| 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 | 51.7 | Low | 49.5 | Very low | 245 Ų | 245 | 157.3 Ų | 157.3 | 100% | 1.207 | 85% | 0.848 | S | S | * | * | 0 | 111.4 | 0 | -72.3 | 176.1 | -171 | 0 | 0 | 106.2 | |||||
| 2 | I | 41.1 | Very low | 49.2 | Very low | 160 Ų | 160 | 161.9 Ų | 161.9 | 82% | 0.821 | 86% | 0.855 | S | S | * | * | trans | -97.3 | 129.2 | 179.7 | -71.3 | 160.1 | 0 | 0 | 0 | 106 | ||||
| 3 | T | 54 | Low | 49.7 | Very low | 139 Ų | 139 | 160.8 Ų | 160.8 | 85% | 0.853 | 85% | 0.85 | S | S | * | * | trans | -151.8 | 107.3 | 158.9 | 0.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | P | 45.8 | Very low | 49.2 | Very low | 101 Ų | 101 | 162.6 Ų | 162.6 | 66% | 0.656 | 85% | 0.852 | S | S | * | * | trans | -101.8 | 137.7 | 160.9 | 35 | -24.2 | 0 | 0 | 0 | 109.4 | ||||
| 5 | L | 48.4 | Very low | 49 | Very low | 182 Ų | 182 | 156.3 Ų | 156.3 | 95% | 0.953 | 84% | 0.842 | S | S | * | * | trans | -169.2 | 130.6 | 169.5 | -126 | 89.3 | 0 | 0 | 0 | 105.4 | ||||
| 6 | G | 49.1 | Very low | 48.8 | Very low | 68 Ų | 68 | 155.3 Ų | 155.3 | 70% | 0.701 | 84% | 0.842 | S | S | * | * | cis | -173.2 | 159.4 | 4.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 7 | D | 46.3 | Very low | 48.5 | Very low | 142 Ų | 142 | 152.8 Ų | 152.8 | 76% | 0.759 | 83% | 0.833 | S | S | * | * | trans | -61.5 | 153.3 | -178.4 | -58 | -67.5 | 0 | 0 | 0 | 113.9 | ||||
| 8 | M | 56.3 | Low | 48.6 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 94% | 0.936 | 84% | 0.836 | S | S | * | * | trans | -140.2 | 95.4 | 149.4 | -78.1 | -152.4 | 160.1 | 0 | 0 | 109 | ||||
| 9 | D | 50.3 | Low | 48.2 | Very low | 140 Ų | 140 | 151 Ų | 151 | 75% | 0.749 | 83% | 0.828 | S | S | * | * | trans | -21.2 | 124.5 | 155.3 | -42.9 | -55.1 | 0 | 0 | 0 | 114.2 | ||||
| 10 | E | 50 | Low | 48.6 | Very low | 194 Ų | 194 | 153.3 Ų | 153.3 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | 75.4 | 143.2 | 84.2 | -92.6 | -161.1 | 170.2 | 0 | 0 | 116.2 | |||||
| 11 | E | 51.1 | Low | 48.3 | Very low | 169 Ų | 169 | 153.7 Ų | 153.7 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | 100.2 | 98.1 | 155.4 | -149.6 | 167.7 | -157.5 | 0 | 0 | 118.1 | ||||
| 12 | F | 45.8 | Very low | 47.6 | Very low | 213 Ų | 213 | 149.9 Ų | 149.9 | 93% | 0.934 | 81% | 0.807 | S | S | * | * | trans | -148.4 | 124.4 | 134.1 | -115.6 | -80.3 | 0 | 0 | 0 | 110.6 | ||||
| 13 | D | 55.7 | Low | 47.5 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -87.6 | 155.4 | -165.2 | -155 | 1.7 | 0 | 0 | 0 | 113.4 | ||||
| 14 | E | 43.6 | Very low | 46.9 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -78.3 | 161.1 | -178.4 | -75.1 | -159.6 | 148.1 | 0 | 0 | 113.9 | ||||
| 15 | G | 44.9 | Very low | 46.4 | Very low | 68 Ų | 68 | 151.3 Ų | 151.3 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | 150.1 | 122.4 | 136.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 16 | V | 47 | Very low | 45.9 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | 102.3 | 83.2 | 140.6 | -167.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 17 | V | 43.3 | Very low | 45.2 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | 15.4 | 132 | 123.4 | -167.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 18 | T | 50.1 | Low | 44.9 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -153.4 | 124 | 135.1 | -13.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 19 | D | 41.3 | Very low | 44.3 | Very low | 125 Ų | 125 | 149 Ų | 149 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | trans | -63.9 | 146 | 175.2 | -76.6 | -63 | 0 | 0 | 0 | 114 | ||||
| 20 | H | 56.2 | Low | 43.8 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | -147.8 | 134.4 | 140.9 | -92.9 | -6.5 | 0 | 0 | 0 | 112.5 | ||||
| 21 | H | 41.1 | Very low | 43.3 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | trans | -71.2 | 159.5 | -169.8 | -83.3 | -109.9 | 0 | 0 | 0 | 115.9 | ||||
| 22 | H | 38.6 | Very low | 42.4 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 65.9 | 133.5 | 145.3 | -99.7 | 29.4 | 0 | 0 | 0 | 116.4 | ||||
| 23 | T | 39.2 | Very low | 42.3 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | cis | -177.8 | 150.9 | 28 | -3.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 24 | H | 39.8 | Very low | 41.4 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 70% | 0.704 | 79% | 0.785 | S | S | * | * | trans | 77.2 | 102.4 | 142.5 | -143.8 | -88.7 | 0 | 0 | 0 | 121.4 | ||||
| 25 | E | 36.5 | Very low | 41.1 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 59.8 | 128.6 | 136.4 | -55.7 | -154.2 | 154.8 | 0 | 0 | 123.3 | ||||
| 26 | G | 37 | Very low | 40.9 | Very low | 76 Ų | 76 | 145 Ų | 145 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 158.1 | 74.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G28 | G26-G28 PolarHBondContact O-N 3.43Š| ||
| 27 | F | 35.2 | Very low | 40.5 | Very low | 233 Ų | 233 | 143.6 Ų | 143.6 | 100% | 1.022 | 78% | 0.782 | S | S | * | * | trans | -64.8 | 110.9 | 171.6 | -123.3 | -97.4 | 0 | 0 | 0 | 109.3 | ||||
| 28 | G | 39.5 | Very low | 40.2 | Very low | 66 Ų | 66 | 147 Ų | 147 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | -143.3 | 105.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | G26 | G26-G28 PolarHBondContact O-N 3.43Š| ||
| 29 | D | 43 | Very low | 39.7 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -54.6 | 126.7 | -177.7 | -167.7 | 12 | 0 | 0 | 0 | 113.5 | ||||
| 30 | P | 41.4 | Very low | 40.4 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -114.8 | 111.5 | 166.5 | 33.9 | -19.3 | 0 | 0 | 0 | 110.2 | ||||
| 31 | G | 38.6 | Very low | 40 | Very low | 57 Ų | 57 | 144.3 Ų | 144.3 | 59% | 0.588 | 78% | 0.775 | S | S | * | * | trans | 173 | 35 | 172.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | H33 | G31-H33 VanDerWaalsContact C-N 3.25Å; G31-H33 PolarHBondContact O-N 3.49Å | ||
| 32 | C | 32.5 | Very low | 40.6 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 91% | 0.912 | 76% | 0.757 | S | S | * | * | trans | -74.5 | 83.6 | 163.8 | -164.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 33 | H | 43.4 | Very low | 41.5 | Very low | 165 Ų | 165 | 136 Ų | 136 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | -84.1 | 111.4 | 164.3 | -83.9 | -66 | 0 | 0 | 0 | 109.6 | G31 Y35 | G31-H33 VanDerWaalsContact C-N 3.25Å; G31-H33 PolarHBondContact O-N 3.49Å; H33-Y35 PolarHBondContact O-N 2.85Å; H33-Y35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | Q | 37.6 | Very low | 42.2 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -36.9 | 103.6 | 169 | -168.9 | 157.5 | -17.7 | 0 | 0 | 113.2 | Q36 | Q34-Q36 PolarHBondContact O-N 2.91Š| ||
| 35 | Y | 36.8 | Very low | 42.4 | Very low | 220 Ų | 220 | 135.6 Ų | 135.6 | 86% | 0.863 | 75% | 0.745 | S | S | * | * | trans | -76.7 | 107.7 | 165.1 | -84 | -89.9 | 0 | 0 | 0 | 108.7 | H33 S37 | H33-Y35 PolarHBondContact O-N 2.85Å; H33-Y35 VanDerWaalsContact O-N 3.12Å; Y35-S37 PolarHBondContact O-N 2.72Å | ||
| 36 | Q | 41.7 | Very low | 43.8 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | trans | -64.2 | 112 | 157.9 | -95.1 | 177.3 | 8.1 | 0 | 0 | 108.3 | Q34 F38 | Q34-Q36 PolarHBondContact O-N 2.91Å; Q36-F38 PolarHBondContact O-N 3.46Å; Q36-F38 VanDerWaalsContact O-N 3.12Å | ||
| 37 | S | 36.9 | Very low | 45.1 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -54.3 | 111.4 | 164.7 | -73.4 | 0 | 0 | 0 | 0 | 109.7 | Y35 D39 | Y35-S37 PolarHBondContact O-N 2.72Å; S37-D39 PolarHBondContact O-N 3.49Å | ||
| 38 | F | 37.8 | Very low | 46.4 | Very low | 186 Ų | 186 | 126.7 Ų | 126.7 | 82% | 0.816 | 70% | 0.698 | S | S | * | * | trans | -81 | 92.4 | 163.2 | -93.2 | -90.3 | 0 | 0 | 0 | 108.4 | Q36 K40 | Q36-F38 PolarHBondContact O-N 3.46Å; Q36-F38 VanDerWaalsContact O-N 3.12Å; F38-K40 PolarHBondContact O-N 2.95Å | ||
| 39 | D | 39.5 | Very low | 47.5 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -64.2 | 123 | 167.3 | -97 | -54.3 | 0 | 0 | 0 | 110.2 | S37 S41 | S37-D39 PolarHBondContact O-N 3.49Å; D39-S41 PolarHBondContact O-N 3.3Å | ||
| 40 | K | 57 | Low | 48.6 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 77% | 0.765 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 15.8 | -175 | -110.7 | 169.8 | 176.8 | -77.6 | 0 | 113.6 | F38 | F38-K40 PolarHBondContact O-N 2.95Š|
| 41 | S | 47.8 | Very low | 49.2 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 5.8 | -169.3 | 50 | 0 | 0 | 0 | 0 | 114.9 | D39 | D39-S41 PolarHBondContact O-N 3.3Š|
| 42 | G | 52.5 | Low | 49.9 | Very low | 36 Ų | 36 | 138.4 Ų | 138.4 | 37% | 0.371 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -92.3 | 145.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N44 W45 | G42-N44 PolarHBondContact O-N 2.59Å; G42-W45 PolarHBondContact O-N 2.97Å |
| 43 | P | 58.1 | Low | 50.7 | Low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 0.8 | 179.1 | 23.7 | -32.7 | 0 | 0 | 0 | 115.6 | ||
| 44 | N | 53 | Low | 50.6 | Low | 118 Ų | 118 | 131.6 Ų | 131.6 | 63% | 0.631 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.7 | -27.6 | 179.4 | -158.5 | -15 | 0 | 0 | 0 | 112.9 | G42 V46 N47 M48 | G42-N44 PolarHBondContact O-N 2.59Å; N44-V46 VanDerWaalsContact C-N 3.34Å; N44-V46 PolarHBondContact O-N 3.19Å; N44-N47 PolarHBondContact O-N 3.42Å; N44-M48 PolarHBondContact O-N 3.06Å; N44-M48 VanDerWaalsContact O-N 3.09Å |
| 45 | W | 45.6 | Very low | 50.7 | Low | 134 Ų | 134 | 128.8 Ų | 128.8 | 51% | 0.508 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -63.7 | -36.5 | -179.1 | -100.6 | 90.1 | 0 | 0 | 0 | 113.7 | G42 M48 L49 | G42-W45 PolarHBondContact O-N 2.97Å; W45-M48 HydrophobicContact CE3-CE 4.5Å; W45-M48 HydrophobicContact CH2-CE 4.39Å; W45-M48 HydrophobicContact CZ3-CE 4.37Å; W45-M48 PolarHBondContact O-N 2.89Å; W45-L49 HydrophobicContact CE3-CD1 4.44Å; W45-L49 HydrophobicContact CZ3-CD1 4.35Å; W45-L49 PolarHBondContact O-N 3.39Å |
| 46 | V | 66.1 | Low | 51.1 | Low | 110 Ų | 110 | 125.1 Ų | 125.1 | 67% | 0.667 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -69.5 | -34.7 | 178.1 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | N44 R50 | N44-V46 VanDerWaalsContact C-N 3.34Å; N44-V46 PolarHBondContact O-N 3.19Å; V46-R50 WeakPolarHBondContact O-CB 3.29Å; V46-R50 PolarHBondContact O-N 3.42Å; V46-R50 VanDerWaalsContact O-N 3.17Å |
| 47 | N | 63.3 | Low | 51.1 | Low | 92 Ų | 92 | 125.7 Ų | 125.7 | 49% | 0.492 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -72.5 | -31.6 | 176.4 | -78.7 | -21 | 0 | 0 | 0 | 113 | N44 Q51 | N44-N47 PolarHBondContact O-N 3.42Å; N47-Q51 WeakPolarHBondContact O-CG 3.26Å; N47-Q51 PolarHBondContact O-N 2.93Å; N47-Q51 VanDerWaalsContact O-N 3.15Å |
| 48 | M | 62.6 | Low | 51.3 | Low | 90 Ų | 90 | 124.8 Ų | 124.8 | 44% | 0.443 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -74.3 | -35.1 | 177.9 | -159 | 173.2 | 69.3 | 0 | 0 | 112.4 | N44 W45 Q51 Q52 | N44-M48 PolarHBondContact O-N 3.06Å; N44-M48 VanDerWaalsContact O-N 3.09Å; W45-M48 HydrophobicContact CE3-CE 4.5Å; W45-M48 HydrophobicContact CH2-CE 4.39Å; W45-M48 HydrophobicContact CZ3-CE 4.37Å; W45-M48 PolarHBondContact O-N 2.89Å; M48-Q51 PolarHBondContact O-N 2.88Å; M48-Q52 PolarHBondContact O-N 3.09Å |
| 49 | L | 62.2 | Low | 51.7 | Low | 119 Ų | 119 | 122.9 Ų | 122.9 | 62% | 0.623 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -71.4 | -32.5 | 173 | -119.6 | 73.2 | 0 | 0 | 0 | 112.4 | W45 Q51 Q52 | W45-L49 HydrophobicContact CE3-CD1 4.44Å; W45-L49 HydrophobicContact CZ3-CD1 4.35Å; W45-L49 PolarHBondContact O-N 3.39Å; L49-Q51 VanDerWaalsContact C-N 3.32Å; L49-Q52 PolarHBondContact O-N 3.19Å |
| 50 | R | 66.6 | Low | 51.9 | Low | 203 Ų | 203 | 121.7 Ų | 121.7 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -68.4 | -30.3 | 173.7 | -174.6 | 174.1 | -106.7 | -122.6 | -0.7 | 112.5 | V46 | V46-R50 WeakPolarHBondContact O-CB 3.29Å; V46-R50 PolarHBondContact O-N 3.42Å; V46-R50 VanDerWaalsContact O-N 3.17Å |
| 51 | Q | 54.4 | Low | 51.2 | Low | 162 Ų | 162 | 118 Ų | 118 | 76% | 0.757 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -79.1 | -17.1 | 177.8 | -79.2 | -172.5 | 70.7 | 0 | 0 | 114.7 | N47 M48 L49 | N47-Q51 WeakPolarHBondContact O-CG 3.26Å; N47-Q51 PolarHBondContact O-N 2.93Å; N47-Q51 VanDerWaalsContact O-N 3.15Å; M48-Q51 PolarHBondContact O-N 2.88Å; L49-Q51 VanDerWaalsContact C-N 3.32Å |
| 52 | Q | 53.1 | Low | 50.8 | Low | 167 Ų | 167 | 121.7 Ų | 121.7 | 78% | 0.78 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -3.6 | 175.9 | -71.7 | -172.2 | 11.3 | 0 | 0 | 114.1 | M48 L49 | M48-Q52 PolarHBondContact O-N 3.09Å; L49-Q52 PolarHBondContact O-N 3.19Å |
| 53 | G | 49.6 | Very low | 50.2 | Low | 69 Ų | 69 | 125.7 Ų | 125.7 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -103.5 | 5.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 54 | A | 40.7 | Very low | 49.3 | Very low | 87 Ų | 87 | 125 Ų | 125 | 72% | 0.719 | 72% | 0.715 | S | S | * | * | trans | -140.1 | 92.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 55 | S | 39.6 | Very low | 48.8 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | trans | -161.3 | 85 | 159 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 56 | V | 45.5 | Very low | 48.6 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -153.6 | 116.7 | 150.4 | -85.3 | 0 | 0 | 0 | 0 | 109 | ||
| 57 | D | 42.2 | Very low | 47.2 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | trans | 59.2 | 123.4 | 161.3 | -75.2 | -37.9 | 0 | 0 | 0 | 123.2 | ||||
| 58 | A | 41.2 | Very low | 46.7 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -74.4 | 142.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 59 | T | 44.4 | Very low | 45.5 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | -168.7 | 124.5 | 116.4 | -58.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 60 | S | 43.6 | Very low | 44.9 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -54.7 | 180 | -178.7 | -140.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 61 | P | 43.9 | Very low | 43.7 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | -140.9 | -176.1 | -55.2 | 37.6 | -18.9 | 0 | 0 | 0 | 114.9 | |||||
| 62 | Q | 39.3 | Very low | 42.8 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | 78.2 | 126.2 | 168.9 | -56.1 | -168.8 | 25.7 | 0 | 0 | 114.4 | ||||
| 63 | T | 39.3 | Very low | 42.1 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | -156.9 | 146.7 | 46.4 | 51.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 64 | S | 39.9 | Very low | 41.8 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -35.7 | 134.1 | 161.6 | 44.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 65 | H | 42.7 | Very low | 42 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 161.6 | 141.7 | 115.8 | 66.9 | -90 | 0 | 0 | 0 | 114.3 | |||||
| 66 | L | 40.7 | Very low | 41.9 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 78.6 | 114 | 158 | -55.7 | 177.9 | 0 | 0 | 0 | 121.1 | ||||
| 67 | S | 36.3 | Very low | 41.7 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -71 | 148.8 | 157.3 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 68 | P | 52.6 | Low | 41.6 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -106.9 | 131.7 | 154.8 | 31.9 | -20.2 | 0 | 0 | 0 | 111.7 | ||||
| 69 | E | 37.2 | Very low | 41.5 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -75.4 | 127.4 | 173.3 | -165 | 179.4 | 151.9 | 0 | 0 | 110 | H71 | E69-H71 PolarHBondContact O-N 2.92Å; E69-H71 PolarHBondContact O-ND1 3.25Å | ||
| 70 | V | 50.2 | Low | 41.3 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 90% | 0.903 | 76% | 0.762 | S | S | * | * | trans | -76.4 | 109.7 | 179.5 | -99 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 71 | H | 42 | Very low | 41.2 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -92.7 | 135.4 | 169.7 | -75.3 | 71.9 | 0 | 0 | 0 | 111.1 | E69 | E69-H71 PolarHBondContact O-N 2.92Å; E69-H71 PolarHBondContact O-ND1 3.25Å | ||
| 72 | S | 35.5 | Very low | 41.2 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | 54.9 | 102.2 | 150.5 | -148.4 | 0 | 0 | 0 | 0 | 119.2 | S74 | S72-S74 PolarHBondContact O-N 2.92Š| ||
| 73 | I | 37.7 | Very low | 41.4 | Very low | 155 Ų | 155 | 138 Ų | 138 | 80% | 0.795 | 76% | 0.764 | S | S | * | * | trans | -86.7 | 79.7 | 168.9 | -43.7 | 168.9 | 0 | 0 | 0 | 107.8 | L76 | I73-L76 HydrophobicContact CG2-CD1 4.07Š| ||
| 74 | S | 43.8 | Very low | 41.4 | Very low | 84 Ų | 84 | 143.8 Ų | 143.8 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | trans | -123.2 | 1 | 174.8 | -64.1 | 0 | 0 | 0 | 0 | 114.7 | S72 | S72-S74 PolarHBondContact O-N 2.92Š| ||
| 75 | D | 43.8 | Very low | 41.4 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -100.5 | 14.3 | -177.1 | -68.1 | -27.4 | 0 | 0 | 0 | 114.7 | T77 | D75-T77 PolarHBondContact O-N 3.36Š| ||
| 76 | L | 38.9 | Very low | 41.6 | Very low | 151 Ų | 151 | 144 Ų | 144 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -102.5 | 53.9 | 179.3 | -65 | 177.4 | 0 | 0 | 0 | 112.4 | I73 | I73-L76 HydrophobicContact CG2-CD1 4.07Š| ||
| 77 | T | 40.8 | Very low | 41.5 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -133.2 | 43.3 | 168.1 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | D75 | D75-T77 PolarHBondContact O-N 3.36Š|
| 78 | S | 39.7 | Very low | 41.9 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -159.9 | 88.6 | 158.7 | -151.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 79 | F | 38.3 | Very low | 41.4 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -119.9 | 91.7 | 162.3 | -141.6 | -89.5 | 0 | 0 | 0 | 107.6 | Y81 | F79-Y81 PolarHBondContact O-N 2.88Š| ||
| 80 | D | 41.9 | Very low | 41.5 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | trans | -63.8 | 108.2 | 171.5 | -175.9 | 46.4 | 0 | 0 | 0 | 108.9 | G82 | D80-G82 PolarHBondContact O-N 3.33Š| ||
| 81 | Y | 40.9 | Very low | 40.8 | Very low | 230 Ų | 230 | 141.1 Ų | 141.1 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 69.7 | 172.1 | -109.1 | -93.8 | 0 | 0 | 0 | 108.6 | F79 | F79-Y81 PolarHBondContact O-N 2.88Š|
| 82 | G | 43.9 | Very low | 40.7 | Very low | 59 Ų | 59 | 139.4 Ų | 139.4 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.9 | -17.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | D80 | D80-G82 PolarHBondContact O-N 3.33Š|
| 83 | Q | 43 | Very low | 41.1 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -99.3 | 108.9 | -172.8 | -69.4 | -81.7 | -4.8 | 0 | 0 | 112.1 | L85 | Q83-L85 PolarHBondContact O-N 3.39Š| ||
| 84 | R | 38.9 | Very low | 41.3 | Very low | 242 Ų | 242 | 137.7 Ų | 137.7 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | trans | -59.8 | 104.9 | 171.1 | -161 | 177.4 | -149.5 | -120.6 | 3.3 | 109.6 | ||||
| 85 | L | 41.5 | Very low | 41.2 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -75.3 | 149.8 | 173.2 | -75 | 175.1 | 0 | 0 | 0 | 111.7 | Q83 | Q83-L85 PolarHBondContact O-N 3.39Š| ||
| 86 | P | 45.6 | Very low | 41 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -79.1 | 147.6 | -160.7 | -7.1 | 25.6 | 0 | 0 | 0 | 112.8 | L88 | P86-L88 PolarHBondContact O-N 3.49Š| ||
| 87 | S | 38.8 | Very low | 40.9 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 114.9 | 173.4 | -154.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 88 | L | 44.1 | Very low | 41.1 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -93.7 | 91.3 | 167.2 | -92.8 | 158.3 | 0 | 0 | 0 | 108.5 | P86 | P86-L88 PolarHBondContact O-N 3.49Š| ||
| 89 | E | 42 | Very low | 41 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -85.4 | 141 | 158 | -72 | -176.6 | 132.8 | 0 | 0 | 109.4 | ||||
