDerWaalsContact O-CG2 3.28Å; D164-V168 WeakPolarHBondContact O-CG2 3.38Å; D164-V168 PolarHBondContact O-N 3.18Å; V168-E171 PolarHBondContact O-N 3.34Å; V168-R172 WeakPolarHBondContact O-CB 3.38Å; V168-R172 VanDerWaalsContact O-CG 3.22Å; V168-R172 WeakPolarHBondContact O-CG 3.32Å; V168-R172 PolarHBondContact O-N 2.86Å |
| 169 | A | 90.8 | Very high | 88.8 | Confident | 55 Ų | 55 | 108.8 Ų | 108.8 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L165 E166 E167 R172 A173 | L165-A169 VanDerWaalsContact O-CB 3.29Å; L165-A169 WeakPolarHBondContact O-CB 3.35Å; L165-A169 PolarHBondContact O-N 2.97Å; E166-A169 PolarHBondContact O-N 2.84Å; E167-A169 VanDerWaalsContact C-N 3.29Å; E167-A169 PolarHBondContact O-N 2.82Å; A169-R172 PolarHBondContact O-N 3.22Å; A169-A173 WeakPolarHBondContact O-CB 3.46Å; A169-A173 PolarHBondContact O-N 3.42Å |
| 170 | K | 90.3 | Very high | 89.6 | Confident | 101 Ų | 101 | 105.3 Ų | 105.3 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 174.9 | -78.4 | 177.9 | 173.6 | -171.5 | 0 | 112.3 | L162 E166 E167 R172 A173 Q174 | L162-K170 HydrophobicContact CD1-CD 4.07Å; L162-K170 HydrophobicContact CD2-CD 4.08Å; E166-K170 WeakPolarHBondContact O-CB 3.23Å; E166-K170 VanDerWaalsContact O-CG 3.29Å; E166-K170 WeakPolarHBondContact O-CG 3.35Å; E166-K170 PolarHBondContact O-N 2.89Å; E167-K170 WeakPolarHBondContact O-CB 3.46Å; E167-K170 PolarHBondContact O-N 3.37Å; E167-K170 VanDerWaalsContact O-N 3.1Å; K170-R172 VanDerWaalsContact C-N 3.34Å; K170-R172 PolarHBondContact O-N 2.87Å; K170-A173 PolarHBondContact O-N 3.45Å; K170-Q174 WeakPolarHBondContact O-CB 3.34Å; K170-Q174 VanDerWaalsContact O-CG 3.3Å; K170-Q174 WeakPolarHBondContact O-CG 3.29Å; K170-Q174 PolarHBondContact O-N 3.41Å |
| 171 | E | 92.7 | Very high | 90.2 | Very high | 113 Ų | 113 | 102.9 Ų | 102.9 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 176.5 | -72.4 | -177 | 171.8 | 0 | 0 | 111.7 | E167 V168 A173 Q174 N175 | E167-E171 PolarHBondContact O-N 3.44Å; V168-E171 PolarHBondContact O-N 3.34Å; E171-A173 PolarHBondContact O-N 3.45Å; E171-Q174 PolarHBondContact O-N 2.84Å; E171-N175 VanDerWaalsContact O-CB 3.29Å; E171-N175 WeakPolarHBondContact O-CB 3.41Å; E171-N175 VanDerWaalsContact O-CG 3.25Å; E171-N175 PolarHBondContact O-N 2.93Å; E171-N175 PolarHBondContact O-ND2 3.21Å |
| 172 | R | 92.8 | Very high | 91 | Very high | 181 Ų | 181 | 100.2 Ų | 100.2 | 68% | 0.683 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.2 | -45.2 | 174.9 | -73.4 | 173.4 | -173.7 | -176 | 5.2 | 111.4 | V168 A169 K170 N175 L176 | V168-R172 WeakPolarHBondContact O-CB 3.38Å; V168-R172 VanDerWaalsContact O-CG 3.22Å; V168-R172 WeakPolarHBondContact O-CG 3.32Å; V168-R172 PolarHBondContact O-N 2.86Å; A169-R172 PolarHBondContact O-N 3.22Å; K170-R172 VanDerWaalsContact C-N 3.34Å; K170-R172 PolarHBondContact O-N 2.87Å; R172-N175 PolarHBondContact O-N 3.21Å; R172-L176 WeakPolarHBondContact O-CB 3.41Å; R172-L176 PolarHBondContact O-N 2.84Å |
| 173 | A | 93.6 | Very high | 91.9 | Very high | 51 Ų | 51 | 101.2 Ų | 101.2 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A169 K170 E171 L176 L177 | A169-A173 WeakPolarHBondContact O-CB 3.46Å; A169-A173 PolarHBondContact O-N 3.42Å; K170-A173 PolarHBondContact O-N 3.45Å; E171-A173 PolarHBondContact O-N 3.45Å; A173-L176 PolarHBondContact O-N 2.88Å; A173-L177 WeakPolarHBondContact O-CB 3.49Å; A173-L177 WeakPolarHBondContact O-CG 3.49Å; A173-L177 PolarHBondContact O-N 2.94Å |
| 174 | Q | 94.6 | Very high | 92.4 | Very high | 111 Ų | 111 | 105.7 Ų | 105.7 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 176.4 | -74.8 | 178.6 | -0.3 | 0 | 0 | 112.2 | K170 E171 L176 L177 Q178 | K170-Q174 WeakPolarHBondContact O-CB 3.34Å; K170-Q174 VanDerWaalsContact O-CG 3.3Å; K170-Q174 WeakPolarHBondContact O-CG 3.29Å; K170-Q174 PolarHBondContact O-N 3.41Å; E171-Q174 PolarHBondContact O-N 2.84Å; Q174-L176 VanDerWaalsContact C-N 3.27Å; Q174-L176 PolarHBondContact O-N 3.42Å; Q174-L177 PolarHBondContact O-N 3.35Å; Q174-Q178 WeakPolarHBondContact O-CB 3.48Å; Q174-Q178 VanDerWaalsContact O-CG 3.27Å; Q174-Q178 WeakPolarHBondContact O-CG 3.3Å; Q174-Q178 PolarHBondContact O-N 2.8Å |
| 175 | N | 95.3 | Very high | 92.7 | Very high | 95 Ų | 95 | 103.3 Ų | 103.3 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 175.6 | -77 | -40 | 0 | 0 | 0 | 111.4 | E171 R172 R179 | E171-N175 VanDerWaalsContact O-CB 3.29Å; E171-N175 WeakPolarHBondContact O-CB 3.41Å; E171-N175 VanDerWaalsContact O-CG 3.25Å; E171-N175 PolarHBondContact O-N 2.93Å; E171-N175 PolarHBondContact O-ND2 3.21Å; R172-N175 PolarHBondContact O-N 3.21Å; N175-R179 VanDerWaalsContact O-CB 3.23Å; N175-R179 WeakPolarHBondContact O-CB 3.41Å; N175-R179 PolarHBondContact O-N 2.91Å |
| 176 | L | 96.3 | Very high | 92.8 | Very high | 119 Ų | 119 | 102.2 Ų | 102.2 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.9 | -46 | 175.3 | -172.6 | 147 | 0 | 0 | 0 | 111.4 | R172 A173 Q174 R179 A180 | R172-L176 WeakPolarHBondContact O-CB 3.41Å; R172-L176 PolarHBondContact O-N 2.84Å; A173-L176 PolarHBondContact O-N 2.88Å; Q174-L176 VanDerWaalsContact C-N 3.27Å; Q174-L176 PolarHBondContact O-N 3.42Å; L176-R179 PolarHBondContact O-N 2.59Å; L176-A180 WeakPolarHBondContact O-CB 3.46Å; L176-A180 PolarHBondContact O-N 2.85Å |
| 177 | L | 95.6 | Very high | 93 | Very high | 106 Ų | 106 | 103.7 Ų | 103.7 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 175.4 | -73.1 | 173.3 | 0 | 0 | 0 | 111.9 | A173 Q174 R179 A180 N181 | A173-L177 WeakPolarHBondContact O-CB 3.49Å; A173-L177 WeakPolarHBondContact O-CG 3.49Å; A173-L177 PolarHBondContact O-N 2.94Å; Q174-L177 PolarHBondContact O-N 3.35Å; L177-R179 VanDerWaalsContact C-N 3.35Å; L177-R179 PolarHBondContact O-N 2.83Å; L177-A180 PolarHBondContact O-N 3.26Å; L177-N181 WeakPolarHBondContact O-CB 3.49Å; L177-N181 VanDerWaalsContact O-CG 3.25Å; L177-N181 PolarHBondContact O-N 3.33Å; L177-N181 PolarHBondContact O-ND2 2.88Å |
| 178 | Q | 95.6 | Very high | 93.3 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 176 | -74.3 | 179.2 | 8.7 | 0 | 0 | 111.5 | Q174 N181 K182 | Q174-Q178 WeakPolarHBondContact O-CB 3.48Å; Q174-Q178 VanDerWaalsContact O-CG 3.27Å; Q174-Q178 WeakPolarHBondContact O-CG 3.3Å; Q174-Q178 PolarHBondContact O-N 2.8Å; Q178-N181 PolarHBondContact O-N 3.33Å; Q178-K182 WeakPolarHBondContact O-CB 3.24Å; Q178-K182 VanDerWaalsContact O-CG 3.29Å; Q178-K182 WeakPolarHBondContact O-CG 3.47Å; Q178-K182 PolarHBondContact O-N 2.86Å |
| 179 | R | 96.2 | Very high | 93.3 | Very high | 179 Ų | 179 | 107.8 Ų | 107.8 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 175.3 | -177.3 | 178.6 | 178.8 | -175.7 | -0.7 | 111.3 | N175 L176 L177 N181 K182 L183 | N175-R179 VanDerWaalsContact O-CB 3.23Å; N175-R179 WeakPolarHBondContact O-CB 3.41Å; N175-R179 PolarHBondContact O-N 2.91Å; L176-R179 PolarHBondContact O-N 2.59Å; L177-R179 VanDerWaalsContact C-N 3.35Å; L177-R179 PolarHBondContact O-N 2.83Å; R179-N181 VanDerWaalsContact C-N 3.34Å; R179-K182 PolarHBondContact O-N 3.22Å; R179-L183 HydrophobicContact CG-CD1 4.33Å; R179-L183 WeakPolarHBondContact O-CG 3.27Å; R179-L183 PolarHBondContact O-N 3.4Å |
| 180 | A | 95.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 112.6 Ų | 112.6 | 41% | 0.405 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L176 L177 L183 R184 | L176-A180 WeakPolarHBondContact O-CB 3.46Å; L176-A180 PolarHBondContact O-N 2.85Å; L177-A180 PolarHBondContact O-N 3.26Å; A180-L183 PolarHBondContact O-N 2.91Å; A180-R184 PolarHBondContact O-N 3.38Å |
| 181 | N | 94.7 | Very high | 93.6 | Very high | 83 Ų | 83 | 111.3 Ų | 111.3 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 175.5 | -73.4 | -19.6 | 0 | 0 | 0 | 111.7 | L177 Q178 R179 L183 R184 M185 | L177-N181 WeakPolarHBondContact O-CB 3.49Å; L177-N181 VanDerWaalsContact O-CG 3.25Å; L177-N181 PolarHBondContact O-N 3.33Å; L177-N181 PolarHBondContact O-ND2 2.88Å; Q178-N181 PolarHBondContact O-N 3.33Å; R179-N181 VanDerWaalsContact C-N 3.34Å; N181-L183 PolarHBondContact O-N 3.48Å; N181-R184 WeakPolarHBondContact O-CB 3.38Å; N181-R184 PolarHBondContact O-N 3.3Å; N181-R184 VanDerWaalsContact O-N 3.12Å; N181-M185 WeakPolarHBondContact O-CG 3.49Å; N181-M185 PolarHBondContact O-N 2.92Å |
| 182 | K | 94.2 | Very high | 93.7 | Very high | 129 Ų | 129 | 111.1 Ų | 111.1 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.5 | -47.6 | 175.8 | -76.1 | 172.8 | -177.5 | 178.3 | 0 | 112.1 | Q178 R179 R184 M185 E186 | Q178-K182 WeakPolarHBondContact O-CB 3.24Å; Q178-K182 VanDerWaalsContact O-CG 3.29Å; Q178-K182 WeakPolarHBondContact O-CG 3.47Å; Q178-K182 PolarHBondContact O-N 2.86Å; R179-K182 PolarHBondContact O-N 3.22Å; K182-R184 PolarHBondContact O-N 3.42Å; K182-M185 PolarHBondContact O-N 3.46Å; K182-E186 WeakPolarHBondContact O-CB 3.4Å; K182-E186 WeakPolarHBondContact O-CG 3.42Å; K182-E186 PolarHBondContact O-N 2.9Å |
| 183 | L | 93.6 | Very high | 93.8 | Very high | 82 Ų | 82 | 107.1 Ų | 107.1 | 43% | 0.429 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -31.9 | 177.2 | -71.6 | 172.3 | 0 | 0 | 0 | 112.6 | R179 A180 N181 Q187 | R179-L183 HydrophobicContact CG-CD1 4.33Å; R179-L183 WeakPolarHBondContact O-CG 3.27Å; R179-L183 PolarHBondContact O-N 3.4Å; A180-L183 PolarHBondContact O-N 2.91Å; N181-L183 PolarHBondContact O-N 3.48Å; L183-Q187 VanDerWaalsContact O-CG 3.32Å; L183-Q187 WeakPolarHBondContact O-CG 3.28Å; L183-Q187 PolarHBondContact O-N 2.86Å; L183-Q187 PolarHBondContact O-NE2 2.84Å |
| 184 | R | 93.2 | Very high | 93.9 | Very high | 155 Ų | 155 | 109.5 Ų | 109.5 | 59% | 0.585 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.3 | -47.5 | 174 | -166.4 | -176 | 73 | 175.4 | 3 | 111 | A180 N181 K182 Q187 | A180-R184 PolarHBondContact O-N 3.38Å; N181-R184 WeakPolarHBondContact O-CB 3.38Å; N181-R184 PolarHBondContact O-N 3.3Å; N181-R184 VanDerWaalsContact O-N 3.12Å; K182-R184 PolarHBondContact O-N 3.42Å; R184-Q187 WeakPolarHBondContact O-CB 3.46Å; R184-Q187 PolarHBondContact O-N 3.46Å; R184-Q187 VanDerWaalsContact O-N 3.14Å |
| 185 | M | 90.9 | Very high | 93.9 | Very high | 77 Ų | 77 | 107.7 Ų | 107.7 | 38% | 0.379 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.6 | -61.8 | -54.3 | -62.5 | 0 | 0 | 111 | N181 K182 Q187 E188 L191 | N181-M185 WeakPolarHBondContact O-CG 3.49Å; N181-M185 PolarHBondContact O-N 2.92Å; K182-M185 PolarHBondContact O-N 3.46Å; M185-Q187 PolarHBondContact O-N 2.92Å; M185-E188 WeakPolarHBondContact CE-OE2 3.39Å; M185-E188 VanDerWaalsContact O-CB 3.22Å; M185-E188 WeakPolarHBondContact O-CB 3.47Å; M185-E188 WeakPolarHBondContact O-CG 3.31Å; M185-E188 PolarHBondContact O-N 2.92Å; M185-L191 HydrophobicContact CB-CD1 3.68Å; M185-L191 HydrophobicContact CE-CD1 4.07Å; M185-L191 WeakPolarHBondContact O-CD1 3.4Å |
| 186 | E | 88.5 | Confident | 93.9 | Very high | 119 Ų | 119 | 109.5 Ų | 109.5 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.2 | -22.8 | 177 | -73.6 | 169.4 | -167 | 0 | 0 | 113.6 | K182 K192 | K182-E186 WeakPolarHBondContact O-CB 3.4Å; K182-E186 WeakPolarHBondContact O-CG 3.42Å; K182-E186 PolarHBondContact O-N 2.9Å; E186-K192 WeakPolarHBondContact O-CG 3.32Å |
| 187 | Q | 91.4 | Very high | 94 | Very high | 131 Ų | 131 | 108.7 Ų | 108.7 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -80.2 | -20.4 | 175.4 | -76.3 | 176.4 | 54.8 | 0 | 0 | 113.6 | L183 R184 M185 K192 | L183-Q187 VanDerWaalsContact O-CG 3.32Å; L183-Q187 WeakPolarHBondContact O-CG 3.28Å; L183-Q187 PolarHBondContact O-N 2.86Å; L183-Q187 PolarHBondContact O-NE2 2.84Å; R184-Q187 WeakPolarHBondContact O-CB 3.46Å; R184-Q187 PolarHBondContact O-N 3.46Å; R184-Q187 VanDerWaalsContact O-N 3.14Å; M185-Q187 PolarHBondContact O-N 2.92Å; Q187-K192 WeakPolarHBondContact O-CE 3.3Å; Q187-K192 PolarHBondContact O-NZ 3.31Å |
| 188 | E | 92.7 | Very high | 94 | Very high | 74 Ų | 74 | 107.8 Ų | 107.8 | 35% | 0.346 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -60.4 | 134 | 176.3 | -61.7 | 173.2 | 177.5 | 0 | 0 | 110 | M185 E190 L191 K192 | M185-E188 WeakPolarHBondContact CE-OE2 3.39Å; M185-E188 VanDerWaalsContact O-CB 3.22Å; M185-E188 WeakPolarHBondContact O-CB 3.47Å; M185-E188 WeakPolarHBondContact O-CG 3.31Å; M185-E188 PolarHBondContact O-N 2.92Å; E188-E190 VanDerWaalsContact C-N 3.32Å; E188-E190 PolarHBondContact O-N 3.38Å; E188-L191 PolarHBondContact O-N 3.41Å; E188-K192 PolarHBondContact O-N 2.83Å; E188-K192 VanDerWaalsContact O-N 3.13Å |
| 189 | E | 91.8 | Very high | 94.1 | Very high | 156 Ų | 156 | 108 Ų | 108 | 73% | 0.729 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | -171.8 | -64.3 | -173.1 | 160.2 | 0 | 0 | 112 | L191 K192 D193 | E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.31Å; E189-K192 WeakPolarHBondContact O-CB 3.48Å; E189-K192 PolarHBondContact O-N 3.1Å; E189-K192 VanDerWaalsContact O-N 3.13Å; E189-D193 PolarHBondContact O-N 3.04Å |
| 190 | E | 93.1 | Very high | 94.2 | Very high | 156 Ų | 156 | 103.1 Ų | 103.1 | 73% | 0.729 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.4 | -42.7 | 176.4 | -60.6 | 179.6 | -178.9 | 0 | 0 | 111.8 | E188 D193 M194 | E188-E190 VanDerWaalsContact C-N 3.32Å; E188-E190 PolarHBondContact O-N 3.38Å; E190-D193 PolarHBondContact O-N 3.19Å; E190-M194 WeakPolarHBondContact O-CB 3.39Å; E190-M194 VanDerWaalsContact O-CG 3.27Å; E190-M194 WeakPolarHBondContact O-CG 3.48Å; E190-M194 PolarHBondContact O-N 3.33Å |
| 191 | L | 93.5 | Very high | 94.3 | Very high | 75 Ų | 75 | 103.4 Ų | 103.4 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.2 | -32 | 178.5 | -74.9 | 177.7 | 0 | 0 | 0 | 112.3 | M185 E188 E189 S195 | M185-L191 HydrophobicContact CB-CD1 3.68Å; M185-L191 HydrophobicContact CE-CD1 4.07Å; M185-L191 WeakPolarHBondContact O-CD1 3.4Å; E188-L191 PolarHBondContact O-N 3.41Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.31Å; L191-S195 VanDerWaalsContact O-CB 3.28Å; L191-S195 WeakPolarHBondContact O-CB 3.43Å; L191-S195 PolarHBondContact O-N 3.31Å |
| 192 | K | 94.5 | Very high | 94.5 | Very high | 108 Ų | 108 | 105.6 Ų | 105.6 | 47% | 0.47 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 170.9 | -71.4 | 172.2 | 176.3 | 153.8 | 0 | 111.8 | E186 Q187 E188 E189 S195 K196 | E186-K192 WeakPolarHBondContact O-CG 3.32Å; Q187-K192 WeakPolarHBondContact O-CE 3.3Å; Q187-K192 PolarHBondContact O-NZ 3.31Å; E188-K192 PolarHBondContact O-N 2.83Å; E188-K192 VanDerWaalsContact O-N 3.13Å; E189-K192 WeakPolarHBondContact O-CB 3.48Å; E189-K192 PolarHBondContact O-N 3.1Å; E189-K192 VanDerWaalsContact O-N 3.13Å; K192-S195 WeakPolarHBondContact O-CB 3.27Å; K192-S195 PolarHBondContact O-N 2.93Å; K192-K196 PolarHBondContact O-N 2.98Å |
| 193 | D | 95.5 | Very high | 94.7 | Very high | 98 Ų | 98 | 102.3 Ų | 102.3 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 176.7 | -77.2 | -19.2 | 0 | 0 | 0 | 111.4 | E189 E190 S195 K196 I197 | E189-D193 PolarHBondContact O-N 3.04Å; E190-D193 PolarHBondContact O-N 3.19Å; D193-S195 VanDerWaalsContact C-N 3.34Å; D193-S195 PolarHBondContact O-N 2.9Å; D193-K196 WeakPolarHBondContact O-CB 3.33Å; D193-K196 PolarHBondContact O-N 3.48Å; D193-I197 WeakPolarHBondContact O-CG1 3.43Å; D193-I197 PolarHBondContact O-N 2.95Å |
| 194 | M | 94.3 | Very high | 94.9 | Very high | 100 Ų | 100 | 103 Ų | 103 | 49% | 0.493 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 172.8 | -69.2 | -55.9 | -66.3 | 0 | 0 | 111.8 | E190 K196 I197 I198 | E190-M194 WeakPolarHBondContact O-CB 3.39Å; E190-M194 VanDerWaalsContact O-CG 3.27Å; E190-M194 WeakPolarHBondContact O-CG 3.48Å; E190-M194 PolarHBondContact O-N 3.33Å; M194-K196 VanDerWaalsContact C-N 3.3Å; M194-K196 PolarHBondContact O-N 2.94Å; M194-I197 PolarHBondContact O-N 3.4Å; M194-I197 HydrophobicContact SD-CD1 4.12Å; M194-I198 VanDerWaalsContact O-CG1 3.26Å; M194-I198 WeakPolarHBondContact O-CG1 3.43Å; M194-I198 PolarHBondContact O-N 2.92Å |
| 195 | S | 94.9 | Very high | 95.2 | Very high | 74 Ų | 74 | 98.4 Ų | 98.4 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 174.3 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | L191 K192 D193 I198 L199 | L191-S195 VanDerWaalsContact O-CB 3.28Å; L191-S195 WeakPolarHBondContact O-CB 3.43Å; L191-S195 PolarHBondContact O-N 3.31Å; K192-S195 WeakPolarHBondContact O-CB 3.27Å; K192-S195 PolarHBondContact O-N 2.93Å; D193-S195 VanDerWaalsContact C-N 3.34Å; D193-S195 PolarHBondContact O-N 2.9Å; S195-I198 PolarHBondContact O-N 3.21Å; S195-L199 WeakPolarHBondContact O-CB 3.36Å; S195-L199 PolarHBondContact O-N 3.48Å |
| 196 | K | 96.2 | Very high | 95.5 | Very high | 133 Ų | 133 | 99.6 Ų | 99.6 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.1 | -42.9 | 174 | -177.9 | -178 | 177.4 | -175.8 | 0 | 112.1 | K192 D193 M194 L199 N200 | K192-K196 PolarHBondContact O-N 2.98Å; D193-K196 WeakPolarHBondContact O-CB 3.33Å; D193-K196 PolarHBondContact O-N 3.48Å; M194-K196 VanDerWaalsContact C-N 3.3Å; M194-K196 PolarHBondContact O-N 2.94Å; K196-L199 PolarHBondContact O-N 2.94Å; K196-N200 WeakPolarHBondContact O-CB 3.43Å; K196-N200 VanDerWaalsContact O-CG 3.3Å; K196-N200 PolarHBondContact O-N 3.29Å; K196-N200 PolarHBondContact O-ND2 3.46Å |
| 197 | I | 97.3 | Very high | 96 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 175.3 | -67.3 | 167.1 | 0 | 0 | 0 | 110.5 | D193 M194 L199 N200 A201 | D193-I197 WeakPolarHBondContact O-CG1 3.43Å; D193-I197 PolarHBondContact O-N 2.95Å; M194-I197 PolarHBondContact O-N 3.4Å; M194-I197 HydrophobicContact SD-CD1 4.12Å; I197-L199 VanDerWaalsContact C-N 3.31Å; I197-L199 PolarHBondContact O-N 3.44Å; I197-N200 PolarHBondContact O-N 3.45Å; I197-A201 WeakPolarHBondContact O-CB 3.41Å; I197-A201 PolarHBondContact O-N 2.93Å |
| 198 | I | 97.1 | Very high | 96.3 | Very high | 88 Ų | 88 | 98.4 Ų | 98.4 | 45% | 0.451 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 176.6 | -68.9 | 165.2 | 0 | 0 | 0 | 110.6 | M194 S195 A201 K202 | M194-I198 VanDerWaalsContact O-CG1 3.26Å; M194-I198 WeakPolarHBondContact O-CG1 3.43Å; M194-I198 PolarHBondContact O-N 2.92Å; S195-I198 PolarHBondContact O-N 3.21Å; I198-A201 PolarHBondContact O-N 2.96Å; I198-K202 HydrophobicContact CG2-CD 4.41Å; I198-K202 WeakPolarHBondContact O-CG 3.48Å; I198-K202 PolarHBondContact O-N 3.03Å |
| 199 | L | 97.7 | Very high | 96.6 | Very high | 102 Ų | 102 | 97.6 Ų | 97.6 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 177 | -178.7 | 61.8 | 0 | 0 | 0 | 111.3 | S195 K196 I197 A201 K202 C203 | S195-L199 WeakPolarHBondContact O-CB 3.36Å; S195-L199 PolarHBondContact O-N 3.48Å; K196-L199 PolarHBondContact O-N 2.94Å; I197-L199 VanDerWaalsContact C-N 3.31Å; I197-L199 PolarHBondContact O-N 3.44Å; L199-A201 VanDerWaalsContact C-N 3.33Å; L199-A201 PolarHBondContact O-N 3.35Å; L199-K202 WeakPolarHBondContact O-CB 3.38Å; L199-K202 PolarHBondContact O-N 2.92Å; L199-C203 PolarHBondContact O-N 2.93Å; L199-C203 PolarHBondContact O-SG 3.12Å; L199-C203 VanDerWaalsContact O-SG 3.34Å |
| 200 | N | 97.8 | Very high | 96.9 | Very high | 75 Ų | 75 | 95.5 Ų | 95.5 | 40% | 0.401 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 176.3 | -73 | -21.9 | 0 | 0 | 0 | 111.5 | K196 I197 K202 C203 H204 | K196-N200 WeakPolarHBondContact O-CB 3.43Å; K196-N200 VanDerWaalsContact O-CG 3.3Å; K196-N200 PolarHBondContact O-N 3.29Å; K196-N200 PolarHBondContact O-ND2 3.46Å; I197-N200 PolarHBondContact O-N 3.45Å; N200-K202 VanDerWaalsContact C-N 3.31Å; N200-K202 PolarHBondContact O-N 3.4Å; N200-C203 WeakPolarHBondContact O-CB 3.37Å; N200-C203 PolarHBondContact O-N 3.44Å; N200-C203 VanDerWaalsContact O-N 3.12Å; N200-H204 PolarHBondContact O-CD2 3.19Å; N200-H204 PolarHBondContact O-N 3.33Å |
| 201 | A | 98.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 91.8 Ų | 91.8 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I197 I198 L199 H204 A205 | I197-A201 WeakPolarHBondContact O-CB 3.41Å; I197-A201 PolarHBondContact O-N 2.93Å; I198-A201 PolarHBondContact O-N 2.96Å; L199-A201 VanDerWaalsContact C-N 3.33Å; L199-A201 PolarHBondContact O-N 3.35Å; A201-H204 PolarHBondContact O-N 2.92Å; A201-A205 WeakPolarHBondContact O-CB 3.43Å; A201-A205 PolarHBondContact O-N 2.63Å |
| 202 | K | 98.1 | Very high | 97.4 | Very high | 129 Ų | 129 | 93.6 Ų | 93.6 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 172.8 | -71.1 | 174.6 | -179 | 179.4 | 0 | 111.8 | I198 L199 N200 H204 A205 I206 | I198-K202 HydrophobicContact CG2-CD 4.41Å; I198-K202 WeakPolarHBondContact O-CG 3.48Å; I198-K202 PolarHBondContact O-N 3.03Å; L199-K202 WeakPolarHBondContact O-CB 3.38Å; L199-K202 PolarHBondContact O-N 2.92Å; N200-K202 VanDerWaalsContact C-N 3.31Å; N200-K202 PolarHBondContact O-N 3.4Å; K202-H204 VanDerWaalsContact C-N 3.34Å; K202-H204 PolarHBondContact O-N 2.94Å; K202-A205 PolarHBondContact O-N 2.94Å; K202-I206 WeakPolarHBondContact O-CG1 3.5Å; K202-I206 PolarHBondContact O-N 3.35Å |
| 203 | C | 98.1 | Very high | 97.6 | Very high | 59 Ų | 59 | 94 Ų | 94 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 176.7 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | L199 N200 I206 R207 | L199-C203 PolarHBondContact O-N 2.93Å; L199-C203 PolarHBondContact O-SG 3.12Å; L199-C203 VanDerWaalsContact O-SG 3.34Å; N200-C203 WeakPolarHBondContact O-CB 3.37Å; N200-C203 PolarHBondContact O-N 3.44Å; N200-C203 VanDerWaalsContact O-N 3.12Å; C203-I206 PolarHBondContact O-N 2.87Å; C203-R207 WeakPolarHBondContact O-CB 3.45Å; C203-R207 PolarHBondContact O-N 3.34Å |
| 204 | H | 98.3 | Very high | 97.7 | Very high | 96 Ų | 96 | 96.8 Ų | 96.8 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 174.9 | -74.9 | -64 | 0 | 0 | 0 | 111.6 | N200 A201 K202 I206 R207 D208 | N200-H204 PolarHBondContact O-CD2 3.19Å; N200-H204 PolarHBondContact O-N 3.33Å; A201-H204 PolarHBondContact O-N 2.92Å; K202-H204 VanDerWaalsContact C-N 3.34Å; K202-H204 PolarHBondContact O-N 2.94Å; H204-I206 VanDerWaalsContact C-N 3.29Å; H204-I206 PolarHBondContact O-N 3.43Å; H204-R207 PolarHBondContact O-N 3.42Å; H204-R207 VanDerWaalsContact O-N 3.08Å; H204-D208 WeakPolarHBondContact O-CB 3.47Å; H204-D208 PolarHBondContact O-N 3.2Å |
| 205 | A | 98.4 | Very high | 97.9 | Very high | 60 Ų | 60 | 96.7 Ų | 96.7 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A201 K202 A209 | A201-A205 WeakPolarHBondContact O-CB 3.43Å; A201-A205 PolarHBondContact O-N 2.63Å; K202-A205 PolarHBondContact O-N 2.94Å; A205-A209 WeakPolarHBondContact O-CB 3.48Å; A205-A209 PolarHBondContact O-N 3.01Å; A205-A209 VanDerWaalsContact O-N 3.09Å |
| 206 | I | 98.3 | Very high | 98 | Very high | 101 Ų | 101 | 98.8 Ų | 98.8 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 175.7 | -66.8 | 166.5 | 0 | 0 | 0 | 110.7 | K202 C203 H204 D208 A209 Q210 | K202-I206 WeakPolarHBondContact O-CG1 3.5Å; K202-I206 PolarHBondContact O-N 3.35Å; C203-I206 PolarHBondContact O-N 2.87Å; H204-I206 VanDerWaalsContact C-N 3.29Å; H204-I206 PolarHBondContact O-N 3.43Å; I206-D208 VanDerWaalsContact C-N 3.34Å; I206-D208 PolarHBondContact O-N 2.91Å; I206-A209 PolarHBondContact O-N 3.05Å; I206-Q210 HydrophobicContact CG2-CG 4.47Å; I206-Q210 WeakPolarHBondContact O-CG 3.41Å; I206-Q210 PolarHBondContact O-N 3.35Å |
| 207 | R | 98.4 | Very high | 98.2 | Very high | 137 Ų | 137 | 96.4 Ų | 96.4 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 178.9 | -177.3 | 179.9 | -64 | 159.8 | 2.9 | 111.6 | C203 H204 A209 Q210 I211 | C203-R207 WeakPolarHBondContact O-CB 3.45Å; C203-R207 PolarHBondContact O-N 3.34Å; H204-R207 PolarHBondContact O-N 3.42Å; H204-R207 VanDerWaalsContact O-N 3.08Å; R207-A209 VanDerWaalsContact C-N 3.35Å; R207-Q210 WeakPolarHBondContact O-CB 3.49Å; R207-Q210 PolarHBondContact O-N 3.06Å; R207-I211 HydrophobicContact CG-CD1 3.95Å; R207-I211 HydrophobicContact CG-CG1 4.45Å; R207-I211 VanDerWaalsContact O-CG1 3.28Å; R207-I211 WeakPolarHBondContact O-CG1 3.33Å; R207-I211 PolarHBondContact O-N 2.92Å |
| 208 | D | 98.6 | Very high | 98.2 | Very high | 89 Ų | 89 | 96 Ų | 96 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 179.6 | -65.6 | -17 | 0 | 0 | 0 | 110.5 | H204 I206 Q210 I211 L212 | H204-D208 WeakPolarHBondContact O-CB 3.47Å; H204-D208 PolarHBondContact O-N 3.2Å; I206-D208 VanDerWaalsContact C-N 3.34Å; I206-D208 PolarHBondContact O-N 2.91Å; D208-Q210 PolarHBondContact O-N 3.32Å; D208-I211 PolarHBondContact O-N 3.36Å; D208-L212 WeakPolarHBondContact O-CG 3.24Å; D208-L212 PolarHBondContact O-N 2.7Å |
| 209 | A | 98.3 | Very high | 98.3 | Very high | 57 Ų | 57 | 98.4 Ų | 98.4 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A205 I206 R207 I211 L212 E213 | A205-A209 WeakPolarHBondContact O-CB 3.48Å; A205-A209 PolarHBondContact O-N 3.01Å; A205-A209 VanDerWaalsContact O-N 3.09Å; I206-A209 PolarHBondContact O-N 3.05Å; R207-A209 VanDerWaalsContact C-N 3.35Å; A209-I211 PolarHBondContact O-N 3.43Å; A209-L212 PolarHBondContact O-N 3.29Å; A209-E213 WeakPolarHBondContact O-CB 3.46Å; A209-E213 PolarHBondContact O-N 3.35Å |
| 210 | Q | 98.4 | Very high | 98.3 | Very high | 112 Ų | 112 | 98.6 Ų | 98.6 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 176.3 | -73.6 | 176.8 | -23.3 | 0 | 0 | 112.9 | I206 R207 D208 E213 K214 | I206-Q210 HydrophobicContact CG2-CG 4.47Å; I206-Q210 WeakPolarHBondContact O-CG 3.41Å; I206-Q210 PolarHBondContact O-N 3.35Å; R207-Q210 WeakPolarHBondContact O-CB 3.49Å; R207-Q210 PolarHBondContact O-N 3.06Å; D208-Q210 PolarHBondContact O-N 3.32Å; Q210-E213 PolarHBondContact O-N 3.47Å; Q210-K214 WeakPolarHBondContact O-CB 3.34Å; Q210-K214 PolarHBondContact O-N 2.98Å |
| 211 | I | 98.4 | Very high | 98.3 | Very high | 78 Ų | 78 | 99.3 Ų | 99.3 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 175.8 | -71.3 | 165.8 | 0 | 0 | 0 | 109.8 | R207 D208 A209 K214 Q215 | R207-I211 HydrophobicContact CG-CD1 3.95Å; R207-I211 HydrophobicContact CG-CG1 4.45Å; R207-I211 VanDerWaalsContact O-CG1 3.28Å; R207-I211 WeakPolarHBondContact O-CG1 3.33Å; R207-I211 PolarHBondContact O-N 2.92Å; D208-I211 PolarHBondContact O-N 3.36Å; A209-I211 PolarHBondContact O-N 3.43Å; I211-K214 PolarHBondContact O-N 3.05Å; I211-Q215 WeakPolarHBondContact O-CB 3.37Å; I211-Q215 VanDerWaalsContact O-CG 3.3Å; I211-Q215 WeakPolarHBondContact O-CG 3.36Å; I211-Q215 PolarHBondContact O-N 2.94Å |
| 212 | L | 98.3 | Very high | 98.3 | Very high | 112 Ų | 112 | 99.3 Ų | 99.3 | 59% | 0.586 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 176.6 | -68.9 | 175.1 | 0 | 0 | 0 | 111.7 | D208 A209 K214 Q215 Q216 | D208-L212 WeakPolarHBondContact O-CG 3.24Å; D208-L212 PolarHBondContact O-N 2.7Å; A209-L212 PolarHBondContact O-N 3.29Å; L212-K214 PolarHBondContact O-N 2.93Å; L212-Q215 PolarHBondContact O-N 3.08Å; L212-Q216 WeakPolarHBondContact O-CB 3.46Å; L212-Q216 PolarHBondContact O-N 2.93Å |
| 213 | E | 98.1 | Very high | 98.3 | Very high | 118 Ų | 118 | 97.4 Ų | 97.4 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.8 | -48 | 175.1 | -175.8 | -178.4 | -177.4 | 0 | 0 | 111.2 | A209 Q210 Q215 Q216 I217 | A209-E213 WeakPolarHBondContact O-CB 3.46Å; A209-E213 PolarHBondContact O-N 3.35Å; Q210-E213 PolarHBondContact O-N 3.47Å; E213-Q215 VanDerWaalsContact C-N 3.34Å; E213-Q215 PolarHBondContact O-N 3.01Å; E213-Q216 PolarHBondContact O-N 3.49Å; E213-Q216 VanDerWaalsContact O-N 3.16Å; E213-I217 HydrophobicContact CG-CD1 3.99Å; E213-I217 WeakPolarHBondContact O-CG1 3.37Å; E213-I217 PolarHBondContact O-N 3.43Å |
| 214 | K | 98.6 | Very high | 98.2 | Very high | 155 Ų | 155 | 98.6 Ų | 98.6 | 67% | 0.674 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.5 | -42.3 | 176.9 | -175.8 | 179.8 | 178.3 | -177.4 | 0 | 112.1 | Q210 I211 L212 Q216 I217 Q218 | Q210-K214 WeakPolarHBondContact O-CB 3.34Å; Q210-K214 PolarHBondContact O-N 2.98Å; I211-K214 PolarHBondContact O-N 3.05Å; L212-K214 PolarHBondContact O-N 2.93Å; K214-Q216 VanDerWaalsContact C-N 3.32Å; K214-I217 PolarHBondContact O-N 3.38Å; K214-Q218 WeakPolarHBondContact O-CB 3.34Å; K214-Q218 PolarHBondContact O-N 3.48Å |
| 215 | Q | 98.3 | Very high | 98.2 | Very high | 99 Ų | 99 | 99.4 Ų | 99.4 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 176.6 | -74.4 | 177 | 9.7 | 0 | 0 | 111.9 | I211 L212 E213 K219 | I211-Q215 WeakPolarHBondContact O-CB 3.37Å; I211-Q215 VanDerWaalsContact O-CG 3.3Å; I211-Q215 WeakPolarHBondContact O-CG 3.36Å; I211-Q215 PolarHBondContact O-N 2.94Å; L212-Q215 PolarHBondContact O-N 3.08Å; E213-Q215 VanDerWaalsContact C-N 3.34Å; E213-Q215 PolarHBondContact O-N 3.01Å; Q215-K219 VanDerWaalsContact O-CG 3.32Å; Q215-K219 WeakPolarHBondContact O-CG 3.3Å; Q215-K219 PolarHBondContact O-N 3.02Å |
| 216 | Q | 98.1 | Very high | 98.1 | Very high | 117 Ų | 117 | 102.6 Ų | 102.6 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66 | -47.7 | 175.8 | -177 | 175.1 | -13.8 | 0 | 0 | 111.2 | L212 E213 K214 Q218 K219 E220 | L212-Q216 WeakPolarHBondContact O-CB 3.46Å; L212-Q216 PolarHBondContact O-N 2.93Å; E213-Q216 PolarHBondContact O-N 3.49Å; E213-Q216 VanDerWaalsContact O-N 3.16Å; K214-Q216 VanDerWaalsContact C-N 3.32Å; Q216-Q218 VanDerWaalsContact C-N 3.29Å; Q216-Q218 PolarHBondContact O-N 3.38Å; Q216-K219 WeakPolarHBondContact O-CB 3.34Å; Q216-K219 PolarHBondContact O-N 2.93Å; Q216-K219 VanDerWaalsContact O-N 3.13Å; Q216-E220 WeakPolarHBondContact CG-OE1 3.37Å; Q216-E220 PolarHBondContact NE2-OE1 3.37Å; Q216-E220 WeakPolarHBondContact O-CG 3.5Å; Q216-E220 PolarHBondContact O-N 3.3Å |
| 217 | I | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 104.8 Ų | 104.8 | 43% | 0.431 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.1 | -44.8 | 175.7 | -67.6 | 166.3 | 0 | 0 | 0 | 110.5 | E213 K214 K219 E220 L221 | E213-I217 HydrophobicContact CG-CD1 3.99Å; E213-I217 WeakPolarHBondContact O-CG1 3.37Å; E213-I217 PolarHBondContact O-N 3.43Å; K214-I217 PolarHBondContact O-N 3.38Å; I217-K219 VanDerWaalsContact C-N 3.34Å; I217-K219 PolarHBondContact O-N 2.93Å; I217-E220 PolarHBondContact O-N 3.24Å; I217-L221 HydrophobicContact CG2-CD1 3.94Å; I217-L221 HydrophobicContact CG2-CG 4.32Å; I217-L221 WeakPolarHBondContact O-CB 3.38Å; I217-L221 WeakPolarHBondContact O-CG 3.48Å; I217-L221 PolarHBondContact O-N 3.19Å |
| 218 | Q | 98.4 | Very high | 98.1 | Very high | 92 Ų | 92 | 102.1 Ų | 102.1 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 177.7 | -172.3 | 64.1 | 47 | 0 | 0 | 111.6 | K214 Q216 E220 L221 D222 | K214-Q218 WeakPolarHBondContact O-CB 3.34Å; K214-Q218 PolarHBondContact O-N 3.48Å; Q216-Q218 VanDerWaalsContact C-N 3.29Å; Q216-Q218 PolarHBondContact O-N 3.38Å; Q218-E220 VanDerWaalsContact C-N 3.35Å; Q218-E220 PolarHBondContact O-N 3.46Å; Q218-L221 PolarHBondContact O-N 3.43Å; Q218-D222 PolarHBondContact NE2-OD1 3.22Å; Q218-D222 WeakPolarHBondContact O-CB 3.34Å; Q218-D222 PolarHBondContact O-N 3.28Å |
| 219 | K | 98.2 | Very high | 98.1 | Very high | 139 Ų | 139 | 102.4 Ų | 102.4 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.1 | -44.5 | 177 | -72.7 | 170.8 | -176.5 | 176.3 | 0 | 111.6 | Q215 Q216 I217 D222 T223 | Q215-K219 VanDerWaalsContact O-CG 3.32Å; Q215-K219 WeakPolarHBondContact O-CG 3.3Å; Q215-K219 PolarHBondContact O-N 3.02Å; Q216-K219 WeakPolarHBondContact O-CB 3.34Å; Q216-K219 PolarHBondContact O-N 2.93Å; Q216-K219 VanDerWaalsContact O-N 3.13Å; I217-K219 VanDerWaalsContact C-N 3.34Å; I217-K219 PolarHBondContact O-N 2.93Å; K219-D222 PolarHBondContact O-N 3.46Å; K219-T223 WeakPolarHBondContact O-CG2 3.4Å; K219-T223 PolarHBondContact O-N 3.19Å; K219-T223 PolarHBondContact O-OG1 3.49Å |
| 220 | E | 97.9 | Very high | 98 | Very high | 106 Ų | 106 | 106 Ų | 106 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 178.3 | -70.9 | 173.3 | -166.8 | 0 | 0 | 111.2 | Q216 I217 Q218 T223 E224 | Q216-E220 WeakPolarHBondContact CG-OE1 3.37Å; Q216-E220 PolarHBondContact NE2-OE1 3.37Å; Q216-E220 WeakPolarHBondContact O-CG 3.5Å; Q216-E220 PolarHBondContact O-N 3.3Å; I217-E220 PolarHBondContact O-N 3.24Å; Q218-E220 VanDerWaalsContact C-N 3.35Å; Q218-E220 PolarHBondContact O-N 3.46Å; E220-T223 WeakPolarHBondContact CA-OG1 3.36Å; E220-T223 PolarHBondContact O-N 2.85Å; E220-T223 PolarHBondContact O-OG1 3.22Å; E220-E224 PolarHBondContact O-N 2.85Å |
| 221 | L | 98.1 | Very high | 97.9 | Very high | 89 Ų | 89 | 105.1 Ų | 105.1 | 47% | 0.466 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 173.1 | -71.9 | 173.3 | 0 | 0 | 0 | 111.8 | I217 Q218 T223 E224 E225 | I217-L221 HydrophobicContact CG2-CD1 3.94Å; I217-L221 HydrophobicContact CG2-CG 4.32Å; I217-L221 WeakPolarHBondContact O-CB 3.38Å; I217-L221 WeakPolarHBondContact O-CG 3.48Å; I217-L221 PolarHBondContact O-N 3.19Å; Q218-L221 PolarHBondContact O-N 3.43Å; L221-T223 PolarHBondContact O-N 2.93Å; L221-E224 PolarHBondContact O-N 3.41Å; L221-E225 WeakPolarHBondContact O-CG 3.37Å; L221-E225 PolarHBondContact O-N 2.99Å |
| 222 | D | 98.1 | Very high | 97.8 | Very high | 57 Ų | 57 | 106.6 Ų | 106.6 | 31% | 0.305 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.3 | -34.9 | 178.6 | -64.5 | -11.8 | 0 | 0 | 0 | 111.7 | Q218 K219 K226 | Q218-D222 PolarHBondContact NE2-OD1 3.22Å; Q218-D222 WeakPolarHBondContact O-CB 3.34Å; Q218-D222 PolarHBondContact O-N 3.28Å; K219-D222 PolarHBondContact O-N 3.46Å; D222-K226 WeakPolarHBondContact O-CB 3.37Å; D222-K226 WeakPolarHBondContact O-CD 3.3Å; D222-K226 VanDerWaalsContact O-CG 3.22Å; D222-K226 WeakPolarHBondContact O-CG 3.48Å; D222-K226 PolarHBondContact O-N 3.07Å; D222-K226 VanDerWaalsContact O-N 3.13Å |
| 223 | T | 97.9 | Very high | 97.8 | Very high | 88 Ų | 88 | 104.6 Ų | 104.6 | 54% | 0.54 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 175.7 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | K219 E220 L221 R227 | K219-T223 WeakPolarHBondContact O-CG2 3.4Å; K219-T223 PolarHBondContact O-N 3.19Å; K219-T223 PolarHBondContact O-OG1 3.49Å; E220-T223 WeakPolarHBondContact CA-OG1 3.36Å; E220-T223 PolarHBondContact O-N 2.85Å; E220-T223 PolarHBondContact O-OG1 3.22Å; L221-T223 PolarHBondContact O-N 2.93Å; T223-R227 PolarHBondContact O-N 3.28Å |