| 90 | G | 40.1 | Very low | 41.4 | Very low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 93.8 | 127 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 91 | S | 36.7 | Very low | 41.5 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | cis | -159 | 163.6 | 15.5 | -56.8 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 92 | S | 39 | Very low | 41.6 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -168.8 | 131.2 | 31.1 | -179.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 93 | S | 43.1 | Very low | 41.6 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -79.4 | 145.5 | 167.7 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 94 | A | 41.6 | Very low | 41.7 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -105.6 | 131.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 95 | P | 43 | Very low | 42.1 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | trans | -106.3 | 141.4 | -177.1 | 35.6 | -28.2 | 0 | 0 | 0 | 115.5 | ||||
| 96 | I | 38.9 | Very low | 42.2 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 82% | 0.821 | 79% | 0.787 | S | S | * | * | 63.8 | 119.2 | 128.7 | -51.7 | 165.2 | 0 | 0 | 0 | 121.2 | |||||
| 97 | S | 37.8 | Very low | 41.9 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 171.4 | 134.6 | 136.5 | -91.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 98 | K | 43.9 | Very low | 42.1 | Very low | 197 Ų | 197 | 127.9 Ų | 127.9 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | cis | -162.9 | 143.8 | 17.5 | -91.5 | 158.6 | -179.4 | -179.4 | 0 | 108 | ||||
| 99 | G | 37.8 | Very low | 41.9 | Very low | 69 Ų | 69 | 128.3 Ų | 128.3 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 64.4 | 108.7 | 137.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 100 | T | 46.1 | Very low | 42.1 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | 169.2 | 139.7 | 111 | 33.3 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 101 | P | 44.5 | Very low | 42.1 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -98.7 | 134.5 | 178.1 | 35.1 | -26.3 | 0 | 0 | 0 | 110.8 | ||||
| 102 | N | 42.4 | Very low | 42.4 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -164.2 | 126.8 | 148.1 | -135.7 | 4.8 | 0 | 0 | 0 | 114 | ||||
| 103 | M | 45.2 | Very low | 42.4 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | 67.6 | 112.7 | 154.4 | -55 | -61.3 | 100.6 | 0 | 0 | 120.5 | ||||
| 104 | A | 45.8 | Very low | 42.5 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -93.1 | -171.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 105 | P | 46.9 | Very low | 42.4 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | cis | -132.9 | -149.1 | -18.4 | 26.4 | -0.6 | 0 | 0 | 0 | 111.2 | ||||
| 106 | H | 43.5 | Very low | 42.1 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | trans | 93.9 | 122 | -178.8 | -49.6 | -71.6 | 0 | 0 | 0 | 113.3 | ||||
| 107 | S | 38.6 | Very low | 42.3 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | -162.5 | 131.4 | 0.3 | 178.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 108 | V | 43 | Very low | 42.3 | Very low | 136 Ų | 136 | 137 Ų | 137 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -82.6 | 117.2 | 170 | 176.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 109 | F | 40.9 | Very low | 42 | Very low | 177 Ų | 177 | 134 Ų | 134 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -103.2 | 99.6 | 166.6 | -122.3 | -87 | 0 | 0 | 0 | 108.5 | ||||
| 110 | A | 45 | Very low | 42 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 65% | 0.645 | 78% | 0.779 | S | S | * | * | trans | -79.4 | 127.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 111 | W | 40.7 | Very low | 41.7 | Very low | 241 Ų | 241 | 139.4 Ų | 139.4 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -85.4 | 107.5 | 168.7 | -74.3 | 90.4 | 0 | 0 | 0 | 108.8 | ||||
| 112 | Q | 43.3 | Very low | 41.4 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | -102 | 133 | 158.6 | -77.2 | -171.6 | -35.6 | 0 | 0 | 108.7 | F114 | Q112-F114 HydrophobicContact CB-CD2 4.38Å; Q112-F114 HydrophobicContact CB-CE2 4.25Å | ||
| 113 | P | 38.8 | Very low | 41.3 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -90.7 | 109.3 | 172.4 | 33.1 | -24.7 | 0 | 0 | 0 | 108.7 | ||||
| 114 | F | 45 | Very low | 41.3 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -97.4 | 126.3 | 167.8 | -84.8 | -75.1 | 0 | 0 | 0 | 110.7 | Q112 | Q112-F114 HydrophobicContact CB-CD2 4.38Å; Q112-F114 HydrophobicContact CB-CE2 4.25Å | ||
| 115 | G | 39.8 | Very low | 40.9 | Very low | 65 Ų | 65 | 142.1 Ų | 142.1 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | -75.6 | 168.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 116 | N | 36.3 | Very low | 40.8 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -34.7 | 133 | 177.1 | -61.3 | -1 | 0 | 0 | 0 | 116.1 | ||||
| 117 | T | 42.5 | Very low | 40.6 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -131.6 | 122.9 | 143.9 | 54 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 118 | S | 39.1 | Very low | 40.7 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -82.5 | 167.7 | 175.9 | -168.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 119 | V | 37.5 | Very low | 40.7 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 68.6 | 114.9 | 159.4 | -121 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 120 | H | 37.5 | Very low | 40.7 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | -177.3 | 114.2 | 112.9 | -167.2 | -74.6 | 0 | 0 | 0 | 110.3 | |||||
| 121 | N | 38.8 | Very low | 40.8 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -112.6 | 125.6 | 168.4 | -127 | 3.6 | 0 | 0 | 0 | 107.4 | ||||
| 122 | Q | 39 | Very low | 41 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -129.7 | 140.3 | 171.3 | -130.4 | -142.8 | 4.2 | 0 | 0 | 110 | ||||
| 123 | P | 40.2 | Very low | 41 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -100.7 | 157.9 | -169.6 | 38 | -30.4 | 0 | 0 | 0 | 113.1 | ||||
| 124 | Q | 46.3 | Very low | 41.3 | Very low | 202 Ų | 202 | 135.1 Ų | 135.1 | 94% | 0.944 | 78% | 0.78 | S | S | * | * | trans | -122.6 | 142.5 | 163.2 | -77.2 | -154.6 | -16.2 | 0 | 0 | 111.7 | ||||
| 125 | A | 36.2 | Very low | 41.2 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -108 | 153.9 | -167 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 126 | S | 45 | Very low | 41.5 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 162.1 | 140.1 | 145.7 | 55.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 127 | S | 39.6 | Very low | 41.6 | Very low | 90 Ų | 90 | 133.8 Ų | 133.8 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | 174.1 | 151.5 | -9.3 | 48.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 128 | F | 40.2 | Very low | 41.6 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | 75 | 139.4 | 161.5 | -65.9 | -73.8 | 0 | 0 | 0 | 118.8 | ||||
| 129 | H | 42.5 | Very low | 41.8 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 73% | 0.731 | 76% | 0.763 | S | S | * | * | cis | -168.9 | 147.8 | -3.6 | -166.3 | 79.2 | 0 | 0 | 0 | 110 | ||||
| 130 | G | 41.1 | Very low | 41.9 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | 110.1 | 125.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 131 | Q | 47.6 | Very low | 41.9 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | cis | -167.6 | 161.8 | -17.1 | -99.1 | -97.5 | -12.3 | 0 | 0 | 106.1 | ||||
| 132 | P | 43.8 | Very low | 41.8 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -121.7 | 174.5 | -148.4 | 41.4 | -29.1 | 0 | 0 | 0 | 116.4 | ||||
| 133 | G | 44.5 | Very low | 41.7 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 157.4 | 133.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 134 | H | 44.6 | Very low | 41.5 | Very low | 170 Ų | 170 | 125.9 Ų | 125.9 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | cis | -163.9 | 135.5 | 9.7 | -126.2 | -105.2 | 0 | 0 | 0 | 106.3 | ||||
| 135 | L | 43.5 | Very low | 41.3 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | 57.1 | 135.4 | 136.9 | -63.9 | -171.7 | 0 | 0 | 0 | 120.2 | ||||
| 136 | I | 45.6 | Very low | 41.4 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | cis | -166.6 | 149.4 | 18.3 | -90.7 | 147.8 | 0 | 0 | 0 | 107.8 | ||||
| 137 | P | 37.8 | Very low | 41.2 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | trans | -99.4 | -178.8 | 176.9 | 38.2 | -29.6 | 0 | 0 | 0 | 113 | ||||
| 138 | L | 42.6 | Very low | 41.4 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | 148.6 | 111.5 | 147.4 | -73 | 155.4 | 0 | 0 | 0 | 111.7 | ||||
| 139 | I | 43.4 | Very low | 41.5 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | 96.1 | 132.1 | 107 | -67.5 | 177.8 | 0 | 0 | 0 | 115.6 | |||||
| 140 | P | 39.8 | Very low | 41.6 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | -99.9 | 152.7 | 178.4 | 37.9 | -31.3 | 0 | 0 | 0 | 114.3 | ||||
| 141 | G | 38.6 | Very low | 41.9 | Very low | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | trans | 163.3 | 118.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 142 | S | 36 | Very low | 41.8 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | 46.1 | 147.4 | 137.1 | -58.2 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 143 | T | 37.3 | Very low | 41.9 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | 86.9 | 108.4 | 156.7 | 67.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 144 | A | 36.3 | Very low | 42 | Very low | 84 Ų | 84 | 124 Ų | 124 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | 75.8 | 118.1 | 89.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 145 | T | 41.2 | Very low | 41.8 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | 164.8 | 171.8 | 84.6 | 37.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 146 | Y | 38.9 | Very low | 41.9 | Very low | 208 Ų | 208 | 120.1 Ų | 120.1 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | 88.2 | 129.7 | 165.4 | -177.8 | -84.3 | 0 | 0 | 0 | 116.2 | ||||
| 147 | S | 39.7 | Very low | 41.7 | Very low | 84 Ų | 84 | 118.1 Ų | 118.1 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | cis | -171.3 | 161.1 | -2.9 | -97.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 148 | G | 44.6 | Very low | 42 | Very low | 64 Ų | 64 | 121.1 Ų | 121.1 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | cis | 175.6 | -171.3 | 1.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 149 | M | 42.6 | Very low | 42.1 | Very low | 159 Ų | 159 | 119.2 Ų | 119.2 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | 84.8 | 109.4 | 145.6 | -23.2 | -152.8 | -159.7 | 0 | 0 | 121.7 | ||||
| 150 | V | 44.2 | Very low | 42.1 | Very low | 132 Ų | 132 | 118.6 Ų | 118.6 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | 78.7 | 109.9 | 133.1 | -57.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 151 | S | 47.2 | Very low | 42.2 | Very low | 112 Ų | 112 | 118.1 Ų | 118.1 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | 178.6 | 109.7 | 100.8 | -74.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 152 | S | 45.5 | Very low | 42.4 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 13.2 | 121 | 144.2 | 49.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 153 | S | 45.5 | Very low | 42.5 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | 77.8 | 162.9 | 110.8 | -49.6 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 154 | P | 47.5 | Very low | 42.7 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | -141.9 | 164.9 | -70.1 | 40.4 | -21.5 | 0 | 0 | 0 | 116.2 | |||||
| 155 | A | 40.5 | Very low | 43.3 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | 39.6 | 128.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 156 | S | 44.6 | Very low | 43.2 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | -156 | 155.8 | 127.8 | 69.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 157 | S | 42 | Very low | 43.5 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -133.6 | 150 | -151.9 | 44.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 158 | M | 44.7 | Very low | 43.6 | Very low | 172 Ų | 172 | 128 Ų | 128 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | 157 | 145.5 | 121.9 | -81.8 | -63.4 | 151.4 | 0 | 0 | 113.8 | |||||
| 159 | P | 44.8 | Very low | 43.6 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -109.4 | 169.5 | 178.4 | 40.5 | -30.8 | 0 | 0 | 0 | 113.3 | ||||
| 160 | T | 42.4 | Very low | 43.5 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -163.9 | 123.3 | 159.3 | 20.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 161 | T | 41.4 | Very low | 43.5 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | trans | 66.7 | 106 | 133.3 | 71.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 162 | T | 42.6 | Very low | 43 | Very low | 128 Ų | 128 | 138 Ų | 138 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | 35.1 | 124 | 119.5 | 56.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 163 | D | 39.8 | Very low | 42.7 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | -149 | 149.1 | 125 | -116.3 | -31.3 | 0 | 0 | 0 | 112.6 | |||||
| 164 | L | 40.4 | Very low | 42.4 | Very low | 140 Ų | 140 | 141 Ų | 141 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -110.1 | 132.6 | -153.4 | 171.3 | 79.2 | 0 | 0 | 0 | 110.9 | ||||
| 165 | M | 50.2 | Low | 41.9 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 97% | 0.966 | 80% | 0.803 | S | S | * | * | trans | -148.7 | 106.8 | 147.2 | -96.9 | 102.4 | -179.5 | 0 | 0 | 111.3 | ||||
| 166 | D | 37.5 | Very low | 41.8 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -81.9 | 137.5 | 166.1 | -169.9 | -77.2 | 0 | 0 | 0 | 109.5 | H168 | D166-H168 IonicContact OD1-CD2 3.98Å; D166-H168 PolarHBondContact OD1-N 3.05Å; D166-H168 VanDerWaalsContact OD1-N 3.12Å; D166-H168 IonicContact OD2-CD2 2.92Å | ||
| 167 | C | 46.2 | Very low | 41 | Very low | 129 Ų | 129 | 150 Ų | 150 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -142.8 | 90.3 | 153.4 | 58 | 0 | 0 | 0 | 0 | 110 | ||||
| 168 | H | 42 | Very low | 40.7 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -69.2 | 123.5 | 157.1 | -92.6 | -83.7 | 0 | 0 | 0 | 111.3 | D166 | D166-H168 IonicContact OD1-CD2 3.98Å; D166-H168 PolarHBondContact OD1-N 3.05Å; D166-H168 VanDerWaalsContact OD1-N 3.12Å; D166-H168 IonicContact OD2-CD2 2.92Å | ||
| 169 | Q | 44.2 | Very low | 40.3 | Very low | 180 Ų | 180 | 147.1 Ų | 147.1 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -139.7 | 111 | 149.1 | -165.2 | 69.5 | 75.5 | 0 | 0 | 110.1 | ||||
| 170 | K | 41.5 | Very low | 39.9 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -47.8 | 137.1 | 168.5 | -74.3 | 166.9 | 177 | 172.9 | 0 | 111 | ||||
| 171 | N | 43 | Very low | 39.6 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | -151.7 | 137.3 | 128.3 | -97.7 | -13.8 | 0 | 0 | 0 | 112.3 | |||||
| 172 | N | 36.4 | Very low | 39.3 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -91.4 | 128.9 | -167.7 | 178.9 | 17.6 | 0 | 0 | 0 | 109.4 | ||||
| 173 | S | 38.9 | Very low | 38.8 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -151.9 | 92.7 | 151.5 | 71.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 174 | H | 41.1 | Very low | 38.6 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -44.2 | 130.8 | 143.4 | -108.5 | -109.5 | 0 | 0 | 0 | 109.7 | ||||
| 175 | Y | 36.3 | Very low | 38.4 | Very low | 238 Ų | 238 | 147.7 Ų | 147.7 | 93% | 0.933 | 79% | 0.792 | S | S | * | * | trans | -159.8 | 143.1 | 133.1 | -111 | -78.1 | 0 | 0 | 0 | 111.1 | ||||
| 176 | A | 38 | Very low | 37.9 | Very low | 81 Ų | 81 | 145.2 Ų | 145.2 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -81.6 | 161.8 | -159.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 177 | Y | 28.5 | Very low | 38 | Very low | 214 Ų | 214 | 144.3 Ų | 144.3 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -34.2 | 129.6 | 155.7 | -124.9 | -103.8 | 0 | 0 | 0 | 112.6 | T179 | Y177-T179 HydrophobicContact CE1-CG2 4.45Š| ||
| 178 | S | 34.3 | Very low | 37.7 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -148.8 | 100 | 157.4 | -78.1 | 0 | 0 | 0 | 0 | 109.4 | N180 | S178-N180 PolarHBondContact O-N 3.13Š| ||
| 179 | T | 37.3 | Very low | 37.5 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 63% | 0.632 | 79% | 0.789 | S | S | * | * | trans | -57.5 | 116.8 | 155.9 | 41.1 | 0 | 0 | 0 | 0 | 108.9 | Y177 | Y177-T179 HydrophobicContact CE1-CG2 4.45Š| ||
| 180 | N | 36 | Very low | 36.9 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -112.7 | 105.4 | 165.5 | -90 | -36.2 | 0 | 0 | 0 | 109.3 | S178 | S178-N180 PolarHBondContact O-N 3.13Š| ||
| 181 | Y | 35.5 | Very low | 36.9 | Very low | 209 Ų | 209 | 147 Ų | 147 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | trans | -69.1 | 120.2 | 152.4 | -66.2 | -90.4 | 0 | 0 | 0 | 106.9 | ||||
| 182 | S | 35 | Very low | 36.4 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -118 | 91.7 | 169.9 | -72.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 183 | S | 33.1 | Very low | 36.7 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -71 | 116.8 | 158.1 | -52.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 184 | S | 36.2 | Very low | 36.6 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -105.8 | 98.2 | 166.7 | 42.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 185 | S | 34.5 | Very low | 36.6 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -83.8 | 126.4 | 161.3 | -69.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 186 | T | 41.2 | Very low | 36.7 | Very low | 143 Ų | 143 | 137 Ų | 137 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -117.6 | 103.8 | 159 | 46.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 187 | S | 38.4 | Very low | 36.9 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -74.4 | 138 | 162.9 | 55.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 188 | N | 39.4 | Very low | 37.4 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -161.9 | 102.3 | 142.4 | -91.8 | -34.3 | 0 | 0 | 0 | 112.3 | ||||
| 189 | K | 38.8 | Very low | 37.8 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | 52 | 104.5 | 126.2 | -63.7 | 172.8 | 179.8 | 177 | 0 | 119.7 | |||||
| 190 | S | 32.5 | Very low | 38.1 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | 31.2 | 119.6 | 122.7 | -49.3 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 191 | R | 40.5 | Very low | 38.2 | Very low | 257 Ų | 257 | 135.4 Ų | 135.4 | 97% | 0.97 | 78% | 0.784 | S | S | * | * | -163.7 | 137 | 123.8 | -104 | 164.3 | -174.3 | -141.4 | 0.5 | 111.8 | |||||
| 192 | S | 32.7 | Very low | 38.3 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -76.5 | 161.7 | 178.7 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 193 | I | 42.4 | Very low | 38.4 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 142.3 | 99.3 | 135 | -69 | 162.7 | 0 | 0 | 0 | 109.5 | ||||
| 194 | V | 36.8 | Very low | 38.5 | Very low | 111 Ų | 111 | 130 Ų | 130 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | 76.3 | 132.5 | 94.9 | -151.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 195 | L | 40.5 | Very low | 39.1 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | 92.8 | 98.9 | 156.8 | -66.2 | 112.8 | 0 | 0 | 0 | 120.6 | ||||
| 196 | S | 39.3 | Very low | 39.2 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 60.5 | 154.3 | 106 | -73.9 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 197 | P | 41.7 | Very low | 39.2 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -120.4 | 174.3 | -136.7 | 43.4 | -32.7 | 0 | 0 | 0 | 115.1 | ||||
| 198 | A | 38.8 | Very low | 39.5 | Very low | 85 Ų | 85 | 131.5 Ų | 131.5 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | -175.8 | 147 | 154.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 199 | T | 43.1 | Very low | 39.8 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | 72.3 | 110.7 | 144.8 | 53.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 200 | Q | 43.6 | Very low | 39.6 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | 91.2 | 117.6 | 84.4 | -82.5 | -176 | 57.8 | 0 | 0 | 114.1 | |||||
| 201 | S | 37.9 | Very low | 40.1 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 46.3 | 132.9 | 139.7 | 66 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 202 | G | 37.4 | Very low | 40 | Very low | 69 Ų | 69 | 131.4 Ų | 131.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | 136.5 | 122.9 | 126.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 203 | C | 37.6 | Very low | 40.3 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | trans | 94.2 | 128.1 | 137.1 | -73.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 204 | C | 35.9 | Very low | 40.1 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -75 | 178.9 | 171.1 | -28 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 205 | P | 49.2 | Very low | 40.5 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | -146.5 | 165.6 | 109.6 | 33.9 | -15.7 | 0 | 0 | 0 | 116.2 | |||||
| 206 | S | 36.3 | Very low | 40.7 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -102.5 | -179.9 | -177.6 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 207 | D | 40.3 | Very low | 41 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 99.1 | 116.4 | 152.6 | -56.6 | -44.8 | 0 | 0 | 0 | 118.7 | ||||
| 208 | V | 45.3 | Very low | 41.1 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | -175.2 | 117.6 | 102.8 | -91.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 209 | Q | 46.1 | Very low | 41 | Very low | 189 Ų | 189 | 134.1 Ų | 134.1 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | 59.2 | 139.4 | 128.9 | -56.8 | -166.3 | 25.2 | 0 | 0 | 124.6 | |||||
| 210 | N | 32.9 | Very low | 40.8 | Very low | 152 Ų | 152 | 134 Ų | 134 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -116.5 | 133.4 | -170.6 | -168.9 | 13.7 | 0 | 0 | 0 | 108 | ||||
| 211 | T | 44.1 | Very low | 41.1 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -171.8 | 160.7 | 149.5 | 4.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 212 | R | 38.8 | Very low | 41.1 | Very low | 211 Ų | 211 | 133.4 Ų | 133.4 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -119.1 | 167.9 | -145.2 | -178.5 | -165.1 | 175.9 | -146.5 | 3 | 110.9 | ||||
| 213 | L | 39 | Very low | 41.6 | Very low | 147 Ų | 147 | 136 Ų | 136 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 97.7 | 122.9 | 156.1 | -75.3 | 115 | 0 | 0 | 0 | 118.7 | ||||
| 214 | G | 38.6 | Very low | 41.9 | Very low | 68 Ų | 68 | 136.1 Ų | 136.1 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 153.1 | 106.1 | 135.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 215 | M | 44.1 | Very low | 42.5 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | 95.4 | 111.5 | 133.3 | -55.5 | -62.5 | -87.1 | 0 | 0 | 121.8 | ||||
| 216 | L | 44.4 | Very low | 42.6 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | 72.2 | 104.5 | 136.1 | -54.6 | 171.1 | 0 | 0 | 0 | 119.4 | ||||
| 217 | L | 46.3 | Very low | 43.5 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | 76.9 | 151.6 | 85.8 | -112.6 | 88.9 | 0 | 0 | 0 | 115.5 | |||||
| 218 | P | 43.8 | Very low | 44.1 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | -135.3 | 178 | -74.6 | 40.9 | -23.7 | 0 | 0 | 0 | 114.4 | |||||
| 219 | N | 36.7 | Very low | 44.6 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | trans | 73.4 | 111.4 | 142.7 | -154.5 | 82.4 | 0 | 0 | 0 | 119.4 | H221 | N219-H221 PolarHBondContact ND2-CE1 3.19Å; N219-H221 PolarHBondContact ND2-NE2 2.69Å; N219-H221 PolarHBondContact OD1-CE1 3.38Å | ||
| 220 | S | 38.4 | Very low | 45 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -170.1 | 148.7 | 133.9 | -80.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 221 | H | 49.5 | Very low | 45.9 | Very low | 156 Ų | 156 | 136 Ų | 136 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -103.3 | 142.3 | -159.4 | -31.1 | -79.2 | 0 | 0 | 0 | 110 | N219 | N219-H221 PolarHBondContact ND2-CE1 3.19Å; N219-H221 PolarHBondContact ND2-NE2 2.69Å; N219-H221 PolarHBondContact OD1-CE1 3.38Å | ||
| 222 | S | 38.5 | Very low | 46.2 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -139.1 | 143.6 | 163.6 | 51.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 223 | P | 46.9 | Very low | 47 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -86.8 | 147.9 | -160 | 33.1 | -34.5 | 0 | 0 | 0 | 114.6 | ||||
| 224 | T | 44.8 | Very low | 47.3 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -38 | 122.6 | 166.5 | -56.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 225 | T | 49.3 | Very low | 48.1 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 125.3 | 160.8 | -59.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 226 | A | 50 | Low | 48.2 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -71 | 141.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 227 | P | 56.3 | Low | 48.2 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 137.1 | 168.6 | 32.3 | -29.5 | 0 | 0 | 0 | 110.9 | ||
| 228 | V | 53.1 | Low | 48.2 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 132.3 | 179.3 | -168 | 0 | 0 | 0 | 0 | 110.6 | ||
| 229 | P | 54.5 | Low | 48.2 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 127.5 | 179 | 30.3 | -31.1 | 0 | 0 | 0 | 111.2 | Y231 | P229-Y231 PolarHBondContact O-N 2.83Š|
| 230 | I | 54.7 | Low | 48.5 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | trans | -69.1 | 112.9 | 166.7 | -64.6 | 174.1 | 0 | 0 | 0 | 107.9 | A232 | I230-A232 PolarHBondContact O-N 3.24Š| ||
| 231 | Y | 52.5 | Low | 48.8 | Very low | 219 Ų | 219 | 129.9 Ų | 129.9 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -68.9 | 112.5 | 171.5 | -99.6 | -96.3 | 0 | 0 | 0 | 110.3 | P229 | P229-Y231 PolarHBondContact O-N 2.83Š| ||
| 232 | A | 50.7 | Low | 48.5 | Very low | 79 Ų | 79 | 127.8 Ų | 127.8 | 65% | 0.653 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 140.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | I230 S234 | I230-A232 PolarHBondContact O-N 3.24Å; A232-S234 PolarHBondContact O-N 3.36Å |
| 233 | P | 55 | Low | 48.9 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 118.8 | -177.8 | 30.1 | -30.5 | 0 | 0 | 0 | 109.9 | ||
| 234 | S | 45.8 | Very low | 48.7 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 124.5 | 171.5 | -147.9 | 0 | 0 | 0 | 0 | 109.2 | A232 S236 | A232-S234 PolarHBondContact O-N 3.36Å; S234-S236 PolarHBondContact O-N 3.02Å |
| 235 | L | 55.2 | Low | 48.7 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 117 | 172.4 | -77.1 | 160.7 | 0 | 0 | 0 | 109.2 | A237 | L235-A237 PolarHBondContact O-N 3.39Š|
| 236 | S | 46.6 | Very low | 48.5 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 113.9 | 169.2 | -51.8 | 0 | 0 | 0 | 0 | 110 | S234 | S234-S236 PolarHBondContact O-N 3.02Š| ||
| 237 | A | 43.5 | Very low | 47.9 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -73.7 | 132.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L235 | L235-A237 PolarHBondContact O-N 3.39Š| ||
| 238 | T | 47.2 | Very low | 47.1 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -112.9 | 120.4 | 161 | -41.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 239 | T | 42.4 | Very low | 46.5 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -60 | 140 | 175.6 | 49.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 240 | T | 44.4 | Very low | 45.9 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | trans | -153.4 | 124.4 | 132.8 | 30.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 241 | S | 43.4 | Very low | 45.3 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -76.8 | 139.1 | 178.3 | 46.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 242 | S | 44.5 | Very low | 45.3 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -163.9 | 97.8 | 146.8 | 44.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 243 | S | 45.5 | Very low | 45 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 23.8 | 117.2 | 134.6 | 57.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 244 | A | 42.7 | Very low | 44.4 | Very low | 104 Ų | 104 | 129 Ų | 129 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -109.3 | 136.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 245 | P | 45.8 | Very low | 44.4 | Very low | 110 Ų | 110 | 128 Ų | 128 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | trans | -122.2 | 136.1 | 160.6 | 34.1 | -20.3 | 0 | 0 | 0 | 113.2 | ||||
| 246 | H | 45.6 | Very low | 43.8 | Very low | 187 Ų | 187 | 125.3 Ų | 125.3 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | 56.8 | 104.8 | 140.8 | -84.9 | -104.4 | 0 | 0 | 0 | 120.9 | ||||
| 247 | Q | 36.6 | Very low | 43.6 | Very low | 193 Ų | 193 | 125.5 Ų | 125.5 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -75.7 | 120.2 | 154.2 | -68.2 | -97.9 | 17.1 | 0 | 0 | 109.9 | ||||
| 248 | A | 39.6 | Very low | 43.6 | Very low | 84 Ų | 84 | 125.4 Ų | 125.4 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | -173.3 | 115.2 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 249 | F | 41.2 | Very low | 43.4 | Very low | 200 Ų | 200 | 125.2 Ų | 125.2 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -168.1 | 110.4 | 137.7 | -119.4 | -87.2 | 0 | 0 | 0 | 111.3 | ||||
| 250 | C | 40.8 | Very low | 43.4 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | 37.7 | 125.6 | 138.8 | -51.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 251 | S | 42.2 | Very low | 43.4 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -62.2 | 177.5 | 159.5 | -45.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 252 | P | 53.1 | Low | 43 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | -144.1 | 143.1 | 96.6 | 34.7 | -17.8 | 0 | 0 | 0 | 116.5 | |||||
| 253 | N | 43.8 | Very low | 43.3 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | 35.3 | 127.6 | 125.6 | -146.3 | 38.1 | 0 | 0 | 0 | 117.9 | |||||
| 254 | S | 43.5 | Very low | 43.5 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | -170.6 | 146.8 | 73.3 | -62.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 255 | S | 45 | Very low | 43.7 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | 67.3 | 102.6 | 145.5 | 44.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 256 | S | 42 | Very low | 43.6 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | 83.4 | 106 | 79.1 | -68 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 257 | S | 43.8 | Very low | 43.4 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | 172.1 | 133.6 | 111.4 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 258 | S | 42.5 | Very low | 43.7 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | -71.4 | -179.4 | 178.9 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 259 | N | 43.7 | Very low | 43.7 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 106 | 96.3 | 164.4 | -46.2 | -27.7 | 0 | 0 | 0 | 111.3 | ||||
| 260 | L | 41.8 | Very low | 44.2 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | 63.3 | 128.7 | 89 | -70.5 | 167.9 | 0 | 0 | 0 | 112.1 | |||||
| 261 | F | 44.4 | Very low | 44.8 | Very low | 198 Ų | 198 | 129.5 Ų | 129.5 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | 96 | 111.8 | 167.8 | -113.3 | -102.4 | 0 | 0 | 0 | 118.2 | ||||
| 262 | S | 35.6 | Very low | 45.3 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | 64.3 | 107.8 | 148 | -65.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 263 | T | 49.2 | Very low | 45.6 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | 179.8 | 125.7 | 125 | 33.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 264 | P | 50.3 | Low | 46.4 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 166.3 | 178.1 | 35.5 | -32.8 | 0 | 0 | 0 | 111.7 | ||
| 265 | P | 47.4 | Very low | 47.6 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 141.8 | -160.1 | 33 | -33.3 | 0 | 0 | 0 | 112.8 | ||
| 266 | V | 44.2 | Very low | 48.9 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 123.9 | 179.9 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 267 | L | 40.8 | Very low | 50.5 | Low | 152 Ų | 152 | 126.8 Ų | 126.8 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -58 | 146.2 | 168.3 | -64.9 | 159 | 0 | 0 | 0 | 112.1 | ||
| 268 | T | 42.6 | Very low | 52.1 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | trans | -168.8 | 130.1 | 145.3 | 9.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 269 | N | 39.8 | Very low | 53.9 | Low | 146 Ų | 146 | 122.6 Ų | 122.6 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | trans | 80.8 | 68 | 157.6 | -61.9 | -3.9 | 0 | 0 | 0 | 119.9 | ||||
| 270 | H | 51.3 | Low | 55.8 | Low | 189 Ų | 189 | 119.7 Ų | 119.7 | 88% | 0.875 | 69% | 0.688 | S | S | * | * | trans | -91 | 111 | 145.4 | -62.8 | -52.1 | 0 | 0 | 0 | 108.6 | V272 | H270-V272 PolarHBondContact O-N 3.31Š| ||
| 271 | P | 53.7 | Low | 58 | Low | 105 Ų | 105 | 116.8 Ų | 116.8 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | trans | -61.4 | 125.9 | 169.6 | 25 | -30.6 | 0 | 0 | 0 | 107.7 | Q273 | P271-Q273 PolarHBondContact O-N 3.23Š| ||
| 272 | V | 52.1 | Low | 60.2 | Low | 137 Ų | 137 | 113.8 Ų | 113.8 | 83% | 0.83 | 66% | 0.657 | S | S | * | * | trans | -54.2 | 95.4 | 164.9 | 178.3 | 0 | 0 | 0 | 0 | 106 | H270 D274 | H270-V272 PolarHBondContact O-N 3.31Å; V272-D274 PolarHBondContact O-N 3.24Å | ||
| 273 | Q | 59.3 | Low | 62.9 | Low | 100 Ų | 100 | 115.1 Ų | 115.1 | 47% | 0.467 | 65% | 0.653 | S | S | . | * | trans | -64.9 | 111 | 172 | -71.7 | -168.1 | -10.3 | 0 | 0 | 104.7 | P271 P275 A278 | P271-Q273 PolarHBondContact O-N 3.23Å; Q273-P275 VanDerWaalsContact O-N 3.08Å; Q273-A278 HydrophobicContact CB-CB 4.04Å | ||
| 274 | D | 62 | Low | 65 | Low | 77 Ų | 77 | 118.1 Ų | 118.1 | 41% | 0.412 | 65% | 0.649 | S | S | . | * | trans | -38.9 | 125.1 | 164.2 | -82.6 | -56.5 | 0 | 0 | 0 | 106.7 | V272 A276 K277 A278 | V272-D274 PolarHBondContact O-N 3.24Å; D274-A276 CarbonylContact O-C 3.5Å; D274-A276 PolarHBondContact O-N 3.06Å; D274-K277 HydrophobicContact CB-CB 3.93Å; D274-K277 HydrophobicContact CB-CD 3.92Å; D274-K277 HydrophobicContact CB-CG 3.8Å; D274-K277 CarbonylContact O-C 3.58Å; D274-K277 WeakPolarHBondContact O-CA 3.23Å; D274-K277 WeakPolarHBondContact O-CB 3.45Å; D274-K277 PolarHBondContact O-N 3.03Å; D274-K277 WeakPolarHBondContact OD2-CD 3.14Å; D274-K277 WeakPolarHBondContact OD2-CE 3.39Å; D274-K277 IonicContact OD2-NZ 2.72Å; D274-K277 PolarHBondContact OD2-NZ 3.36Å; D274-A278 PolarHBondContact O-N 3.44Å | ||
| 275 | P | 68.1 | Low | 67 | Low | 102 Ų | 102 | 115.9 Ų | 115.9 | 66% | 0.662 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -54.4 | -29.4 | -178.6 | 19.2 | -31.1 | 0 | 0 | 0 | 110.7 | Q273 V279 | Q273-P275 VanDerWaalsContact O-N 3.08Å; P275-V279 VanDerWaalsContact O-CB 3.32Å; P275-V279 WeakPolarHBondContact O-CB 3.37Å; P275-V279 WeakPolarHBondContact O-CG2 3.38Å; P275-V279 PolarHBondContact O-N 2.84Å |
| 276 | A | 72.6 | Confident | 69.3 | Low | 75 Ų | 75 | 115.6 Ų | 115.6 | 62% | 0.62 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.3 | -44.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D274 S280 | D274-A276 CarbonylContact O-C 3.5Å; D274-A276 PolarHBondContact O-N 3.06Å; A276-S280 WeakPolarHBondContact O-CB 3.35Å; A276-S280 PolarHBondContact O-N 3.38Å |
| 277 | K | 75.2 | Confident | 71.8 | Confident | 127 Ų | 127 | 115.7 Ų | 115.7 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.3 | -42.8 | 174.6 | -71.7 | 174.8 | -175.8 | 147.4 | 0 | 111.5 | D274 V279 S280 Q281 | D274-K277 HydrophobicContact CB-CB 3.93Å; D274-K277 HydrophobicContact CB-CD 3.92Å; D274-K277 HydrophobicContact CB-CG 3.8Å; D274-K277 CarbonylContact O-C 3.58Å; D274-K277 WeakPolarHBondContact O-CA 3.23Å; D274-K277 WeakPolarHBondContact O-CB 3.45Å; D274-K277 PolarHBondContact O-N 3.03Å; D274-K277 WeakPolarHBondContact OD2-CD 3.14Å; D274-K277 WeakPolarHBondContact OD2-CE 3.39Å; D274-K277 IonicContact OD2-NZ 2.72Å; D274-K277 PolarHBondContact OD2-NZ 3.36Å; K277-V279 PolarHBondContact O-N 3Å; K277-S280 WeakPolarHBondContact CA-OG 3.41Å; K277-S280 PolarHBondContact O-N 3.03Å; K277-S280 PolarHBondContact O-OG 3.27Å; K277-Q281 WeakPolarHBondContact O-CB 3.39Å; K277-Q281 PolarHBondContact O-N 3.49Å |
| 278 | A | 77.8 | Confident | 74.4 | Confident | 31 Ų | 31 | 113 Ų | 113 | 26% | 0.256 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.2 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q273 D274 Q281 K282 | Q273-A278 HydrophobicContact CB-CB 4.04Å; D274-A278 PolarHBondContact O-N 3.44Å; A278-Q281 PolarHBondContact O-N 3.25Å; A278-K282 WeakPolarHBondContact O-CB 3.4Å; A278-K282 PolarHBondContact O-N 3.13Å |
| 279 | V | 79.2 | Confident | 77 | Confident | 98 Ų | 98 | 109 Ų | 109 | 59% | 0.594 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -41.3 | 174.4 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | P275 K277 K282 Q283 | P275-V279 VanDerWaalsContact O-CB 3.32Å; P275-V279 WeakPolarHBondContact O-CB 3.37Å; P275-V279 WeakPolarHBondContact O-CG2 3.38Å; P275-V279 PolarHBondContact O-N 2.84Å; K277-V279 PolarHBondContact O-N 3Å; V279-K282 PolarHBondContact O-N 2.8Å; V279-Q283 WeakPolarHBondContact O-CB 3.37Å; V279-Q283 PolarHBondContact O-N 2.96Å |
| 280 | S | 85.1 | Confident | 79.8 | Confident | 71 Ų | 71 | 108 Ų | 108 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.2 | -40.1 | 176.6 | 82.1 | 0 | 0 | 0 | 0 | 112.6 | A276 K277 Q283 R284 | A276-S280 WeakPolarHBondContact O-CB 3.35Å; A276-S280 PolarHBondContact O-N 3.38Å; K277-S280 WeakPolarHBondContact CA-OG 3.41Å; K277-S280 PolarHBondContact O-N 3.03Å; K277-S280 PolarHBondContact O-OG 3.27Å; S280-Q283 PolarHBondContact O-N 3.46Å; S280-R284 WeakPolarHBondContact O-CB 3.31Å; S280-R284 PolarHBondContact O-N 3.31Å |
| 281 | Q | 87.9 | Confident | 82 | Confident | 103 Ų | 103 | 102.1 Ų | 102.1 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 176.8 | -175.1 | 175.6 | 0.3 | 0 | 0 | 110.3 | K277 A278 Q283 R284 S285 | K277-Q281 WeakPolarHBondContact O-CB 3.39Å; K277-Q281 PolarHBondContact O-N 3.49Å; A278-Q281 PolarHBondContact O-N 3.25Å; Q281-Q283 VanDerWaalsContact C-N 3.27Å; Q281-Q283 PolarHBondContact O-N 3.32Å; Q281-R284 PolarHBondContact O-N 3.47Å; Q281-R284 VanDerWaalsContact O-N 3.17Å; Q281-S285 PolarHBondContact O-N 3.05Å; Q281-S285 PolarHBondContact O-OG 2.99Å; Q281-S285 VanDerWaalsContact O-OG 3.1Å |
| 282 | K | 89.9 | Confident | 84.1 | Confident | 136 Ų | 136 | 102.7 Ų | 102.7 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.7 | -40.8 | 173.9 | -172.8 | 175 | -175.5 | 175.2 | 0 | 111.5 | A278 V279 S285 K286 | A278-K282 WeakPolarHBondContact O-CB 3.4Å; A278-K282 PolarHBondContact O-N 3.13Å; V279-K282 PolarHBondContact O-N 2.8Å; K282-S285 PolarHBondContact O-N 2.98Å; K282-K286 WeakPolarHBondContact O-CB 3.47Å; K282-K286 VanDerWaalsContact O-CG 3.31Å; K282-K286 WeakPolarHBondContact O-CG 3.39Å; K282-K286 PolarHBondContact O-N 3.31Å |