| 224 | E | 96.9 | Very high | 97.8 | Very high | 85 Ų | 85 | 102 Ų | 102 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.7 | -39.2 | 178.3 | -169.8 | 60 | -158.8 | 0 | 0 | 111.2 | E220 L221 K226 R227 L228 | E220-E224 PolarHBondContact O-N 2.85Å; L221-E224 PolarHBondContact O-N 3.41Å; E224-K226 PolarHBondContact O-N 2.9Å; E224-R227 WeakPolarHBondContact O-CB 3.35Å; E224-R227 PolarHBondContact O-N 2.85Å; E224-R227 VanDerWaalsContact O-N 3.11Å; E224-R227 WeakPolarHBondContact OE2-CD 3.44Å; E224-L228 WeakPolarHBondContact O-CG 3.41Å; E224-L228 PolarHBondContact O-N 2.98Å |
| 225 | E | 97.3 | Very high | 97.7 | Very high | 112 Ų | 112 | 100.2 Ų | 100.2 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.4 | -48.5 | 171.5 | -74.1 | -178.6 | 178.1 | 0 | 0 | 111 | L221 R227 L228 D229 | L221-E225 WeakPolarHBondContact O-CG 3.37Å; L221-E225 PolarHBondContact O-N 2.99Å; E225-R227 VanDerWaalsContact C-N 3.28Å; E225-R227 PolarHBondContact O-N 2.91Å; E225-L228 PolarHBondContact O-N 3.47Å; E225-L228 VanDerWaalsContact O-N 3.15Å; E225-D229 PolarHBondContact O-N 3.22Å |
| 226 | K | 98.1 | Very high | 97.7 | Very high | 127 Ų | 127 | 101.9 Ų | 101.9 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60 | -37.6 | 175.2 | -74.5 | 169.8 | -172.5 | 171.3 | 0 | 112.9 | D222 E224 Q230 | D222-K226 WeakPolarHBondContact O-CB 3.37Å; D222-K226 WeakPolarHBondContact O-CD 3.3Å; D222-K226 VanDerWaalsContact O-CG 3.22Å; D222-K226 WeakPolarHBondContact O-CG 3.48Å; D222-K226 PolarHBondContact O-N 3.07Å; D222-K226 VanDerWaalsContact O-N 3.13Å; E224-K226 PolarHBondContact O-N 2.9Å; K226-Q230 VanDerWaalsContact O-CG 3.23Å; K226-Q230 WeakPolarHBondContact O-CG 3.49Å; K226-Q230 PolarHBondContact O-N 3.09Å |
| 227 | R | 98.2 | Very high | 97.6 | Very high | 147 Ų | 147 | 100.5 Ų | 100.5 | 56% | 0.555 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.8 | -43.2 | 176.6 | -179.5 | -170.8 | 173.3 | 151.9 | 0 | 111 | T223 E224 E225 Q230 M231 | T223-R227 PolarHBondContact O-N 3.28Å; E224-R227 WeakPolarHBondContact O-CB 3.35Å; E224-R227 PolarHBondContact O-N 2.85Å; E224-R227 VanDerWaalsContact O-N 3.11Å; E224-R227 WeakPolarHBondContact OE2-CD 3.44Å; E225-R227 VanDerWaalsContact C-N 3.28Å; E225-R227 PolarHBondContact O-N 2.91Å; R227-Q230 PolarHBondContact O-N 3.41Å; R227-M231 PolarHBondContact O-N 3.13Å |
| 228 | L | 97.8 | Very high | 97.6 | Very high | 82 Ų | 82 | 101.8 Ų | 101.8 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 176.8 | -69.6 | 173.5 | 0 | 0 | 0 | 111.3 | E224 E225 Q230 M231 M232 | E224-L228 WeakPolarHBondContact O-CG 3.41Å; E224-L228 PolarHBondContact O-N 2.98Å; E225-L228 PolarHBondContact O-N 3.47Å; E225-L228 VanDerWaalsContact O-N 3.15Å; L228-Q230 VanDerWaalsContact C-N 3.31Å; L228-Q230 PolarHBondContact O-N 2.97Å; L228-M231 WeakPolarHBondContact O-CB 3.32Å; L228-M231 PolarHBondContact O-N 2.78Å; L228-M231 VanDerWaalsContact O-N 3.09Å; L228-M232 WeakPolarHBondContact O-CG 3.43Å; L228-M232 PolarHBondContact O-N 3.37Å |
| 229 | D | 97.7 | Very high | 97.5 | Very high | 94 Ų | 94 | 99.5 Ų | 99.5 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 175.7 | -73.4 | -17.3 | 0 | 0 | 0 | 111.9 | E225 M232 E233 | E225-D229 PolarHBondContact O-N 3.22Å; D229-M232 PolarHBondContact O-N 3.33Å; D229-M232 WeakPolarHBondContact OD1-CE 3.37Å; D229-E233 WeakPolarHBondContact O-CB 3.34Å; D229-E233 PolarHBondContact O-N 2.84Å |
| 230 | Q | 97.8 | Very high | 97.5 | Very high | 132 Ų | 132 | 95.6 Ų | 95.6 | 62% | 0.617 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 174.2 | -72.6 | 169.2 | 17.3 | 0 | 0 | 111.8 | K226 R227 L228 E233 V234 | K226-Q230 VanDerWaalsContact O-CG 3.23Å; K226-Q230 WeakPolarHBondContact O-CG 3.49Å; K226-Q230 PolarHBondContact O-N 3.09Å; R227-Q230 PolarHBondContact O-N 3.41Å; L228-Q230 VanDerWaalsContact C-N 3.31Å; L228-Q230 PolarHBondContact O-N 2.97Å; Q230-E233 PolarHBondContact O-N 3.34Å; Q230-V234 VanDerWaalsContact O-CG2 3.29Å; Q230-V234 WeakPolarHBondContact O-CG2 3.38Å; Q230-V234 PolarHBondContact O-N 3.35Å |
| 231 | M | 96 | Very high | 97.5 | Very high | 94 Ų | 94 | 95.5 Ų | 95.5 | 46% | 0.463 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 177 | -169.9 | -178.4 | -60.1 | 0 | 0 | 111.4 | R227 L228 V234 E235 | R227-M231 PolarHBondContact O-N 3.13Å; L228-M231 WeakPolarHBondContact O-CB 3.32Å; L228-M231 PolarHBondContact O-N 2.78Å; L228-M231 VanDerWaalsContact O-N 3.09Å; M231-V234 PolarHBondContact O-N 3.43Å; M231-E235 WeakPolarHBondContact O-CG 3.46Å; M231-E235 PolarHBondContact O-N 3.19Å |
| 232 | M | 96 | Very high | 97.4 | Very high | 109 Ų | 109 | 98 Ų | 98 | 54% | 0.537 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 176.8 | -71.4 | -170.2 | -68 | 0 | 0 | 112.1 | L228 D229 E235 R236 | L228-M232 WeakPolarHBondContact O-CG 3.43Å; L228-M232 PolarHBondContact O-N 3.37Å; D229-M232 PolarHBondContact O-N 3.33Å; D229-M232 WeakPolarHBondContact OD1-CE 3.37Å; M232-E235 PolarHBondContact O-N 3.15Å; M232-R236 WeakPolarHBondContact O-CB 3.45Å; M232-R236 PolarHBondContact O-N 3.41Å |
| 233 | E | 97.4 | Very high | 97.3 | Very high | 71 Ų | 71 | 100.6 Ų | 100.6 | 33% | 0.332 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 177.4 | 179.3 | 55.4 | -155.9 | 0 | 0 | 111.6 | D229 Q230 E235 R236 Q237 | D229-E233 WeakPolarHBondContact O-CB 3.34Å; D229-E233 PolarHBondContact O-N 2.84Å; Q230-E233 PolarHBondContact O-N 3.34Å; E233-E235 VanDerWaalsContact C-N 3.33Å; E233-E235 PolarHBondContact O-N 3.48Å; E233-R236 WeakPolarHBondContact O-CB 3.46Å; E233-R236 PolarHBondContact O-N 3.49Å; E233-R236 IonicContact OE1-CZ 3.54Å; E233-R236 IonicContact OE1-NE 2.77Å; E233-R236 PolarHBondContact OE1-NE 3.31Å; E233-R236 IonicContact OE1-NH2 3.22Å; E233-R236 PolarHBondContact OE1-NH2 3.03Å; E233-R236 IonicContact OE2-CZ 3.96Å; E233-R236 IonicContact OE2-NE 3.52Å; E233-R236 PolarHBondContact OE2-NE 3.32Å; E233-R236 IonicContact OE2-NH2 2.74Å; E233-R236 PolarHBondContact OE2-NH2 3.34Å; E233-Q237 WeakPolarHBondContact O-CB 3.49Å; E233-Q237 VanDerWaalsContact O-CG 3.29Å; E233-Q237 WeakPolarHBondContact O-CG 3.49Å; E233-Q237 PolarHBondContact O-N 3Å; E233-Q237 PolarHBondContact OE1-NE2 3Å |
| 234 | V | 98.1 | Very high | 97.2 | Very high | 63 Ų | 63 | 102 Ų | 102 | 38% | 0.382 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 173.7 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | Q230 M231 Q237 K238 | Q230-V234 VanDerWaalsContact O-CG2 3.29Å; Q230-V234 WeakPolarHBondContact O-CG2 3.38Å; Q230-V234 PolarHBondContact O-N 3.35Å; M231-V234 PolarHBondContact O-N 3.43Å; V234-Q237 PolarHBondContact O-N 3.34Å; V234-K238 HydrophobicContact CG1-CD 4.11Å; V234-K238 WeakPolarHBondContact O-CB 3.28Å; V234-K238 VanDerWaalsContact O-CG 3.28Å; V234-K238 WeakPolarHBondContact O-CG 3.46Å; V234-K238 PolarHBondContact O-N 2.88Å |
| 235 | E | 97.1 | Very high | 97.2 | Very high | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 175.3 | -74.1 | -172.1 | 173.3 | 0 | 0 | 112.5 | M231 M232 E233 K238 S239 | M231-E235 WeakPolarHBondContact O-CG 3.46Å; M231-E235 PolarHBondContact O-N 3.19Å; M232-E235 PolarHBondContact O-N 3.15Å; E233-E235 VanDerWaalsContact C-N 3.33Å; E233-E235 PolarHBondContact O-N 3.48Å; E235-K238 PolarHBondContact O-N 2.82Å; E235-S239 WeakPolarHBondContact O-CB 3.29Å; E235-S239 PolarHBondContact O-N 2.89Å |
| 236 | R | 98 | Very high | 97.2 | Very high | 134 Ų | 134 | 101.8 Ų | 101.8 | 51% | 0.506 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 173.9 | -167.4 | -172.1 | 75 | 88.2 | 5 | 110.8 | M232 E233 S239 I240 | M232-R236 WeakPolarHBondContact O-CB 3.45Å; M232-R236 PolarHBondContact O-N 3.41Å; E233-R236 WeakPolarHBondContact O-CB 3.46Å; E233-R236 PolarHBondContact O-N 3.49Å; E233-R236 IonicContact OE1-CZ 3.54Å; E233-R236 IonicContact OE1-NE 2.77Å; E233-R236 PolarHBondContact OE1-NE 3.31Å; E233-R236 IonicContact OE1-NH2 3.22Å; E233-R236 PolarHBondContact OE1-NH2 3.03Å; E233-R236 IonicContact OE2-CZ 3.96Å; E233-R236 IonicContact OE2-NE 3.52Å; E233-R236 PolarHBondContact OE2-NE 3.32Å; E233-R236 IonicContact OE2-NH2 2.74Å; E233-R236 PolarHBondContact OE2-NH2 3.34Å; R236-S239 WeakPolarHBondContact O-CB 3.32Å; R236-S239 PolarHBondContact O-N 2.74Å; R236-S239 VanDerWaalsContact O-N 3.14Å; R236-I240 HydrophobicContact CG-CD1 4.36Å; R236-I240 VanDerWaalsContact NH1-CD1 3.34Å; R236-I240 WeakPolarHBondContact O-CG1 3.45Å; R236-I240 PolarHBondContact O-N 3.49Å |
| 237 | Q | 97.3 | Very high | 97.1 | Very high | 88 Ų | 88 | 101.5 Ų | 101.5 | 41% | 0.411 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 177 | -73.4 | 175.2 | 8.3 | 0 | 0 | 112 | E233 V234 S239 I240 Q241 | E233-Q237 WeakPolarHBondContact O-CB 3.49Å; E233-Q237 VanDerWaalsContact O-CG 3.29Å; E233-Q237 WeakPolarHBondContact O-CG 3.49Å; E233-Q237 PolarHBondContact O-N 3Å; E233-Q237 PolarHBondContact OE1-NE2 3Å; V234-Q237 PolarHBondContact O-N 3.34Å; Q237-S239 VanDerWaalsContact C-N 3.25Å; Q237-S239 PolarHBondContact O-N 3.21Å; Q237-I240 PolarHBondContact O-N 2.85Å; Q237-Q241 WeakPolarHBondContact O-CB 3.29Å; Q237-Q241 VanDerWaalsContact O-CG 3.32Å; Q237-Q241 WeakPolarHBondContact O-CG 3.44Å; Q237-Q241 PolarHBondContact O-N 3.02Å |
| 238 | K | 97.8 | Very high | 97.1 | Very high | 112 Ų | 112 | 101.4 Ų | 101.4 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60 | -36.7 | 174.8 | -74.6 | 171.7 | -179.3 | 174.4 | 0 | 112.1 | V234 E235 R242 | V234-K238 HydrophobicContact CG1-CD 4.11Å; V234-K238 WeakPolarHBondContact O-CB 3.28Å; V234-K238 VanDerWaalsContact O-CG 3.28Å; V234-K238 WeakPolarHBondContact O-CG 3.46Å; V234-K238 PolarHBondContact O-N 2.88Å; E235-K238 PolarHBondContact O-N 2.82Å; K238-R242 WeakPolarHBondContact O-CB 3.33Å; K238-R242 WeakPolarHBondContact O-CG 3.49Å; K238-R242 PolarHBondContact O-N 2.99Å; K238-R242 PolarHBondContact O-NE 2.99Å |
| 239 | S | 96.7 | Very high | 97 | Very high | 43 Ų | 43 | 102.7 Ų | 102.7 | 30% | 0.301 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 176 | -165.1 | 0 | 0 | 0 | 0 | 111.7 | E235 R236 Q237 R242 Q243 | E235-S239 WeakPolarHBondContact O-CB 3.29Å; E235-S239 PolarHBondContact O-N 2.89Å; R236-S239 WeakPolarHBondContact O-CB 3.32Å; R236-S239 PolarHBondContact O-N 2.74Å; R236-S239 VanDerWaalsContact O-N 3.14Å; Q237-S239 VanDerWaalsContact C-N 3.25Å; Q237-S239 PolarHBondContact O-N 3.21Å; S239-R242 PolarHBondContact O-N 3.47Å; S239-Q243 WeakPolarHBondContact O-CG 3.34Å; S239-Q243 PolarHBondContact O-N 2.92Å |
| 240 | I | 97.8 | Very high | 97 | Very high | 58 Ų | 58 | 105.9 Ų | 105.9 | 30% | 0.297 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 175.8 | -67.7 | 167.3 | 0 | 0 | 0 | 110.4 | R236 Q237 R242 Q243 E244 | R236-I240 HydrophobicContact CG-CD1 4.36Å; R236-I240 VanDerWaalsContact NH1-CD1 3.34Å; R236-I240 WeakPolarHBondContact O-CG1 3.45Å; R236-I240 PolarHBondContact O-N 3.49Å; Q237-I240 PolarHBondContact O-N 2.85Å; I240-R242 VanDerWaalsContact C-N 3.3Å; I240-R242 PolarHBondContact O-N 3.26Å; I240-Q243 CarbonylContact O-C 3.6Å; I240-Q243 WeakPolarHBondContact O-CA 3.45Å; I240-Q243 WeakPolarHBondContact O-CB 3.23Å; I240-Q243 PolarHBondContact O-N 3.43Å; I240-E244 HydrophobicContact CG2-CG 4.2Å; I240-E244 WeakPolarHBondContact O-CG 3.44Å; I240-E244 PolarHBondContact O-N 3.48Å |
| 241 | Q | 97.8 | Very high | 96.9 | Very high | 104 Ų | 104 | 106.9 Ų | 106.9 | 49% | 0.486 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.4 | -44.2 | 176.5 | -73.1 | 172.6 | 2.1 | 0 | 0 | 111.8 | Q237 Q243 E244 E245 | Q237-Q241 WeakPolarHBondContact O-CB 3.29Å; Q237-Q241 VanDerWaalsContact O-CG 3.32Å; Q237-Q241 WeakPolarHBondContact O-CG 3.44Å; Q237-Q241 PolarHBondContact O-N 3.02Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q241-Q243 PolarHBondContact O-N 3.41Å; Q241-E244 PolarHBondContact O-N 3.39Å; Q241-E245 WeakPolarHBondContact O-CB 3.45Å; Q241-E245 WeakPolarHBondContact O-CG 3.37Å; Q241-E245 PolarHBondContact O-N 3.43Å |
| 242 | R | 96.5 | Very high | 97 | Very high | 140 Ų | 140 | 105.9 Ų | 105.9 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 175.1 | -79.3 | -176.4 | -95 | 112.9 | -7.5 | 112.4 | K238 S239 I240 L246 | K238-R242 WeakPolarHBondContact O-CB 3.33Å; K238-R242 WeakPolarHBondContact O-CG 3.49Å; K238-R242 PolarHBondContact O-N 2.99Å; K238-R242 PolarHBondContact O-NE 2.99Å; S239-R242 PolarHBondContact O-N 3.47Å; I240-R242 VanDerWaalsContact C-N 3.3Å; I240-R242 PolarHBondContact O-N 3.26Å; R242-L246 WeakPolarHBondContact O-CG 3.49Å; R242-L246 PolarHBondContact O-N 2.91Å |
| 243 | Q | 94.9 | Very high | 96.9 | Very high | 113 Ų | 113 | 106.9 Ų | 106.9 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.3 | -45.9 | 176.1 | -71.6 | 177.9 | -4.3 | 0 | 0 | 111.6 | S239 I240 Q241 E245 L246 E247 | S239-Q243 WeakPolarHBondContact O-CG 3.34Å; S239-Q243 PolarHBondContact O-N 2.92Å; I240-Q243 CarbonylContact O-C 3.6Å; I240-Q243 WeakPolarHBondContact O-CA 3.45Å; I240-Q243 WeakPolarHBondContact O-CB 3.23Å; I240-Q243 PolarHBondContact O-N 3.43Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q241-Q243 PolarHBondContact O-N 3.41Å; Q243-E245 VanDerWaalsContact C-N 3.33Å; Q243-E245 PolarHBondContact O-N 2.85Å; Q243-L246 WeakPolarHBondContact O-CB 3.43Å; Q243-L246 PolarHBondContact O-N 3.36Å; Q243-L246 VanDerWaalsContact O-N 3.15Å; Q243-E247 WeakPolarHBondContact O-CG 3.43Å; Q243-E247 PolarHBondContact O-N 2.77Å |
| 244 | E | 96.6 | Very high | 96.9 | Very high | 118 Ų | 118 | 111.8 Ų | 111.8 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.9 | -41.2 | 176.6 | -72.5 | 178 | 173.6 | 0 | 0 | 111.9 | I240 Q241 L246 E247 R248 | I240-E244 HydrophobicContact CG2-CG 4.2Å; I240-E244 WeakPolarHBondContact O-CG 3.44Å; I240-E244 PolarHBondContact O-N 3.48Å; Q241-E244 PolarHBondContact O-N 3.39Å; E244-L246 PolarHBondContact O-N 2.98Å; E244-E247 PolarHBondContact O-N 3.35Å; E244-R248 VanDerWaalsContact O-CB 3.3Å; E244-R248 WeakPolarHBondContact O-CB 3.45Å; E244-R248 PolarHBondContact O-N 2.88Å |
| 245 | E | 97.4 | Very high | 96.8 | Very high | 98 Ų | 98 | 112.4 Ų | 112.4 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 174.8 | -77.4 | 179.5 | -178.5 | 0 | 0 | 112.3 | Q241 Q243 R248 K249 | Q241-E245 WeakPolarHBondContact O-CB 3.45Å; Q241-E245 WeakPolarHBondContact O-CG 3.37Å; Q241-E245 PolarHBondContact O-N 3.43Å; Q243-E245 VanDerWaalsContact C-N 3.33Å; Q243-E245 PolarHBondContact O-N 2.85Å; E245-R248 PolarHBondContact O-N 3.28Å; E245-K249 WeakPolarHBondContact O-CG 3.39Å; E245-K249 PolarHBondContact O-N 3.14Å |
| 246 | L | 96.3 | Very high | 96.8 | Very high | 94 Ų | 94 | 114.4 Ų | 114.4 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 175.4 | -72.2 | 171.7 | 0 | 0 | 0 | 111.3 | R242 Q243 E244 R248 K249 R250 | R242-L246 WeakPolarHBondContact O-CG 3.49Å; R242-L246 PolarHBondContact O-N 2.91Å; Q243-L246 WeakPolarHBondContact O-CB 3.43Å; Q243-L246 PolarHBondContact O-N 3.36Å; Q243-L246 VanDerWaalsContact O-N 3.15Å; E244-L246 PolarHBondContact O-N 2.98Å; L246-R248 VanDerWaalsContact C-N 3.32Å; L246-R248 PolarHBondContact O-N 2.85Å; L246-K249 PolarHBondContact O-N 3.05Å; L246-R250 WeakPolarHBondContact O-CG 3.4Å; L246-R250 PolarHBondContact O-N 2.84Å |
| 247 | E | 96.5 | Very high | 96.8 | Very high | 121 Ų | 121 | 109.4 Ų | 109.4 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.8 | -38.3 | 175.4 | -72.3 | -169.6 | 175.3 | 0 | 0 | 112.2 | Q243 E244 R250 R251 | Q243-E247 WeakPolarHBondContact O-CG 3.43Å; Q243-E247 PolarHBondContact O-N 2.77Å; E244-E247 PolarHBondContact O-N 3.35Å; E247-R250 PolarHBondContact O-N 2.87Å; E247-R251 WeakPolarHBondContact O-CB 3.48Å; E247-R251 PolarHBondContact O-N 3.45Å |
| 248 | R | 97.5 | Very high | 96.8 | Very high | 145 Ų | 145 | 114.2 Ų | 114.2 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 174.8 | -165.1 | -175.2 | 79.4 | -162.2 | -5.2 | 110.6 | E244 E245 L246 R250 R251 E252 | E244-R248 VanDerWaalsContact O-CB 3.3Å; E244-R248 WeakPolarHBondContact O-CB 3.45Å; E244-R248 PolarHBondContact O-N 2.88Å; E245-R248 PolarHBondContact O-N 3.28Å; L246-R248 VanDerWaalsContact C-N 3.32Å; L246-R248 PolarHBondContact O-N 2.85Å; R248-R250 PolarHBondContact O-N 3.15Å; R248-R251 WeakPolarHBondContact O-CB 3.34Å; R248-R251 PolarHBondContact O-N 3.09Å; R248-R251 VanDerWaalsContact O-N 3.13Å; R248-E252 IonicContact NE-OE1 3.41Å; R248-E252 PolarHBondContact NE-OE1 3.07Å; R248-E252 WeakPolarHBondContact O-CG 3.46Å; R248-E252 PolarHBondContact O-N 3.31Å |