| 283 | Q | 91.7 | Very high | 86.3 | Confident | 119 Ų | 119 | 101.2 Ų | 101.2 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.4 | -39.3 | 177.2 | -170.5 | 63.7 | 0.9 | 0 | 0 | 112.3 | V279 S280 Q281 K286 K287 | V279-Q283 WeakPolarHBondContact O-CB 3.37Å; V279-Q283 PolarHBondContact O-N 2.96Å; S280-Q283 PolarHBondContact O-N 3.46Å; Q281-Q283 VanDerWaalsContact C-N 3.27Å; Q281-Q283 PolarHBondContact O-N 3.32Å; Q283-K286 PolarHBondContact O-N 3.39Å; Q283-K287 WeakPolarHBondContact O-CB 3.46Å; Q283-K287 PolarHBondContact O-N 3.05Å |
| 284 | R | 93.6 | Very high | 88.2 | Confident | 202 Ų | 202 | 98.8 Ų | 98.8 | 76% | 0.762 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 172.8 | -177 | 177.9 | -95.9 | 170.9 | -6.7 | 111.4 | S280 Q281 K287 E288 | S280-R284 WeakPolarHBondContact O-CB 3.31Å; S280-R284 PolarHBondContact O-N 3.31Å; Q281-R284 PolarHBondContact O-N 3.47Å; Q281-R284 VanDerWaalsContact O-N 3.17Å; R284-K287 PolarHBondContact O-N 2.95Å; R284-E288 WeakPolarHBondContact O-CB 3.47Å; R284-E288 PolarHBondContact O-N 3.38Å |
| 285 | S | 93.4 | Very high | 89.9 | Confident | 71 Ų | 71 | 101.8 Ų | 101.8 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | Q281 K282 E288 S289 | Q281-S285 PolarHBondContact O-N 3.05Å; Q281-S285 PolarHBondContact O-OG 2.99Å; Q281-S285 VanDerWaalsContact O-OG 3.1Å; K282-S285 PolarHBondContact O-N 2.98Å; S285-E288 PolarHBondContact O-N 2.9Å; S285-S289 WeakPolarHBondContact O-CB 3.49Å; S285-S289 PolarHBondContact O-N 3.37Å |
| 286 | K | 95.5 | Very high | 91.4 | Very high | 119 Ų | 119 | 103.7 Ų | 103.7 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 173.2 | -77 | 175.8 | 177.1 | -175.9 | 0 | 111.5 | K282 Q283 E288 S289 H290 | K282-K286 WeakPolarHBondContact O-CB 3.47Å; K282-K286 VanDerWaalsContact O-CG 3.31Å; K282-K286 WeakPolarHBondContact O-CG 3.39Å; K282-K286 PolarHBondContact O-N 3.31Å; Q283-K286 PolarHBondContact O-N 3.39Å; K286-E288 PolarHBondContact O-N 3.42Å; K286-S289 PolarHBondContact O-N 3.48Å; K286-H290 WeakPolarHBondContact O-CB 3.33Å; K286-H290 PolarHBondContact O-N 3.42Å |
| 287 | K | 95.7 | Very high | 92.6 | Very high | 143 Ų | 143 | 106.5 Ų | 106.5 | 62% | 0.622 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61 | -43.2 | 177 | -173.9 | 175.4 | -179.3 | 178.5 | 0 | 111.6 | Q283 R284 H290 N291 | Q283-K287 WeakPolarHBondContact O-CB 3.46Å; Q283-K287 PolarHBondContact O-N 3.05Å; R284-K287 PolarHBondContact O-N 2.95Å; K287-H290 PolarHBondContact O-N 3.4Å; K287-N291 WeakPolarHBondContact O-CB 3.45Å; K287-N291 VanDerWaalsContact O-CG 3.25Å; K287-N291 PolarHBondContact O-N 3.49Å |
| 288 | E | 96.2 | Very high | 93.7 | Very high | 96 Ų | 96 | 105.9 Ų | 105.9 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 177.9 | -175.6 | 52 | -142.8 | 0 | 0 | 112.1 | R284 S285 K286 H290 N291 R292 | R284-E288 WeakPolarHBondContact O-CB 3.47Å; R284-E288 PolarHBondContact O-N 3.38Å; S285-E288 PolarHBondContact O-N 2.9Å; K286-E288 PolarHBondContact O-N 3.42Å; E288-H290 VanDerWaalsContact C-N 3.34Å; E288-H290 PolarHBondContact O-N 2.98Å; E288-N291 PolarHBondContact O-N 2.98Å; E288-R292 WeakPolarHBondContact O-CB 3.41Å; E288-R292 PolarHBondContact O-N 2.9Å |
| 289 | S | 97 | Very high | 94.7 | Very high | 41 Ų | 41 | 108.6 Ų | 108.6 | 29% | 0.287 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 173.9 | -168.7 | 0 | 0 | 0 | 0 | 111.8 | S285 K286 R292 I293 | S285-S289 WeakPolarHBondContact O-CB 3.49Å; S285-S289 PolarHBondContact O-N 3.37Å; K286-S289 PolarHBondContact O-N 3.48Å; S289-R292 PolarHBondContact O-N 3.16Å; S289-R292 PolarHBondContact OG-NH2 3.21Å; S289-I293 VanDerWaalsContact O-CG1 3.31Å; S289-I293 WeakPolarHBondContact O-CG1 3.49Å; S289-I293 PolarHBondContact O-N 3.22Å |
| 290 | H | 97.9 | Very high | 95.7 | Very high | 125 Ų | 125 | 110.9 Ų | 110.9 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.4 | -47.9 | 175.3 | 176.7 | 75.1 | 0 | 0 | 0 | 111.8 | K286 K287 E288 R292 I293 E294 | K286-H290 WeakPolarHBondContact O-CB 3.33Å; K286-H290 PolarHBondContact O-N 3.42Å; K287-H290 PolarHBondContact O-N 3.4Å; E288-H290 VanDerWaalsContact C-N 3.34Å; E288-H290 PolarHBondContact O-N 2.98Å; H290-R292 VanDerWaalsContact C-N 3.32Å; H290-R292 PolarHBondContact O-N 3.33Å; H290-I293 PolarHBondContact O-N 3.27Å; H290-E294 WeakPolarHBondContact O-CB 3.49Å; H290-E294 PolarHBondContact O-N 2.98Å |
| 291 | N | 98.4 | Very high | 96.3 | Very high | 67 Ų | 67 | 110.6 Ų | 110.6 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 177.8 | -74.8 | -12.8 | 0 | 0 | 0 | 112.7 | K287 E288 R295 | K287-N291 WeakPolarHBondContact O-CB 3.45Å; K287-N291 VanDerWaalsContact O-CG 3.25Å; K287-N291 PolarHBondContact O-N 3.49Å; E288-N291 PolarHBondContact O-N 2.98Å; N291-R295 WeakPolarHBondContact O-CB 3.12Å; N291-R295 PolarHBondContact O-N 2.91Å |
| 292 | R | 97.9 | Very high | 96.8 | Very high | 116 Ų | 116 | 108.4 Ų | 108.4 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -43 | 177.9 | -176.8 | 174.8 | 63.5 | -107.2 | 0.6 | 112 | E288 S289 H290 K296 | E288-R292 WeakPolarHBondContact O-CB 3.41Å; E288-R292 PolarHBondContact O-N 2.9Å; S289-R292 PolarHBondContact O-N 3.16Å; S289-R292 PolarHBondContact OG-NH2 3.21Å; H290-R292 VanDerWaalsContact C-N 3.32Å; H290-R292 PolarHBondContact O-N 3.33Å; R292-K296 WeakPolarHBondContact O-CG 3.27Å; R292-K296 PolarHBondContact O-N 2.95Å; R292-K296 VanDerWaalsContact O-N 3.15Å |
| 293 | I | 98.3 | Very high | 97.2 | Very high | 107 Ų | 107 | 104.6 Ų | 104.6 | 55% | 0.549 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 177.5 | -68.6 | 166.7 | 0 | 0 | 0 | 110.3 | S289 H290 R295 K296 R297 | S289-I293 VanDerWaalsContact O-CG1 3.31Å; S289-I293 WeakPolarHBondContact O-CG1 3.49Å; S289-I293 PolarHBondContact O-N 3.22Å; H290-I293 PolarHBondContact O-N 3.27Å; I293-R295 VanDerWaalsContact C-N 3.34Å; I293-R295 PolarHBondContact O-N 2.93Å; I293-K296 WeakPolarHBondContact O-CB 3.26Å; I293-K296 PolarHBondContact O-N 2.96Å; I293-R297 PolarHBondContact O-N 3.23Å |
| 294 | E | 98.5 | Very high | 97.5 | Very high | 49 Ų | 49 | 102.5 Ų | 102.5 | 23% | 0.229 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66.2 | -36.4 | 179.8 | 176.6 | 55.6 | -159.5 | 0 | 0 | 111.7 | H290 R297 R298 | H290-E294 WeakPolarHBondContact O-CB 3.49Å; H290-E294 PolarHBondContact O-N 2.98Å; E294-R297 VanDerWaalsContact CD-NH1 3.31Å; E294-R297 PolarHBondContact O-N 3.35Å; E294-R297 IonicContact OE1-NH1 2.95Å; E294-R297 PolarHBondContact OE1-NH1 3.44Å; E294-R297 WeakPolarHBondContact OE2-CD 3.5Å; E294-R297 IonicContact OE2-CZ 2.69Å; E294-R297 IonicContact OE2-NH1 3.63Å; E294-R297 PolarHBondContact OE2-NH1 3.29Å; E294-R298 WeakPolarHBondContact O-CG 3.23Å; E294-R298 PolarHBondContact O-N 2.84Å; E294-R298 WeakPolarHBondContact OE1-CG 3.47Å; E294-R298 IonicContact OE1-NH1 3.88Å |
| 295 | R | 98.7 | Very high | 97.7 | Very high | 140 Ų | 140 | 94 Ų | 94 | 53% | 0.528 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.8 | -50 | 171 | -174.4 | 178.6 | -71.1 | 141.7 | -0.3 | 111 | N291 I293 R297 R298 D299 | N291-R295 WeakPolarHBondContact O-CB 3.12Å; N291-R295 PolarHBondContact O-N 2.91Å; I293-R295 VanDerWaalsContact C-N 3.34Å; I293-R295 PolarHBondContact O-N 2.93Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R295-R297 PolarHBondContact O-N 2.89Å; R295-R298 PolarHBondContact O-N 3.26Å; R295-R298 VanDerWaalsContact O-N 3.13Å; R295-D299 PolarHBondContact O-N 3.05Å |
| 296 | K | 98.6 | Very high | 97.8 | Very high | 141 Ų | 141 | 95.3 Ų | 95.3 | 61% | 0.613 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -58.5 | -41 | 176.4 | -71.8 | -177.9 | 177.6 | -173 | 0 | 112.7 | R292 I293 D299 Y300 | R292-K296 WeakPolarHBondContact O-CG 3.27Å; R292-K296 PolarHBondContact O-N 2.95Å; R292-K296 VanDerWaalsContact O-N 3.15Å; I293-K296 WeakPolarHBondContact O-CB 3.26Å; I293-K296 PolarHBondContact O-N 2.96Å; K296-D299 PolarHBondContact O-N 3.01Å; K296-Y300 PolarHBondContact O-N 3.15Å |
| 297 | R | 98.7 | Very high | 97.9 | Very high | 135 Ų | 135 | 95.9 Ų | 95.9 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 175.4 | 176.8 | 177.9 | 159.4 | -83.2 | -6.6 | 111.4 | I293 E294 R295 Y300 I301 | I293-R297 PolarHBondContact O-N 3.23Å; E294-R297 VanDerWaalsContact CD-NH1 3.31Å; E294-R297 PolarHBondContact O-N 3.35Å; E294-R297 IonicContact OE1-NH1 2.95Å; E294-R297 PolarHBondContact OE1-NH1 3.44Å; E294-R297 WeakPolarHBondContact OE2-CD 3.5Å; E294-R297 IonicContact OE2-CZ 2.69Å; E294-R297 IonicContact OE2-NH1 3.63Å; E294-R297 PolarHBondContact OE2-NH1 3.29Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R295-R297 PolarHBondContact O-N 2.89Å; R297-Y300 PolarHBondContact O-N 3.04Å; R297-I301 HydrophobicContact CG-CD1 4.17Å; R297-I301 WeakPolarHBondContact O-CG1 3.4Å; R297-I301 PolarHBondContact O-N 3.01Å |
| 298 | R | 98.7 | Very high | 98 | Very high | 114 Ų | 114 | 91.9 Ų | 91.9 | 43% | 0.43 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 177 | -70.1 | -171.1 | -56 | -111.9 | 0.7 | 112.1 | E294 R295 Y300 I301 N302 | E294-R298 WeakPolarHBondContact O-CG 3.23Å; E294-R298 PolarHBondContact O-N 2.84Å; E294-R298 WeakPolarHBondContact OE1-CG 3.47Å; E294-R298 IonicContact OE1-NH1 3.88Å; R295-R298 PolarHBondContact O-N 3.26Å; R295-R298 VanDerWaalsContact O-N 3.13Å; R298-Y300 VanDerWaalsContact C-N 3.35Å; R298-I301 PolarHBondContact O-N 3.39Å; R298-N302 WeakPolarHBondContact O-CB 3.28Å; R298-N302 PolarHBondContact O-N 2.9Å; R298-N302 PolarHBondContact O-ND2 3.34Å; R298-N302 PolarHBondContact O-OD1 3.08Å |
| 299 | D | 98.6 | Very high | 98 | Very high | 87 Ų | 87 | 88 Ų | 88 | 47% | 0.465 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 178.5 | -61.4 | -24 | 0 | 0 | 0 | 111.1 | R295 K296 N302 S303 | R295-D299 PolarHBondContact O-N 3.05Å; K296-D299 PolarHBondContact O-N 3.01Å; D299-N302 PolarHBondContact O-N 2.93Å; D299-S303 PolarHBondContact O-N 3.43Å |
| 300 | Y | 98.6 | Very high | 97.9 | Very high | 146 Ų | 146 | 89.8 Ų | 89.8 | 57% | 0.573 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.7 | -52 | 173.9 | -179.8 | -108 | 0 | 0 | 0 | 111.7 | K296 R297 R298 N302 S303 Q304 | K296-Y300 PolarHBondContact O-N 3.15Å; R297-Y300 PolarHBondContact O-N 3.04Å; R298-Y300 VanDerWaalsContact C-N 3.35Å; Y300-N302 VanDerWaalsContact C-N 3.28Å; Y300-N302 PolarHBondContact O-N 3.25Å; Y300-S303 PolarHBondContact O-N 3.01Å; Y300-S303 VanDerWaalsContact O-N 3.12Å; Y300-S303 PolarHBondContact O-OG 3.22Å; Y300-Q304 HydrophobicContact CD1-CG 4.32Å; Y300-Q304 HydrophobicContact CD2-CG 4.47Å; Y300-Q304 HydrophobicContact CE1-CG 3.93Å; Y300-Q304 HydrophobicContact CE2-CG 4.09Å; Y300-Q304 WeakPolarHBondContact O-CG 3.13Å; Y300-Q304 PolarHBondContact O-N 2.98Å |
| 301 | I | 98.5 | Very high | 97.8 | Very high | 66 Ų | 66 | 88 Ų | 88 | 34% | 0.338 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.4 | -43.6 | 177.5 | -67.9 | 168.5 | 0 | 0 | 0 | 111.1 | R297 R298 S303 Q304 I305 | R297-I301 HydrophobicContact CG-CD1 4.17Å; R297-I301 WeakPolarHBondContact O-CG1 3.4Å; R297-I301 PolarHBondContact O-N 3.01Å; R298-I301 PolarHBondContact O-N 3.39Å; I301-S303 PolarHBondContact O-N 3.47Å; I301-Q304 PolarHBondContact O-N 3.49Å; I301-I305 HydrophobicContact CG2-CD1 4.01Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.43Å |
| 302 | N | 98.3 | Very high | 97.7 | Very high | 56 Ų | 56 | 85.2 Ų | 85.2 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 178.5 | -67.3 | -19.4 | 0 | 0 | 0 | 111.9 | R298 D299 Y300 Q304 I305 V306 K326 | R298-N302 WeakPolarHBondContact O-CB 3.28Å; R298-N302 PolarHBondContact O-N 2.9Å; R298-N302 PolarHBondContact O-ND2 3.34Å; R298-N302 PolarHBondContact O-OD1 3.08Å; D299-N302 PolarHBondContact O-N 2.93Å; Y300-N302 VanDerWaalsContact C-N 3.28Å; Y300-N302 PolarHBondContact O-N 3.25Å; N302-Q304 VanDerWaalsContact C-N 3.33Å; N302-Q304 PolarHBondContact O-N 3.32Å; N302-I305 PolarHBondContact O-N 3.46Å; N302-V306 WeakPolarHBondContact O-CG2 3.49Å; N302-V306 PolarHBondContact O-N 2.95Å; N302-K326 WeakPolarHBondContact OD1-CE 3.37Å; N302-K326 PolarHBondContact OD1-NZ 3.25Å |
| 303 | S | 98 | Very high | 97.5 | Very high | 56 Ų | 56 | 81.2 Ų | 81.2 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 176 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | D299 Y300 I301 V306 Y307 | D299-S303 PolarHBondContact O-N 3.43Å; Y300-S303 PolarHBondContact O-N 3.01Å; Y300-S303 VanDerWaalsContact O-N 3.12Å; Y300-S303 PolarHBondContact O-OG 3.22Å; I301-S303 PolarHBondContact O-N 3.47Å; S303-V306 PolarHBondContact O-N 3.23Å; S303-Y307 WeakPolarHBondContact O-CB 3.41Å; S303-Y307 PolarHBondContact O-N 3.34Å |
| 304 | Q | 98.4 | Very high | 97.1 | Very high | 75 Ų | 75 | 80.8 Ų | 80.8 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 176.6 | -64.6 | -53.9 | -63.3 | 0 | 0 | 111.5 | Y300 I301 N302 Y307 L308 | Y300-Q304 HydrophobicContact CD1-CG 4.32Å; Y300-Q304 HydrophobicContact CD2-CG 4.47Å; Y300-Q304 HydrophobicContact CE1-CG 3.93Å; Y300-Q304 HydrophobicContact CE2-CG 4.09Å; Y300-Q304 WeakPolarHBondContact O-CG 3.13Å; Y300-Q304 PolarHBondContact O-N 2.98Å; I301-Q304 PolarHBondContact O-N 3.49Å; N302-Q304 VanDerWaalsContact C-N 3.33Å; N302-Q304 PolarHBondContact O-N 3.32Å; Q304-Y307 PolarHBondContact O-N 2.96Å; Q304-L308 WeakPolarHBondContact O-CG 3.49Å; Q304-L308 PolarHBondContact O-N 2.85Å |
| 305 | I | 97.3 | Very high | 96.6 | Very high | 23 Ų | 23 | 84.2 Ų | 84.2 | 12% | 0.118 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 175 | -65.2 | 168.1 | 0 | 0 | 0 | 110.9 | I301 N302 Y307 L308 S309 K326 V329 | I301-I305 HydrophobicContact CG2-CD1 4.01Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.43Å; N302-I305 PolarHBondContact O-N 3.46Å; I305-Y307 VanDerWaalsContact C-N 3.34Å; I305-L308 PolarHBondContact O-N 3.27Å; I305-S309 PolarHBondContact O-N 3.3Å; I305-K326 HydrophobicContact CD1-CB 4.21Å; I305-K326 HydrophobicContact CD1-CD 3.9Å; I305-K326 HydrophobicContact CD1-CG 4.06Å; I305-K326 HydrophobicContact CG2-CB 4.3Å; I305-K326 HydrophobicContact CG2-CG 4.12Å; I305-V329 HydrophobicContact CG2-CB 4.2Å; I305-V329 HydrophobicContact CG2-CG1 4.03Å |
| 306 | V | 96.1 | Very high | 96.3 | Very high | 100 Ų | 100 | 79.5 Ų | 79.5 | 61% | 0.606 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 174.4 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | N302 S303 S309 S310 | N302-V306 WeakPolarHBondContact O-CG2 3.49Å; N302-V306 PolarHBondContact O-N 2.95Å; S303-V306 PolarHBondContact O-N 3.23Å; V306-S309 WeakPolarHBondContact O-CB 3.25Å; V306-S309 PolarHBondContact O-N 3.44Å; V306-S309 PolarHBondContact O-OG 3.32Å; V306-S310 PolarHBondContact O-N 3.43Å |
| 307 | Y | 97.8 | Very high | 95.8 | Very high | 130 Ų | 130 | 74.3 Ų | 74.3 | 51% | 0.51 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61 | -49.3 | 175.3 | 176.8 | -109.7 | 0 | 0 | 0 | 112.2 | S303 Q304 I305 S309 S310 L311 | S303-Y307 WeakPolarHBondContact O-CB 3.41Å; S303-Y307 PolarHBondContact O-N 3.34Å; Q304-Y307 PolarHBondContact O-N 2.96Å; I305-Y307 VanDerWaalsContact C-N 3.34Å; Y307-S309 PolarHBondContact O-N 3.32Å; Y307-S310 WeakPolarHBondContact O-CB 3.28Å; Y307-S310 PolarHBondContact O-N 3.16Å; Y307-S310 PolarHBondContact O-OG 3.48Å; Y307-L311 HydrophobicContact CD1-CD1 4.24Å; Y307-L311 HydrophobicContact CE1-CD1 3.65Å; Y307-L311 HydrophobicContact CE1-CG 4.27Å; Y307-L311 HydrophobicContact CE2-CD2 4.36Å; Y307-L311 PolarHBondContact O-N 3.46Å |
| 308 | L | 97.6 | Very high | 95.2 | Very high | 60 Ų | 60 | 77.6 Ų | 77.6 | 31% | 0.314 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -54.9 | -40.6 | 174.4 | -72.1 | 176.3 | 0 | 0 | 0 | 111.8 | Q304 I305 S310 L311 L312 V329 L330 | Q304-L308 WeakPolarHBondContact O-CG 3.49Å; Q304-L308 PolarHBondContact O-N 2.85Å; I305-L308 PolarHBondContact O-N 3.27Å; L308-S310 PolarHBondContact O-N 3.42Å; L308-L311 PolarHBondContact O-N 3.47Å; L308-L311 VanDerWaalsContact O-N 3.11Å; L308-L312 PolarHBondContact O-N 3.05Å; L308-V329 HydrophobicContact CB-CG1 4.01Å; L308-L330 HydrophobicContact CD1-CD2 4.32Å |
| 309 | S | 95.2 | Very high | 94.1 | Very high | 15 Ų | 15 | 79.1 Ų | 79.1 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58 | -36.6 | 178.1 | 84.8 | 0 | 0 | 0 | 0 | 112 | I305 V306 Y307 L312 Y317 R324 | I305-S309 PolarHBondContact O-N 3.3Å; V306-S309 WeakPolarHBondContact O-CB 3.25Å; V306-S309 PolarHBondContact O-N 3.44Å; V306-S309 PolarHBondContact O-OG 3.32Å; Y307-S309 PolarHBondContact O-N 3.32Å; S309-L312 PolarHBondContact O-N 3.34Å; S309-Y317 WeakPolarHBondContact CA-OH 3.32Å; S309-Y317 PolarHBondContact O-OH 2.77Å; S309-R324 VanDerWaalsContact C-NH2 3.28Å; S309-R324 PolarHBondContact O-NH2 2.94Å |
| 310 | S | 95.1 | Very high | 93.2 | Very high | 77 Ų | 77 | 77 Ų | 77 | 54% | 0.538 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.2 | -22.1 | 179.7 | 75.2 | 0 | 0 | 0 | 0 | 114.4 | V306 Y307 L308 L312 | V306-S310 PolarHBondContact O-N 3.43Å; Y307-S310 WeakPolarHBondContact O-CB 3.28Å; Y307-S310 PolarHBondContact O-N 3.16Å; Y307-S310 PolarHBondContact O-OG 3.48Å; L308-S310 PolarHBondContact O-N 3.42Å; S310-L312 VanDerWaalsContact C-N 3.34Å |
| 311 | L | 97.1 | Very high | 91.8 | Very high | 88 Ų | 88 | 78.5 Ų | 78.5 | 46% | 0.461 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -81.5 | -15.4 | 176.1 | -62.8 | -179.6 | 0 | 0 | 0 | 113 | Y307 L308 | Y307-L311 HydrophobicContact CD1-CD1 4.24Å; Y307-L311 HydrophobicContact CE1-CD1 3.65Å; Y307-L311 HydrophobicContact CE1-CG 4.27Å; Y307-L311 HydrophobicContact CE2-CD2 4.36Å; Y307-L311 PolarHBondContact O-N 3.46Å; L308-L311 PolarHBondContact O-N 3.47Å; L308-L311 VanDerWaalsContact O-N 3.11Å |
| 312 | L | 95.2 | Very high | 90 | Very high | 9 Ų | 9 | 77 Ų | 77 | 5% | 0.047 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -82 | 134.1 | -177.4 | -71.7 | 169.6 | 0 | 0 | 0 | 111.7 | L308 S309 S310 L316 Y317 V329 L332 Y336 | L308-L312 PolarHBondContact O-N 3.05Å; S309-L312 PolarHBondContact O-N 3.34Å; S310-L312 VanDerWaalsContact C-N 3.34Å; L312-L316 HydrophobicContact CD2-CD1 3.98Å; L312-Y317 HydrophobicContact CB-CE2 3.73Å; L312-Y317 HydrophobicContact CD1-CE2 4.35Å; L312-Y317 WeakPolarHBondContact CD1-OH 3.36Å; L312-V329 HydrophobicContact CD1-CG1 4.31Å; L312-L332 HydrophobicContact CD1-CB 3.71Å; L312-L332 HydrophobicContact CD2-CB 4.31Å; L312-Y336 HydrophobicContact CD2-CD1 3.75Å; L312-Y336 HydrophobicContact CD2-CG 3.95Å |
| 313 | P | 93.9 | Very high | 88.7 | Confident | 31 Ų | 31 | 83.7 Ų | 83.7 | 20% | 0.201 | 43% | 0.43 | C | S | . | . | trans | -52.8 | 133.9 | 171.7 | -26.4 | 32.1 | 0 | 0 | 0 | 112 | E315 L316 Y336 | P313-E315 WeakPolarHBondContact CB-OE2 3.4Å; P313-E315 PolarHBondContact O-N 2.85Å; P313-E315 VanDerWaalsContact O-N 3.13Å; P313-L316 HydrophobicContact CB-CD1 4.47Å; P313-L316 HydrophobicContact CB-CG 4.25Å; P313-L316 HydrophobicContact CG-CD1 4.23Å; P313-L316 HydrophobicContact CG-CG 4.48Å; P313-L316 PolarHBondContact O-N 3.07Å; P313-Y336 HydrophobicContact CG-CD2 4.1Å; P313-Y336 HydrophobicContact CG-CE1 4.23Å; P313-Y336 HydrophobicContact CG-CE2 3.56Å | ||
| 314 | P | 89.8 | Confident | 88 | Confident | 98 Ų | 98 | 87.8 Ų | 87.8 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -54.8 | -30 | 178.6 | -26.8 | 35 | 0 | 0 | 0 | 113.9 | L316 Y317 | P314-L316 VanDerWaalsContact C-N 3.28Å; P314-L316 PolarHBondContact O-N 3.13Å; P314-Y317 PolarHBondContact O-N 3.41Å |
| 315 | E | 89.4 | Confident | 87.7 | Confident | 121 Ų | 121 | 87.7 Ų | 87.7 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -62.9 | -34.2 | -177.8 | -63.7 | 67.7 | -145.6 | 0 | 0 | 111.8 | P313 Y317 R318 | P313-E315 WeakPolarHBondContact CB-OE2 3.4Å; P313-E315 PolarHBondContact O-N 2.85Å; P313-E315 VanDerWaalsContact O-N 3.13Å; E315-Y317 PolarHBondContact O-N 3.02Å; E315-R318 WeakPolarHBondContact O-CB 3.47Å; E315-R318 WeakPolarHBondContact O-CG 3.19Å; E315-R318 PolarHBondContact O-N 3.4Å; E315-R318 VanDerWaalsContact O-N 3.1Å |