| 249 | K | 96.9 | Very high | 96.7 | Very high | 109 Ų | 109 | 117.4 Ų | 117.4 | 47% | 0.474 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 175.4 | -72.3 | 175.7 | -175.6 | 177.7 | 0 | 111.8 | E245 L246 R251 E252 E253 | E245-K249 WeakPolarHBondContact O-CG 3.39Å; E245-K249 PolarHBondContact O-N 3.14Å; L246-K249 PolarHBondContact O-N 3.05Å; K249-R251 VanDerWaalsContact C-N 3.29Å; K249-R251 PolarHBondContact O-N 3.39Å; K249-E252 WeakPolarHBondContact O-CB 3.19Å; K249-E252 PolarHBondContact O-N 3.11Å; K249-E253 WeakPolarHBondContact O-CG 3.22Å; K249-E253 PolarHBondContact O-N 3.45Å |
| 250 | R | 96.5 | Very high | 96.7 | Very high | 160 Ų | 160 | 121.1 Ų | 121.1 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -35.4 | 175.4 | -69.3 | 179 | -167.7 | 176.2 | 4.4 | 112.7 | L246 E247 R248 R254 | L246-R250 WeakPolarHBondContact O-CG 3.4Å; L246-R250 PolarHBondContact O-N 2.84Å; E247-R250 PolarHBondContact O-N 2.87Å; R248-R250 PolarHBondContact O-N 3.15Å; R250-R254 WeakPolarHBondContact O-CG 3.48Å; R250-R254 PolarHBondContact O-N 3.26Å; R250-R254 VanDerWaalsContact O-N 3.09Å; R250-R254 PolarHBondContact O-NE 3.47Å |
| 251 | R | 96.9 | Very high | 96.7 | Very high | 153 Ų | 153 | 123 Ų | 123 | 58% | 0.577 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.9 | -44.8 | 175 | -175.9 | -177.5 | -67.9 | -175 | 0.3 | 110.7 | E247 R248 K249 E253 R254 I255 | E247-R251 WeakPolarHBondContact O-CB 3.48Å; E247-R251 PolarHBondContact O-N 3.45Å; R248-R251 WeakPolarHBondContact O-CB 3.34Å; R248-R251 PolarHBondContact O-N 3.09Å; R248-R251 VanDerWaalsContact O-N 3.13Å; K249-R251 VanDerWaalsContact C-N 3.29Å; K249-R251 PolarHBondContact O-N 3.39Å; R251-E253 VanDerWaalsContact C-N 3.34Å; R251-E253 PolarHBondContact O-N 3.38Å; R251-R254 PolarHBondContact O-N 3.05Å; R251-I255 HydrophobicContact CG-CD1 4.01Å; R251-I255 VanDerWaalsContact O-CG1 3.3Å; R251-I255 WeakPolarHBondContact O-CG1 3.45Å; R251-I255 PolarHBondContact O-N 3.13Å |
| 252 | E | 96.3 | Very high | 96.7 | Very high | 74 Ų | 74 | 120.4 Ų | 120.4 | 35% | 0.346 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 175.9 | -72.2 | 170.4 | -155.8 | 0 | 0 | 111.4 | R248 K249 I255 R256 | R248-E252 IonicContact NE-OE1 3.41Å; R248-E252 PolarHBondContact NE-OE1 3.07Å; R248-E252 WeakPolarHBondContact O-CG 3.46Å; R248-E252 PolarHBondContact O-N 3.31Å; K249-E252 WeakPolarHBondContact O-CB 3.19Å; K249-E252 PolarHBondContact O-N 3.11Å; E252-I255 PolarHBondContact O-N 3.07Å; E252-R256 WeakPolarHBondContact O-CG 3.42Å; E252-R256 PolarHBondContact O-N 3.23Å |
| 253 | E | 95.6 | Very high | 96.7 | Very high | 129 Ų | 129 | 118.3 Ų | 118.3 | 60% | 0.603 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 174.7 | -73.7 | 173.1 | 173.2 | 0 | 0 | 112.1 | K249 R251 I255 R256 G257 | K249-E253 WeakPolarHBondContact O-CG 3.22Å; K249-E253 PolarHBondContact O-N 3.45Å; R251-E253 VanDerWaalsContact C-N 3.34Å; R251-E253 PolarHBondContact O-N 3.38Å; E253-I255 VanDerWaalsContact C-N 3.31Å; E253-I255 PolarHBondContact O-N 3.02Å; E253-R256 PolarHBondContact O-N 3.27Å; E253-G257 PolarHBondContact O-N 2.84Å |
| 254 | R | 96.2 | Very high | 96.9 | Very high | 175 Ų | 175 | 118.6 Ų | 118.6 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.3 | -40.3 | 174.4 | -76.3 | -174.5 | -71.2 | 169 | -5.3 | 112.4 | R250 R251 R258 | R250-R254 WeakPolarHBondContact O-CG 3.48Å; R250-R254 PolarHBondContact O-N 3.26Å; R250-R254 VanDerWaalsContact O-N 3.09Å; R250-R254 PolarHBondContact O-NE 3.47Å; R251-R254 PolarHBondContact O-N 3.05Å; R254-R258 WeakPolarHBondContact O-CB 3.38Å; R254-R258 PolarHBondContact O-N 2.96Å |
| 255 | I | 96.9 | Very high | 96.8 | Very high | 75 Ų | 75 | 118.1 Ų | 118.1 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 176.6 | -68.5 | 166.2 | 0 | 0 | 0 | 110.5 | R251 E252 E253 R258 R259 | R251-I255 HydrophobicContact CG-CD1 4.01Å; R251-I255 VanDerWaalsContact O-CG1 3.3Å; R251-I255 WeakPolarHBondContact O-CG1 3.45Å; R251-I255 PolarHBondContact O-N 3.13Å; E252-I255 PolarHBondContact O-N 3.07Å; E253-I255 VanDerWaalsContact C-N 3.31Å; E253-I255 PolarHBondContact O-N 3.02Å; I255-R258 PolarHBondContact O-N 2.7Å; I255-R259 WeakPolarHBondContact O-CG 3.48Å; I255-R259 PolarHBondContact O-N 3.37Å |
| 256 | R | 97.3 | Very high | 96.8 | Very high | 160 Ų | 160 | 118.4 Ų | 118.4 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -47.6 | 175.3 | -71.5 | 176.7 | -170.1 | -164.4 | 4.5 | 111.3 | E252 E253 R258 R259 Q260 | E252-R256 WeakPolarHBondContact O-CG 3.42Å; E252-R256 PolarHBondContact O-N 3.23Å; E253-R256 PolarHBondContact O-N 3.27Å; R256-R258 PolarHBondContact O-N 2.96Å; R256-R259 WeakPolarHBondContact O-CB 3.32Å; R256-R259 PolarHBondContact O-N 2.83Å; R256-Q260 WeakPolarHBondContact O-CG 3.41Å; R256-Q260 PolarHBondContact O-N 2.8Å |
| 257 | G | 97 | Very high | 96.9 | Very high | 28 Ų | 28 | 119.2 Ų | 119.2 | 29% | 0.289 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E253 R259 Q260 I261 | E253-G257 PolarHBondContact O-N 2.84Å; G257-R259 PolarHBondContact O-N 3.34Å; G257-Q260 PolarHBondContact O-N 3Å; G257-I261 WeakPolarHBondContact O-CG1 3.33Å; G257-I261 PolarHBondContact O-N 3.4Å |
| 258 | R | 97.2 | Very high | 96.9 | Very high | 189 Ų | 189 | 117.6 Ų | 117.6 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.6 | -45.2 | 173.9 | -178.8 | -177.7 | 176.3 | -169.1 | -0.7 | 112 | R254 I255 R256 Q260 I261 V262 | R254-R258 WeakPolarHBondContact O-CB 3.38Å; R254-R258 PolarHBondContact O-N 2.96Å; I255-R258 PolarHBondContact O-N 2.7Å; R256-R258 PolarHBondContact O-N 2.96Å; R258-Q260 VanDerWaalsContact C-N 3.34Å; R258-Q260 PolarHBondContact O-N 3.16Å; R258-I261 PolarHBondContact O-N 3.37Å; R258-V262 HydrophobicContact CG-CG2 4.49Å; R258-V262 WeakPolarHBondContact O-CG2 3.47Å; R258-V262 PolarHBondContact O-N 2.86Å |
| 259 | R | 96.3 | Very high | 96.9 | Very high | 179 Ų | 179 | 117.3 Ų | 117.3 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.9 | -44.3 | 178.6 | -74.8 | 177.1 | -173.5 | -170.2 | 1.5 | 111.5 | I255 R256 G257 I261 V262 E263 | I255-R259 WeakPolarHBondContact O-CG 3.48Å; I255-R259 PolarHBondContact O-N 3.37Å; R256-R259 WeakPolarHBondContact O-CB 3.32Å; R256-R259 PolarHBondContact O-N 2.83Å; G257-R259 PolarHBondContact O-N 3.34Å; R259-I261 VanDerWaalsContact C-N 3.34Å; R259-I261 PolarHBondContact O-N 2.89Å; R259-V262 PolarHBondContact O-N 3.07Å; R259-E263 PolarHBondContact O-N 2.88Å |
| 260 | Q | 97.1 | Very high | 96.8 | Very high | 121 Ų | 121 | 117.8 Ų | 117.8 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 177 | -71.1 | 175.2 | -6.6 | 0 | 0 | 112.2 | R256 G257 R258 E263 Q264 | R256-Q260 WeakPolarHBondContact O-CG 3.41Å; R256-Q260 PolarHBondContact O-N 2.8Å; G257-Q260 PolarHBondContact O-N 3Å; R258-Q260 VanDerWaalsContact C-N 3.34Å; R258-Q260 PolarHBondContact O-N 3.16Å; Q260-E263 PolarHBondContact O-N 3.43Å; Q260-Q264 WeakPolarHBondContact O-CG 3.49Å; Q260-Q264 PolarHBondContact O-N 3.13Å |
| 261 | I | 97.4 | Very high | 96.8 | Very high | 97 Ų | 97 | 115.5 Ų | 115.5 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.8 | -65.3 | 166.4 | 0 | 0 | 0 | 110.8 | G257 R258 R259 Q264 M265 | G257-I261 WeakPolarHBondContact O-CG1 3.33Å; G257-I261 PolarHBondContact O-N 3.4Å; R258-I261 PolarHBondContact O-N 3.37Å; R259-I261 VanDerWaalsContact C-N 3.34Å; R259-I261 PolarHBondContact O-N 2.89Å; I261-Q264 PolarHBondContact O-N 2.9Å; I261-M265 HydrophobicContact CG2-CE 4.38Å; I261-M265 WeakPolarHBondContact O-CG 3.48Å; I261-M265 PolarHBondContact O-N 2.93Å |
| 262 | V | 97.4 | Very high | 96.8 | Very high | 51 Ų | 51 | 117.2 Ų | 117.2 | 31% | 0.309 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | R258 R259 Q264 M265 E266 | R258-V262 HydrophobicContact CG-CG2 4.49Å; R258-V262 WeakPolarHBondContact O-CG2 3.47Å; R258-V262 PolarHBondContact O-N 2.86Å; R259-V262 PolarHBondContact O-N 3.07Å; V262-Q264 VanDerWaalsContact C-N 3.29Å; V262-Q264 PolarHBondContact O-N 3.27Å; V262-M265 HydrophobicContact CB-CE 4.32Å; V262-M265 HydrophobicContact CG2-CE 3.91Å; V262-M265 WeakPolarHBondContact O-CB 3.41Å; V262-M265 PolarHBondContact O-N 3.48Å; V262-M265 VanDerWaalsContact O-N 3.08Å; V262-E266 WeakPolarHBondContact O-CG 3.47Å; V262-E266 PolarHBondContact O-N 2.91Å |
| 263 | E | 97.6 | Very high | 96.8 | Very high | 95 Ų | 95 | 116.3 Ų | 116.3 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.3 | -38.4 | 176.5 | -170.9 | -171.6 | 162.3 | 0 | 0 | 112 | R259 Q260 E266 K267 | R259-E263 PolarHBondContact O-N 2.88Å; Q260-E263 PolarHBondContact O-N 3.43Å; E263-E266 PolarHBondContact O-N 3.45Å; E263-K267 WeakPolarHBondContact O-CG 3.34Å; E263-K267 PolarHBondContact O-N 3.36Å; E263-K267 WeakPolarHBondContact OE1-CE 3.47Å; E263-K267 IonicContact OE1-NZ 2.7Å; E263-K267 PolarHBondContact OE1-NZ 2.94Å |
| 264 | Q | 97.6 | Very high | 96.8 | Very high | 119 Ų | 119 | 114.7 Ų | 114.7 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.6 | -39.9 | 173.6 | -74.8 | 176.8 | -13.7 | 0 | 0 | 112.4 | Q260 I261 V262 N268 | Q260-Q264 WeakPolarHBondContact O-CG 3.49Å; Q260-Q264 PolarHBondContact O-N 3.13Å; I261-Q264 PolarHBondContact O-N 2.9Å; V262-Q264 VanDerWaalsContact C-N 3.29Å; V262-Q264 PolarHBondContact O-N 3.27Å; Q264-N268 WeakPolarHBondContact O-CB 3.33Å; Q264-N268 PolarHBondContact O-N 3.09Å; Q264-N268 PolarHBondContact O-ND2 2.94Å; Q264-N268 PolarHBondContact O-OD1 3.23Å |
| 265 | M | 95.6 | Very high | 96.8 | Very high | 109 Ų | 109 | 110.2 Ų | 110.2 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176 | -71.6 | -172.6 | -61.7 | 0 | 0 | 111.5 | I261 V262 N268 Q269 | I261-M265 HydrophobicContact CG2-CE 4.38Å; I261-M265 WeakPolarHBondContact O-CG 3.48Å; I261-M265 PolarHBondContact O-N 2.93Å; V262-M265 HydrophobicContact CB-CE 4.32Å; V262-M265 HydrophobicContact CG2-CE 3.91Å; V262-M265 WeakPolarHBondContact O-CB 3.41Å; V262-M265 PolarHBondContact O-N 3.48Å; V262-M265 VanDerWaalsContact O-N 3.08Å; M265-N268 PolarHBondContact O-N 3.47Å; M265-Q269 WeakPolarHBondContact O-CB 3.49Å; M265-Q269 PolarHBondContact O-N 3.47Å |
| 266 | E | 97.4 | Very high | 96.7 | Very high | 104 Ų | 104 | 108.1 Ų | 108.1 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -50.6 | 175.9 | -72.5 | 171.8 | 175.6 | 0 | 0 | 110.8 | V262 E263 N268 Q269 E270 | V262-E266 WeakPolarHBondContact O-CG 3.47Å; V262-E266 PolarHBondContact O-N 2.91Å; E263-E266 PolarHBondContact O-N 3.45Å; E266-N268 PolarHBondContact O-N 3.5Å; E266-Q269 WeakPolarHBondContact O-CA 3.3Å; E266-Q269 WeakPolarHBondContact O-CB 3.5Å; E266-Q269 PolarHBondContact O-N 3.3Å; E266-E270 WeakPolarHBondContact O-CG 3.49Å; E266-E270 PolarHBondContact O-N 3.26Å |
| 267 | K | 97.6 | Very high | 96.6 | Very high | 111 Ų | 111 | 105.2 Ų | 105.2 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 176.6 | -73.1 | 175.6 | -174.2 | 169.3 | 0 | 113 | E263 Q269 E270 E271 | E263-K267 WeakPolarHBondContact O-CG 3.34Å; E263-K267 PolarHBondContact O-N 3.36Å; E263-K267 WeakPolarHBondContact OE1-CE 3.47Å; E263-K267 IonicContact OE1-NZ 2.7Å; E263-K267 PolarHBondContact OE1-NZ 2.94Å; K267-Q269 VanDerWaalsContact C-N 3.28Å; K267-Q269 PolarHBondContact O-N 3.01Å; K267-E270 PolarHBondContact O-N 2.88Å; K267-E271 WeakPolarHBondContact O-CB 3.46Å; K267-E271 PolarHBondContact O-N 3.39Å |
| 268 | N | 97.6 | Very high | 96.5 | Very high | 86 Ų | 86 | 108.8 Ų | 108.8 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -33.6 | 177.1 | -71 | -12 | 0 | 0 | 0 | 111.9 | Q264 M265 E266 R272 | Q264-N268 WeakPolarHBondContact O-CB 3.33Å; Q264-N268 PolarHBondContact O-N 3.09Å; Q264-N268 PolarHBondContact O-ND2 2.94Å; Q264-N268 PolarHBondContact O-OD1 3.23Å; M265-N268 PolarHBondContact O-N 3.47Å; E266-N268 PolarHBondContact O-N 3.5Å; N268-R272 WeakPolarHBondContact O-CB 3.49Å; N268-R272 VanDerWaalsContact O-CG 3.24Å; N268-R272 WeakPolarHBondContact O-CG 3.46Å; N268-R272 PolarHBondContact O-N 3.5Å |
| 269 | Q | 95.8 | Very high | 96.4 | Very high | 140 Ų | 140 | 107.5 Ų | 107.5 | 65% | 0.654 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70 | -43 | 176.1 | -176.7 | 173.4 | -4.5 | 0 | 0 | 111 | M265 E266 K267 R272 S273 | M265-Q269 WeakPolarHBondContact O-CB 3.49Å; M265-Q269 PolarHBondContact O-N 3.47Å; E266-Q269 WeakPolarHBondContact O-CA 3.3Å; E266-Q269 WeakPolarHBondContact O-CB 3.5Å; E266-Q269 PolarHBondContact O-N 3.3Å; K267-Q269 VanDerWaalsContact C-N 3.28Å; K267-Q269 PolarHBondContact O-N 3.01Å; Q269-R272 PolarHBondContact O-N 3.36Å; Q269-S273 PolarHBondContact O-N 3.3Å |
| 270 | E | 95.9 | Very high | 96.3 | Very high | 118 Ų | 118 | 105 Ų | 105 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.9 | -48.7 | 173.1 | -71.1 | 172.8 | 178.4 | 0 | 0 | 111 | E266 K267 R272 S273 L274 | E266-E270 WeakPolarHBondContact O-CG 3.49Å; E266-E270 PolarHBondContact O-N 3.26Å; K267-E270 PolarHBondContact O-N 2.88Å; E270-R272 VanDerWaalsContact C-N 3.32Å; E270-R272 PolarHBondContact O-N 2.86Å; E270-S273 WeakPolarHBondContact CA-OG 3.49Å; E270-S273 PolarHBondContact O-N 3.08Å; E270-S273 PolarHBondContact O-OG 3.4Å; E270-L274 WeakPolarHBondContact O-CG 3.37Å; E270-L274 PolarHBondContact O-N 2.94Å |
| 271 | E | 96.7 | Very high | 96.2 | Very high | 112 Ų | 112 | 104.3 Ų | 104.3 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 176.9 | -172.8 | -179.6 | -174.6 | 0 | 0 | 112 | K267 S273 L274 L275 | K267-E271 WeakPolarHBondContact O-CB 3.46Å; K267-E271 PolarHBondContact O-N 3.39Å; E271-S273 VanDerWaalsContact C-N 3.32Å; E271-S273 PolarHBondContact O-N 2.82Å; E271-L274 PolarHBondContact O-N 3.36Å; E271-L275 HydrophobicContact CG-CD1 4.25Å; E271-L275 WeakPolarHBondContact O-CB 3.28Å; E271-L275 WeakPolarHBondContact O-CG 3.33Å; E271-L275 PolarHBondContact O-N 2.87Å |
| 272 | R | 96.9 | Very high | 96 | Very high | 189 Ų | 189 | 105.6 Ų | 105.6 | 71% | 0.713 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -38 | 174.6 | -76.6 | 173.6 | -176.5 | -169.4 | 2 | 112.7 | N268 Q269 E270 A276 | N268-R272 WeakPolarHBondContact O-CB 3.49Å; N268-R272 VanDerWaalsContact O-CG 3.24Å; N268-R272 WeakPolarHBondContact O-CG 3.46Å; N268-R272 PolarHBondContact O-N 3.5Å; Q269-R272 PolarHBondContact O-N 3.36Å; E270-R272 VanDerWaalsContact C-N 3.32Å; E270-R272 PolarHBondContact O-N 2.86Å; R272-A276 WeakPolarHBondContact O-CB 3.33Å; R272-A276 PolarHBondContact O-N 3.03Å |
| 273 | S | 95.3 | Very high | 96 | Very high | 55 Ų | 55 | 109.5 Ų | 109.5 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 176.5 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | Q269 E270 E271 L275 A276 E277 | Q269-S273 PolarHBondContact O-N 3.3Å; E270-S273 WeakPolarHBondContact CA-OG 3.49Å; E270-S273 PolarHBondContact O-N 3.08Å; E270-S273 PolarHBondContact O-OG 3.4Å; E271-S273 VanDerWaalsContact C-N 3.32Å; E271-S273 PolarHBondContact O-N 2.82Å; S273-L275 VanDerWaalsContact C-N 3.35Å; S273-L275 PolarHBondContact O-N 3.48Å; S273-A276 WeakPolarHBondContact O-CA 3.36Å; S273-A276 WeakPolarHBondContact O-CB 3.45Å; S273-A276 PolarHBondContact O-N 2.97Å; S273-E277 WeakPolarHBondContact O-CG 3.43Å; S273-E277 PolarHBondContact O-N 3.19Å |
| 274 | L | 96.5 | Very high | 95.8 | Very high | 96 Ų | 96 | 110.4 Ų | 110.4 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.9 | -67.8 | 171.4 | 0 | 0 | 0 | 111.9 | E270 E271 A276 E277 Q278 | E270-L274 WeakPolarHBondContact O-CG 3.37Å; E270-L274 PolarHBondContact O-N 2.94Å; E271-L274 PolarHBondContact O-N 3.36Å; L274-A276 VanDerWaalsContact C-N 3.28Å; L274-A276 PolarHBondContact O-N 3.36Å; L274-E277 PolarHBondContact O-N 3.48Å; L274-Q278 WeakPolarHBondContact O-CG 3.27Å; L274-Q278 PolarHBondContact O-N 2.91Å |
| 275 | L | 95.9 | Very high | 95.7 | Very high | 80 Ų | 80 | 110.6 Ų | 110.6 | 42% | 0.419 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68 | -25.7 | 175.2 | -71.6 | 172 | 0 | 0 | 0 | 113.2 | E271 S273 R279 | E271-L275 HydrophobicContact CG-CD1 4.25Å; E271-L275 WeakPolarHBondContact O-CB 3.28Å; E271-L275 WeakPolarHBondContact O-CG 3.33Å; E271-L275 PolarHBondContact O-N 2.87Å; S273-L275 VanDerWaalsContact C-N 3.35Å; S273-L275 PolarHBondContact O-N 3.48Å; L275-R279 WeakPolarHBondContact O-CG 3.26Å; L275-R279 PolarHBondContact O-N 3.44Å; L275-R279 PolarHBondContact O-NE 3.37Å; L275-R279 VanDerWaalsContact O-NE 3.12Å |
| 276 | A | 95.7 | Very high | 95.5 | Very high | 32 Ų | 32 | 111.5 Ų | 111.5 | 26% | 0.264 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.5 | -45.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R272 S273 L274 Q278 R279 E280 | R272-A276 WeakPolarHBondContact O-CB 3.33Å; R272-A276 PolarHBondContact O-N 3.03Å; S273-A276 WeakPolarHBondContact O-CA 3.36Å; S273-A276 WeakPolarHBondContact O-CB 3.45Å; S273-A276 PolarHBondContact O-N 2.97Å; L274-A276 VanDerWaalsContact C-N 3.28Å; L274-A276 PolarHBondContact O-N 3.36Å; A276-Q278 VanDerWaalsContact C-N 3.34Å; A276-Q278 PolarHBondContact O-N 3.03Å; A276-R279 PolarHBondContact O-N 3.25Å; A276-E280 PolarHBondContact O-N 2.87Å |