| 316 | L | 91 | Very high | 87.5 | Confident | 41 Ų | 41 | 92 Ų | 92 | 22% | 0.215 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -65.5 | -20 | 179.8 | -65.5 | -177.9 | 0 | 0 | 0 | 113.4 | L312 P313 P314 L332 Y336 | L312-L316 HydrophobicContact CD2-CD1 3.98Å; P313-L316 HydrophobicContact CB-CD1 4.47Å; P313-L316 HydrophobicContact CB-CG 4.25Å; P313-L316 HydrophobicContact CG-CD1 4.23Å; P313-L316 HydrophobicContact CG-CG 4.48Å; P313-L316 PolarHBondContact O-N 3.07Å; P314-L316 VanDerWaalsContact C-N 3.28Å; P314-L316 PolarHBondContact O-N 3.13Å; L316-L332 HydrophobicContact CB-CD1 4.22Å; L316-L332 HydrophobicContact CB-CD2 4.16Å; L316-Y336 HydrophobicContact CD1-CD2 4.15Å; L316-Y336 HydrophobicContact CD1-CG 4.13Å |
| 317 | Y | 89.6 | Confident | 87.4 | Confident | 32 Ų | 32 | 89 Ų | 89 | 13% | 0.125 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -90 | -10.3 | 178.2 | -66.7 | -81 | 0 | 0 | 0 | 113.3 | S309 L312 P314 E315 D319 V320 R324 V329 L332 | S309-Y317 WeakPolarHBondContact CA-OH 3.32Å; S309-Y317 PolarHBondContact O-OH 2.77Å; L312-Y317 HydrophobicContact CB-CE2 3.73Å; L312-Y317 HydrophobicContact CD1-CE2 4.35Å; L312-Y317 WeakPolarHBondContact CD1-OH 3.36Å; P314-Y317 PolarHBondContact O-N 3.41Å; E315-Y317 PolarHBondContact O-N 3.02Å; Y317-D319 PolarHBondContact O-N 3.49Å; Y317-V320 PolarHBondContact O-N 2.94Å; Y317-V320 VanDerWaalsContact O-N 3.15Å; Y317-R324 HydrophobicContact CD1-CG 3.8Å; Y317-R324 HydrophobicContact CE1-CB 4.24Å; Y317-R324 HydrophobicContact CE1-CG 3.65Å; Y317-R324 HydrophobicContact CG-CG 4.37Å; Y317-V329 HydrophobicContact CE1-CG2 4.39Å; Y317-L332 HydrophobicContact CD1-CD1 3.48Å; Y317-L332 VanDerWaalsContact CD1-CD1 3.48Å; Y317-L332 HydrophobicContact CD2-CD1 4.45Å; Y317-L332 HydrophobicContact CE1-CD1 3.46Å; Y317-L332 VanDerWaalsContact CE1-CD1 3.46Å; Y317-L332 HydrophobicContact CE2-CD1 4.43Å; Y317-L332 HydrophobicContact CG-CD1 4.02Å |
| 318 | R | 84.2 | Confident | 87.3 | Confident | 205 Ų | 205 | 82.9 Ų | 82.9 | 77% | 0.774 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -31.3 | -174.9 | -65.5 | -170.6 | 74.3 | -174.6 | 1.7 | 112.7 | E315 | E315-R318 WeakPolarHBondContact O-CB 3.47Å; E315-R318 WeakPolarHBondContact O-CG 3.19Å; E315-R318 PolarHBondContact O-N 3.4Å; E315-R318 VanDerWaalsContact O-N 3.1Å |
| 319 | D | 75.7 | Confident | 87.2 | Confident | 146 Ų | 146 | 80.1 Ų | 80.1 | 78% | 0.781 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0.2 | -178.5 | -55.9 | -28 | 0 | 0 | 0 | 112.8 | Y317 | Y317-D319 PolarHBondContact O-N 3.49Š|
| 320 | V | 81.7 | Confident | 87.3 | Confident | 41 Ų | 41 | 83.4 Ų | 83.4 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | trans | -101.1 | 97.3 | -179.5 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | Y317 G322 L332 | Y317-V320 PolarHBondContact O-N 2.94Å; Y317-V320 VanDerWaalsContact O-N 3.15Å; V320-G322 PolarHBondContact O-N 3.38Å; V320-L332 HydrophobicContact CG2-CD1 4.25Å | ||
| 321 | D | 68.5 | Low | 87.3 | Confident | 178 Ų | 178 | 87.3 Ų | 87.3 | 95% | 0.952 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -54.8 | -8.8 | -178.7 | -71.9 | -39.4 | 0 | 0 | 0 | 115.6 | ||
| 322 | G | 60.7 | Low | 87.2 | Confident | 34 Ų | 34 | 84.2 Ų | 84.2 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -129.1 | 107.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V320 N325 | V320-G322 PolarHBondContact O-N 3.38Å; G322-N325 PolarHBondContact O-ND2 3.34Å |
| 323 | R | 70.5 | Confident | 87.3 | Confident | 197 Ų | 197 | 84.4 Ų | 84.4 | 74% | 0.743 | 41% | 0.413 | S | S | * | . | trans | 4.4 | 119.9 | 158.1 | -104.9 | -179.4 | 179.6 | -148.7 | 6.9 | 114 | N325 | R323-N325 WeakPolarHBondContact O-CB 3.5Å; R323-N325 PolarHBondContact O-N 3.42Å; R323-N325 PolarHBondContact O-ND2 3.39Å | ||
| 324 | R | 83 | Confident | 87.5 | Confident | 143 Ų | 143 | 87.1 Ų | 87.1 | 54% | 0.54 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -23.5 | 92.6 | 171.6 | -57.9 | 173.8 | 92.6 | 169 | 8.3 | 111.9 | S309 Y317 V329 | S309-R324 VanDerWaalsContact C-NH2 3.28Å; S309-R324 PolarHBondContact O-NH2 2.94Å; Y317-R324 HydrophobicContact CD1-CG 3.8Å; Y317-R324 HydrophobicContact CE1-CB 4.24Å; Y317-R324 HydrophobicContact CE1-CG 3.65Å; Y317-R324 HydrophobicContact CG-CG 4.37Å; R324-V329 HydrophobicContact CB-CG2 4.5Å |
| 325 | N | 92.5 | Very high | 87.7 | Confident | 73 Ų | 73 | 85.6 Ų | 85.6 | 39% | 0.39 | 42% | 0.42 | S | S | . | . | trans | -115.2 | 162.1 | -177.5 | 62.3 | 69.9 | 0 | 0 | 0 | 108.4 | G322 R323 G327 S328 V329 | G322-N325 PolarHBondContact O-ND2 3.34Å; R323-N325 WeakPolarHBondContact O-CB 3.5Å; R323-N325 PolarHBondContact O-N 3.42Å; R323-N325 PolarHBondContact O-ND2 3.39Å; N325-G327 PolarHBondContact O-N 2.88Å; N325-G327 VanDerWaalsContact O-N 3.16Å; N325-G327 PolarHBondContact OD1-N 3.25Å; N325-S328 VanDerWaalsContact CG-OG 3.27Å; N325-S328 PolarHBondContact N-OG 3.07Å; N325-S328 PolarHBondContact ND2-OG 3.22Å; N325-S328 PolarHBondContact O-N 2.82Å; N325-S328 VanDerWaalsContact O-N 3.16Å; N325-S328 PolarHBondContact O-OG 2.87Å; N325-S328 VanDerWaalsContact O-OG 3.12Å; N325-S328 PolarHBondContact OD1-N 3.26Å; N325-S328 PolarHBondContact OD1-OG 3.31Å; N325-V329 VanDerWaalsContact O-CG2 3.29Å; N325-V329 WeakPolarHBondContact O-CG2 3.48Å; N325-V329 PolarHBondContact O-N 3.08Å | ||
| 326 | K | 94.1 | Very high | 88.1 | Confident | 113 Ų | 113 | 82.8 Ų | 82.8 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55.3 | -40.3 | -175.1 | -60.6 | -174 | -174.8 | 176.6 | 0 | 112 | N302 I305 L330 | N302-K326 WeakPolarHBondContact OD1-CE 3.37Å; N302-K326 PolarHBondContact OD1-NZ 3.25Å; I305-K326 HydrophobicContact CD1-CB 4.21Å; I305-K326 HydrophobicContact CD1-CD 3.9Å; I305-K326 HydrophobicContact CD1-CG 4.06Å; I305-K326 HydrophobicContact CG2-CB 4.3Å; I305-K326 HydrophobicContact CG2-CG 4.12Å; K326-L330 WeakPolarHBondContact O-CB 3.34Å; K326-L330 WeakPolarHBondContact O-CG 3.47Å; K326-L330 PolarHBondContact O-N 2.92Å; K326-L330 VanDerWaalsContact O-N 3.15Å |
| 327 | G | 93.9 | Very high | 88.5 | Confident | 37 Ų | 37 | 85.5 Ų | 85.5 | 38% | 0.381 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.1 | -38 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | N325 R331 | N325-G327 PolarHBondContact O-N 2.88Å; N325-G327 VanDerWaalsContact O-N 3.16Å; N325-G327 PolarHBondContact OD1-N 3.25Å; G327-R331 WeakPolarHBondContact O-CG 3.48Å; G327-R331 PolarHBondContact O-N 3.39Å; G327-R331 PolarHBondContact O-NE 3.22Å |
| 328 | S | 94.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 90 Ų | 90 | 1% | 0.007 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -73 | -42.8 | 175.9 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | N325 L330 R331 L332 | N325-S328 VanDerWaalsContact CG-OG 3.27Å; N325-S328 PolarHBondContact N-OG 3.07Å; N325-S328 PolarHBondContact ND2-OG 3.22Å; N325-S328 PolarHBondContact O-N 2.82Å; N325-S328 VanDerWaalsContact O-N 3.16Å; N325-S328 PolarHBondContact O-OG 2.87Å; N325-S328 VanDerWaalsContact O-OG 3.12Å; N325-S328 PolarHBondContact OD1-N 3.26Å; N325-S328 PolarHBondContact OD1-OG 3.31Å; S328-L330 VanDerWaalsContact C-N 3.33Å; S328-L330 PolarHBondContact O-N 2.92Å; S328-R331 PolarHBondContact O-N 3.28Å; S328-L332 WeakPolarHBondContact O-CB 3.23Å; S328-L332 VanDerWaalsContact O-CG 3.29Å; S328-L332 WeakPolarHBondContact O-CG 3.44Å; S328-L332 PolarHBondContact O-N 2.93Å |
| 329 | V | 95.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 85.3 Ų | 85.3 | 2% | 0.018 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111 | I305 L308 L312 Y317 R324 N325 S333 | I305-V329 HydrophobicContact CG2-CB 4.2Å; I305-V329 HydrophobicContact CG2-CG1 4.03Å; L308-V329 HydrophobicContact CB-CG1 4.01Å; L312-V329 HydrophobicContact CD1-CG1 4.31Å; Y317-V329 HydrophobicContact CE1-CG2 4.39Å; R324-V329 HydrophobicContact CB-CG2 4.5Å; N325-V329 VanDerWaalsContact O-CG2 3.29Å; N325-V329 WeakPolarHBondContact O-CG2 3.48Å; N325-V329 PolarHBondContact O-N 3.08Å; V329-S333 VanDerWaalsContact O-CB 3.31Å; V329-S333 WeakPolarHBondContact O-CB 3.4Å; V329-S333 PolarHBondContact O-N 3.19Å; V329-S333 PolarHBondContact O-OG 3.22Å |
| 330 | L | 97 | Very high | 90.4 | Very high | 83 Ų | 83 | 81.9 Ų | 81.9 | 44% | 0.435 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 179.4 | -69.3 | 173.3 | 0 | 0 | 0 | 112.2 | L308 K326 S328 S333 V334 | L308-L330 HydrophobicContact CD1-CD2 4.32Å; K326-L330 WeakPolarHBondContact O-CB 3.34Å; K326-L330 WeakPolarHBondContact O-CG 3.47Å; K326-L330 PolarHBondContact O-N 2.92Å; K326-L330 VanDerWaalsContact O-N 3.15Å; S328-L330 VanDerWaalsContact C-N 3.33Å; S328-L330 PolarHBondContact O-N 2.92Å; L330-S333 PolarHBondContact O-N 3.2Å; L330-V334 WeakPolarHBondContact O-CG2 3.03Å; L330-V334 PolarHBondContact O-N 3.47Å; L330-V334 VanDerWaalsContact O-N 3.11Å |
| 331 | R | 94.9 | Very high | 91.1 | Very high | 159 Ų | 159 | 89.2 Ų | 89.2 | 60% | 0.6 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.5 | -48 | 178 | -74.7 | -177.4 | -64.5 | 136.8 | -3.8 | 111.9 | G327 S328 S333 V334 S335 | G327-R331 WeakPolarHBondContact O-CG 3.48Å; G327-R331 PolarHBondContact O-N 3.39Å; G327-R331 PolarHBondContact O-NE 3.22Å; S328-R331 PolarHBondContact O-N 3.28Å; R331-S333 VanDerWaalsContact C-N 3.31Å; R331-S333 PolarHBondContact O-N 3.02Å; R331-V334 PolarHBondContact O-N 2.91Å; R331-S335 PolarHBondContact O-N 2.97Å; R331-S335 PolarHBondContact O-OG 2.57Å |
| 332 | L | 95.5 | Very high | 92.4 | Very high | 23 Ų | 23 | 85 Ų | 85 | 12% | 0.12 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 178 | -68 | 178.7 | 0 | 0 | 0 | 112 | L312 L316 Y317 V320 S328 V334 S335 Y336 | L312-L332 HydrophobicContact CD1-CB 3.71Å; L312-L332 HydrophobicContact CD2-CB 4.31Å; L316-L332 HydrophobicContact CB-CD1 4.22Å; L316-L332 HydrophobicContact CB-CD2 4.16Å; Y317-L332 HydrophobicContact CD1-CD1 3.48Å; Y317-L332 VanDerWaalsContact CD1-CD1 3.48Å; Y317-L332 HydrophobicContact CD2-CD1 4.45Å; Y317-L332 HydrophobicContact CE1-CD1 3.46Å; Y317-L332 VanDerWaalsContact CE1-CD1 3.46Å; Y317-L332 HydrophobicContact CE2-CD1 4.43Å; Y317-L332 HydrophobicContact CG-CD1 4.02Å; V320-L332 HydrophobicContact CG2-CD1 4.25Å; S328-L332 WeakPolarHBondContact O-CB 3.23Å; S328-L332 VanDerWaalsContact O-CG 3.29Å; S328-L332 WeakPolarHBondContact O-CG 3.44Å; S328-L332 PolarHBondContact O-N 2.93Å; L332-V334 VanDerWaalsContact C-N 3.32Å; L332-V334 PolarHBondContact O-N 3.41Å; L332-S335 PolarHBondContact O-N 3.43Å; L332-Y336 VanDerWaalsContact O-CB 3.26Å; L332-Y336 WeakPolarHBondContact O-CB 3.23Å; L332-Y336 PolarHBondContact O-N 3.47Å |
| 333 | S | 97.3 | Very high | 94 | Very high | 13 Ų | 13 | 85.7 Ų | 85.7 | 9% | 0.091 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60 | -42.7 | 174.3 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | V329 L330 R331 I337 | V329-S333 VanDerWaalsContact O-CB 3.31Å; V329-S333 WeakPolarHBondContact O-CB 3.4Å; V329-S333 PolarHBondContact O-N 3.19Å; V329-S333 PolarHBondContact O-OG 3.22Å; L330-S333 PolarHBondContact O-N 3.2Å; R331-S333 VanDerWaalsContact C-N 3.31Å; R331-S333 PolarHBondContact O-N 3.02Å; S333-I337 WeakPolarHBondContact O-CD1 3.29Å; S333-I337 VanDerWaalsContact O-CG1 3.24Å; S333-I337 WeakPolarHBondContact O-CG1 3.4Å; S333-I337 PolarHBondContact O-N 3.25Å |
| 334 | V | 97.4 | Very high | 95.2 | Very high | 88 Ų | 88 | 80.4 Ų | 80.4 | 53% | 0.533 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.2 | -48.9 | 176.4 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | L330 R331 L332 Y336 I337 M338 | L330-V334 WeakPolarHBondContact O-CG2 3.03Å; L330-V334 PolarHBondContact O-N 3.47Å; L330-V334 VanDerWaalsContact O-N 3.11Å; R331-V334 PolarHBondContact O-N 2.91Å; L332-V334 VanDerWaalsContact C-N 3.32Å; L332-V334 PolarHBondContact O-N 3.41Å; V334-Y336 VanDerWaalsContact C-N 3.29Å; V334-Y336 PolarHBondContact O-N 3.29Å; V334-I337 PolarHBondContact O-N 2.86Å; V334-M338 HydrophobicContact CG1-SD 4.3Å; V334-M338 WeakPolarHBondContact O-CG 3.39Å; V334-M338 PolarHBondContact O-N 3.37Å |
| 335 | S | 95.5 | Very high | 95.6 | Very high | 67 Ų | 67 | 77.1 Ų | 77.1 | 47% | 0.469 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 177.3 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | R331 L332 M338 E339 | R331-S335 PolarHBondContact O-N 2.97Å; R331-S335 PolarHBondContact O-OG 2.57Å; L332-S335 PolarHBondContact O-N 3.43Å; S335-M338 WeakPolarHBondContact O-CB 3.35Å; S335-M338 PolarHBondContact O-N 3.26Å; S335-E339 PolarHBondContact O-N 2.73Å |
| 336 | Y | 97.5 | Very high | 95.7 | Very high | 61 Ų | 61 | 77.5 Ų | 77.5 | 24% | 0.239 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | -179.4 | -173.6 | -131.7 | 0 | 0 | 0 | 112.6 | L312 P313 L316 L332 V334 M338 E339 L340 | L312-Y336 HydrophobicContact CD2-CD1 3.75Å; L312-Y336 HydrophobicContact CD2-CG 3.95Å; P313-Y336 HydrophobicContact CG-CD2 4.1Å; P313-Y336 HydrophobicContact CG-CE1 4.23Å; P313-Y336 HydrophobicContact CG-CE2 3.56Å; L316-Y336 HydrophobicContact CD1-CD2 4.15Å; L316-Y336 HydrophobicContact CD1-CG 4.13Å; L332-Y336 VanDerWaalsContact O-CB 3.26Å; L332-Y336 WeakPolarHBondContact O-CB 3.23Å; L332-Y336 PolarHBondContact O-N 3.47Å; V334-Y336 VanDerWaalsContact C-N 3.29Å; V334-Y336 PolarHBondContact O-N 3.29Å; Y336-M338 VanDerWaalsContact C-N 3.3Å; Y336-M338 PolarHBondContact O-N 3.1Å; Y336-E339 PolarHBondContact O-N 2.92Å; Y336-L340 HydrophobicContact CD1-CD1 3.97Å; Y336-L340 HydrophobicContact CD2-CD1 4.47Å; Y336-L340 HydrophobicContact CD2-CG 4.15Å; Y336-L340 HydrophobicContact CE1-CD1 3.63Å; Y336-L340 HydrophobicContact CE1-CG 4.25Å; Y336-L340 HydrophobicContact CE2-CD1 4.15Å; Y336-L340 HydrophobicContact CE2-CD2 3.96Å; Y336-L340 HydrophobicContact CE2-CG 3.82Å; Y336-L340 HydrophobicContact CG-CD1 4.37Å; Y336-L340 HydrophobicContact CG-CG 4.48Å; Y336-L340 WeakPolarHBondContact O-CB 3.12Å; Y336-L340 VanDerWaalsContact O-CG 3.28Å; Y336-L340 WeakPolarHBondContact O-CG 3.47Å; Y336-L340 PolarHBondContact O-N 3.4Å |
| 337 | I | 98.1 | Very high | 95.7 | Very high | 98 Ų | 98 | 77.1 Ų | 77.1 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 172.4 | -70.8 | 164.3 | 0 | 0 | 0 | 110.9 | S333 V334 R341 | S333-I337 WeakPolarHBondContact O-CD1 3.29Å; S333-I337 VanDerWaalsContact O-CG1 3.24Å; S333-I337 WeakPolarHBondContact O-CG1 3.4Å; S333-I337 PolarHBondContact O-N 3.25Å; V334-I337 PolarHBondContact O-N 2.86Å; I337-R341 WeakPolarHBondContact O-CB 3.44Å; I337-R341 VanDerWaalsContact O-CG 3.29Å; I337-R341 WeakPolarHBondContact O-CG 3.45Å; I337-R341 PolarHBondContact O-N 3.46Å |
| 338 | M | 97.5 | Very high | 95.7 | Very high | 127 Ų | 127 | 80.6 Ų | 80.6 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.3 | -45.3 | 176.7 | -68.2 | -179.6 | 67.1 | 0 | 0 | 111.5 | V334 S335 Y336 R341 E342 | V334-M338 HydrophobicContact CG1-SD 4.3Å; V334-M338 WeakPolarHBondContact O-CG 3.39Å; V334-M338 PolarHBondContact O-N 3.37Å; S335-M338 WeakPolarHBondContact O-CB 3.35Å; S335-M338 PolarHBondContact O-N 3.26Å; Y336-M338 VanDerWaalsContact C-N 3.3Å; Y336-M338 PolarHBondContact O-N 3.1Å; M338-R341 WeakPolarHBondContact O-CB 3.22Å; M338-R341 PolarHBondContact O-N 2.69Å; M338-E342 PolarHBondContact O-N 3.4Å |
| 339 | E | 96 | Very high | 95.6 | Very high | 106 Ų | 106 | 82 Ų | 82 | 50% | 0.495 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.7 | -174.8 | -176.8 | 172.9 | 0 | 0 | 111.7 | S335 Y336 R341 E342 A343 | S335-E339 PolarHBondContact O-N 2.73Å; Y336-E339 PolarHBondContact O-N 2.92Å; E339-R341 VanDerWaalsContact C-N 3.32Å; E339-R341 PolarHBondContact O-N 3.29Å; E339-E342 PolarHBondContact O-N 2.99Å; E339-A343 WeakPolarHBondContact O-CB 3.46Å; E339-A343 PolarHBondContact O-N 2.89Å |
| 340 | L | 97.7 | Very high | 95.6 | Very high | 75 Ų | 75 | 85.7 Ų | 85.7 | 39% | 0.393 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 175.9 | -74.8 | 176.1 | 0 | 0 | 0 | 111.9 | Y336 A343 V344 | Y336-L340 HydrophobicContact CD1-CD1 3.97Å; Y336-L340 HydrophobicContact CD2-CD1 4.47Å; Y336-L340 HydrophobicContact CD2-CG 4.15Å; Y336-L340 HydrophobicContact CE1-CD1 3.63Å; Y336-L340 HydrophobicContact CE1-CG 4.25Å; Y336-L340 HydrophobicContact CE2-CD1 4.15Å; Y336-L340 HydrophobicContact CE2-CD2 3.96Å; Y336-L340 HydrophobicContact CE2-CG 3.82Å; Y336-L340 HydrophobicContact CG-CD1 4.37Å; Y336-L340 HydrophobicContact CG-CG 4.48Å; Y336-L340 WeakPolarHBondContact O-CB 3.12Å; Y336-L340 VanDerWaalsContact O-CG 3.28Å; Y336-L340 WeakPolarHBondContact O-CG 3.47Å; Y336-L340 PolarHBondContact O-N 3.4Å; L340-A343 PolarHBondContact O-N 3.4Å; L340-V344 WeakPolarHBondContact O-CB 3.3Å; L340-V344 VanDerWaalsContact O-CG2 3.24Å; L340-V344 WeakPolarHBondContact O-CG2 3.49Å; L340-V344 PolarHBondContact O-N 3.42Å |
| 341 | R | 96.7 | Very high | 95.6 | Very high | 194 Ų | 194 | 88 Ų | 88 | 73% | 0.732 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 175.2 | -80.3 | -180 | 147.8 | -138 | -8.5 | 111.9 | I337 M338 E339 V344 S345 | I337-R341 WeakPolarHBondContact O-CB 3.44Å; I337-R341 VanDerWaalsContact O-CG 3.29Å; I337-R341 WeakPolarHBondContact O-CG 3.45Å; I337-R341 PolarHBondContact O-N 3.46Å; M338-R341 WeakPolarHBondContact O-CB 3.22Å; M338-R341 PolarHBondContact O-N 2.69Å; E339-R341 VanDerWaalsContact C-N 3.32Å; E339-R341 PolarHBondContact O-N 3.29Å; R341-V344 PolarHBondContact O-N 3.14Å; R341-S345 PolarHBondContact O-N 3.3Å |
| 342 | E | 94 | Very high | 95.6 | Very high | 90 Ų | 90 | 85.4 Ų | 85.4 | 42% | 0.421 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 174.6 | -171.3 | -175.4 | 155.6 | 0 | 0 | 111.3 | M338 E339 V344 S345 R346 S424 | M338-E342 PolarHBondContact O-N 3.4Å; E339-E342 PolarHBondContact O-N 2.99Å; E342-V344 PolarHBondContact O-N 3.36Å; E342-S345 PolarHBondContact O-N 3.05Å; E342-R346 WeakPolarHBondContact O-CB 3.33Å; E342-R346 PolarHBondContact O-N 3.1Å; E342-R346 IonicContact OE1-NH2 2.87Å; E342-R346 PolarHBondContact OE1-NH2 3.23Å; E342-S424 PolarHBondContact OE1-OG 3.47Å |
| 343 | A | 95 | Very high | 95.6 | Very high | 49 Ų | 49 | 85.7 Ų | 85.7 | 41% | 0.405 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E339 L340 R346 M347 | E339-A343 WeakPolarHBondContact O-CB 3.46Å; E339-A343 PolarHBondContact O-N 2.89Å; L340-A343 PolarHBondContact O-N 3.4Å; A343-R346 PolarHBondContact O-N 3.2Å; A343-M347 VanDerWaalsContact O-CB 3.32Å; A343-M347 WeakPolarHBondContact O-CB 3.44Å; A343-M347 PolarHBondContact O-N 3.42Å |
| 344 | V | 95.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 88.8 Ų | 88.8 | 52% | 0.515 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 174.5 | 169 | 0 | 0 | 0 | 0 | 110.8 | L340 R341 E342 R346 M347 E348 | L340-V344 WeakPolarHBondContact O-CB 3.3Å; L340-V344 VanDerWaalsContact O-CG2 3.24Å; L340-V344 WeakPolarHBondContact O-CG2 3.49Å; L340-V344 PolarHBondContact O-N 3.42Å; R341-V344 PolarHBondContact O-N 3.14Å; E342-V344 PolarHBondContact O-N 3.36Å; V344-R346 VanDerWaalsContact C-N 3.33Å; V344-R346 PolarHBondContact O-N 2.86Å; V344-M347 WeakPolarHBondContact O-CB 3.43Å; V344-M347 PolarHBondContact O-N 3.36Å; V344-E348 PolarHBondContact O-N 3.29Å; V344-E348 VanDerWaalsContact O-N 3.1Å |
| 345 | S | 92 | Very high | 95.5 | Very high | 75 Ų | 75 | 87.3 Ų | 87.3 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 112 | R341 E342 E348 S349 | R341-S345 PolarHBondContact O-N 3.3Å; E342-S345 PolarHBondContact O-N 3.05Å; S345-E348 PolarHBondContact O-N 3.42Å; S345-S349 PolarHBondContact O-N 3.38Å |