| 277 | E | 94.8 | Very high | 95.4 | Very high | 99 Ų | 99 | 111.4 Ų | 111.4 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 175.2 | -70.2 | 176.2 | -177 | 0 | 0 | 111.8 | S273 L274 R279 E280 Q281 | S273-E277 WeakPolarHBondContact O-CG 3.43Å; S273-E277 PolarHBondContact O-N 3.19Å; L274-E277 PolarHBondContact O-N 3.48Å; E277-R279 PolarHBondContact O-N 2.85Å; E277-E280 PolarHBondContact O-N 2.94Å; E277-Q281 WeakPolarHBondContact O-CG 3.39Å; E277-Q281 PolarHBondContact O-N 3.12Å |
| 278 | Q | 94.9 | Very high | 95.3 | Very high | 103 Ų | 103 | 111.4 Ų | 111.4 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 175.6 | -74.8 | 176.3 | 5.6 | 0 | 0 | 112.3 | L274 A276 E280 Q281 E282 | L274-Q278 WeakPolarHBondContact O-CG 3.27Å; L274-Q278 PolarHBondContact O-N 2.91Å; A276-Q278 VanDerWaalsContact C-N 3.34Å; A276-Q278 PolarHBondContact O-N 3.03Å; Q278-E280 VanDerWaalsContact C-N 3.31Å; Q278-E280 PolarHBondContact O-N 3.43Å; Q278-Q281 PolarHBondContact O-N 2.87Å; Q278-E282 WeakPolarHBondContact O-CG 3.39Å; Q278-E282 PolarHBondContact O-N 3.21Å |
| 279 | R | 95 | Very high | 95.1 | Very high | 162 Ų | 162 | 114 Ų | 114 | 61% | 0.611 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.2 | -33.8 | 176.6 | -76.1 | -177.7 | -67.1 | 140.6 | -0.8 | 112.6 | L275 A276 E277 K283 | L275-R279 WeakPolarHBondContact O-CG 3.26Å; L275-R279 PolarHBondContact O-N 3.44Å; L275-R279 PolarHBondContact O-NE 3.37Å; L275-R279 VanDerWaalsContact O-NE 3.12Å; A276-R279 PolarHBondContact O-N 3.25Å; E277-R279 PolarHBondContact O-N 2.85Å; R279-K283 VanDerWaalsContact O-CB 3.27Å; R279-K283 WeakPolarHBondContact O-CB 3.5Å; R279-K283 PolarHBondContact O-N 3.33Å |
| 280 | E | 94.5 | Very high | 95 | Very high | 125 Ų | 125 | 111 Ų | 111 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -43.9 | 173.6 | -76 | -176.7 | 170.2 | 0 | 0 | 111 | A276 E277 Q278 E282 K283 E284 | A276-E280 PolarHBondContact O-N 2.87Å; E277-E280 PolarHBondContact O-N 2.94Å; Q278-E280 VanDerWaalsContact C-N 3.31Å; Q278-E280 PolarHBondContact O-N 3.43Å; E280-E282 PolarHBondContact O-N 2.92Å; E280-K283 WeakPolarHBondContact O-CB 3.39Å; E280-K283 PolarHBondContact O-N 3.34Å; E280-E284 WeakPolarHBondContact O-CG 3.28Å; E280-E284 PolarHBondContact O-N 3.41Å |
| 281 | Q | 93.7 | Very high | 94.9 | Very high | 108 Ų | 108 | 111 Ų | 111 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 174.2 | -70 | 174.5 | 9 | 0 | 0 | 112.3 | E277 Q278 K283 E284 Q285 | E277-Q281 WeakPolarHBondContact O-CG 3.39Å; E277-Q281 PolarHBondContact O-N 3.12Å; Q278-Q281 PolarHBondContact O-N 2.87Å; Q281-K283 VanDerWaalsContact C-N 3.3Å; Q281-K283 PolarHBondContact O-N 3.39Å; Q281-E284 PolarHBondContact O-N 3.19Å; Q281-Q285 VanDerWaalsContact O-CG 3.31Å; Q281-Q285 WeakPolarHBondContact O-CG 3.29Å; Q281-Q285 PolarHBondContact O-N 2.89Å |
| 282 | E | 94.6 | Very high | 94.8 | Very high | 123 Ų | 123 | 111 Ų | 111 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.7 | -39.6 | 175.2 | -73 | 176.6 | 178.1 | 0 | 0 | 112 | Q278 E280 Q285 M286 | Q278-E282 WeakPolarHBondContact O-CG 3.39Å; Q278-E282 PolarHBondContact O-N 3.21Å; E280-E282 PolarHBondContact O-N 2.92Å; E282-Q285 PolarHBondContact O-N 2.9Å; E282-M286 WeakPolarHBondContact O-CB 3.47Å; E282-M286 PolarHBondContact O-N 3.42Å |
| 283 | K | 96 | Very high | 94.6 | Very high | 134 Ų | 134 | 105.1 Ų | 105.1 | 58% | 0.583 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 176.2 | -179.5 | -172.3 | 171.9 | -166.1 | 0 | 111.2 | R279 E280 Q281 M286 L287 | R279-K283 VanDerWaalsContact O-CB 3.27Å; R279-K283 WeakPolarHBondContact O-CB 3.5Å; R279-K283 PolarHBondContact O-N 3.33Å; E280-K283 WeakPolarHBondContact O-CB 3.39Å; E280-K283 PolarHBondContact O-N 3.34Å; Q281-K283 VanDerWaalsContact C-N 3.3Å; Q281-K283 PolarHBondContact O-N 3.39Å; K283-M286 PolarHBondContact O-N 2.91Å; K283-L287 HydrophobicContact CG-CD1 4.26Å; K283-L287 VanDerWaalsContact O-CG 3.3Å; K283-L287 WeakPolarHBondContact O-CG 3.12Å; K283-L287 PolarHBondContact O-N 3.2Å |
| 284 | E | 94.2 | Very high | 94.4 | Very high | 114 Ų | 114 | 108.5 Ų | 108.5 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 175.4 | -74.9 | 176.3 | 172.6 | 0 | 0 | 110.8 | E280 Q281 M286 L287 E288 | E280-E284 WeakPolarHBondContact O-CG 3.28Å; E280-E284 PolarHBondContact O-N 3.41Å; Q281-E284 PolarHBondContact O-N 3.19Å; E284-M286 VanDerWaalsContact C-N 3.3Å; E284-M286 PolarHBondContact O-N 3.47Å; E284-L287 WeakPolarHBondContact O-CB 3.42Å; E284-L287 PolarHBondContact O-N 3.35Å; E284-L287 VanDerWaalsContact O-N 3.1Å; E284-E288 WeakPolarHBondContact O-CG 3.32Å; E284-E288 PolarHBondContact O-N 2.87Å |
| 285 | Q | 94.3 | Very high | 94.2 | Very high | 122 Ų | 122 | 108.1 Ų | 108.1 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.7 | -40.6 | 175.2 | -70.6 | 172.8 | 19.9 | 0 | 0 | 112.5 | Q281 E282 Y289 | Q281-Q285 VanDerWaalsContact O-CG 3.31Å; Q281-Q285 WeakPolarHBondContact O-CG 3.29Å; Q281-Q285 PolarHBondContact O-N 2.89Å; E282-Q285 PolarHBondContact O-N 2.9Å; Q285-Y289 WeakPolarHBondContact O-CB 3.43Å; Q285-Y289 PolarHBondContact O-N 3.47Å |
| 286 | M | 92.4 | Very high | 94 | Very high | 128 Ų | 128 | 109.8 Ų | 109.8 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | 175.5 | -175.9 | -170.4 | -64.6 | 0 | 0 | 111.8 | E282 K283 E284 Y289 M290 | E282-M286 WeakPolarHBondContact O-CB 3.47Å; E282-M286 PolarHBondContact O-N 3.42Å; K283-M286 PolarHBondContact O-N 2.91Å; E284-M286 VanDerWaalsContact C-N 3.3Å; E284-M286 PolarHBondContact O-N 3.47Å; M286-Y289 PolarHBondContact O-N 3.13Å; M286-M290 WeakPolarHBondContact O-CG 3.32Å; M286-M290 PolarHBondContact O-N 2.9Å |
| 287 | L | 94.9 | Very high | 93.9 | Very high | 102 Ų | 102 | 112.7 Ų | 112.7 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 177.2 | -74.3 | 171.4 | 0 | 0 | 0 | 111.1 | K283 E284 Y289 M290 E291 | K283-L287 HydrophobicContact CG-CD1 4.26Å; K283-L287 VanDerWaalsContact O-CG 3.3Å; K283-L287 WeakPolarHBondContact O-CG 3.12Å; K283-L287 PolarHBondContact O-N 3.2Å; E284-L287 WeakPolarHBondContact O-CB 3.42Å; E284-L287 PolarHBondContact O-N 3.35Å; E284-L287 VanDerWaalsContact O-N 3.1Å; L287-Y289 VanDerWaalsContact C-N 3.31Å; L287-Y289 PolarHBondContact O-N 3.34Å; L287-M290 PolarHBondContact O-N 3.26Å; L287-E291 WeakPolarHBondContact O-CB 3.46Å; L287-E291 PolarHBondContact O-N 3.2Å |
| 288 | E | 94.8 | Very high | 93.8 | Very high | 111 Ų | 111 | 113.3 Ų | 113.3 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 174.8 | -72.3 | 178.7 | 178.4 | 0 | 0 | 111.4 | E284 E291 Q292 | E284-E288 WeakPolarHBondContact O-CG 3.32Å; E284-E288 PolarHBondContact O-N 2.87Å; E288-E291 PolarHBondContact O-N 3.39Å; E288-Q292 WeakPolarHBondContact O-CG 3.22Å; E288-Q292 PolarHBondContact O-N 3.37Å |
| 289 | Y | 94.9 | Very high | 93.7 | Very high | 141 Ų | 141 | 113.1 Ų | 113.1 | 55% | 0.553 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 176.6 | 179.4 | -111.5 | 0 | 0 | 0 | 112.5 | Q285 M286 L287 Q292 L293 | Q285-Y289 WeakPolarHBondContact O-CB 3.43Å; Q285-Y289 PolarHBondContact O-N 3.47Å; M286-Y289 PolarHBondContact O-N 3.13Å; L287-Y289 VanDerWaalsContact C-N 3.31Å; L287-Y289 PolarHBondContact O-N 3.34Å; Y289-Q292 PolarHBondContact O-N 2.83Å; Y289-L293 PolarHBondContact O-N 3.13Å |
| 290 | M | 92.6 | Very high | 93.5 | Very high | 78 Ų | 78 | 107.8 Ų | 107.8 | 38% | 0.384 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 174.4 | -72.7 | -67.2 | 96.2 | 0 | 0 | 112.5 | M286 L287 L293 Q294 | M286-M290 WeakPolarHBondContact O-CG 3.32Å; M286-M290 PolarHBondContact O-N 2.9Å; L287-M290 PolarHBondContact O-N 3.26Å; M290-L293 HydrophobicContact CE-CD2 3.98Å; M290-L293 PolarHBondContact O-N 3.32Å; M290-Q294 WeakPolarHBondContact O-CB 3.47Å; M290-Q294 VanDerWaalsContact O-CG 3.28Å; M290-Q294 WeakPolarHBondContact O-CG 3.05Å; M290-Q294 PolarHBondContact O-N 2.84Å |
| 291 | E | 93.9 | Very high | 93.1 | Very high | 117 Ų | 117 | 106.5 Ų | 106.5 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 175.2 | -172.8 | 170 | -154.9 | 0 | 0 | 111 | L287 E288 L293 Q294 E295 | L287-E291 WeakPolarHBondContact O-CB 3.46Å; L287-E291 PolarHBondContact O-N 3.2Å; E288-E291 PolarHBondContact O-N 3.39Å; E291-L293 VanDerWaalsContact C-N 3.34Å; E291-L293 PolarHBondContact O-N 2.93Å; E291-Q294 PolarHBondContact O-N 3.07Å; E291-E295 WeakPolarHBondContact O-CG 3.27Å; E291-E295 PolarHBondContact O-N 3.14Å |
| 292 | Q | 94.3 | Very high | 93 | Very high | 111 Ų | 111 | 106.7 Ų | 106.7 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 174.2 | -72.5 | 173.3 | 21.6 | 0 | 0 | 112.1 | E288 Y289 E295 E296 | E288-Q292 WeakPolarHBondContact O-CG 3.22Å; E288-Q292 PolarHBondContact O-N 3.37Å; Y289-Q292 PolarHBondContact O-N 2.83Å; Q292-E295 WeakPolarHBondContact O-CB 3.36Å; Q292-E295 PolarHBondContact O-N 3.28Å; Q292-E296 WeakPolarHBondContact O-CG 3.37Å; Q292-E296 PolarHBondContact O-N 2.77Å |
| 293 | L | 93.4 | Very high | 92.8 | Very high | 67 Ų | 67 | 107 Ų | 107 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 177.6 | -171.9 | 67.9 | 0 | 0 | 0 | 111.7 | Y289 M290 E291 E295 E296 D297 | Y289-L293 PolarHBondContact O-N 3.13Å; M290-L293 HydrophobicContact CE-CD2 3.98Å; M290-L293 PolarHBondContact O-N 3.32Å; E291-L293 VanDerWaalsContact C-N 3.34Å; E291-L293 PolarHBondContact O-N 2.93Å; L293-E295 VanDerWaalsContact C-N 3.34Å; L293-E295 PolarHBondContact O-N 3.38Å; L293-E296 PolarHBondContact O-N 3.31Å; L293-D297 WeakPolarHBondContact O-CB 3.37Å; L293-D297 PolarHBondContact O-N 2.86Å |
| 294 | Q | 91.6 | Very high | 92.6 | Very high | 126 Ų | 126 | 107.2 Ų | 107.2 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 175 | -74.6 | 176.4 | 7.6 | 0 | 0 | 111.7 | M290 E291 D297 L298 | M290-Q294 WeakPolarHBondContact O-CB 3.47Å; M290-Q294 VanDerWaalsContact O-CG 3.28Å; M290-Q294 WeakPolarHBondContact O-CG 3.05Å; M290-Q294 PolarHBondContact O-N 2.84Å; E291-Q294 PolarHBondContact O-N 3.07Å; Q294-D297 PolarHBondContact O-N 3.18Å; Q294-L298 WeakPolarHBondContact O-CB 3.27Å; Q294-L298 VanDerWaalsContact O-CG 3.27Å; Q294-L298 WeakPolarHBondContact O-CG 3.42Å; Q294-L298 PolarHBondContact O-N 3.28Å |
| 295 | E | 92.2 | Very high | 92.4 | Very high | 87 Ų | 87 | 107.3 Ų | 107.3 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 174.3 | -76.4 | -168.2 | -171.1 | 0 | 0 | 112.5 | E291 Q292 L293 L298 K299 | E291-E295 WeakPolarHBondContact O-CG 3.27Å; E291-E295 PolarHBondContact O-N 3.14Å; Q292-E295 WeakPolarHBondContact O-CB 3.36Å; Q292-E295 PolarHBondContact O-N 3.28Å; L293-E295 VanDerWaalsContact C-N 3.34Å; L293-E295 PolarHBondContact O-N 3.38Å; E295-L298 PolarHBondContact O-N 3.23Å; E295-K299 WeakPolarHBondContact O-CB 3.26Å; E295-K299 WeakPolarHBondContact O-CD 3.2Å; E295-K299 VanDerWaalsContact O-CG 3.23Å; E295-K299 WeakPolarHBondContact O-CG 3.48Å; E295-K299 PolarHBondContact O-N 2.87Å; E295-K299 IonicContact OE2-NZ 2.94Å; E295-K299 PolarHBondContact OE2-NZ 3.42Å |
| 296 | E | 92 | Very high | 92.1 | Very high | 116 Ų | 116 | 106.5 Ų | 106.5 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176 | -75.4 | -174.7 | 172.2 | 0 | 0 | 111.3 | Q292 L293 L298 K299 D300 | Q292-E296 WeakPolarHBondContact O-CG 3.37Å; Q292-E296 PolarHBondContact O-N 2.77Å; L293-E296 PolarHBondContact O-N 3.31Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 3.49Å; E296-K299 PolarHBondContact O-N 3.42Å; E296-D300 WeakPolarHBondContact O-CB 3.37Å; E296-D300 PolarHBondContact O-N 2.99Å |
| 297 | D | 92.4 | Very high | 91.9 | Very high | 93 Ų | 93 | 106.5 Ų | 106.5 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 174.7 | -82.2 | -20 | 0 | 0 | 0 | 111.6 | L293 Q294 D300 M301 | L293-D297 WeakPolarHBondContact O-CB 3.37Å; L293-D297 PolarHBondContact O-N 2.86Å; Q294-D297 PolarHBondContact O-N 3.18Å; D297-D300 WeakPolarHBondContact O-CB 3.4Å; D297-D300 PolarHBondContact O-N 3.33Å; D297-M301 WeakPolarHBondContact O-CB 3.32Å; D297-M301 VanDerWaalsContact O-CG 3.24Å; D297-M301 WeakPolarHBondContact O-CG 3.44Å; D297-M301 PolarHBondContact O-N 3.12Å |
| 298 | L | 92.2 | Very high | 91.5 | Very high | 112 Ų | 112 | 107.9 Ų | 107.9 | 59% | 0.586 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -46.8 | 174.4 | -73.2 | 173.4 | 0 | 0 | 0 | 111.2 | Q294 E295 E296 D300 M301 E302 | Q294-L298 WeakPolarHBondContact O-CB 3.27Å; Q294-L298 VanDerWaalsContact O-CG 3.27Å; Q294-L298 WeakPolarHBondContact O-CG 3.42Å; Q294-L298 PolarHBondContact O-N 3.28Å; E295-L298 PolarHBondContact O-N 3.23Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 3.49Å; L298-D300 VanDerWaalsContact C-N 3.32Å; L298-D300 PolarHBondContact O-N 2.92Å; L298-M301 PolarHBondContact O-N 3.33Å; L298-E302 WeakPolarHBondContact O-CG 3.3Å; L298-E302 PolarHBondContact O-N 3.46Å |
| 299 | K | 93.1 | Very high | 91.4 | Very high | 98 Ų | 98 | 107.9 Ų | 107.9 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 176.4 | -71.1 | 162.9 | -169.2 | 155 | 0 | 111.7 | E295 E296 R303 | E295-K299 WeakPolarHBondContact O-CB 3.26Å; E295-K299 WeakPolarHBondContact O-CD 3.2Å; E295-K299 VanDerWaalsContact O-CG 3.23Å; E295-K299 WeakPolarHBondContact O-CG 3.48Å; E295-K299 PolarHBondContact O-N 2.87Å; E295-K299 IonicContact OE2-NZ 2.94Å; E295-K299 PolarHBondContact OE2-NZ 3.42Å; E296-K299 PolarHBondContact O-N 3.42Å; K299-R303 WeakPolarHBondContact O-CB 3.41Å; K299-R303 WeakPolarHBondContact O-CG 3.32Å; K299-R303 PolarHBondContact O-N 2.84Å; K299-R303 PolarHBondContact O-NE 3.16Å |
| 300 | D | 91.9 | Very high | 91.2 | Very high | 51 Ų | 51 | 108.3 Ų | 108.3 | 27% | 0.273 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 174.5 | -107.7 | 24.8 | 0 | 0 | 0 | 111.3 | E296 D297 L298 R303 R304 | E296-D300 WeakPolarHBondContact O-CB 3.37Å; E296-D300 PolarHBondContact O-N 2.99Å; D297-D300 WeakPolarHBondContact O-CB 3.4Å; D297-D300 PolarHBondContact O-N 3.33Å; L298-D300 VanDerWaalsContact C-N 3.32Å; L298-D300 PolarHBondContact O-N 2.92Å; D300-R303 PolarHBondContact O-N 3.25Å; D300-R303 IonicContact OD1-CZ 2.89Å; D300-R303 IonicContact OD1-NE 3.89Å; D300-R303 IonicContact OD1-NH1 2.83Å; D300-R303 PolarHBondContact OD1-NH1 3.48Å; D300-R303 IonicContact OD1-NH2 2.59Å; D300-R303 PolarHBondContact OD1-NH2 2.92Å; D300-R304 WeakPolarHBondContact O-CB 3.5Å; D300-R304 VanDerWaalsContact O-CG 3.3Å; D300-R304 WeakPolarHBondContact O-CG 3.29Å; D300-R304 PolarHBondContact O-N 3.13Å |
| 301 | M | 86.4 | Confident | 90.9 | Very high | 97 Ų | 97 | 110 Ų | 110 | 48% | 0.478 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.7 | -75 | -62.8 | -71.7 | 0 | 0 | 111.8 | D297 L298 R304 Q305 | D297-M301 WeakPolarHBondContact O-CB 3.32Å; D297-M301 VanDerWaalsContact O-CG 3.24Å; D297-M301 WeakPolarHBondContact O-CG 3.44Å; D297-M301 PolarHBondContact O-N 3.12Å; L298-M301 PolarHBondContact O-N 3.33Å; M301-R304 PolarHBondContact O-N 3.41Å; M301-Q305 WeakPolarHBondContact O-CB 3.43Å; M301-Q305 WeakPolarHBondContact O-CG 3.42Å; M301-Q305 PolarHBondContact O-N 2.97Å |
| 302 | E | 90.8 | Very high | 90.6 | Very high | 112 Ų | 112 | 109.5 Ų | 109.5 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 172.5 | -75.5 | -178.6 | 179.1 | 0 | 0 | 111.5 | L298 R304 Q305 Q306 | L298-E302 WeakPolarHBondContact O-CG 3.3Å; L298-E302 PolarHBondContact O-N 3.46Å; E302-R304 VanDerWaalsContact C-N 3.34Å; E302-R304 PolarHBondContact O-N 3.01Å; E302-Q305 PolarHBondContact O-N 3.4Å; E302-Q306 WeakPolarHBondContact O-CB 3.36Å; E302-Q306 VanDerWaalsContact O-CG 3.32Å; E302-Q306 WeakPolarHBondContact O-CG 3.26Å; E302-Q306 PolarHBondContact O-N 3.12Å |
| 303 | R | 91 | Very high | 90.4 | Very high | 130 Ų | 130 | 106.4 Ų | 106.4 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 175.3 | -81.6 | -176 | -87.4 | 138.7 | -9.3 | 111.6 | K299 D300 Q306 Q307 | K299-R303 WeakPolarHBondContact O-CB 3.41Å; K299-R303 WeakPolarHBondContact O-CG 3.32Å; K299-R303 PolarHBondContact O-N 2.84Å; K299-R303 PolarHBondContact O-NE 3.16Å; D300-R303 PolarHBondContact O-N 3.25Å; D300-R303 IonicContact OD1-CZ 2.89Å; D300-R303 IonicContact OD1-NE 3.89Å; D300-R303 IonicContact OD1-NH1 2.83Å; D300-R303 PolarHBondContact OD1-NH1 3.48Å; D300-R303 IonicContact OD1-NH2 2.59Å; D300-R303 PolarHBondContact OD1-NH2 2.92Å; R303-Q306 PolarHBondContact O-N 2.88Å; R303-Q307 WeakPolarHBondContact O-CB 3.38Å; R303-Q307 VanDerWaalsContact O-CG 3.28Å; R303-Q307 WeakPolarHBondContact O-CG 3.27Å; R303-Q307 PolarHBondContact O-N 3.49Å |
| 304 | R | 90.4 | Very high | 90.2 | Very high | 138 Ų | 138 | 107.6 Ų | 107.6 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 175.9 | -72.6 | 173.8 | -174.1 | 179.2 | 5.7 | 111.7 | D300 M301 E302 Q307 K308 | D300-R304 WeakPolarHBondContact O-CB 3.5Å; D300-R304 VanDerWaalsContact O-CG 3.3Å; D300-R304 WeakPolarHBondContact O-CG 3.29Å; D300-R304 PolarHBondContact O-N 3.13Å; M301-R304 PolarHBondContact O-N 3.41Å; E302-R304 VanDerWaalsContact C-N 3.34Å; E302-R304 PolarHBondContact O-N 3.01Å; R304-Q307 PolarHBondContact O-N 3.1Å; R304-K308 WeakPolarHBondContact O-CB 3.23Å; R304-K308 VanDerWaalsContact O-CG 3.29Å; R304-K308 WeakPolarHBondContact O-CG 3.29Å; R304-K308 PolarHBondContact O-N 3.05Å |
| 305 | Q | 90.1 | Very high | 90 | Very high | 117 Ų | 117 | 105.5 Ų | 105.5 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 175.3 | -75.7 | -177.1 | 10.1 | 0 | 0 | 111.5 | M301 E302 Q307 K308 L309 | M301-Q305 WeakPolarHBondContact O-CB 3.43Å; M301-Q305 WeakPolarHBondContact O-CG 3.42Å; M301-Q305 PolarHBondContact O-N 2.97Å; E302-Q305 PolarHBondContact O-N 3.4Å; Q305-Q307 VanDerWaalsContact C-N 3.34Å; Q305-Q307 PolarHBondContact O-N 3.35Å; Q305-K308 WeakPolarHBondContact O-CB 3.34Å; Q305-K308 PolarHBondContact O-N 3.46Å; Q305-L309 WeakPolarHBondContact O-CG 3.38Å; Q305-L309 PolarHBondContact O-N 2.98Å |
| 306 | Q | 89.4 | Confident | 90 | Very high | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 176 | -71.1 | 177.1 | 10.9 | 0 | 0 | 111.8 | E302 R303 L309 K310 | E302-Q306 WeakPolarHBondContact O-CB 3.36Å; E302-Q306 VanDerWaalsContact O-CG 3.32Å; E302-Q306 WeakPolarHBondContact O-CG 3.26Å; E302-Q306 PolarHBondContact O-N 3.12Å; R303-Q306 PolarHBondContact O-N 2.88Å; Q306-L309 PolarHBondContact O-N 3.48Å; Q306-K310 WeakPolarHBondContact O-CG 3.21Å; Q306-K310 PolarHBondContact O-N 3.35Å |
| 307 | Q | 88.2 | Confident | 90 | Very high | 128 Ų | 128 | 109.5 Ų | 109.5 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 174.3 | -74.6 | 175.7 | -0.6 | 0 | 0 | 111.8 | R303 R304 Q305 L309 K310 M311 | R303-Q307 WeakPolarHBondContact O-CB 3.38Å; R303-Q307 VanDerWaalsContact O-CG 3.28Å; R303-Q307 WeakPolarHBondContact O-CG 3.27Å; R303-Q307 PolarHBondContact O-N 3.49Å; R304-Q307 PolarHBondContact O-N 3.1Å; Q305-Q307 VanDerWaalsContact C-N 3.34Å; Q305-Q307 PolarHBondContact O-N 3.35Å; Q307-L309 VanDerWaalsContact C-N 3.33Å; Q307-L309 PolarHBondContact O-N 2.81Å; Q307-K310 PolarHBondContact O-N 3.26Å; Q307-M311 WeakPolarHBondContact O-CB 3.49Å; Q307-M311 PolarHBondContact O-N 3.5Å |
| 308 | K | 86.7 | Confident | 89.8 | Confident | 131 Ų | 131 | 108.7 Ų | 108.7 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.3 | -44.3 | 174.1 | -77.9 | 177.8 | -179.4 | -176.6 | 0 | 111.5 | R304 Q305 M311 Q312 | R304-K308 WeakPolarHBondContact O-CB 3.23Å; R304-K308 VanDerWaalsContact O-CG 3.29Å; R304-K308 WeakPolarHBondContact O-CG 3.29Å; R304-K308 PolarHBondContact O-N 3.05Å; Q305-K308 WeakPolarHBondContact O-CB 3.34Å; Q305-K308 PolarHBondContact O-N 3.46Å; K308-M311 PolarHBondContact O-N 2.93Å; K308-Q312 WeakPolarHBondContact O-CB 3.31Å; K308-Q312 VanDerWaalsContact O-CG 3.32Å; K308-Q312 WeakPolarHBondContact O-CG 3.44Å; K308-Q312 PolarHBondContact O-N 3.44Å |
| 309 | L | 91.4 | Very high | 89.7 | Confident | 111 Ų | 111 | 107.4 Ų | 107.4 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 177.3 | -73 | 172.6 | 0 | 0 | 0 | 112 | Q305 Q306 Q307 Q312 A313 | Q305-L309 WeakPolarHBondContact O-CG 3.38Å; Q305-L309 PolarHBondContact O-N 2.98Å; Q306-L309 PolarHBondContact O-N 3.48Å; Q307-L309 VanDerWaalsContact C-N 3.33Å; Q307-L309 PolarHBondContact O-N 2.81Å; L309-Q312 PolarHBondContact O-N 3.31Å; L309-A313 WeakPolarHBondContact O-CB 3.38Å; L309-A313 PolarHBondContact O-N 2.9Å |
| 310 | K | 90.9 | Very high | 89.6 | Confident | 150 Ų | 150 | 106.8 Ų | 106.8 | 65% | 0.652 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.8 | -47 | 175 | -73.6 | 174.5 | -177.4 | 179.1 | 0 | 111.4 | Q306 Q307 A313 E314 | Q306-K310 WeakPolarHBondContact O-CG 3.21Å; Q306-K310 PolarHBondContact O-N 3.35Å; Q307-K310 PolarHBondContact O-N 3.26Å; K310-A313 PolarHBondContact O-N 2.79Å; K310-E314 PolarHBondContact O-N 2.88Å |
| 311 | M | 87.6 | Confident | 89.5 | Confident | 114 Ų | 114 | 109.6 Ų | 109.6 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 177.6 | -175.9 | 172.7 | 62.2 | 0 | 0 | 111.8 | Q307 K308 E314 I315 | Q307-M311 WeakPolarHBondContact O-CB 3.49Å; Q307-M311 PolarHBondContact O-N 3.5Å; K308-M311 PolarHBondContact O-N 2.93Å; M311-E314 PolarHBondContact O-N 3.45Å; M311-I315 HydrophobicContact CG-CD1 4Å; M311-I315 VanDerWaalsContact O-CG1 3.28Å; M311-I315 WeakPolarHBondContact O-CG1 3.4Å; M311-I315 PolarHBondContact O-N 2.87Å |
| 312 | Q | 87.3 | Confident | 89.5 | Confident | 106 Ų | 106 | 109.1 Ų | 109.1 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 174.4 | -79.2 | -177.9 | 1.3 | 0 | 0 | 112.3 | K308 L309 E314 K316 | K308-Q312 WeakPolarHBondContact O-CB 3.31Å; K308-Q312 VanDerWaalsContact O-CG 3.32Å; K308-Q312 WeakPolarHBondContact O-CG 3.44Å; K308-Q312 PolarHBondContact O-N 3.44Å; L309-Q312 PolarHBondContact O-N 3.31Å; Q312-E314 VanDerWaalsContact C-N 3.33Å; Q312-K316 VanDerWaalsContact O-CG 3.32Å; Q312-K316 WeakPolarHBondContact O-CG 3.44Å; Q312-K316 PolarHBondContact O-N 3.35Å |
| 313 | A | 89.9 | Confident | 89.3 | Confident | 46 Ų | 46 | 110.2 Ų | 110.2 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L309 K310 K316 R317 | L309-A313 WeakPolarHBondContact O-CB 3.38Å; L309-A313 PolarHBondContact O-N 2.9Å; K310-A313 PolarHBondContact O-N 2.79Å; A313-K316 PolarHBondContact O-N 2.91Å; A313-R317 WeakPolarHBondContact O-CG 3.29Å; A313-R317 PolarHBondContact O-N 2.81Å |
| 314 | E | 89.2 | Confident | 89.2 | Confident | 91 Ų | 91 | 110.6 Ų | 110.6 | 43% | 0.425 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -44.5 | 177.1 | -166.4 | 61.3 | -163.8 | 0 | 0 | 112.3 | K310 M311 Q312 K316 R317 I318 | K310-E314 PolarHBondContact O-N 2.88Å; M311-E314 PolarHBondContact O-N 3.45Å; Q312-E314 VanDerWaalsContact C-N 3.33Å; E314-K316 VanDerWaalsContact C-N 3.28Å; E314-K316 PolarHBondContact O-N 3.47Å; E314-R317 WeakPolarHBondContact O-CB 3.33Å; E314-R317 PolarHBondContact O-N 2.89Å; E314-R317 VanDerWaalsContact O-N 3.15Å; E314-R317 IonicContact OE2-NH1 3.63Å; E314-I318 HydrophobicContact CG-CD1 4.12Å; E314-I318 WeakPolarHBondContact O-CG1 3.28Å; E314-I318 PolarHBondContact O-N 3.44Å |
| 315 | I | 87.4 | Confident | 88.9 | Confident | 83 Ų | 83 | 109.3 Ų | 109.3 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 174.3 | -69.5 | 165.7 | 0 | 0 | 0 | 110.8 | M311 I318 N319 | M311-I315 HydrophobicContact CG-CD1 4Å; M311-I315 VanDerWaalsContact O-CG1 3.28Å; M311-I315 WeakPolarHBondContact O-CG1 3.4Å; M311-I315 PolarHBondContact O-N 2.87Å; I315-I318 PolarHBondContact O-N 3.49Å; I315-N319 VanDerWaalsContact O-CB 3.28Å; I315-N319 WeakPolarHBondContact O-CB 3.45Å; I315-N319 VanDerWaalsContact O-CG 3.28Å; I315-N319 PolarHBondContact O-N 3.44Å; I315-N319 PolarHBondContact O-ND2 3.23Å |
| 316 | K | 90.8 | Very high | 88.7 | Confident | 135 Ų | 135 | 110.6 Ų | 110.6 | 59% | 0.587 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61 | -46.8 | 175.7 | -75.9 | 176.3 | -178.7 | -177.6 | 0 | 111.3 | Q312 A313 E314 I318 N319 D320 | Q312-K316 VanDerWaalsContact O-CG 3.32Å; Q312-K316 WeakPolarHBondContact O-CG 3.44Å; Q312-K316 PolarHBondContact O-N 3.35Å; A313-K316 PolarHBondContact O-N 2.91Å; E314-K316 VanDerWaalsContact C-N 3.28Å; E314-K316 PolarHBondContact O-N 3.47Å; K316-I318 PolarHBondContact O-N 2.82Å; K316-N319 PolarHBondContact O-N 2.93Å; K316-D320 WeakPolarHBondContact O-CB 3.29Å; K316-D320 PolarHBondContact O-N 3.36Å |
| 317 | R | 92.2 | Very high | 88.6 | Confident | 151 Ų | 151 | 108.3 Ų | 108.3 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.1 | -49.5 | 176 | -72.8 | 176.6 | 178.1 | 170.7 | -3.7 | 112.3 | A313 E314 N319 D320 E321 | A313-R317 WeakPolarHBondContact O-CG 3.29Å; A313-R317 PolarHBondContact O-N 2.81Å; E314-R317 WeakPolarHBondContact O-CB 3.33Å; E314-R317 PolarHBondContact O-N 2.89Å; E314-R317 VanDerWaalsContact O-N 3.15Å; E314-R317 IonicContact OE2-NH1 3.63Å; R317-N319 VanDerWaalsContact C-N 3.32Å; R317-N319 PolarHBondContact O-N 2.84Å; R317-D320 PolarHBondContact O-N 3.37Å; R317-E321 WeakPolarHBondContact O-CG 3.38Å; R317-E321 PolarHBondContact O-N 3.35Å |
| 318 | I | 89.3 | Confident | 88.4 | Confident | 76 Ų | 76 | 108 Ų | 108 | 39% | 0.39 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 178.7 | -66.6 | 170 | 0 | 0 | 0 | 110.8 | E314 I315 K316 E321 N322 | E314-I318 HydrophobicContact CG-CD1 4.12Å; E314-I318 WeakPolarHBondContact O-CG1 3.28Å; E314-I318 PolarHBondContact O-N 3.44Å; I315-I318 PolarHBondContact O-N 3.49Å; K316-I318 PolarHBondContact O-N 2.82Å; I318-E321 PolarHBondContact O-N 2.96Å; I318-N322 WeakPolarHBondContact CG2-ND2 3.42Å; I318-N322 WeakPolarHBondContact O-CB 3.35Å; I318-N322 PolarHBondContact O-N 3.38Å; I318-N322 PolarHBondContact O-ND2 2.91Å |
| 319 | N | 89.3 | Confident | 88.2 | Confident | 85 Ų | 85 | 107 Ų | 107 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 176.6 | -80.1 | -23.6 | 0 | 0 | 0 | 112 | I315 K316 R317 E321 N322 Q323 | I315-N319 VanDerWaalsContact O-CB 3.28Å; I315-N319 WeakPolarHBondContact O-CB 3.45Å; I315-N319 VanDerWaalsContact O-CG 3.28Å; I315-N319 PolarHBondContact O-N 3.44Å; I315-N319 PolarHBondContact O-ND2 3.23Å; K316-N319 PolarHBondContact O-N 2.93Å; R317-N319 VanDerWaalsContact C-N 3.32Å; R317-N319 PolarHBondContact O-N 2.84Å; N319-E321 VanDerWaalsContact C-N 3.34Å; N319-N322 PolarHBondContact O-N 2.85Å; N319-Q323 WeakPolarHBondContact O-CB 3.44Å; N319-Q323 WeakPolarHBondContact O-CG 3.48Å; N319-Q323 PolarHBondContact O-N 3.31Å |
| 320 | D | 90.9 | Very high | 87.9 | Confident | 86 Ų | 86 | 105.3 Ų | 105.3 | 46% | 0.46 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 176.5 | -67.4 | -18.7 | 0 | 0 | 0 | 110.9 | K316 R317 Q323 K324 | K316-D320 WeakPolarHBondContact O-CB 3.29Å; K316-D320 PolarHBondContact O-N 3.36Å; R317-D320 PolarHBondContact O-N 3.37Å; D320-Q323 PolarHBondContact O-N 2.94Å; D320-K324 WeakPolarHBondContact O-CG 3.36Å; D320-K324 PolarHBondContact O-N 2.95Å |
| 321 | E | 89.6 | Confident | 87.6 | Confident | 110 Ų | 110 | 100.5 Ų | 100.5 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 173.7 | -74.1 | 174.7 | -172.9 | 0 | 0 | 112.2 | R317 I318 N319 Q323 K324 Q325 | R317-E321 WeakPolarHBondContact O-CG 3.38Å; R317-E321 PolarHBondContact O-N 3.35Å; I318-E321 PolarHBondContact O-N 2.96Å; N319-E321 VanDerWaalsContact C-N 3.34Å; E321-Q323 VanDerWaalsContact C-N 3.32Å; E321-Q323 PolarHBondContact O-N 2.97Å; E321-K324 WeakPolarHBondContact O-CB 3.28Å; E321-K324 PolarHBondContact O-N 3.43Å; E321-Q325 WeakPolarHBondContact O-CG 3.49Å; E321-Q325 PolarHBondContact O-N 2.76Å |
| 322 | N | 86.6 | Confident | 87.3 | Confident | 86 Ų | 86 | 100.9 Ų | 100.9 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 174.8 | -86.8 | -81.5 | 0 | 0 | 0 | 112 | I318 N319 Q325 K326 | I318-N322 WeakPolarHBondContact CG2-ND2 3.42Å; I318-N322 WeakPolarHBondContact O-CB 3.35Å; I318-N322 PolarHBondContact O-N 3.38Å; I318-N322 PolarHBondContact O-ND2 2.91Å; N319-N322 PolarHBondContact O-N 2.85Å; N322-Q325 PolarHBondContact O-N 3.02Å; N322-K326 VanDerWaalsContact O-CB 3.29Å; N322-K326 WeakPolarHBondContact O-CB 3.22Å; N322-K326 PolarHBondContact O-N 2.96Å |
| 323 | Q | 86.9 | Confident | 86.9 | Confident | 136 Ų | 136 | 101.1 Ų | 101.1 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 174.6 | -79.3 | -174.7 | 8.2 | 0 | 0 | 111.6 | N319 D320 E321 K326 A327 | N319-Q323 WeakPolarHBondContact O-CB 3.44Å; N319-Q323 WeakPolarHBondContact O-CG 3.48Å; N319-Q323 PolarHBondContact O-N 3.31Å; D320-Q323 PolarHBondContact O-N 2.94Å; E321-Q323 VanDerWaalsContact C-N 3.32Å; E321-Q323 PolarHBondContact O-N 2.97Å; Q323-K326 PolarHBondContact O-N 3.3Å; Q323-A327 WeakPolarHBondContact O-CB 3.48Å; Q323-A327 PolarHBondContact O-N 3.04Å |
| 324 | K | 89.1 | Confident | 86.5 | Confident | 137 Ų | 137 | 105.3 Ų | 105.3 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.8 | -49.6 | 174.2 | -72.4 | 171.5 | -175.1 | 175.5 | 0 | 111.4 | D320 E321 K326 A327 E328 | D320-K324 WeakPolarHBondContact O-CG 3.36Å; D320-K324 PolarHBondContact O-N 2.95Å; E321-K324 WeakPolarHBondContact O-CB 3.28Å; E321-K324 PolarHBondContact O-N 3.43Å; K324-K326 VanDerWaalsContact C-N 3.32Å; K324-K326 PolarHBondContact O-N 3.41Å; K324-A327 WeakPolarHBondContact O-CB 3.28Å; K324-A327 PolarHBondContact O-N 2.93Å; K324-A327 VanDerWaalsContact O-N 3.1Å; K324-E328 WeakPolarHBondContact O-CG 3.32Å; K324-E328 PolarHBondContact O-N 2.94Å |
| 325 | Q | 84.5 | Confident | 86.1 | Confident | 111 Ų | 111 | 105.9 Ų | 105.9 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 176.6 | -71.8 | 178 | -2.4 | 0 | 0 | 112 | E321 N322 A327 E328 L329 | E321-Q325 WeakPolarHBondContact O-CG 3.49Å; E321-Q325 PolarHBondContact O-N 2.76Å; N322-Q325 PolarHBondContact O-N 3.02Å; Q325-A327 VanDerWaalsContact C-N 3.34Å; Q325-A327 PolarHBondContact O-N 3.04Å; Q325-E328 PolarHBondContact O-N 2.89Å; Q325-L329 WeakPolarHBondContact O-CB 3.38Å; Q325-L329 WeakPolarHBondContact O-CG 3.32Å; Q325-L329 PolarHBondContact O-N 3.03Å |
| 326 | K | 86.1 | Confident | 85.7 | Confident | 144 Ų | 144 | 104.2 Ų | 104.2 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64 | -39.2 | 175.4 | -170.8 | 176.2 | -177.7 | 179.2 | 0 | 111.9 | N322 Q323 K324 L330 | N322-K326 VanDerWaalsContact O-CB 3.29Å; N322-K326 WeakPolarHBondContact O-CB 3.22Å; N322-K326 PolarHBondContact O-N 2.96Å; Q323-K326 PolarHBondContact O-N 3.3Å; K324-K326 VanDerWaalsContact C-N 3.32Å; K324-K326 PolarHBondContact O-N 3.41Å; K326-L330 HydrophobicContact CG-CD1 4.21Å; K326-L330 WeakPolarHBondContact O-CB 3.18Å; K326-L330 WeakPolarHBondContact O-CD1 3.33Å; K326-L330 WeakPolarHBondContact O-CG 3.33Å; K326-L330 PolarHBondContact O-N 3.37Å |
| 327 | A | 86.5 | Confident | 85.2 | Confident | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q323 K324 Q325 L330 A331 | Q323-A327 WeakPolarHBondContact O-CB 3.48Å; Q323-A327 PolarHBondContact O-N 3.04Å; K324-A327 WeakPolarHBondContact O-CB 3.28Å; K324-A327 PolarHBondContact O-N 2.93Å; K324-A327 VanDerWaalsContact O-N 3.1Å; Q325-A327 VanDerWaalsContact C-N 3.34Å; Q325-A327 PolarHBondContact O-N 3.04Å; A327-L330 PolarHBondContact O-N 3.24Å; A327-A331 WeakPolarHBondContact O-CB 3.45Å; A327-A331 PolarHBondContact O-N 2.74Å |
| 328 | E | 85.1 | Confident | 84.5 | Confident | 121 Ų | 121 | 100.4 Ų | 100.4 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -46.2 | 173.9 | -73.1 | 171.4 | -170.7 | 0 | 0 | 111.6 | K324 Q325 L330 A331 Q332 | K324-E328 WeakPolarHBondContact O-CG 3.32Å; K324-E328 PolarHBondContact O-N 2.94Å; Q325-E328 PolarHBondContact O-N 2.89Å; E328-L330 PolarHBondContact O-N 3.41Å; E328-A331 WeakPolarHBondContact O-CB 3.21Å; E328-A331 PolarHBondContact O-N 2.94Å; E328-A331 VanDerWaalsContact O-N 3.16Å; E328-Q332 WeakPolarHBondContact O-CG 3.33Å; E328-Q332 PolarHBondContact O-N 2.79Å |
| 329 | L | 82.2 | Confident | 84 | Confident | 110 Ų | 110 | 103.4 Ų | 103.4 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.5 | -44.7 | 174.5 | -73.3 | 173.2 | 0 | 0 | 0 | 111.8 | Q325 A331 Q332 E333 | Q325-L329 WeakPolarHBondContact O-CB 3.38Å; Q325-L329 WeakPolarHBondContact O-CG 3.32Å; Q325-L329 PolarHBondContact O-N 3.03Å; L329-A331 VanDerWaalsContact C-N 3.28Å; L329-A331 PolarHBondContact O-N 3.13Å; L329-Q332 PolarHBondContact O-N 3.49Å; L329-E333 WeakPolarHBondContact O-CB 3.33Å; L329-E333 PolarHBondContact O-N 2.89Å |
| 330 | L | 85.6 | Confident | 83.5 | Confident | 76 Ų | 76 | 103.5 Ų | 103.5 | 40% | 0.398 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -35.2 | 174.8 | -80.8 | 163.8 | 0 | 0 | 0 | 112.3 | K326 A327 E328 K334 | K326-L330 HydrophobicContact CG-CD1 4.21Å; K326-L330 WeakPolarHBondContact O-CB 3.18Å; K326-L330 WeakPolarHBondContact O-CD1 3.33Å; K326-L330 WeakPolarHBondContact O-CG 3.33Å; K326-L330 PolarHBondContact O-N 3.37Å; A327-L330 PolarHBondContact O-N 3.24Å; E328-L330 PolarHBondContact O-N 3.41Å; L330-K334 WeakPolarHBondContact O-CB 3.44Å; L330-K334 VanDerWaalsContact O-CG 3.22Å; L330-K334 WeakPolarHBondContact O-CG 3.36Å; L330-K334 PolarHBondContact O-N 3.24Å |
| 331 | A | 83.8 | Confident | 82.5 | Confident | 49 Ų | 49 | 104.8 Ų | 104.8 | 41% | 0.405 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A327 E328 L329 K334 L335 | A327-A331 WeakPolarHBondContact O-CB 3.45Å; A327-A331 PolarHBondContact O-N 2.74Å; E328-A331 WeakPolarHBondContact O-CB 3.21Å; E328-A331 PolarHBondContact O-N 2.94Å; E328-A331 VanDerWaalsContact O-N 3.16Å; L329-A331 VanDerWaalsContact C-N 3.28Å; L329-A331 PolarHBondContact O-N 3.13Å; A331-K334 PolarHBondContact O-N 2.96Å; A331-L335 WeakPolarHBondContact O-CG 3.35Å; A331-L335 PolarHBondContact O-N 3.49Å; A331-L335 VanDerWaalsContact O-N 3.07Å |
| 332 | Q | 80.3 | Confident | 82 | Confident | 122 Ų | 122 | 104.9 Ų | 104.9 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.3 | -42.3 | 174.6 | -69.7 | 177.9 | 15.9 | 0 | 0 | 112.3 | E328 L329 L335 A336 | E328-Q332 WeakPolarHBondContact O-CG 3.33Å; E328-Q332 PolarHBondContact O-N 2.79Å; L329-Q332 PolarHBondContact O-N 3.49Å; Q332-L335 WeakPolarHBondContact O-CB 3.49Å; Q332-L335 PolarHBondContact O-N 2.86Å; Q332-A336 PolarHBondContact O-N 3.34Å |