| 346 | R | 93.2 | Very high | 95.5 | Very high | 81 Ų | 81 | 84.6 Ų | 84.6 | 31% | 0.306 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 175.2 | -165.1 | -176.6 | -54.8 | -176.1 | 0.3 | 112.3 | E342 A343 V344 E348 S349 L350 S424 | E342-R346 WeakPolarHBondContact O-CB 3.33Å; E342-R346 PolarHBondContact O-N 3.1Å; E342-R346 IonicContact OE1-NH2 2.87Å; E342-R346 PolarHBondContact OE1-NH2 3.23Å; A343-R346 PolarHBondContact O-N 3.2Å; V344-R346 VanDerWaalsContact C-N 3.33Å; V344-R346 PolarHBondContact O-N 2.86Å; R346-E348 VanDerWaalsContact C-N 3.29Å; R346-E348 PolarHBondContact O-N 3.38Å; R346-S349 PolarHBondContact O-N 3.18Å; R346-L350 HydrophobicContact CG-CD1 4.43Å; R346-L350 WeakPolarHBondContact O-CG 3.37Å; R346-L350 PolarHBondContact O-N 3.49Å; R346-S424 PolarHBondContact NH2-OG 3.42Å |
| 347 | M | 95.1 | Very high | 95.4 | Very high | 104 Ų | 104 | 82.6 Ų | 82.6 | 51% | 0.512 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60 | -39.2 | 176.4 | -176.7 | 70.2 | 68 | 0 | 0 | 111.6 | A343 V344 L350 K351 | A343-M347 VanDerWaalsContact O-CB 3.32Å; A343-M347 WeakPolarHBondContact O-CB 3.44Å; A343-M347 PolarHBondContact O-N 3.42Å; V344-M347 WeakPolarHBondContact O-CB 3.43Å; V344-M347 PolarHBondContact O-N 3.36Å; M347-L350 PolarHBondContact O-N 3.45Å; M347-K351 WeakPolarHBondContact O-CB 3.47Å; M347-K351 VanDerWaalsContact O-CG 3.3Å; M347-K351 WeakPolarHBondContact O-CG 3.36Å; M347-K351 PolarHBondContact O-N 3.48Å |
| 348 | E | 94 | Very high | 95.3 | Very high | 111 Ų | 111 | 86.1 Ų | 86.1 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 175.7 | -69.9 | 171.1 | 177.6 | 0 | 0 | 111.9 | V344 S345 R346 K351 Q352 | V344-E348 PolarHBondContact O-N 3.29Å; V344-E348 VanDerWaalsContact O-N 3.1Å; S345-E348 PolarHBondContact O-N 3.42Å; R346-E348 VanDerWaalsContact C-N 3.29Å; R346-E348 PolarHBondContact O-N 3.38Å; E348-K351 WeakPolarHBondContact O-CB 3.46Å; E348-K351 PolarHBondContact O-N 3.3Å; E348-Q352 PolarHBondContact O-N 3.12Å; E348-Q352 VanDerWaalsContact O-N 3.1Å |
| 349 | S | 92.8 | Very high | 95.1 | Very high | 30 Ų | 30 | 82.1 Ų | 82.1 | 21% | 0.21 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 176.3 | -165.9 | 0 | 0 | 0 | 0 | 112.7 | S345 R346 K351 Q352 E353 N417 | S345-S349 PolarHBondContact O-N 3.38Å; R346-S349 PolarHBondContact O-N 3.18Å; S349-K351 VanDerWaalsContact C-N 3.33Å; S349-K351 PolarHBondContact O-N 2.87Å; S349-Q352 PolarHBondContact O-N 2.79Å; S349-E353 PolarHBondContact O-N 3.48Å; S349-N417 WeakPolarHBondContact CB-OD1 3.37Å; S349-N417 PolarHBondContact O-ND2 3.31Å; S349-N417 PolarHBondContact OG-OD1 3.12Å |
| 350 | L | 95.5 | Very high | 95.1 | Very high | 80 Ų | 80 | 77.5 Ų | 77.5 | 42% | 0.419 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -34.3 | 174.4 | -71.6 | 172.2 | 0 | 0 | 0 | 112.4 | R346 M347 E353 N354 N417 | R346-L350 HydrophobicContact CG-CD1 4.43Å; R346-L350 WeakPolarHBondContact O-CG 3.37Å; R346-L350 PolarHBondContact O-N 3.49Å; M347-L350 PolarHBondContact O-N 3.45Å; L350-E353 PolarHBondContact O-N 3.23Å; L350-N354 WeakPolarHBondContact O-CB 3.32Å; L350-N354 PolarHBondContact O-N 2.97Å; L350-N417 HydrophobicContact CD2-CB 4.2Å |
| 351 | K | 96.2 | Very high | 95 | Very high | 132 Ų | 132 | 78.6 Ų | 78.6 | 57% | 0.574 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 173.6 | -78.7 | 175 | 177.2 | -179.1 | 0 | 111.8 | M347 E348 S349 N354 T355 | M347-K351 WeakPolarHBondContact O-CB 3.47Å; M347-K351 VanDerWaalsContact O-CG 3.3Å; M347-K351 WeakPolarHBondContact O-CG 3.36Å; M347-K351 PolarHBondContact O-N 3.48Å; E348-K351 WeakPolarHBondContact O-CB 3.46Å; E348-K351 PolarHBondContact O-N 3.3Å; S349-K351 VanDerWaalsContact C-N 3.33Å; S349-K351 PolarHBondContact O-N 2.87Å; K351-N354 PolarHBondContact O-N 3.25Å; K351-T355 PolarHBondContact O-N 2.96Å; K351-T355 PolarHBondContact O-OG1 3.24Å |
| 352 | Q | 94.5 | Very high | 94.9 | Very high | 104 Ų | 104 | 72.9 Ų | 72.9 | 49% | 0.486 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 174.7 | -70.4 | 175.2 | 7.9 | 0 | 0 | 110.8 | E348 S349 N354 T355 I356 L413 | E348-Q352 PolarHBondContact O-N 3.12Å; E348-Q352 VanDerWaalsContact O-N 3.1Å; S349-Q352 PolarHBondContact O-N 2.79Å; Q352-N354 VanDerWaalsContact C-N 3.33Å; Q352-N354 PolarHBondContact O-N 3.42Å; Q352-T355 WeakPolarHBondContact O-CB 3.29Å; Q352-T355 PolarHBondContact O-N 2.83Å; Q352-T355 VanDerWaalsContact O-N 3.13Å; Q352-I356 WeakPolarHBondContact O-CG1 3.39Å; Q352-I356 PolarHBondContact O-N 3.36Å; Q352-L413 HydrophobicContact CB-CD2 3.58Å |
| 353 | E | 95.6 | Very high | 94.8 | Very high | 30 Ų | 30 | 70 Ų | 70 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 176.6 | -166.8 | -162.4 | 139.3 | 0 | 0 | 111.4 | S349 L350 T355 I356 A357 L413 N414 N417 | S349-E353 PolarHBondContact O-N 3.48Å; L350-E353 PolarHBondContact O-N 3.23Å; E353-T355 VanDerWaalsContact C-N 3.28Å; E353-T355 PolarHBondContact O-N 2.87Å; E353-I356 PolarHBondContact O-N 3.19Å; E353-A357 WeakPolarHBondContact O-CB 3.49Å; E353-A357 PolarHBondContact O-N 3.48Å; E353-L413 VanDerWaalsContact CA-CD2 3.46Å; E353-L413 HydrophobicContact CB-CD2 3.84Å; E353-L413 HydrophobicContact CB-CG 3.97Å; E353-L413 HydrophobicContact CG-CG 4.4Å; E353-N414 HydrophobicContact CG-CB 4.45Å; E353-N417 PolarHBondContact OE2-ND2 2.95Å |
| 354 | N | 96.2 | Very high | 94.8 | Very high | 78 Ų | 78 | 71 Ų | 71 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.8 | -36.3 | 176.9 | -164.6 | -101.2 | 0 | 0 | 0 | 112.2 | L350 K351 Q352 A357 R358 | L350-N354 WeakPolarHBondContact O-CB 3.32Å; L350-N354 PolarHBondContact O-N 2.97Å; K351-N354 PolarHBondContact O-N 3.25Å; Q352-N354 VanDerWaalsContact C-N 3.33Å; Q352-N354 PolarHBondContact O-N 3.42Å; N354-A357 PolarHBondContact O-N 3.45Å; N354-R358 VanDerWaalsContact O-CG 3.29Å; N354-R358 WeakPolarHBondContact O-CG 3.41Å; N354-R358 PolarHBondContact O-N 3.42Å; N354-R358 PolarHBondContact OD1-NE 3.24Å; N354-R358 PolarHBondContact OD1-NH2 3.43Å |
| 355 | T | 96.4 | Very high | 94.7 | Very high | 56 Ų | 56 | 72.1 Ų | 72.1 | 34% | 0.344 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -48.8 | 177.5 | -57 | 0 | 0 | 0 | 0 | 110.5 | K351 Q352 E353 A357 R358 Q359 | K351-T355 PolarHBondContact O-N 2.96Å; K351-T355 PolarHBondContact O-OG1 3.24Å; Q352-T355 WeakPolarHBondContact O-CB 3.29Å; Q352-T355 PolarHBondContact O-N 2.83Å; Q352-T355 VanDerWaalsContact O-N 3.13Å; E353-T355 VanDerWaalsContact C-N 3.28Å; E353-T355 PolarHBondContact O-N 2.87Å; T355-A357 VanDerWaalsContact C-N 3.34Å; T355-A357 PolarHBondContact O-N 3.47Å; T355-R358 WeakPolarHBondContact O-CB 3.24Å; T355-R358 PolarHBondContact O-N 3.15Å; T355-Q359 PolarHBondContact O-N 3.09Å |
| 356 | I | 95.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 73.2 Ų | 73.2 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 177 | -57.9 | 167.2 | 0 | 0 | 0 | 110.4 | Q352 E353 R358 Q359 L360 V406 S409 W410 L413 | Q352-I356 WeakPolarHBondContact O-CG1 3.39Å; Q352-I356 PolarHBondContact O-N 3.36Å; E353-I356 PolarHBondContact O-N 3.19Å; I356-R358 VanDerWaalsContact C-N 3.29Å; I356-R358 PolarHBondContact O-N 3.17Å; I356-Q359 PolarHBondContact O-N 3.21Å; I356-Q359 VanDerWaalsContact O-N 3.08Å; I356-L360 WeakPolarHBondContact O-CB 3.48Å; I356-L360 PolarHBondContact O-N 3.27Å; I356-V406 HydrophobicContact CG2-CG1 3.78Å; I356-V406 WeakPolarHBondContact CG2-O 3.46Å; I356-S409 WeakPolarHBondContact CD1-OG 3.45Å; I356-W410 HydrophobicContact CG2-CB 3.72Å; I356-L413 HydrophobicContact CD1-CD2 3.94Å |
| 357 | A | 96.2 | Very high | 94.5 | Very high | 19 Ų | 19 | 73 Ų | 73 | 16% | 0.157 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.8 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E353 N354 T355 Q359 L360 I361 | E353-A357 WeakPolarHBondContact O-CB 3.49Å; E353-A357 PolarHBondContact O-N 3.48Å; N354-A357 PolarHBondContact O-N 3.45Å; T355-A357 VanDerWaalsContact C-N 3.34Å; T355-A357 PolarHBondContact O-N 3.47Å; A357-Q359 VanDerWaalsContact C-N 3.3Å; A357-Q359 PolarHBondContact O-N 3.35Å; A357-L360 PolarHBondContact O-N 3.31Å; A357-I361 WeakPolarHBondContact O-CD1 3.46Å; A357-I361 VanDerWaalsContact O-CG1 3.23Å; A357-I361 WeakPolarHBondContact O-CG1 3.37Å; A357-I361 PolarHBondContact O-N 2.79Å |
| 358 | R | 96.1 | Very high | 94.3 | Very high | 173 Ų | 173 | 72 Ų | 72 | 65% | 0.653 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.4 | -32.4 | 175.6 | -75 | 172.9 | -171.5 | -82.5 | -3.1 | 113.1 | N354 T355 I356 P362 | N354-R358 VanDerWaalsContact O-CG 3.29Å; N354-R358 WeakPolarHBondContact O-CG 3.41Å; N354-R358 PolarHBondContact O-N 3.42Å; N354-R358 PolarHBondContact OD1-NE 3.24Å; N354-R358 PolarHBondContact OD1-NH2 3.43Å; T355-R358 WeakPolarHBondContact O-CB 3.24Å; T355-R358 PolarHBondContact O-N 3.15Å; I356-R358 VanDerWaalsContact C-N 3.29Å; I356-R358 PolarHBondContact O-N 3.17Å; R358-P362 WeakPolarHBondContact O-CD 3.31Å; R358-P362 WeakPolarHBondContact O-CG 3.28Å |
| 359 | Q | 93.3 | Very high | 94.2 | Very high | 43 Ų | 43 | 73.1 Ų | 73.1 | 20% | 0.201 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -76.4 | -36.9 | 173.2 | -62.2 | 179.4 | 14.4 | 0 | 0 | 111.5 | T355 I356 A357 P362 L363 V406 E460 | T355-Q359 PolarHBondContact O-N 3.09Å; I356-Q359 PolarHBondContact O-N 3.21Å; I356-Q359 VanDerWaalsContact O-N 3.08Å; A357-Q359 VanDerWaalsContact C-N 3.3Å; A357-Q359 PolarHBondContact O-N 3.35Å; Q359-P362 WeakPolarHBondContact O-CD 3.24Å; Q359-L363 WeakPolarHBondContact O-CG 3.31Å; Q359-V406 HydrophobicContact CB-CG1 4.29Å; Q359-E460 PolarHBondContact NE2-OE1 2.89Å |
| 360 | L | 95.1 | Very high | 94 | Very high | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71 | -41.8 | -176.9 | -178 | 58.1 | 0 | 0 | 0 | 113.3 | I356 A357 L363 L364 L403 V406 Y407 W410 | I356-L360 WeakPolarHBondContact O-CB 3.48Å; I356-L360 PolarHBondContact O-N 3.27Å; A357-L360 PolarHBondContact O-N 3.31Å; L360-L363 PolarHBondContact O-N 3.23Å; L360-L364 HydrophobicContact CD1-CD1 4.13Å; L360-L364 HydrophobicContact CD1-CG 4.03Å; L360-L364 HydrophobicContact CD2-CD1 4.34Å; L360-L364 HydrophobicContact CG-CD1 3.81Å; L360-L364 HydrophobicContact CG-CG 4.18Å; L360-L364 WeakPolarHBondContact O-CG 3.28Å; L360-L364 PolarHBondContact O-N 3.04Å; L360-L403 HydrophobicContact CD1-CD1 3.7Å; L360-V406 HydrophobicContact CB-CG1 3.83Å; L360-V406 HydrophobicContact CD1-CB 4.5Å; L360-V406 HydrophobicContact CD1-CG1 4.14Å; L360-Y407 HydrophobicContact CD1-CD2 4.25Å; L360-Y407 HydrophobicContact CD2-CD2 3.94Å; L360-W410 HydrophobicContact CD2-CB 3.87Å; L360-W410 HydrophobicContact CD2-CD2 4.16Å; L360-W410 HydrophobicContact CD2-CE3 4.38Å; L360-W410 HydrophobicContact CD2-CG 3.92Å |
| 361 | I | 95.8 | Very high | 93.7 | Very high | 98 Ų | 98 | 73.5 Ų | 73.5 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57 | -50.6 | -175.4 | -71.7 | 160.9 | 0 | 0 | 0 | 112.1 | A357 L363 L364 L365 | A357-I361 WeakPolarHBondContact O-CD1 3.46Å; A357-I361 VanDerWaalsContact O-CG1 3.23Å; A357-I361 WeakPolarHBondContact O-CG1 3.37Å; A357-I361 PolarHBondContact O-N 2.79Å; I361-L363 VanDerWaalsContact C-N 3.33Å; I361-L363 PolarHBondContact O-N 2.9Å; I361-L364 PolarHBondContact O-N 3.45Å; I361-L365 HydrophobicContact CG2-CD1 4.09Å; I361-L365 HydrophobicContact CG2-CG 4.49Å; I361-L365 WeakPolarHBondContact O-CG 3.36Å; I361-L365 PolarHBondContact O-N 2.99Å |
| 362 | P | 93.7 | Very high | 93.4 | Very high | 74 Ų | 74 | 73.1 Ų | 73.1 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 177.1 | -24.8 | 34.3 | 0 | 0 | 0 | 113.7 | R358 Q359 L365 Q366 | R358-P362 WeakPolarHBondContact O-CD 3.31Å; R358-P362 WeakPolarHBondContact O-CG 3.28Å; Q359-P362 WeakPolarHBondContact O-CD 3.24Å; P362-L365 PolarHBondContact O-N 2.84Å; P362-Q366 WeakPolarHBondContact O-CB 3.41Å; P362-Q366 PolarHBondContact O-N 3.36Å |
| 363 | L | 92.7 | Very high | 93.1 | Very high | 29 Ų | 29 | 74.9 Ų | 74.9 | 15% | 0.152 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 178.3 | -63.9 | 175.4 | 0 | 0 | 0 | 111.4 | Q359 L360 I361 Q366 R367 L403 V406 | Q359-L363 WeakPolarHBondContact O-CG 3.31Å; L360-L363 PolarHBondContact O-N 3.23Å; I361-L363 VanDerWaalsContact C-N 3.33Å; I361-L363 PolarHBondContact O-N 2.9Å; L363-Q366 PolarHBondContact O-N 3.36Å; L363-R367 WeakPolarHBondContact O-CB 3.45Å; L363-R367 PolarHBondContact O-N 3.2Å; L363-L403 HydrophobicContact CB-CB 4.43Å; L363-L403 HydrophobicContact CB-CD1 3.53Å; L363-V406 HydrophobicContact CD1-CB 4.43Å; L363-V406 HydrophobicContact CD1-CG2 4.23Å |
| 364 | L | 94.2 | Very high | 92.5 | Very high | 69 Ų | 69 | 78.6 Ų | 78.6 | 36% | 0.361 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 174.2 | -72.2 | 173.4 | 0 | 0 | 0 | 111.7 | L360 I361 R367 I368 L403 | L360-L364 HydrophobicContact CD1-CD1 4.13Å; L360-L364 HydrophobicContact CD1-CG 4.03Å; L360-L364 HydrophobicContact CD2-CD1 4.34Å; L360-L364 HydrophobicContact CG-CD1 3.81Å; L360-L364 HydrophobicContact CG-CG 4.18Å; L360-L364 WeakPolarHBondContact O-CG 3.28Å; L360-L364 PolarHBondContact O-N 3.04Å; I361-L364 PolarHBondContact O-N 3.45Å; L364-R367 PolarHBondContact O-N 3.23Å; L364-I368 VanDerWaalsContact O-CG1 3.28Å; L364-I368 WeakPolarHBondContact O-CG1 3.26Å; L364-I368 PolarHBondContact O-N 2.86Å; L364-L403 HydrophobicContact CD2-CD1 3.79Å; L364-L403 HydrophobicContact CD2-CD2 4.45Å; L364-L403 HydrophobicContact CG-CD1 3.99Å |
| 365 | L | 94.3 | Very high | 92 | Very high | 109 Ų | 109 | 80.5 Ų | 80.5 | 57% | 0.571 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.7 | -45.7 | 175.9 | -70.2 | 174 | 0 | 0 | 0 | 111.8 | I361 P362 R367 I368 E369 | I361-L365 HydrophobicContact CG2-CD1 4.09Å; I361-L365 HydrophobicContact CG2-CG 4.49Å; I361-L365 WeakPolarHBondContact O-CG 3.36Å; I361-L365 PolarHBondContact O-N 2.99Å; P362-L365 PolarHBondContact O-N 2.84Å; L365-R367 VanDerWaalsContact C-N 3.26Å; L365-R367 PolarHBondContact O-N 3.48Å; L365-I368 PolarHBondContact O-N 3.45Å; L365-E369 PolarHBondContact O-N 3.11Å |
| 366 | Q | 90.6 | Very high | 91.3 | Very high | 99 Ų | 99 | 81.9 Ų | 81.9 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60 | -38.2 | 175.4 | -175.9 | -177.8 | -0.9 | 0 | 0 | 111.6 | P362 L363 S370 N399 | P362-Q366 WeakPolarHBondContact O-CB 3.41Å; P362-Q366 PolarHBondContact O-N 3.36Å; L363-Q366 PolarHBondContact O-N 3.36Å; Q366-S370 WeakPolarHBondContact O-CB 3.49Å; Q366-S370 PolarHBondContact O-N 3.22Å; Q366-N399 PolarHBondContact NE2-ND2 2.88Å; Q366-N399 PolarHBondContact OE1-ND2 2.99Å |
| 367 | R | 90.1 | Very high | 89.8 | Confident | 76 Ų | 76 | 87.5 Ų | 87.5 | 29% | 0.287 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.8 | -43 | 177.1 | -179.6 | 55.9 | 176.2 | 169.9 | -1.3 | 111.9 | L363 L364 L365 S370 L371 L403 | L363-R367 WeakPolarHBondContact O-CB 3.45Å; L363-R367 PolarHBondContact O-N 3.2Å; L364-R367 PolarHBondContact O-N 3.23Å; L365-R367 VanDerWaalsContact C-N 3.26Å; L365-R367 PolarHBondContact O-N 3.48Å; R367-S370 PolarHBondContact O-N 3.45Å; R367-L371 HydrophobicContact CG-CD1 4.03Å; R367-L371 VanDerWaalsContact O-CG 3.27Å; R367-L371 WeakPolarHBondContact O-CG 3.38Å; R367-L371 PolarHBondContact O-N 2.83Å; R367-L403 HydrophobicContact CB-CD2 3.99Å; R367-L403 HydrophobicContact CG-CD2 4.06Å |
| 368 | I | 91.9 | Very high | 88.1 | Confident | 83 Ų | 83 | 91.7 Ų | 91.7 | 43% | 0.426 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.7 | -50.7 | 175.4 | -69.2 | 163.8 | 0 | 0 | 0 | 109.6 | L364 L365 S370 L371 E372 | L364-I368 VanDerWaalsContact O-CG1 3.28Å; L364-I368 WeakPolarHBondContact O-CG1 3.26Å; L364-I368 PolarHBondContact O-N 2.86Å; L365-I368 PolarHBondContact O-N 3.45Å; I368-S370 VanDerWaalsContact C-N 3.32Å; I368-S370 PolarHBondContact O-N 3.37Å; I368-L371 WeakPolarHBondContact O-CB 3.29Å; I368-L371 PolarHBondContact O-N 3.03Å; I368-E372 HydrophobicContact CG2-CG 4.18Å; I368-E372 WeakPolarHBondContact O-CG 3.2Å; I368-E372 PolarHBondContact O-N 3.46Å |
| 369 | E | 91.5 | Very high | 86.3 | Confident | 134 Ų | 134 | 89.6 Ų | 89.6 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -56.7 | -43.9 | 177.9 | -174.9 | -174.3 | 177.9 | 0 | 0 | 112 | L365 L371 E372 K373 | L365-E369 PolarHBondContact O-N 3.11Å; E369-L371 VanDerWaalsContact C-N 3.34Å; E369-L371 PolarHBondContact O-N 3.35Å; E369-E372 PolarHBondContact O-N 3.34Å; E369-K373 WeakPolarHBondContact O-CB 3.41Å; E369-K373 PolarHBondContact O-N 3.03Å |
| 370 | S | 88.6 | Confident | 84.5 | Confident | 48 Ų | 48 | 90.4 Ų | 90.4 | 34% | 0.336 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 112.9 | Q366 R367 I368 M374 | Q366-S370 WeakPolarHBondContact O-CB 3.49Å; Q366-S370 PolarHBondContact O-N 3.22Å; R367-S370 PolarHBondContact O-N 3.45Å; I368-S370 VanDerWaalsContact C-N 3.32Å; I368-S370 PolarHBondContact O-N 3.37Å; S370-M374 WeakPolarHBondContact O-CG 3.4Å; S370-M374 PolarHBondContact O-N 3.24Å |
| 371 | L | 88.2 | Confident | 82.4 | Confident | 71 Ų | 71 | 96.5 Ų | 96.5 | 37% | 0.372 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.3 | -40.9 | 178.2 | -73.1 | 166.6 | 0 | 0 | 0 | 111.5 | R367 I368 E369 M374 T375 | R367-L371 HydrophobicContact CG-CD1 4.03Å; R367-L371 VanDerWaalsContact O-CG 3.27Å; R367-L371 WeakPolarHBondContact O-CG 3.38Å; R367-L371 PolarHBondContact O-N 2.83Å; I368-L371 WeakPolarHBondContact O-CB 3.29Å; I368-L371 PolarHBondContact O-N 3.03Å; E369-L371 VanDerWaalsContact C-N 3.34Å; E369-L371 PolarHBondContact O-N 3.35Å; L371-M374 HydrophobicContact CD2-CE 3.6Å; L371-M374 HydrophobicContact CG-CE 4.3Å; L371-M374 PolarHBondContact O-N 3.44Å; L371-T375 PolarHBondContact O-N 3.27Å; L371-T375 PolarHBondContact O-OG1 3.46Å |
| 372 | E | 91.8 | Very high | 80.7 | Confident | 123 Ų | 123 | 98.9 Ų | 98.9 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.5 | -47.3 | 174.6 | -73.5 | 177.6 | 165.4 | 0 | 0 | 110.4 | I368 E369 M374 T375 S376 | I368-E372 HydrophobicContact CG2-CG 4.18Å; I368-E372 WeakPolarHBondContact O-CG 3.2Å; I368-E372 PolarHBondContact O-N 3.46Å; E369-E372 PolarHBondContact O-N 3.34Å; E372-M374 VanDerWaalsContact C-N 3.32Å; E372-M374 PolarHBondContact O-N 2.97Å; E372-T375 CarbonylContact O-C 3.54Å; E372-T375 PolarHBondContact O-N 2.79Å; E372-S376 WeakPolarHBondContact O-CB 3.17Å; E372-S376 PolarHBondContact O-N 3.25Å; E372-S376 PolarHBondContact O-OG 3.35Å |
| 373 | K | 88.1 | Confident | 79 | Confident | 141 Ų | 141 | 105 Ų | 105 | 61% | 0.613 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59 | -40.5 | 175.2 | -173.1 | 177.8 | 180 | -178.9 | 0 | 112.7 | E369 T375 S376 E377 | E369-K373 WeakPolarHBondContact O-CB 3.41Å; E369-K373 PolarHBondContact O-N 3.03Å; K373-T375 PolarHBondContact O-N 3.21Å; K373-S376 WeakPolarHBondContact CA-OG 3.4Å; K373-S376 PolarHBondContact O-OG 3.38Å; K373-E377 WeakPolarHBondContact O-CG 3.46Å; K373-E377 PolarHBondContact O-N 3.19Å |
| 374 | M | 81.6 | Confident | 77.2 | Confident | 108 Ų | 108 | 108 Ų | 108 | 53% | 0.532 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.6 | -24 | 177 | -72.6 | -173.4 | -60.3 | 0 | 0 | 113.3 | S370 L371 E372 | S370-M374 WeakPolarHBondContact O-CG 3.4Å; S370-M374 PolarHBondContact O-N 3.24Å; L371-M374 HydrophobicContact CD2-CE 3.6Å; L371-M374 HydrophobicContact CG-CE 4.3Å; L371-M374 PolarHBondContact O-N 3.44Å; E372-M374 VanDerWaalsContact C-N 3.32Å; E372-M374 PolarHBondContact O-N 2.97Å |