| 333 | E | 79.6 | Confident | 81.5 | Confident | 110 Ų | 110 | 107.8 Ų | 107.8 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 174.9 | -172.7 | 178.3 | -165.7 | 0 | 0 | 110.7 | L329 L335 A336 D337 | L329-E333 WeakPolarHBondContact O-CB 3.33Å; L329-E333 PolarHBondContact O-N 2.89Å; E333-L335 VanDerWaalsContact C-N 3.3Å; E333-L335 PolarHBondContact O-N 3.36Å; E333-A336 CarbonylContact O-C 3.58Å; E333-A336 WeakPolarHBondContact O-CB 3.44Å; E333-A336 PolarHBondContact O-N 2.93Å; E333-A336 VanDerWaalsContact O-N 3.13Å; E333-D337 WeakPolarHBondContact O-CB 3.39Å; E333-D337 PolarHBondContact O-N 3.46Å |
| 334 | K | 82.4 | Confident | 80.9 | Confident | 134 Ų | 134 | 104.4 Ų | 104.4 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.9 | -39.8 | 174.2 | -76 | 172.7 | -177 | -179.5 | 0 | 113 | L330 A331 Q338 | L330-K334 WeakPolarHBondContact O-CB 3.44Å; L330-K334 VanDerWaalsContact O-CG 3.22Å; L330-K334 WeakPolarHBondContact O-CG 3.36Å; L330-K334 PolarHBondContact O-N 3.24Å; A331-K334 PolarHBondContact O-N 2.96Å; K334-Q338 WeakPolarHBondContact O-CB 3.49Å; K334-Q338 VanDerWaalsContact O-CG 3.24Å; K334-Q338 WeakPolarHBondContact O-CG 3.19Å; K334-Q338 PolarHBondContact O-N 3.08Å |
| 335 | L | 80.1 | Confident | 80.2 | Confident | 103 Ų | 103 | 104.7 Ų | 104.7 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 175.3 | -72.5 | 169.7 | 0 | 0 | 0 | 111.1 | A331 Q332 E333 Q338 M339 | A331-L335 WeakPolarHBondContact O-CG 3.35Å; A331-L335 PolarHBondContact O-N 3.49Å; A331-L335 VanDerWaalsContact O-N 3.07Å; Q332-L335 WeakPolarHBondContact O-CB 3.49Å; Q332-L335 PolarHBondContact O-N 2.86Å; E333-L335 VanDerWaalsContact C-N 3.3Å; E333-L335 PolarHBondContact O-N 3.36Å; L335-Q338 PolarHBondContact O-N 3.47Å; L335-M339 WeakPolarHBondContact O-CG 3.4Å; L335-M339 PolarHBondContact O-N 2.81Å |
| 336 | A | 79.3 | Confident | 79.8 | Confident | 49 Ų | 49 | 105.1 Ų | 105.1 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q332 E333 Q338 M339 V340 | Q332-A336 PolarHBondContact O-N 3.34Å; E333-A336 CarbonylContact O-C 3.58Å; E333-A336 WeakPolarHBondContact O-CB 3.44Å; E333-A336 PolarHBondContact O-N 2.93Å; E333-A336 VanDerWaalsContact O-N 3.13Å; A336-Q338 VanDerWaalsContact C-N 3.35Å; A336-Q338 PolarHBondContact O-N 2.86Å; A336-M339 WeakPolarHBondContact O-CB 3.38Å; A336-M339 PolarHBondContact O-N 2.95Å; A336-M339 VanDerWaalsContact O-N 3.14Å; A336-V340 WeakPolarHBondContact O-CG2 3.39Å; A336-V340 PolarHBondContact O-N 3.42Å |
| 337 | D | 79.9 | Confident | 79.3 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176 | -76.6 | -17.1 | 0 | 0 | 0 | 112.1 | E333 M339 V340 M341 | E333-D337 WeakPolarHBondContact O-CB 3.39Å; E333-D337 PolarHBondContact O-N 3.46Å; D337-M339 VanDerWaalsContact C-N 3.34Å; D337-V340 PolarHBondContact O-N 3.25Å; D337-M341 VanDerWaalsContact O-CB 3.29Å; D337-M341 WeakPolarHBondContact O-CB 3.46Å; D337-M341 WeakPolarHBondContact O-CG 3.39Å; D337-M341 PolarHBondContact O-N 3.32Å |
| 338 | Q | 77.6 | Confident | 78.2 | Confident | 118 Ų | 118 | 106.9 Ų | 106.9 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 172.3 | -76 | 172.9 | 13.7 | 0 | 0 | 111.3 | K334 L335 A336 M341 E342 | K334-Q338 WeakPolarHBondContact O-CB 3.49Å; K334-Q338 VanDerWaalsContact O-CG 3.24Å; K334-Q338 WeakPolarHBondContact O-CG 3.19Å; K334-Q338 PolarHBondContact O-N 3.08Å; L335-Q338 PolarHBondContact O-N 3.47Å; A336-Q338 VanDerWaalsContact C-N 3.35Å; A336-Q338 PolarHBondContact O-N 2.86Å; Q338-M341 PolarHBondContact O-N 2.85Å; Q338-E342 WeakPolarHBondContact O-CG 3.49Å; Q338-E342 PolarHBondContact O-N 3.43Å |
| 339 | M | 79.2 | Confident | 77.7 | Confident | 140 Ų | 140 | 103.5 Ų | 103.5 | 69% | 0.69 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -40.4 | 176.3 | -68.7 | -175 | 73.6 | 0 | 0 | 112.4 | L335 A336 D337 E342 F343 | L335-M339 WeakPolarHBondContact O-CG 3.4Å; L335-M339 PolarHBondContact O-N 2.81Å; A336-M339 WeakPolarHBondContact O-CB 3.38Å; A336-M339 PolarHBondContact O-N 2.95Å; A336-M339 VanDerWaalsContact O-N 3.14Å; D337-M339 VanDerWaalsContact C-N 3.34Å; M339-E342 PolarHBondContact O-N 3.2Å; M339-F343 WeakPolarHBondContact O-CB 3.08Å; M339-F343 PolarHBondContact O-N 3.31Å |
| 340 | V | 77.6 | Confident | 77.2 | Confident | 87 Ų | 87 | 106.6 Ų | 106.6 | 53% | 0.527 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | A336 D337 E342 F343 T344 | A336-V340 WeakPolarHBondContact O-CG2 3.39Å; A336-V340 PolarHBondContact O-N 3.42Å; D337-V340 PolarHBondContact O-N 3.25Å; V340-E342 PolarHBondContact O-N 3.1Å; V340-F343 PolarHBondContact O-N 2.86Å; V340-T344 HydrophobicContact CG1-CG2 4.29Å; V340-T344 VanDerWaalsContact O-CG2 3.27Å; V340-T344 WeakPolarHBondContact O-CG2 3.11Å; V340-T344 PolarHBondContact O-N 3.08Å; V340-T344 PolarHBondContact O-OG1 2.83Å |
| 341 | M | 71.5 | Confident | 76.4 | Confident | 112 Ų | 112 | 107.4 Ų | 107.4 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.8 | -40.4 | 176.1 | -77.1 | -107.5 | -74.2 | 0 | 0 | 112.6 | D337 Q338 T344 K345 | D337-M341 VanDerWaalsContact O-CB 3.29Å; D337-M341 WeakPolarHBondContact O-CB 3.46Å; D337-M341 WeakPolarHBondContact O-CG 3.39Å; D337-M341 PolarHBondContact O-N 3.32Å; Q338-M341 PolarHBondContact O-N 2.85Å; M341-T344 WeakPolarHBondContact CA-OG1 3.25Å; M341-T344 PolarHBondContact O-OG1 3.29Å; M341-K345 WeakPolarHBondContact O-CB 3.38Å; M341-K345 VanDerWaalsContact O-CG 3.26Å; M341-K345 WeakPolarHBondContact O-CG 3.4Å; M341-K345 PolarHBondContact O-N 2.84Å |
| 342 | E | 77.7 | Confident | 75.8 | Confident | 112 Ų | 112 | 107.8 Ų | 107.8 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | 174.2 | -75.1 | -164.4 | 178.8 | 0 | 0 | 112.2 | Q338 M339 V340 K346 | Q338-E342 WeakPolarHBondContact O-CG 3.49Å; Q338-E342 PolarHBondContact O-N 3.43Å; M339-E342 PolarHBondContact O-N 3.2Å; V340-E342 PolarHBondContact O-N 3.1Å; E342-K346 WeakPolarHBondContact O-CB 3.49Å; E342-K346 VanDerWaalsContact O-CG 3.3Å; E342-K346 WeakPolarHBondContact O-CG 3.49Å; E342-K346 PolarHBondContact O-N 3.24Å; E342-K346 IonicContact OE2-NZ 3.85Å |
| 343 | F | 77.3 | Confident | 75.4 | Confident | 148 Ų | 148 | 108.4 Ų | 108.4 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.8 | -43.8 | 176 | -176 | -96.3 | 0 | 0 | 0 | 111.7 | M339 V340 K346 K347 | M339-F343 WeakPolarHBondContact O-CB 3.08Å; M339-F343 PolarHBondContact O-N 3.31Å; V340-F343 PolarHBondContact O-N 2.86Å; F343-K346 PolarHBondContact O-N 3.45Å; F343-K347 WeakPolarHBondContact O-CB 3.42Å; F343-K347 PolarHBondContact O-N 3.36Å |
| 344 | T | 73.4 | Confident | 74.7 | Confident | 64 Ų | 64 | 109.4 Ų | 109.4 | 39% | 0.393 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 177 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | V340 M341 K346 K347 M348 | V340-T344 HydrophobicContact CG1-CG2 4.29Å; V340-T344 VanDerWaalsContact O-CG2 3.27Å; V340-T344 WeakPolarHBondContact O-CG2 3.11Å; V340-T344 PolarHBondContact O-N 3.08Å; V340-T344 PolarHBondContact O-OG1 2.83Å; M341-T344 WeakPolarHBondContact CA-OG1 3.25Å; M341-T344 PolarHBondContact O-OG1 3.29Å; T344-K346 PolarHBondContact O-N 3.42Å; T344-K347 PolarHBondContact O-N 3.42Å; T344-M348 WeakPolarHBondContact O-CB 3.33Å; T344-M348 VanDerWaalsContact O-CG 3.25Å; T344-M348 WeakPolarHBondContact O-CG 3.43Å; T344-M348 PolarHBondContact O-N 2.88Å |
| 345 | K | 74.8 | Confident | 74 | Confident | 143 Ų | 143 | 109.6 Ų | 109.6 | 62% | 0.622 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.4 | -44.8 | 172.7 | -77.1 | 175.7 | -177.8 | 179.5 | 0 | 112.3 | M341 K347 M348 A349 | M341-K345 WeakPolarHBondContact O-CB 3.38Å; M341-K345 VanDerWaalsContact O-CG 3.26Å; M341-K345 WeakPolarHBondContact O-CG 3.4Å; M341-K345 PolarHBondContact O-N 2.84Å; K345-K347 VanDerWaalsContact C-N 3.34Å; K345-K347 PolarHBondContact O-N 3.27Å; K345-M348 PolarHBondContact O-N 2.95Å; K345-A349 WeakPolarHBondContact O-CB 3.5Å; K345-A349 PolarHBondContact O-N 3.31Å |
| 346 | K | 76.2 | Confident | 73.5 | Confident | 120 Ų | 120 | 107.2 Ų | 107.2 | 52% | 0.522 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.2 | -35.8 | 176.7 | -74.1 | 169.2 | -176.8 | 163.1 | 0 | 112.2 | E342 F343 T344 R350 | E342-K346 WeakPolarHBondContact O-CB 3.49Å; E342-K346 VanDerWaalsContact O-CG 3.3Å; E342-K346 WeakPolarHBondContact O-CG 3.49Å; E342-K346 PolarHBondContact O-N 3.24Å; E342-K346 IonicContact OE2-NZ 3.85Å; F343-K346 PolarHBondContact O-N 3.45Å; T344-K346 PolarHBondContact O-N 3.42Å; K346-R350 WeakPolarHBondContact O-CG 3.45Å; K346-R350 PolarHBondContact O-N 3.21Å |
| 347 | K | 74.8 | Confident | 72.9 | Confident | 114 Ų | 114 | 111 Ų | 111 | 50% | 0.496 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.3 | -48.1 | 174.7 | -173.2 | -178.5 | 170.8 | -172.2 | 0 | 111.5 | F343 T344 K345 A349 R350 E351 | F343-K347 WeakPolarHBondContact O-CB 3.42Å; F343-K347 PolarHBondContact O-N 3.36Å; T344-K347 PolarHBondContact O-N 3.42Å; K345-K347 VanDerWaalsContact C-N 3.34Å; K345-K347 PolarHBondContact O-N 3.27Å; K347-A349 VanDerWaalsContact C-N 3.31Å; K347-A349 PolarHBondContact O-N 2.82Å; K347-R350 PolarHBondContact O-N 3.45Å; K347-E351 WeakPolarHBondContact CE-OE1 3.21Å; K347-E351 IonicContact NZ-OE1 3.81Å; K347-E351 PolarHBondContact O-N 2.77Å |
| 348 | M | 63.9 | Low | 72.1 | Confident | 125 Ų | 125 | 111.3 Ų | 111.3 | 62% | 0.616 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.3 | -38.4 | 177.3 | -69.5 | -68.4 | -64.1 | 0 | 0 | 112.1 | T344 K345 E351 A352 | T344-M348 WeakPolarHBondContact O-CB 3.33Å; T344-M348 VanDerWaalsContact O-CG 3.25Å; T344-M348 WeakPolarHBondContact O-CG 3.43Å; T344-M348 PolarHBondContact O-N 2.88Å; K345-M348 PolarHBondContact O-N 2.95Å; M348-E351 PolarHBondContact O-N 3.11Å; M348-A352 VanDerWaalsContact O-CB 3.31Å; M348-A352 WeakPolarHBondContact O-CB 3.33Å; M348-A352 PolarHBondContact O-N 2.89Å |
| 349 | A | 74.1 | Confident | 71.3 | Confident | 50 Ų | 50 | 110.5 Ų | 110.5 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K345 K347 A352 E353 | K345-A349 WeakPolarHBondContact O-CB 3.5Å; K345-A349 PolarHBondContact O-N 3.31Å; K347-A349 VanDerWaalsContact C-N 3.31Å; K347-A349 PolarHBondContact O-N 2.82Å; A349-A352 PolarHBondContact O-N 3.46Å; A349-E353 WeakPolarHBondContact O-CG 3.28Å; A349-E353 PolarHBondContact O-N 2.75Å |
| 350 | R | 71.6 | Confident | 70.7 | Confident | 175 Ų | 175 | 112.7 Ų | 112.7 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68 | -39.1 | 176.9 | -68.3 | 179.4 | -158.9 | 170.2 | 4 | 112.7 | K346 K347 E353 F354 | K346-R350 WeakPolarHBondContact O-CG 3.45Å; K346-R350 PolarHBondContact O-N 3.21Å; K347-R350 PolarHBondContact O-N 3.45Å; R350-E353 PolarHBondContact O-N 3.5Å; R350-F354 PolarHBondContact O-N 3.43Å; R350-F354 VanDerWaalsContact O-N 3.08Å |
| 351 | E | 69.1 | Low | 70.2 | Confident | 94 Ų | 94 | 112.9 Ų | 112.9 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 176.6 | -73.2 | 175.2 | 177.5 | 0 | 0 | 111.2 | K347 M348 F354 E355 | K347-E351 WeakPolarHBondContact CE-OE1 3.21Å; K347-E351 IonicContact NZ-OE1 3.81Å; K347-E351 PolarHBondContact O-N 2.77Å; M348-E351 PolarHBondContact O-N 3.11Å; E351-F354 PolarHBondContact O-N 3.2Å; E351-E355 PolarHBondContact O-N 3.19Å |
| 352 | A | 71 | Confident | 69.9 | Low | 56 Ų | 56 | 115.6 Ų | 115.6 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | M348 A349 F354 A356 | M348-A352 VanDerWaalsContact O-CB 3.31Å; M348-A352 WeakPolarHBondContact O-CB 3.33Å; M348-A352 PolarHBondContact O-N 2.89Å; A349-A352 PolarHBondContact O-N 3.46Å; A352-F354 VanDerWaalsContact C-N 3.33Å; A352-A356 WeakPolarHBondContact O-CB 3.12Å; A352-A356 PolarHBondContact O-N 2.81Å |
| 353 | E | 72.4 | Confident | 69.2 | Low | 135 Ų | 135 | 116.6 Ų | 116.6 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 172.5 | -74.1 | 170.9 | -178.9 | 0 | 0 | 111.3 | A349 R350 A356 E357 | A349-E353 WeakPolarHBondContact O-CG 3.28Å; A349-E353 PolarHBondContact O-N 2.75Å; R350-E353 PolarHBondContact O-N 3.5Å; E353-A356 PolarHBondContact O-N 2.77Å; E353-E357 PolarHBondContact O-N 3.5Å |
| 354 | F | 64.8 | Low | 68.7 | Low | 131 Ų | 131 | 116 Ų | 116 | 58% | 0.575 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.5 | -38.9 | 179.2 | -138.9 | -91 | 0 | 0 | 0 | 113 | R350 E351 A352 E357 Q358 | R350-F354 PolarHBondContact O-N 3.43Å; R350-F354 VanDerWaalsContact O-N 3.08Å; E351-F354 PolarHBondContact O-N 3.2Å; A352-F354 VanDerWaalsContact C-N 3.33Å; F354-E357 PolarHBondContact O-N 3.46Å; F354-Q358 PolarHBondContact O-N 3.14Å; F354-Q358 VanDerWaalsContact O-N 3.15Å |
| 355 | E | 67 | Low | 68.4 | Low | 139 Ų | 139 | 119.4 Ų | 119.4 | 65% | 0.65 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.5 | -40.3 | 174 | -87.6 | -174.1 | 157.4 | 0 | 0 | 112.1 | E351 E357 Q358 E359 | E351-E355 PolarHBondContact O-N 3.19Å; E355-E357 VanDerWaalsContact C-N 3.31Å; E355-E357 PolarHBondContact O-N 3.06Å; E355-Q358 PolarHBondContact O-N 2.92Å; E355-E359 PolarHBondContact O-N 3.24Å |
| 356 | A | 69.5 | Low | 67.8 | Low | 53 Ų | 53 | 119 Ų | 119 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -39.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A352 E353 R360 | A352-A356 WeakPolarHBondContact O-CB 3.12Å; A352-A356 PolarHBondContact O-N 2.81Å; E353-A356 PolarHBondContact O-N 2.77Å; A356-R360 WeakPolarHBondContact O-CG 3.24Å; A356-R360 PolarHBondContact O-N 2.85Å |
| 357 | E | 67.2 | Low | 67.4 | Low | 128 Ų | 128 | 121.1 Ų | 121.1 | 60% | 0.598 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.2 | -43.6 | 174.1 | -77.9 | -170.2 | 158.5 | 0 | 0 | 112.6 | E353 F354 E355 E359 R360 I361 | E353-E357 PolarHBondContact O-N 3.5Å; F354-E357 PolarHBondContact O-N 3.46Å; E355-E357 VanDerWaalsContact C-N 3.31Å; E355-E357 PolarHBondContact O-N 3.06Å; E357-E359 VanDerWaalsContact C-N 3.33Å; E357-E359 PolarHBondContact O-N 2.95Å; E357-R360 PolarHBondContact O-N 3.45Å; E357-I361 PolarHBondContact O-N 2.91Å |
| 358 | Q | 63.1 | Low | 66.6 | Low | 93 Ų | 93 | 122.3 Ų | 122.3 | 44% | 0.435 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.1 | -36.6 | 177.4 | -73.9 | -166.6 | 10.8 | 0 | 0 | 112.8 | F354 E355 I361 R362 | F354-Q358 PolarHBondContact O-N 3.14Å; F354-Q358 VanDerWaalsContact O-N 3.15Å; E355-Q358 PolarHBondContact O-N 2.92Å; Q358-I361 PolarHBondContact O-N 3.49Å; Q358-R362 PolarHBondContact O-N 3.21Å |
| 359 | E | 61.6 | Low | 66.5 | Low | 102 Ų | 102 | 120.5 Ų | 120.5 | 48% | 0.477 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.7 | -35 | 176.3 | -82.7 | -161.2 | 154.7 | 0 | 0 | 112.9 | E355 E357 I361 R362 R363 | E355-E359 PolarHBondContact O-N 3.24Å; E357-E359 VanDerWaalsContact C-N 3.33Å; E357-E359 PolarHBondContact O-N 2.95Å; E359-I361 VanDerWaalsContact C-N 3.33Å; E359-R362 PolarHBondContact O-N 3.24Å; E359-R363 WeakPolarHBondContact O-CB 3.4Å; E359-R363 WeakPolarHBondContact O-CG 3.43Å; E359-R363 PolarHBondContact O-N 3.44Å; E359-R363 IonicContact OE1-NH2 3.96Å; E359-R363 IonicContact OE2-CZ 3.5Å; E359-R363 IonicContact OE2-NH1 3.59Å; E359-R363 IonicContact OE2-NH2 2.72Å; E359-R363 PolarHBondContact OE2-NH2 3.4Å |
| 360 | R | 67 | Low | 66.1 | Low | 186 Ų | 186 | 121.1 Ų | 121.1 | 70% | 0.702 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.7 | -42.3 | 175.2 | -65.7 | -163.1 | 96.1 | 175.5 | 6.9 | 111.1 | A356 E357 R363 E364 | A356-R360 WeakPolarHBondContact O-CG 3.24Å; A356-R360 PolarHBondContact O-N 2.85Å; E357-R360 PolarHBondContact O-N 3.45Å; R360-R363 PolarHBondContact O-N 3.05Å; R360-E364 PolarHBondContact O-N 2.95Å |
| 361 | I | 66.3 | Low | 65.7 | Low | 91 Ų | 91 | 122.9 Ų | 122.9 | 47% | 0.467 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.2 | -39 | 178 | -62.9 | 168.5 | 0 | 0 | 0 | 111.3 | E357 Q358 E359 K365 | E357-I361 PolarHBondContact O-N 2.91Å; Q358-I361 PolarHBondContact O-N 3.49Å; E359-I361 VanDerWaalsContact C-N 3.33Å; I361-K365 HydrophobicContact CG2-CD 4.46Å; I361-K365 WeakPolarHBondContact O-CG 3.41Å; I361-K365 PolarHBondContact O-N 2.9Å |
| 362 | R | 64.9 | Low | 65.3 | Low | 169 Ų | 169 | 123.8 Ų | 123.8 | 64% | 0.638 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.8 | -43.8 | 175.7 | -75.2 | -171.7 | -167 | -172.8 | 7.4 | 112.5 | Q358 E359 E364 K365 E366 | Q358-R362 PolarHBondContact O-N 3.21Å; E359-R362 PolarHBondContact O-N 3.24Å; R362-E364 VanDerWaalsContact C-N 3.28Å; R362-E364 PolarHBondContact O-N 3.46Å; R362-K365 PolarHBondContact O-N 2.69Å; R362-E366 PolarHBondContact O-N 2.85Å |
| 363 | R | 63.3 | Low | 65.1 | Low | 133 Ų | 133 | 129.6 Ų | 129.6 | 50% | 0.502 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.7 | -30.9 | 179.5 | -74.1 | -174 | -165.4 | 109.4 | 4.7 | 113.1 | E359 R360 K367 | E359-R363 WeakPolarHBondContact O-CB 3.4Å; E359-R363 WeakPolarHBondContact O-CG 3.43Å; E359-R363 PolarHBondContact O-N 3.44Å; E359-R363 IonicContact OE1-NH2 3.96Å; E359-R363 IonicContact OE2-CZ 3.5Å; E359-R363 IonicContact OE2-NH1 3.59Å; E359-R363 IonicContact OE2-NH2 2.72Å; E359-R363 PolarHBondContact OE2-NH2 3.4Å; R360-R363 PolarHBondContact O-N 3.05Å; R363-K367 WeakPolarHBondContact O-CG 3.09Å; R363-K367 PolarHBondContact O-N 2.86Å |
| 364 | E | 67.5 | Low | 64.5 | Low | 136 Ų | 136 | 125.9 Ų | 125.9 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.3 | -44.5 | 174.4 | -74.7 | 178.5 | 176.8 | 0 | 0 | 111.7 | R360 R362 E366 K367 E368 | R360-E364 PolarHBondContact O-N 2.95Å; R362-E364 VanDerWaalsContact C-N 3.28Å; R362-E364 PolarHBondContact O-N 3.46Å; E364-E366 VanDerWaalsContact C-N 3.35Å; E364-E366 PolarHBondContact O-N 2.96Å; E364-K367 PolarHBondContact O-N 3.27Å; E364-E368 PolarHBondContact O-N 2.82Å |
| 365 | K | 65.8 | Low | 64.2 | Low | 134 Ų | 134 | 127.1 Ų | 127.1 | 58% | 0.583 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.3 | -34.6 | 177.8 | -69.4 | -177.7 | 178.9 | -175.4 | 0 | 113 | I361 R362 E368 I369 | I361-K365 HydrophobicContact CG2-CD 4.46Å; I361-K365 WeakPolarHBondContact O-CG 3.41Å; I361-K365 PolarHBondContact O-N 2.9Å; R362-K365 PolarHBondContact O-N 2.69Å; K365-E368 PolarHBondContact O-N 2.94Å; K365-I369 WeakPolarHBondContact O-CD1 3.43Å; K365-I369 VanDerWaalsContact O-CG1 3.31Å; K365-I369 WeakPolarHBondContact O-CG1 3.06Å; K365-I369 PolarHBondContact O-N 2.98Å |
| 366 | E | 62.4 | Low | 63.7 | Low | 134 Ų | 134 | 126.6 Ų | 126.6 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.6 | -35.5 | 176.6 | -79.8 | -175.5 | 158.8 | 0 | 0 | 113.3 | R362 E364 E368 I369 A370 | R362-E366 PolarHBondContact O-N 2.85Å; E364-E366 VanDerWaalsContact C-N 3.35Å; E364-E366 PolarHBondContact O-N 2.96Å; E366-E368 VanDerWaalsContact C-N 3.27Å; E366-E368 PolarHBondContact O-N 3.36Å; E366-I369 PolarHBondContact O-N 3.39Å; E366-A370 WeakPolarHBondContact O-CB 3.32Å; E366-A370 PolarHBondContact O-N 2.92Å |
| 367 | K | 68.5 | Low | 63.3 | Low | 165 Ų | 165 | 130.3 Ų | 130.3 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66 | -31.1 | 177.2 | -74.5 | 176.2 | -178.7 | 179.6 | 0 | 112.5 | R363 E364 | R363-K367 WeakPolarHBondContact O-CG 3.09Å; R363-K367 PolarHBondContact O-N 2.86Å; E364-K367 PolarHBondContact O-N 3.27Å |
| 368 | E | 58.1 | Low | 62.7 | Low | 139 Ų | 139 | 132.4 Ų | 132.4 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -78.2 | -38.6 | 178.8 | -151.9 | 167.1 | -156 | 0 | 0 | 111.8 | E364 K365 E366 R371 L372 | E364-E368 PolarHBondContact O-N 2.82Å; K365-E368 PolarHBondContact O-N 2.94Å; E366-E368 VanDerWaalsContact C-N 3.27Å; E366-E368 PolarHBondContact O-N 3.36Å; E368-R371 PolarHBondContact O-N 3.34Å; E368-L372 PolarHBondContact O-N 2.7Å |
| 369 | I | 61 | Low | 62.4 | Low | 88 Ų | 88 | 130.9 Ų | 130.9 | 45% | 0.451 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.8 | -37.4 | 176 | -65.1 | 167.1 | 0 | 0 | 0 | 111.7 | K365 E366 R371 L372 R373 | K365-I369 WeakPolarHBondContact O-CD1 3.43Å; K365-I369 VanDerWaalsContact O-CG1 3.31Å; K365-I369 WeakPolarHBondContact O-CG1 3.06Å; K365-I369 PolarHBondContact O-N 2.98Å; E366-I369 PolarHBondContact O-N 3.39Å; I369-R371 VanDerWaalsContact C-N 3.26Å; I369-R371 PolarHBondContact O-N 2.79Å; I369-L372 PolarHBondContact O-N 2.91Å; I369-R373 PolarHBondContact O-N 3.02Å |
| 370 | A | 66.2 | Low | 62 | Low | 63 Ų | 63 | 132.6 Ų | 132.6 | 52% | 0.521 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.9 | -35.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E366 A374 | E366-A370 WeakPolarHBondContact O-CB 3.32Å; E366-A370 PolarHBondContact O-N 2.92Å; A370-A374 PolarHBondContact O-N 3.14Å |
| 371 | R | 63.3 | Low | 61.1 | Low | 212 Ų | 212 | 129.6 Ų | 129.6 | 80% | 0.8 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.2 | -35.2 | 178.9 | -144.9 | 180 | -169 | 174 | 2.9 | 112.4 | E368 I369 | E368-R371 PolarHBondContact O-N 3.34Å; I369-R371 VanDerWaalsContact C-N 3.26Å; I369-R371 PolarHBondContact O-N 2.79Å |
| 372 | L | 61.5 | Low | 60.5 | Low | 112 Ų | 112 | 135.3 Ų | 135.3 | 59% | 0.586 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77 | -33.3 | 178.6 | -71.2 | 168.3 | 0 | 0 | 0 | 112.9 | E368 I369 M375 Q376 | E368-L372 PolarHBondContact O-N 2.7Å; I369-L372 PolarHBondContact O-N 2.91Å; L372-M375 PolarHBondContact O-N 2.91Å; L372-Q376 PolarHBondContact O-N 3.09Å |
| 373 | R | 66.3 | Low | 59.6 | Low | 178 Ų | 178 | 135.2 Ų | 135.2 | 67% | 0.672 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.7 | -41.9 | 173.2 | -90.5 | -176 | -170.1 | 144 | 4.8 | 113.3 | I369 M375 Q376 E377 | I369-R373 PolarHBondContact O-N 3.02Å; R373-M375 PolarHBondContact O-N 3.28Å; R373-Q376 PolarHBondContact O-N 2.89Å; R373-E377 PolarHBondContact O-N 3.31Å; R373-E377 VanDerWaalsContact O-N 3.12Å |
| 374 | A | 59.8 | Low | 58.7 | Low | 58 Ų | 58 | 133 Ų | 133 | 48% | 0.479 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.7 | -21.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A370 | A370-A374 PolarHBondContact O-N 3.14Å |
| 375 | M | 57.7 | Low | 57.6 | Low | 156 Ų | 156 | 135.4 Ų | 135.4 | 77% | 0.768 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -87.7 | -30.8 | 176.7 | -148.6 | -160.1 | -100.3 | 0 | 0 | 112.5 | L372 R373 | L372-M375 PolarHBondContact O-N 2.91Å; R373-M375 PolarHBondContact O-N 3.28Å |
| 376 | Q | 57.6 | Low | 56 | Low | 128 Ų | 128 | 137.1 Ų | 137.1 | 60% | 0.598 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.1 | -34.9 | 177.2 | -74.7 | 178.8 | -8.3 | 0 | 0 | 112.7 | L372 R373 K378 A379 Q380 | L372-Q376 PolarHBondContact O-N 3.09Å; R373-Q376 PolarHBondContact O-N 2.89Å; Q376-K378 PolarHBondContact O-N 3.38Å; Q376-A379 PolarHBondContact O-N 3.06Å; Q376-Q380 PolarHBondContact O-N 3.24Å |
| 377 | E | 59.2 | Low | 54.5 | Low | 131 Ų | 131 | 138.5 Ų | 138.5 | 61% | 0.612 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.1 | -36.6 | -179.1 | -160.8 | 171.9 | -174.8 | 0 | 0 | 112.2 | R373 A379 Q380 D381 | R373-E377 PolarHBondContact O-N 3.31Å; R373-E377 VanDerWaalsContact O-N 3.12Å; E377-A379 VanDerWaalsContact C-N 3.29Å; E377-A379 PolarHBondContact O-N 3.33Å; E377-Q380 PolarHBondContact O-N 3.37Å; E377-D381 PolarHBondContact O-N 3.19Å |
| 378 | K | 56.7 | Low | 52.5 | Low | 172 Ų | 172 | 139.7 Ų | 139.7 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.1 | -19.6 | 175.7 | -76.3 | -175.3 | 176.3 | -178.1 | 0 | 115.1 | Q376 | Q376-K378 PolarHBondContact O-N 3.38Å |
| 379 | A | 56.5 | Low | 50.9 | Low | 62 Ų | 62 | 138 Ų | 138 | 51% | 0.512 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -90.9 | -23.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q376 E377 | Q376-A379 PolarHBondContact O-N 3.06Å; E377-A379 VanDerWaalsContact C-N 3.29Å; E377-A379 PolarHBondContact O-N 3.33Å |
| 380 | Q | 52.4 | Low | 49.2 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 65% | 0.645 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -83.2 | -26.9 | 178.3 | -70.3 | -172.9 | -8.5 | 0 | 0 | 112.8 | Q376 E377 Y382 Q383 | Q376-Q380 PolarHBondContact O-N 3.24Å; E377-Q380 PolarHBondContact O-N 3.37Å; Q380-Y382 VanDerWaalsContact C-N 3.29Å; Q380-Y382 PolarHBondContact O-N 3.22Å; Q380-Q383 PolarHBondContact O-N 3.37Å |
| 381 | D | 48.6 | Very low | 47.2 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -16.4 | 176 | -82.1 | -16.4 | 0 | 0 | 0 | 114.6 | E377 | E377-D381 PolarHBondContact O-N 3.19Š|
| 382 | Y | 52.7 | Low | 45.5 | Very low | 211 Ų | 211 | 138.2 Ų | 138.2 | 83% | 0.827 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -13.4 | 176.2 | -107.7 | -86.9 | 0 | 0 | 0 | 114.3 | Q380 | Q380-Y382 VanDerWaalsContact C-N 3.29Å; Q380-Y382 PolarHBondContact O-N 3.22Å |
| 383 | Q | 46.3 | Very low | 43.9 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -100.5 | -2.9 | -178.3 | -74.3 | -173.6 | -22.3 | 0 | 0 | 113.5 | Q380 | Q380-Q383 PolarHBondContact O-N 3.37Š|
| 384 | A | 43.6 | Very low | 43.1 | Very low | 86 Ų | 86 | 133.5 Ų | 133.5 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -95.4 | -2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 385 | E | 44.9 | Very low | 41.8 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -99.7 | 5 | -179.1 | -80.6 | -168.8 | 159.1 | 0 | 0 | 116.1 | ||
| 386 | Q | 33 | Very low | 41.4 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -139.4 | 120.1 | 173.8 | -69.2 | -173.3 | 11.7 | 0 | 0 | 113 | ||
| 387 | L | 30.3 | Very low | 40 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | 77.3 | 141.2 | 167.8 | -60.7 | 172 | 0 | 0 | 0 | 115.6 | ||||
| 388 | F | 26.2 | Very low | 38.7 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | cis | -172.2 | 165.8 | 2.5 | -172.9 | -103 | 0 | 0 | 0 | 109.4 | ||||
| 389 | C | 25.4 | Very low | 38.4 | Very low | 105 Ų | 105 | 136 Ų | 136 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | -62.7 | 160.2 | 178.3 | -69.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 390 | A | 24.2 | Very low | 37.4 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | 94.1 | 119.1 | 139.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 391 | L | 25.3 | Very low | 36.5 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 78.4 | 119.7 | 131.8 | -67.4 | 167.9 | 0 | 0 | 0 | 122.8 | ||||
| 392 | T | 27.2 | Very low | 35.9 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | 62.8 | 132.3 | 129.3 | 59.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 393 | G | 27 | Very low | 35.3 | Very low | 74 Ų | 74 | 132.2 Ų | 132.2 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | 111.6 | 160.2 | 126 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 394 | P | 49.4 | Very low | 34.7 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -127.5 | 166.7 | -135.7 | 38.6 | -23 | 0 | 0 | 0 | 117.6 | ||||
| 395 | L | 33.6 | Very low | 34.4 | Very low | 167 Ų | 167 | 133 Ų | 133 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 57.1 | 173.5 | 153.9 | -83 | 163.7 | 0 | 0 | 0 | 117.7 | ||||
| 396 | P | 49.1 | Very low | 33.9 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | cis | -141.5 | -171.3 | -13.8 | 31 | -6.1 | 0 | 0 | 0 | 116.6 | ||||
| 397 | T | 27.9 | Very low | 34.5 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | trans | 80.5 | 115.6 | 142.6 | 51.7 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 398 | F | 32.1 | Very low | 35.9 | Very low | 196 Ų | 196 | 126.4 Ų | 126.4 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | 45.6 | 172.2 | 124 | -76.4 | -70.9 | 0 | 0 | 0 | 123.8 | |||||
| 399 | P | 51.5 | Low | 36.4 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | cis | -138.3 | 175.8 | -34 | 36 | -16.9 | 0 | 0 | 0 | 116.5 | ||||
| 400 | G | 33.7 | Very low | 37 | Very low | 71 Ų | 71 | 119.9 Ų | 119.9 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | 125.6 | 124.3 | 137.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 401 | C | 33.7 | Very low | 37.6 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 66.8 | 148 | 146 | -67.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 402 | L | 37.8 | Very low | 38.3 | Very low | 157 Ų | 157 | 124 Ų | 124 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | cis | -170.2 | 151.6 | -0.1 | -102.5 | 166.1 | 0 | 0 | 0 | 111.2 | ||||
| 403 | A | 38.5 | Very low | 38.9 | Very low | 101 Ų | 101 | 123 Ų | 123 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | 55.1 | 144.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 404 | G | 33.3 | Very low | 39.5 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | cis | 179.1 | 173.3 | 1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 405 | Q | 38.6 | Very low | 39.1 | Very low | 202 Ų | 202 | 129.9 Ų | 129.9 | 94% | 0.944 | 78% | 0.776 | S | S | * | * | trans | 56.7 | 145.8 | 146 | -65.9 | -170.8 | 30.2 | 0 | 0 | 121.8 | ||||
| 406 | A | 35 | Very low | 39.4 | Very low | 78 Ų | 78 | 126 Ų | 126 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | cis | -167.4 | 137.2 | -1.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 407 | Q | 43.8 | Very low | 39.2 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | 84.7 | 164 | 101.6 | -82.4 | -158.2 | 30.1 | 0 | 0 | 118.7 | |||||
| 408 | P | 61.3 | Low | 39.9 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | -145.9 | -173.5 | -78.2 | 38.7 | -14.1 | 0 | 0 | 0 | 117 | |||||
| 409 | G | 35.8 | Very low | 40.5 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | 125 | 134.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 410 | G | 38.6 | Very low | 40.2 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | 175.1 | 156.1 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 411 | C | 36.7 | Very low | 40.7 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 66.9 | 112.2 | 154.7 | -68.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 412 | R | 40.5 | Very low | 41.4 | Very low | 205 Ų | 205 | 135.5 Ų | 135.5 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | 85.5 | 143.1 | 76.3 | -80.4 | -169.3 | 174.2 | -148.6 | 10.9 | 112.9 | |||||
| 413 | Q | 39.9 | Very low | 41.6 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 50% | 0.5 | 79% | 0.789 | S | S | . | * | cis | -175 | 147.7 | -2.6 | -110 | 170 | -13.4 | 0 | 0 | 110.1 | ||||
| 414 | R | 38.6 | Very low | 42 | Very low | 211 Ų | 211 | 134 Ų | 134 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 57.6 | 160.7 | 136.3 | -65.1 | -173.9 | -156.5 | -147 | 0.2 | 121.7 | ||||
| 415 | V | 42 | Very low | 42.5 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | cis | 178.7 | 156.9 | -29.7 | 149.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 416 | A | 39.1 | Very low | 43.1 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | 77.3 | 128.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 417 | Q | 45.7 | Very low | 43.9 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | cis | 101.5 | 143.1 | 47.4 | -102.7 | -164.5 | 24.2 | 0 | 0 | 113.6 | ||||
| 418 | K | 41.6 | Very low | 44 | Very low | 189 Ų | 189 | 137 Ų | 137 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 80.6 | 128.9 | 166.6 | -67.5 | 174 | 179.1 | 174.9 | 0 | 115.8 | ||||
| 419 | G | 45.7 | Very low | 43.5 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | cis | 86.8 | 92.8 | 20.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 420 | K | 45.4 | Very low | 44.7 | Very low | 209 Ų | 209 | 146.9 Ų | 146.9 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -177.5 | 105.4 | 157.1 | -104 | 173.2 | -173.8 | -172.8 | 0 | 109.9 | ||||
| 421 | G | 43.6 | Very low | 44.9 | Very low | 80 Ų | 80 | 150.8 Ų | 150.8 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | trans | -86.6 | 143.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 422 | K | 48.3 | Very low | 45.3 | Very low | 210 Ų | 210 | 152.4 Ų | 152.4 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | trans | -133 | 141.7 | 172.4 | -102.8 | -170.7 | 174.4 | -170.1 | 0 | 109.3 | ||||
| 423 | C | 42.8 | Very low | 45.5 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 89% | 0.885 | 85% | 0.848 | S | S | * | * | trans | -75.4 | 156.9 | -178.4 | -45.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 424 | A | 46.9 | Very low | 45.9 | Very low | 95 Ų | 95 | 151.9 Ų | 151.9 | 79% | 0.785 | 87% | 0.868 | S | S | * | * | trans | -168 | 112.6 | 141.7 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 425 | E | 43.1 | Very low | 46.3 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 80% | 0.804 | 87% | 0.872 | S | S | * | * | 63.1 | 93.7 | 56.2 | -153.3 | 171.5 | -141.4 | 0 | 0 | 112.2 | |||||
| 426 | E | 51.2 | Low | 46.6 | Very low | 200 Ų | 200 | 149.8 Ų | 149.8 | 94% | 0.935 | 88% | 0.878 | S | S | * | * | trans | -141.1 | 125 | 145.5 | -81.4 | -164.1 | 162.2 | 0 | 0 | 109 | ||||
| 427 | D | 50.8 | Low | 47.1 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 80% | 0.802 | 89% | 0.89 | S | S | * | * | trans | -79.5 | 142.1 | 179.4 | -80.4 | -51 | 0 | 0 | 0 | 112.6 | ||||
| 428 | G | 46.1 | Very low | 47.1 | Very low | 77 Ų | 77 | 153 Ų | 153 | 79% | 0.794 | 90% | 0.897 | S | S | * | * | 55.5 | 123.6 | 128.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 429 | N | 51.8 | Low | 47.6 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 90% | 0.898 | 90% | 0.903 | S | S | * | * | -155.3 | 145.6 | 119.2 | -145.1 | -3.9 | 0 | 0 | 0 | 113.3 | |||||
| 430 | R | 60.3 | Low | 47.7 | Very low | 240 Ų | 240 | 157.3 Ų | 157.3 | 91% | 0.906 | 92% | 0.921 | S | S | * | * | trans | -82.5 | 158.1 | 173.6 | -66.3 | 176.4 | -174.4 | -164 | 0.5 | 110.5 | ||||
| 431 | G | 42.7 | Very low | 47.9 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 100% | 1.598 | 92% | 0.922 | S | S | * | * | trans | 161 | 0 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 431 of 431 residues in 277.7 ms
(Link to these results)