| 375 | T | 86.1 | Confident | 75.2 | Confident | 119 Ų | 119 | 112 Ų | 112 | 73% | 0.73 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -92.3 | -30.4 | -179.5 | -50.2 | 0 | 0 | 0 | 0 | 111.9 | L371 E372 K373 | L371-T375 PolarHBondContact O-N 3.27Å; L371-T375 PolarHBondContact O-OG1 3.46Å; E372-T375 CarbonylContact O-C 3.54Å; E372-T375 PolarHBondContact O-N 2.79Å; K373-T375 PolarHBondContact O-N 3.21Å |
| 376 | S | 81.7 | Confident | 73.3 | Confident | 84 Ų | 84 | 114.2 Ų | 114.2 | 59% | 0.587 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -77.8 | -20.9 | -178.2 | 66 | 0 | 0 | 0 | 0 | 113.8 | E372 K373 P378 | E372-S376 WeakPolarHBondContact O-CB 3.17Å; E372-S376 PolarHBondContact O-N 3.25Å; E372-S376 PolarHBondContact O-OG 3.35Å; K373-S376 WeakPolarHBondContact CA-OG 3.4Å; K373-S376 PolarHBondContact O-OG 3.38Å; S376-P378 WeakPolarHBondContact O-CD 3.42Å |
| 377 | E | 64.1 | Low | 71.5 | Confident | 128 Ų | 128 | 118 Ų | 118 | 60% | 0.598 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -72.3 | 105.6 | 175.7 | -67.4 | -64.6 | 150.1 | 0 | 0 | 109.8 | K373 S379 | K373-E377 WeakPolarHBondContact O-CG 3.46Å; K373-E377 PolarHBondContact O-N 3.19Å; E377-S379 PolarHBondContact O-N 3.3Å; E377-S379 VanDerWaalsContact O-N 3.09Å |
| 378 | P | 60.8 | Low | 69.7 | Low | 108 Ų | 108 | 121.3 Ų | 121.3 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | trans | -80.8 | 96.3 | -174.2 | 31.2 | -26.4 | 0 | 0 | 0 | 109.5 | S376 G380 | S376-P378 WeakPolarHBondContact O-CD 3.42Å; P378-G380 PolarHBondContact O-N 3.32Å | ||
| 379 | S | 58.9 | Low | 67.9 | Low | 129 Ų | 129 | 121.7 Ų | 121.7 | 90% | 0.902 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 33.7 | 18.9 | 156 | -65.5 | 0 | 0 | 0 | 0 | 120.7 | E377 | E377-S379 PolarHBondContact O-N 3.3Å; E377-S379 VanDerWaalsContact O-N 3.09Å |
| 380 | G | 54.4 | Low | 66 | Low | 60 Ų | 60 | 122.3 Ų | 122.3 | 62% | 0.619 | 65% | 0.648 | S | S | * | * | trans | -104.4 | 122.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | P378 | P378-G380 PolarHBondContact O-N 3.32Š| ||
| 381 | D | 52.2 | Low | 64.3 | Low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | trans | 71.7 | 68.2 | 172.1 | -58.4 | -34.9 | 0 | 0 | 0 | 117.4 | K383 | D381-K383 PolarHBondContact O-N 3.31Š| ||
| 382 | L | 58.9 | Low | 62.9 | Low | 149 Ų | 149 | 125.1 Ų | 125.1 | 78% | 0.78 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -0.4 | 167.9 | -80.3 | 147.4 | 0 | 0 | 0 | 116.2 | ||
| 383 | K | 58.8 | Low | 61.6 | Low | 203 Ų | 203 | 122.5 Ų | 122.5 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -18.1 | -172.3 | -80.3 | 179.6 | 175.4 | 175.6 | 0 | 115.6 | D381 | D381-K383 PolarHBondContact O-N 3.31Š|
| 384 | S | 54.3 | Low | 60.6 | Low | 92 Ų | 92 | 118.3 Ų | 118.3 | 64% | 0.643 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -95.9 | -1.8 | 179.4 | 24.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 385 | R | 53.2 | Low | 59.9 | Low | 151 Ų | 151 | 117.5 Ų | 117.5 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -85.5 | -19.1 | -170.8 | -167.1 | 165.2 | 147 | 139.8 | -7.5 | 114.5 | Q387 H389 | R385-Q387 PolarHBondContact O-N 3.43Å; R385-H389 WeakPolarHBondContact CG-NE2 3.4Å; R385-H389 PolarHBondContact O-CD2 2.89Å |
| 386 | E | 54.5 | Low | 59.2 | Low | 157 Ų | 157 | 114.5 Ų | 114.5 | 73% | 0.734 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -78.5 | -20.3 | -172 | -71.1 | -170.7 | 130.9 | 0 | 0 | 115.1 | H390 | E386-H390 PolarHBondContact O-NE2 2.67Š|
| 387 | Q | 52.2 | Low | 58.7 | Low | 179 Ų | 179 | 115 Ų | 115 | 84% | 0.836 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -95.5 | -11.1 | -172.6 | -70.6 | -170.2 | -4.1 | 0 | 0 | 115.8 | R385 | R385-Q387 PolarHBondContact O-N 3.43Š|
| 388 | L | 51.6 | Low | 59.3 | Low | 145 Ų | 145 | 116.6 Ų | 116.6 | 76% | 0.759 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -103.8 | -1.3 | -179.5 | -76.9 | 160.8 | 0 | 0 | 0 | 114 | ||
| 389 | H | 54 | Low | 60.1 | Low | 91 Ų | 91 | 113.6 Ų | 113.6 | 42% | 0.421 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -87.2 | -15.9 | -166.5 | -89.7 | -120.6 | 0 | 0 | 0 | 115.7 | R385 S393 | R385-H389 WeakPolarHBondContact CG-NE2 3.4Å; R385-H389 PolarHBondContact O-CD2 2.89Å; H389-S393 VanDerWaalsContact O-CB 3.29Å; H389-S393 WeakPolarHBondContact O-CB 3.44Å; H389-S393 PolarHBondContact O-N 3.39Å |
| 390 | H | 51.9 | Low | 61.1 | Low | 147 Ų | 147 | 111 Ų | 111 | 68% | 0.681 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -77.1 | -40.9 | -170.2 | -48 | -53.8 | 0 | 0 | 0 | 113.6 | E386 | E386-H390 PolarHBondContact O-NE2 2.67Å |
| 391 | S | 52.3 | Low | 62.4 | Low | 97 Ų | 97 | 113.7 Ų | 113.7 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -82.5 | -31.6 | -179.7 | -49.9 | 0 | 0 | 0 | 0 | 113 | S393 | S391-S393 VanDerWaalsContact C-N 3.34Å |
| 392 | S | 60.3 | Low | 64 | Low | 80 Ų | 80 | 109.4 Ų | 109.4 | 56% | 0.559 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.8 | -34.1 | 177.4 | -172.4 | 0 | 0 | 0 | 0 | 111.9 | A394 N395 S396 | S392-A394 PolarHBondContact O-N 3.18Å; S392-N395 PolarHBondContact O-N 3.1Å; S392-S396 VanDerWaalsContact O-CB 3.26Å; S392-S396 WeakPolarHBondContact O-CB 3.38Å; S392-S396 PolarHBondContact O-N 3.15Å |
| 393 | S | 63.1 | Low | 65.6 | Low | 68 Ų | 68 | 103 Ų | 103 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | -178.9 | -166.2 | 0 | 0 | 0 | 0 | 112.5 | H389 S391 S396 L397 | H389-S393 VanDerWaalsContact O-CB 3.29Å; H389-S393 WeakPolarHBondContact O-CB 3.44Å; H389-S393 PolarHBondContact O-N 3.39Å; S391-S393 VanDerWaalsContact C-N 3.34Å; S393-S396 PolarHBondContact O-N 2.89Å; S393-L397 WeakPolarHBondContact O-CB 3.42Å; S393-L397 PolarHBondContact O-N 3.37Å |
| 394 | A | 68 | Low | 67.2 | Low | 54 Ų | 54 | 98.9 Ų | 98.9 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S392 R398 | S392-A394 PolarHBondContact O-N 3.18Å; A394-R398 WeakPolarHBondContact O-CG 3.34Å; A394-R398 PolarHBondContact O-N 3.26Å |
| 395 | N | 67.6 | Low | 69.1 | Low | 91 Ų | 91 | 96.4 Ų | 96.4 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 175.1 | -76.2 | -17.3 | 0 | 0 | 0 | 111.8 | S392 L397 R398 N399 | S392-N395 PolarHBondContact O-N 3.1Å; N395-L397 VanDerWaalsContact C-N 3.34Å; N395-R398 PolarHBondContact O-N 3.02Å; N395-R398 PolarHBondContact OD1-NH2 3.37Å; N395-N399 WeakPolarHBondContact O-CB 3.5Å; N395-N399 PolarHBondContact O-N 3.06Å |
| 396 | S | 71.3 | Confident | 71 | Confident | 55 Ų | 55 | 89.8 Ų | 89.8 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 174.6 | -170.9 | 0 | 0 | 0 | 0 | 111.6 | S392 S393 N399 L400 | S392-S396 VanDerWaalsContact O-CB 3.26Å; S392-S396 WeakPolarHBondContact O-CB 3.38Å; S392-S396 PolarHBondContact O-N 3.15Å; S393-S396 PolarHBondContact O-N 2.89Å; S396-N399 PolarHBondContact O-N 3.3Å; S396-L400 VanDerWaalsContact O-CB 3.31Å; S396-L400 WeakPolarHBondContact O-CB 3.29Å; S396-L400 PolarHBondContact O-N 3.18Å |
| 397 | L | 71.2 | Confident | 73 | Confident | 95 Ų | 95 | 86.9 Ų | 86.9 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 177.3 | -129.1 | 137.1 | 0 | 0 | 0 | 112.2 | S393 N395 L400 Q401 | S393-L397 WeakPolarHBondContact O-CB 3.42Å; S393-L397 PolarHBondContact O-N 3.37Å; N395-L397 VanDerWaalsContact C-N 3.34Å; L397-L400 PolarHBondContact O-N 3.47Å; L397-Q401 WeakPolarHBondContact O-CG 3.37Å; L397-Q401 PolarHBondContact O-N 3.22Å |
| 398 | R | 75.4 | Confident | 75.1 | Confident | 162 Ų | 162 | 83.3 Ų | 83.3 | 61% | 0.611 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.3 | -43.4 | 174.5 | -74.8 | -169.7 | -72 | 179.2 | -2.9 | 112.4 | A394 N395 L400 Q401 S402 | A394-R398 WeakPolarHBondContact O-CG 3.34Å; A394-R398 PolarHBondContact O-N 3.26Å; N395-R398 PolarHBondContact O-N 3.02Å; N395-R398 PolarHBondContact OD1-NH2 3.37Å; R398-L400 VanDerWaalsContact C-N 3.33Å; R398-Q401 PolarHBondContact O-N 3.11Å; R398-S402 PolarHBondContact O-N 3.44Å; R398-S402 PolarHBondContact O-OG 2.66Å |
| 399 | N | 77.4 | Confident | 77.2 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 24% | 0.241 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.4 | -169.2 | -56.5 | 0 | 0 | 0 | 110.7 | Q366 N395 S396 S402 L403 | Q366-N399 PolarHBondContact NE2-ND2 2.88Å; Q366-N399 PolarHBondContact OE1-ND2 2.99Å; N395-N399 WeakPolarHBondContact O-CB 3.5Å; N395-N399 PolarHBondContact O-N 3.06Å; S396-N399 PolarHBondContact O-N 3.3Å; N399-S402 WeakPolarHBondContact CA-OG 3.36Å; N399-S402 PolarHBondContact O-N 3.28Å; N399-S402 PolarHBondContact O-OG 3.13Å; N399-L403 WeakPolarHBondContact O-CB 3.41Å; N399-L403 PolarHBondContact O-N 3.27Å |
| 400 | L | 79.5 | Confident | 79.2 | Confident | 73 Ų | 73 | 76 Ų | 76 | 38% | 0.382 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 176.1 | -163.3 | 73 | 0 | 0 | 0 | 112.5 | S396 L397 R398 S402 L403 E404 | S396-L400 VanDerWaalsContact O-CB 3.31Å; S396-L400 WeakPolarHBondContact O-CB 3.29Å; S396-L400 PolarHBondContact O-N 3.18Å; L397-L400 PolarHBondContact O-N 3.47Å; R398-L400 VanDerWaalsContact C-N 3.33Å; L400-S402 VanDerWaalsContact C-N 3.34Å; L400-L403 HydrophobicContact CD1-CD2 4.45Å; L400-L403 PolarHBondContact O-N 3.24Å; L400-E404 WeakPolarHBondContact O-CB 3.47Å; L400-E404 PolarHBondContact O-N 3.22Å |
| 401 | Q | 82 | Confident | 81.3 | Confident | 118 Ų | 118 | 71.6 Ų | 71.6 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.4 | -40.6 | 174 | -75.9 | 175.7 | -1.4 | 0 | 0 | 111.8 | L397 R398 E404 A405 | L397-Q401 WeakPolarHBondContact O-CG 3.37Å; L397-Q401 PolarHBondContact O-N 3.22Å; R398-Q401 PolarHBondContact O-N 3.11Å; Q401-E404 PolarHBondContact O-N 3.12Å; Q401-A405 WeakPolarHBondContact O-CB 3.47Å; Q401-A405 PolarHBondContact O-N 2.89Å |
| 402 | S | 85.6 | Confident | 83.4 | Confident | 46 Ų | 46 | 71.9 Ų | 71.9 | 32% | 0.322 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 175.7 | 67.7 | 0 | 0 | 0 | 0 | 112.3 | R398 N399 L400 A405 V406 | R398-S402 PolarHBondContact O-N 3.44Å; R398-S402 PolarHBondContact O-OG 2.66Å; N399-S402 WeakPolarHBondContact CA-OG 3.36Å; N399-S402 PolarHBondContact O-N 3.28Å; N399-S402 PolarHBondContact O-OG 3.13Å; L400-S402 VanDerWaalsContact C-N 3.34Å; S402-A405 PolarHBondContact O-N 2.63Å; S402-V406 VanDerWaalsContact O-CG2 3.26Å; S402-V406 WeakPolarHBondContact O-CG2 3.41Å; S402-V406 PolarHBondContact O-N 3.29Å |
| 403 | L | 92.6 | Very high | 85 | Confident | 15 Ų | 15 | 69 Ų | 69 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 175.5 | 171.2 | 65.6 | 0 | 0 | 0 | 110.9 | L360 L363 L364 R367 N399 L400 V406 Y407 | L360-L403 HydrophobicContact CD1-CD1 3.7Å; L363-L403 HydrophobicContact CB-CB 4.43Å; L363-L403 HydrophobicContact CB-CD1 3.53Å; L364-L403 HydrophobicContact CD2-CD1 3.79Å; L364-L403 HydrophobicContact CD2-CD2 4.45Å; L364-L403 HydrophobicContact CG-CD1 3.99Å; R367-L403 HydrophobicContact CB-CD2 3.99Å; R367-L403 HydrophobicContact CG-CD2 4.06Å; N399-L403 WeakPolarHBondContact O-CB 3.41Å; N399-L403 PolarHBondContact O-N 3.27Å; L400-L403 HydrophobicContact CD1-CD2 4.45Å; L400-L403 PolarHBondContact O-N 3.24Å; L403-V406 PolarHBondContact O-N 3.44Å; L403-Y407 WeakPolarHBondContact O-CB 3.4Å; L403-Y407 PolarHBondContact O-N 2.66Å |
| 404 | E | 93.4 | Very high | 86.4 | Confident | 115 Ų | 115 | 67.8 Ų | 67.8 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 178.4 | -174.6 | 174.7 | -168.3 | 0 | 0 | 111.4 | L400 Q401 Y407 Q408 | L400-E404 WeakPolarHBondContact O-CB 3.47Å; L400-E404 PolarHBondContact O-N 3.22Å; Q401-E404 PolarHBondContact O-N 3.12Å; E404-Y407 PolarHBondContact O-N 3Å; E404-Q408 HydrophobicContact CG-CG 4.47Å; E404-Q408 VanDerWaalsContact O-CG 3.28Å; E404-Q408 WeakPolarHBondContact O-CG 3.37Å; E404-Q408 PolarHBondContact O-N 3.5Å |
| 405 | A | 93.6 | Very high | 87.7 | Confident | 41 Ų | 41 | 69.7 Ų | 69.7 | 34% | 0.339 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q401 S402 Y407 Q408 S409 L455 | Q401-A405 WeakPolarHBondContact O-CB 3.47Å; Q401-A405 PolarHBondContact O-N 2.89Å; S402-A405 PolarHBondContact O-N 2.63Å; A405-Y407 VanDerWaalsContact C-N 3.33Å; A405-Y407 PolarHBondContact O-N 2.96Å; A405-Q408 PolarHBondContact O-N 2.62Å; A405-S409 WeakPolarHBondContact O-CB 3.31Å; A405-S409 PolarHBondContact O-N 3.21Å; A405-L455 HydrophobicContact CB-CD2 4.25Å |
| 406 | V | 94.5 | Very high | 88.8 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 178.1 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | I356 Q359 L360 L363 S402 L403 S409 W410 | I356-V406 HydrophobicContact CG2-CG1 3.78Å; I356-V406 WeakPolarHBondContact CG2-O 3.46Å; Q359-V406 HydrophobicContact CB-CG1 4.29Å; L360-V406 HydrophobicContact CB-CG1 3.83Å; L360-V406 HydrophobicContact CD1-CB 4.5Å; L360-V406 HydrophobicContact CD1-CG1 4.14Å; L363-V406 HydrophobicContact CD1-CB 4.43Å; L363-V406 HydrophobicContact CD1-CG2 4.23Å; S402-V406 VanDerWaalsContact O-CG2 3.26Å; S402-V406 WeakPolarHBondContact O-CG2 3.41Å; S402-V406 PolarHBondContact O-N 3.29Å; L403-V406 PolarHBondContact O-N 3.44Å; V406-S409 PolarHBondContact O-N 2.87Å; V406-W410 PolarHBondContact O-N 2.92Å |
| 407 | Y | 96.2 | Very high | 89.8 | Confident | 95 Ų | 95 | 66 Ų | 66 | 37% | 0.373 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 177 | -179.6 | -107.7 | 0 | 0 | 0 | 112.5 | L360 L403 E404 A405 S409 W410 L411 | L360-Y407 HydrophobicContact CD1-CD2 4.25Å; L360-Y407 HydrophobicContact CD2-CD2 3.94Å; L403-Y407 WeakPolarHBondContact O-CB 3.4Å; L403-Y407 PolarHBondContact O-N 2.66Å; E404-Y407 PolarHBondContact O-N 3Å; A405-Y407 VanDerWaalsContact C-N 3.33Å; A405-Y407 PolarHBondContact O-N 2.96Å; Y407-S409 VanDerWaalsContact C-N 3.33Å; Y407-S409 PolarHBondContact O-N 2.95Å; Y407-W410 PolarHBondContact O-N 3.24Å; Y407-L411 HydrophobicContact CD1-CD1 3.87Å; Y407-L411 HydrophobicContact CD1-CG 4.44Å; Y407-L411 HydrophobicContact CE1-CD1 3.33Å; Y407-L411 HydrophobicContact CE1-CG 4.05Å; Y407-L411 HydrophobicContact CE2-CD1 4.48Å; Y407-L411 HydrophobicContact CE2-CG 4.36Å; Y407-L411 PolarHBondContact O-N 3.12Å |
| 408 | Q | 96.1 | Very high | 90.7 | Very high | 105 Ų | 105 | 66.8 Ų | 66.8 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 176.6 | -68.7 | -61.5 | -21.1 | 0 | 0 | 111.7 | E404 A405 W410 L411 L412 | E404-Q408 HydrophobicContact CG-CG 4.47Å; E404-Q408 VanDerWaalsContact O-CG 3.28Å; E404-Q408 WeakPolarHBondContact O-CG 3.37Å; E404-Q408 PolarHBondContact O-N 3.5Å; A405-Q408 PolarHBondContact O-N 2.62Å; Q408-W410 VanDerWaalsContact C-N 3.34Å; Q408-W410 PolarHBondContact O-N 3.16Å; Q408-L411 PolarHBondContact O-N 3.16Å; Q408-L412 PolarHBondContact O-N 3.18Å |
| 409 | S | 95.1 | Very high | 91.2 | Very high | 20 Ų | 20 | 67.3 Ų | 67.3 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 174.9 | -172.1 | 0 | 0 | 0 | 0 | 112.1 | I356 A405 V406 Y407 L413 L452 | I356-S409 WeakPolarHBondContact CD1-OG 3.45Å; A405-S409 WeakPolarHBondContact O-CB 3.31Å; A405-S409 PolarHBondContact O-N 3.21Å; V406-S409 PolarHBondContact O-N 2.87Å; Y407-S409 VanDerWaalsContact C-N 3.33Å; Y407-S409 PolarHBondContact O-N 2.95Å; S409-L413 PolarHBondContact O-N 3.27Å; S409-L452 VanDerWaalsContact OG-CD2 3.25Å; S409-L452 WeakPolarHBondContact OG-CD2 3.32Å |
| 410 | W | 96.9 | Very high | 90.9 | Very high | 63 Ų | 63 | 66.5 Ų | 66.5 | 24% | 0.239 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 176.3 | -179.8 | 78.1 | 0 | 0 | 0 | 111.5 | I356 L360 V406 Y407 Q408 L412 L413 N414 | I356-W410 HydrophobicContact CG2-CB 3.72Å; L360-W410 HydrophobicContact CD2-CB 3.87Å; L360-W410 HydrophobicContact CD2-CD2 4.16Å; L360-W410 HydrophobicContact CD2-CE3 4.38Å; L360-W410 HydrophobicContact CD2-CG 3.92Å; V406-W410 PolarHBondContact O-N 2.92Å; Y407-W410 PolarHBondContact O-N 3.24Å; Q408-W410 VanDerWaalsContact C-N 3.34Å; Q408-W410 PolarHBondContact O-N 3.16Å; W410-L412 PolarHBondContact O-N 3.12Å; W410-L413 PolarHBondContact O-N 3.3Å; W410-N414 HydrophobicContact CD2-CB 4.45Å; W410-N414 HydrophobicContact CH2-CB 4.31Å; W410-N414 HydrophobicContact CZ2-CB 4.13Å; W410-N414 VanDerWaalsContact O-CB 3.23Å; W410-N414 WeakPolarHBondContact O-CB 3.48Å; W410-N414 PolarHBondContact O-N 2.82Å |
| 411 | L | 96.3 | Very high | 90.1 | Very high | 54 Ų | 54 | 65.5 Ų | 65.5 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 178.4 | -79.8 | 177.6 | 0 | 0 | 0 | 112.6 | Y407 Q408 L413 N414 E415 | Y407-L411 HydrophobicContact CD1-CD1 3.87Å; Y407-L411 HydrophobicContact CD1-CG 4.44Å; Y407-L411 HydrophobicContact CE1-CD1 3.33Å; Y407-L411 HydrophobicContact CE1-CG 4.05Å; Y407-L411 HydrophobicContact CE2-CD1 4.48Å; Y407-L411 HydrophobicContact CE2-CG 4.36Å; Y407-L411 PolarHBondContact O-N 3.12Å; Q408-L411 PolarHBondContact O-N 3.16Å; L411-L413 VanDerWaalsContact C-N 3.32Å; L411-L413 PolarHBondContact O-N 3.04Å; L411-N414 PolarHBondContact O-N 3.22Å; L411-E415 WeakPolarHBondContact O-CB 3.48Å; L411-E415 PolarHBondContact O-N 2.91Å |
| 412 | L | 94.8 | Very high | 88.8 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 53% | 0.534 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | -180 | -176.7 | 65.5 | 0 | 0 | 0 | 111.4 | Q408 W410 A416 | Q408-L412 PolarHBondContact O-N 3.18Å; W410-L412 PolarHBondContact O-N 3.12Å; L412-A416 WeakPolarHBondContact O-CB 3.46Å; L412-A416 PolarHBondContact O-N 2.92Å |
| 413 | L | 93.5 | Very high | 87.3 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -74.3 | -40.2 | -178.4 | -169.3 | 56.6 | 0 | 0 | 0 | 112.3 | Q352 E353 I356 S409 W410 L411 A416 N417 | Q352-L413 HydrophobicContact CB-CD2 3.58Å; E353-L413 VanDerWaalsContact CA-CD2 3.46Å; E353-L413 HydrophobicContact CB-CD2 3.84Å; E353-L413 HydrophobicContact CB-CG 3.97Å; E353-L413 HydrophobicContact CG-CG 4.4Å; I356-L413 HydrophobicContact CD1-CD2 3.94Å; S409-L413 PolarHBondContact O-N 3.27Å; W410-L413 PolarHBondContact O-N 3.3Å; L411-L413 VanDerWaalsContact C-N 3.32Å; L411-L413 PolarHBondContact O-N 3.04Å; L413-A416 PolarHBondContact O-N 3.13Å; L413-N417 WeakPolarHBondContact O-CB 3.37Å; L413-N417 VanDerWaalsContact O-CG 3.31Å; L413-N417 PolarHBondContact O-N 3.15Å; L413-N417 PolarHBondContact O-ND2 3.28Å |
| 414 | N | 94.4 | Very high | 85.4 | Confident | 41 Ų | 41 | 70 Ų | 70 | 22% | 0.219 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 171.3 | 174.4 | 56.6 | 0 | 0 | 0 | 110.5 | E353 W410 L411 A416 N417 Q418 | E353-N414 HydrophobicContact CG-CB 4.45Å; W410-N414 HydrophobicContact CD2-CB 4.45Å; W410-N414 HydrophobicContact CH2-CB 4.31Å; W410-N414 HydrophobicContact CZ2-CB 4.13Å; W410-N414 VanDerWaalsContact O-CB 3.23Å; W410-N414 WeakPolarHBondContact O-CB 3.48Å; W410-N414 PolarHBondContact O-N 2.82Å; L411-N414 PolarHBondContact O-N 3.22Å; N414-A416 VanDerWaalsContact C-N 3.34Å; N414-A416 PolarHBondContact O-N 3.39Å; N414-N417 PolarHBondContact O-N 3.37Å; N414-Q418 WeakPolarHBondContact O-CB 3.13Å; N414-Q418 WeakPolarHBondContact O-CG 3.31Å; N414-Q418 PolarHBondContact O-N 3.25Å |
| 415 | E | 94.2 | Very high | 83.1 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.6 | -166.9 | -171.5 | 152.5 | 0 | 0 | 112.1 | L411 N417 Q418 R419 | L411-E415 WeakPolarHBondContact O-CB 3.48Å; L411-E415 PolarHBondContact O-N 2.91Å; E415-N417 VanDerWaalsContact C-N 3.35Å; E415-N417 PolarHBondContact O-N 3.48Å; E415-Q418 PolarHBondContact O-N 3.34Å; E415-R419 WeakPolarHBondContact O-CG 3.45Å; E415-R419 PolarHBondContact O-N 3.29Å; E415-R419 IonicContact OE1-CZ 2.79Å; E415-R419 VanDerWaalsContact OE1-CZ 3.24Å; E415-R419 IonicContact OE1-NE 3.72Å; E415-R419 PolarHBondContact OE1-NE 3.27Å; E415-R419 IonicContact OE1-NH2 3.24Å; E415-R419 PolarHBondContact OE1-NH2 3.3Å |
| 416 | A | 91.9 | Very high | 80.6 | Confident | 54 Ų | 54 | 73 Ų | 73 | 45% | 0.446 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L412 L413 N414 R419 G420 | L412-A416 WeakPolarHBondContact O-CB 3.46Å; L412-A416 PolarHBondContact O-N 2.92Å; L413-A416 PolarHBondContact O-N 3.13Å; N414-A416 VanDerWaalsContact C-N 3.34Å; N414-A416 PolarHBondContact O-N 3.39Å; A416-R419 PolarHBondContact O-N 3.02Å; A416-G420 PolarHBondContact O-N 3.47Å; A416-G420 VanDerWaalsContact O-N 3.14Å |
| 417 | N | 92.3 | Very high | 78.2 | Confident | 15 Ų | 15 | 78.5 Ų | 78.5 | 8% | 0.08 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 178.7 | -73.4 | -21.8 | 0 | 0 | 0 | 112.6 | S349 L350 E353 L413 N414 E415 G420 S421 | S349-N417 WeakPolarHBondContact CB-OD1 3.37Å; S349-N417 PolarHBondContact O-ND2 3.31Å; S349-N417 PolarHBondContact OG-OD1 3.12Å; L350-N417 HydrophobicContact CD2-CB 4.2Å; E353-N417 PolarHBondContact OE2-ND2 2.95Å; L413-N417 WeakPolarHBondContact O-CB 3.37Å; L413-N417 VanDerWaalsContact O-CG 3.31Å; L413-N417 PolarHBondContact O-N 3.15Å; L413-N417 PolarHBondContact O-ND2 3.28Å; N414-N417 PolarHBondContact O-N 3.37Å; E415-N417 VanDerWaalsContact C-N 3.35Å; E415-N417 PolarHBondContact O-N 3.48Å; N417-G420 PolarHBondContact O-N 3.32Å; N417-S421 PolarHBondContact O-N 2.65Å |
| 418 | Q | 89.8 | Confident | 75.7 | Confident | 111 Ų | 111 | 79 Ų | 79 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.2 | -34.5 | 176.7 | -65 | -69.1 | 85.6 | 0 | 0 | 112.5 | N414 E415 G420 S421 N422 | N414-Q418 WeakPolarHBondContact O-CB 3.13Å; N414-Q418 WeakPolarHBondContact O-CG 3.31Å; N414-Q418 PolarHBondContact O-N 3.25Å; E415-Q418 PolarHBondContact O-N 3.34Å; Q418-G420 VanDerWaalsContact C-N 3.32Å; Q418-S421 PolarHBondContact O-OG 3.4Å; Q418-S421 VanDerWaalsContact O-OG 3.12Å; Q418-N422 PolarHBondContact O-ND2 3.3Å |
| 419 | R | 85.3 | Confident | 73.1 | Confident | 173 Ų | 173 | 81.1 Ų | 81.1 | 65% | 0.653 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.6 | -36.6 | 172.4 | -72.7 | 174.6 | -179.2 | -96.4 | 3.5 | 111.4 | E415 A416 | E415-R419 WeakPolarHBondContact O-CG 3.45Å; E415-R419 PolarHBondContact O-N 3.29Å; E415-R419 IonicContact OE1-CZ 2.79Å; E415-R419 VanDerWaalsContact OE1-CZ 3.24Å; E415-R419 IonicContact OE1-NE 3.72Å; E415-R419 PolarHBondContact OE1-NE 3.27Å; E415-R419 IonicContact OE1-NH2 3.24Å; E415-R419 PolarHBondContact OE1-NH2 3.3Å; A416-R419 PolarHBondContact O-N 3.02Å |
| 420 | G | 71.8 | Confident | 70.6 | Confident | 28 Ų | 28 | 88.2 Ų | 88.2 | 29% | 0.289 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A416 N417 Q418 N422 S423 | A416-G420 PolarHBondContact O-N 3.47Å; A416-G420 VanDerWaalsContact O-N 3.14Å; N417-G420 PolarHBondContact O-N 3.32Å; Q418-G420 VanDerWaalsContact C-N 3.32Å; G420-N422 VanDerWaalsContact C-N 3.3Å; G420-N422 PolarHBondContact O-N 3.21Å; G420-S423 PolarHBondContact O-N 3.07Å; G420-S423 PolarHBondContact O-OG 2.93Å |
| 421 | S | 61.6 | Low | 67.9 | Low | 52 Ų | 52 | 89.6 Ų | 89.6 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -29.5 | -176.1 | 71.1 | 0 | 0 | 0 | 0 | 114.1 | N417 Q418 | N417-S421 PolarHBondContact O-N 2.65Å; Q418-S421 PolarHBondContact O-OG 3.4Å; Q418-S421 VanDerWaalsContact O-OG 3.12Å |
| 422 | N | 55.7 | Low | 65.1 | Low | 136 Ų | 136 | 94.1 Ų | 94.1 | 73% | 0.727 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -9 | -172 | -64.2 | -16.9 | 0 | 0 | 0 | 113.5 | Q418 G420 | Q418-N422 PolarHBondContact O-ND2 3.3Å; G420-N422 VanDerWaalsContact C-N 3.3Å; G420-N422 PolarHBondContact O-N 3.21Å |
| 423 | S | 54.3 | Low | 62.4 | Low | 87 Ų | 87 | 94.5 Ų | 94.5 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -19.5 | -177 | 70 | 0 | 0 | 0 | 0 | 114.4 | G420 G425 | G420-S423 PolarHBondContact O-N 3.07Å; G420-S423 PolarHBondContact O-OG 2.93Å; S423-G425 VanDerWaalsContact C-N 3.26Å; S423-G425 PolarHBondContact O-N 3.15Å |
| 424 | S | 52.9 | Low | 59.8 | Low | 51 Ų | 51 | 99.9 Ų | 99.9 | 36% | 0.357 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | 6.4 | -173.5 | -43.8 | 0 | 0 | 0 | 0 | 115 | E342 R346 | E342-S424 PolarHBondContact OE1-OG 3.47Å; R346-S424 PolarHBondContact NH2-OG 3.42Å |
| 425 | G | 44 | Very low | 57.2 | Low | 68 Ų | 68 | 103.2 Ų | 103.2 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -8.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S423 | S423-G425 VanDerWaalsContact C-N 3.26Å; S423-G425 PolarHBondContact O-N 3.15Å |
| 426 | N | 40.2 | Very low | 54.5 | Low | 151 Ų | 151 | 109.7 Ų | 109.7 | 81% | 0.807 | 64% | 0.642 | S | S | * | * | trans | -117 | 84.8 | 179 | -80.5 | -2.4 | 0 | 0 | 0 | 110.1 | P428 | N426-P428 VanDerWaalsContact O-CD 3.31Å; N426-P428 WeakPolarHBondContact O-CD 3.46Å | ||
| 427 | T | 45.7 | Very low | 52.1 | Low | 128 Ų | 128 | 116 Ų | 116 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | trans | -66.4 | 118.2 | 161.5 | 49 | 0 | 0 | 0 | 0 | 107.9 | N429 | T427-N429 PolarHBondContact O-N 2.92Š| ||
| 428 | P | 43.9 | Very low | 49.4 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 68% | 0.682 | 70% | 0.695 | S | S | * | * | trans | -73.1 | 118.6 | 174.4 | 29 | -28.9 | 0 | 0 | 0 | 107.2 | N426 L430 | N426-P428 VanDerWaalsContact O-CD 3.31Å; N426-P428 WeakPolarHBondContact O-CD 3.46Å; P428-L430 PolarHBondContact O-N 2.99Å | ||
| 429 | N | 40.1 | Very low | 47.2 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 80% | 0.802 | 71% | 0.708 | S | S | * | * | trans | -51.3 | 108.3 | 164.1 | -131.8 | -35.2 | 0 | 0 | 0 | 107.5 | T427 S431 | T427-N429 PolarHBondContact O-N 2.92Å; N429-S431 PolarHBondContact O-N 3.35Å | ||
| 430 | L | 42.7 | Very low | 44.7 | Very low | 169 Ų | 169 | 121 Ų | 121 | 89% | 0.885 | 71% | 0.707 | S | S | * | * | trans | -70.7 | 81.1 | 173.8 | -85 | 96.8 | 0 | 0 | 0 | 108.6 | P428 | P428-L430 PolarHBondContact O-N 2.99Š| ||
| 431 | S | 40.9 | Very low | 43.5 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | -123.5 | 95 | 161.2 | -72.4 | 0 | 0 | 0 | 0 | 107.4 | N429 S433 | N429-S431 PolarHBondContact O-N 3.35Å; S431-S433 PolarHBondContact O-N 2.94Å | ||
| 432 | T | 37 | Very low | 42.3 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 91% | 0.914 | 75% | 0.745 | S | S | * | * | trans | 29.7 | 93.6 | 143.8 | -12.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 433 | S | 38.7 | Very low | 41.4 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | -165.5 | 118.4 | 149.8 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | S431 S435 | S431-S433 PolarHBondContact O-N 2.94Å; S433-S435 PolarHBondContact O-N 3.32Å | ||
| 434 | V | 38 | Very low | 40.9 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | -73.2 | 115 | 174.6 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 435 | S | 39.6 | Very low | 40.4 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -153.5 | 110.8 | 155.9 | -84.4 | 0 | 0 | 0 | 0 | 110.2 | S433 | S433-S435 PolarHBondContact O-N 3.32Š| ||
| 436 | R | 38.6 | Very low | 40.4 | Very low | 231 Ų | 231 | 132.6 Ų | 132.6 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -72.9 | 121 | 176.1 | -66.8 | 174 | -177.5 | -179.9 | -0.2 | 109.1 | ||||
| 437 | H | 41.3 | Very low | 40.8 | Very low | 185 Ų | 185 | 129.5 Ų | 129.5 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | -139.2 | 111.2 | 143.8 | -81.4 | -62 | 0 | 0 | 0 | 108.4 | ||||
| 438 | S | 34.8 | Very low | 41 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | -76.6 | 116.9 | 179 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 439 | I | 44.7 | Very low | 41.4 | Very low | 154 Ų | 154 | 127 Ų | 127 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -125.3 | 105.1 | 160.6 | -58.3 | 178.7 | 0 | 0 | 0 | 105.2 | P441 | I439-P441 WeakPolarHBondContact O-CD 3.4Š| ||
| 440 | H | 33.3 | Very low | 42.1 | Very low | 139 Ų | 139 | 129 Ų | 129 | 64% | 0.644 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 120.1 | 175.9 | -134.7 | -85.7 | 0 | 0 | 0 | 108.5 | H443 | H440-H443 AromaticContact CE1-NE2 3.65Š|
| 441 | P | 44.9 | Very low | 42.7 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 136.6 | 160.2 | -3.3 | 23.1 | 0 | 0 | 0 | 108.1 | I439 | I439-P441 WeakPolarHBondContact O-CD 3.4Š|
| 442 | A | 37.5 | Very low | 43.6 | Very low | 85 Ų | 85 | 126.4 Ų | 126.4 | 70% | 0.702 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 144.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T444 | A442-T444 PolarHBondContact O-N 3.2Å; A442-T444 VanDerWaalsContact O-N 3.08Å |
| 443 | H | 35.6 | Very low | 45 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | trans | -53.6 | 107.3 | 164.4 | -57 | -96.4 | 0 | 0 | 0 | 109 | H440 N445 | H440-H443 AromaticContact CE1-NE2 3.65Å; H443-N445 PolarHBondContact O-N 2.78Å | ||
| 444 | T | 44.5 | Very low | 46.3 | Very low | 139 Ų | 139 | 124.1 Ų | 124.1 | 85% | 0.853 | 66% | 0.662 | S | S | * | * | trans | -74.1 | 122.2 | 161.8 | 48.5 | 0 | 0 | 0 | 0 | 106.9 | A442 A446 | A442-T444 PolarHBondContact O-N 3.2Å; A442-T444 VanDerWaalsContact O-N 3.08Å; T444-A446 PolarHBondContact O-N 3.27Å | ||
| 445 | N | 42 | Very low | 47.4 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 54% | 0.54 | 64% | 0.637 | S | S | . | * | trans | -67.4 | 129.8 | -166 | -65.9 | -51.5 | 0 | 0 | 0 | 110.8 | H443 T447 D448 | H443-N445 PolarHBondContact O-N 2.78Å; N445-T447 WeakPolarHBondContact CB-OG1 3.47Å; N445-T447 PolarHBondContact O-N 3.2Å; N445-D448 PolarHBondContact O-N 2.82Å | ||
| 446 | A | 44.5 | Very low | 48.3 | Very low | 75 Ų | 75 | 117.5 Ų | 117.5 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -56.2 | -8.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T444 | T444-A446 PolarHBondContact O-N 3.27Å |
| 447 | T | 49.2 | Very low | 49.3 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 53% | 0.528 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73.8 | -34 | 174 | 54 | 0 | 0 | 0 | 0 | 113 | N445 R450 Y451 | N445-T447 WeakPolarHBondContact CB-OG1 3.47Å; N445-T447 PolarHBondContact O-N 3.2Å; T447-R450 PolarHBondContact O-N 2.95Å; T447-Y451 PolarHBondContact O-N 2.92Å |
| 448 | D | 49.9 | Very low | 49.9 | Very low | 94 Ų | 94 | 109.8 Ų | 109.8 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.1 | -41.1 | -177.8 | -78 | -17.4 | 0 | 0 | 0 | 111.3 | N445 R450 Y451 L452 | N445-D448 PolarHBondContact O-N 2.82Å; D448-R450 VanDerWaalsContact C-N 3.26Å; D448-R450 PolarHBondContact O-N 3.32Å; D448-Y451 PolarHBondContact O-N 3.47Å; D448-L452 WeakPolarHBondContact O-CG 3.4Å; D448-L452 PolarHBondContact O-N 3.4Å |
| 449 | S | 51.1 | Low | 50.6 | Low | 87 Ų | 87 | 109.4 Ų | 109.4 | 61% | 0.608 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.7 | -31.6 | 173.9 | -62.4 | 0 | 0 | 0 | 0 | 112.8 | H453 | S449-H453 WeakPolarHBondContact O-CB 3.44Å; S449-H453 PolarHBondContact O-N 3.29Å |
| 450 | R | 55.8 | Low | 50.5 | Low | 191 Ų | 191 | 107 Ų | 107 | 72% | 0.721 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.9 | -38.8 | 176.2 | -72.7 | -145.9 | -89.9 | -152 | -1.5 | 112.5 | T447 D448 H453 E454 | T447-R450 PolarHBondContact O-N 2.95Å; D448-R450 VanDerWaalsContact C-N 3.26Å; D448-R450 PolarHBondContact O-N 3.32Å; R450-H453 PolarHBondContact O-N 3.34Å; R450-E454 WeakPolarHBondContact O-CB 3.33Å; R450-E454 PolarHBondContact O-N 3.5Å |
| 451 | Y | 55.2 | Low | 51 | Low | 156 Ų | 156 | 106.6 Ų | 106.6 | 61% | 0.612 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.5 | -40.7 | 174.7 | -173.9 | -103.5 | 0 | 0 | 0 | 112.2 | T447 D448 E454 L455 | T447-Y451 PolarHBondContact O-N 2.92Å; D448-Y451 PolarHBondContact O-N 3.47Å; Y451-E454 WeakPolarHBondContact O-CB 3.42Å; Y451-E454 PolarHBondContact O-N 2.93Å; Y451-L455 HydrophobicContact CD1-CD1 3.79Å; Y451-L455 HydrophobicContact CD2-CD1 4.47Å; Y451-L455 HydrophobicContact CE1-CD1 3.28Å; Y451-L455 HydrophobicContact CE2-CD1 4.05Å; Y451-L455 HydrophobicContact CG-CD1 4.36Å; Y451-L455 VanDerWaalsContact CZ-CD1 3.43Å; Y451-L455 PolarHBondContact O-N 3.32Å |
| 452 | L | 59.5 | Low | 51 | Low | 50 Ų | 50 | 107 Ų | 107 | 26% | 0.262 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.6 | -42.1 | 174.3 | -69.8 | -177.3 | 0 | 0 | 0 | 112.2 | S409 D448 E454 L455 M456 | S409-L452 VanDerWaalsContact OG-CD2 3.25Å; S409-L452 WeakPolarHBondContact OG-CD2 3.32Å; D448-L452 WeakPolarHBondContact O-CG 3.4Å; D448-L452 PolarHBondContact O-N 3.4Å; L452-E454 VanDerWaalsContact C-N 3.32Å; L452-E454 PolarHBondContact O-N 2.9Å; L452-L455 PolarHBondContact O-N 3.34Å; L452-M456 WeakPolarHBondContact O-CG 3.39Å; L452-M456 PolarHBondContact O-N 2.95Å |
| 453 | H | 65.4 | Low | 51.4 | Low | 96 Ų | 96 | 106.8 Ų | 106.8 | 44% | 0.444 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.1 | -40.9 | 174.5 | -174.5 | -86.1 | 0 | 0 | 0 | 112.1 | S449 R450 M456 M457 | S449-H453 WeakPolarHBondContact O-CB 3.44Å; S449-H453 PolarHBondContact O-N 3.29Å; R450-H453 PolarHBondContact O-N 3.34Å; H453-M456 PolarHBondContact O-N 3.36Å; H453-M457 WeakPolarHBondContact NE2-CE 3.43Å; H453-M457 WeakPolarHBondContact O-CB 3.32Å; H453-M457 VanDerWaalsContact O-CG 3.23Å; H453-M457 WeakPolarHBondContact O-CG 3.45Å; H453-M457 PolarHBondContact O-N 3.46Å |
| 454 | E | 66.8 | Low | 51.3 | Low | 116 Ų | 116 | 107 Ų | 107 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.6 | -44 | 175.9 | -163.1 | 85.9 | -164.3 | 0 | 0 | 111.9 | R450 Y451 L452 M457 Q458 | R450-E454 WeakPolarHBondContact O-CB 3.33Å; R450-E454 PolarHBondContact O-N 3.5Å; Y451-E454 WeakPolarHBondContact O-CB 3.42Å; Y451-E454 PolarHBondContact O-N 2.93Å; L452-E454 VanDerWaalsContact C-N 3.32Å; L452-E454 PolarHBondContact O-N 2.9Å; E454-M457 PolarHBondContact O-N 2.89Å; E454-Q458 WeakPolarHBondContact O-CG 3.42Å; E454-Q458 PolarHBondContact O-N 3.1Å |
| 455 | L | 61.4 | Low | 51.3 | Low | 57 Ų | 57 | 107.6 Ų | 107.6 | 30% | 0.298 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.9 | -39 | 176.9 | -104 | 107.2 | 0 | 0 | 0 | 112.6 | A405 Y451 L452 | A405-L455 HydrophobicContact CB-CD2 4.25Å; Y451-L455 HydrophobicContact CD1-CD1 3.79Å; Y451-L455 HydrophobicContact CD2-CD1 4.47Å; Y451-L455 HydrophobicContact CE1-CD1 3.28Å; Y451-L455 HydrophobicContact CE2-CD1 4.05Å; Y451-L455 HydrophobicContact CG-CD1 4.36Å; Y451-L455 VanDerWaalsContact CZ-CD1 3.43Å; Y451-L455 PolarHBondContact O-N 3.32Å; L452-L455 PolarHBondContact O-N 3.34Å |
| 456 | M | 58.1 | Low | 51 | Low | 48 Ų | 48 | 110 Ų | 110 | 24% | 0.236 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -63.7 | -49.3 | 175.1 | -68.5 | -169.7 | -42.5 | 0 | 0 | 110 | L452 H453 Q458 N459 E460 | L452-M456 WeakPolarHBondContact O-CG 3.39Å; L452-M456 PolarHBondContact O-N 2.95Å; H453-M456 PolarHBondContact O-N 3.36Å; M456-Q458 PolarHBondContact O-N 2.81Å; M456-Q458 VanDerWaalsContact O-N 3.13Å; M456-N459 PolarHBondContact O-N 2.89Å; M456-E460 WeakPolarHBondContact O-CG 3.42Å |
| 457 | M | 60 | Low | 50.8 | Low | 110 Ų | 110 | 115 Ų | 115 | 54% | 0.542 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.7 | -23.6 | -177.8 | -69.6 | -67.3 | 148.8 | 0 | 0 | 114.1 | H453 E454 N459 | H453-M457 WeakPolarHBondContact NE2-CE 3.43Å; H453-M457 WeakPolarHBondContact O-CB 3.32Å; H453-M457 VanDerWaalsContact O-CG 3.23Å; H453-M457 WeakPolarHBondContact O-CG 3.45Å; H453-M457 PolarHBondContact O-N 3.46Å; E454-M457 PolarHBondContact O-N 2.89Å; M457-N459 VanDerWaalsContact C-N 3.32Å; M457-N459 PolarHBondContact O-N 3.45Å |
| 458 | Q | 54 | Low | 50.2 | Low | 145 Ų | 145 | 116.5 Ų | 116.5 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -16.6 | 176.6 | -75.8 | 176.6 | 17.7 | 0 | 0 | 114.1 | E454 M456 | E454-Q458 WeakPolarHBondContact O-CG 3.42Å; E454-Q458 PolarHBondContact O-N 3.1Å; M456-Q458 PolarHBondContact O-N 2.81Å; M456-Q458 VanDerWaalsContact O-N 3.13Å |
| 459 | N | 49.9 | Very low | 49.4 | Very low | 103 Ų | 103 | 114.9 Ų | 114.9 | 55% | 0.551 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 2 | -177.8 | -110.6 | 7.5 | 0 | 0 | 0 | 114.1 | M456 M457 T461 | M456-N459 PolarHBondContact O-N 2.89Å; M457-N459 VanDerWaalsContact C-N 3.32Å; M457-N459 PolarHBondContact O-N 3.45Å; N459-T461 PolarHBondContact O-N 3.43Å; N459-T461 VanDerWaalsContact O-N 3.16Å |
| 460 | E | 42.2 | Very low | 48.8 | Very low | 103 Ų | 103 | 115 Ų | 115 | 48% | 0.481 | 62% | 0.616 | S | S | . | * | trans | -90.5 | 77.6 | -175.1 | -58.5 | -87.1 | 128.4 | 0 | 0 | 110.3 | Q359 M456 | Q359-E460 PolarHBondContact NE2-OE1 2.89Å; M456-E460 WeakPolarHBondContact O-CG 3.42Å | ||
| 461 | T | 43.6 | Very low | 47.8 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | trans | -105.8 | 102 | 150.8 | 54.6 | 0 | 0 | 0 | 0 | 108.1 | N459 A463 | N459-T461 PolarHBondContact O-N 3.43Å; N459-T461 VanDerWaalsContact O-N 3.16Å; T461-A463 PolarHBondContact O-N 2.93Å; T461-A463 VanDerWaalsContact O-N 3.13Å | ||
| 462 | P | 45.9 | Very low | 46.9 | Very low | 122 Ų | 122 | 115.8 Ų | 115.8 | 79% | 0.792 | 63% | 0.634 | S | S | * | * | trans | -77.4 | 100.3 | 170.8 | 29.3 | -28 | 0 | 0 | 0 | 108 | D464 | P462-D464 PolarHBondContact O-N 3.12Š| ||
| 463 | A | 44 | Very low | 45.9 | Very low | 81 Ų | 81 | 121 Ų | 121 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | trans | -72.4 | 108.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | T461 L465 | T461-A463 PolarHBondContact O-N 2.93Å; T461-A463 VanDerWaalsContact O-N 3.13Å; A463-L465 PolarHBondContact O-N 2.97Å | ||
| 464 | D | 34.9 | Very low | 44.5 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 83% | 0.829 | 67% | 0.671 | S | S | * | * | trans | -50.4 | 103 | 159.4 | -96.1 | -40.2 | 0 | 0 | 0 | 108.4 | P462 | P462-D464 PolarHBondContact O-N 3.12Š| ||
| 465 | L | 43 | Very low | 43.1 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 80% | 0.796 | 69% | 0.685 | S | S | * | * | trans | -113.4 | 79.3 | 163.6 | -71.7 | 178.3 | 0 | 0 | 0 | 107.6 | A463 F467 | A463-L465 PolarHBondContact O-N 2.97Å; L465-F467 VanDerWaalsContact C-N 3.3Å; L465-F467 PolarHBondContact O-N 2.92Å | ||
| 466 | D | 36.9 | Very low | 41.8 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | -57 | 94.3 | 155.3 | -104.9 | -27.6 | 0 | 0 | 0 | 108.4 | S468 | D466-S468 PolarHBondContact O-N 2.89Å; D466-S468 VanDerWaalsContact O-N 3.15Å | ||
| 467 | F | 40.4 | Very low | 40.7 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | -87.3 | 68.8 | 169 | -149 | -92.6 | 0 | 0 | 0 | 109.4 | L465 | L465-F467 VanDerWaalsContact C-N 3.3Å; L465-F467 PolarHBondContact O-N 2.92Å | ||
| 468 | S | 36.2 | Very low | 39.4 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | trans | -88.2 | 115.6 | 163.7 | -163.4 | 0 | 0 | 0 | 0 | 108.7 | D466 | D466-S468 PolarHBondContact O-N 2.89Å; D466-S468 VanDerWaalsContact O-N 3.15Å | ||
| 469 | G | 33.4 | Very low | 38.8 | Very low | 61 Ų | 61 | 136.7 Ų | 136.7 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | 108 | 84.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 470 | S | 38.3 | Very low | 38 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | trans | -157.3 | 104 | 140.8 | -80.1 | 0 | 0 | 0 | 0 | 109.8 | L472 | S470-L472 PolarHBondContact O-N 3.2Å; S470-L472 VanDerWaalsContact O-N 3.16Å | ||
| 471 | K | 34.1 | Very low | 38 | Very low | 201 Ų | 201 | 140.2 Ų | 140.2 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -64.7 | 100.3 | 173.3 | -162 | 175.8 | -170.1 | -177.9 | 0 | 108.2 | ||||
| 472 | L | 37.5 | Very low | 37.7 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -117.2 | 118 | 168.6 | -71.9 | 177.4 | 0 | 0 | 0 | 109.7 | S470 | S470-L472 PolarHBondContact O-N 3.2Å; S470-L472 VanDerWaalsContact O-N 3.16Å | ||
| 473 | H | 37.8 | Very low | 37.6 | Very low | 161 Ų | 161 | 142 Ų | 142 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | trans | -56.5 | 143 | 179.2 | -96.4 | -108.5 | 0 | 0 | 0 | 112.3 | V475 | H473-V475 PolarHBondContact O-N 3.4Š| ||
| 474 | P | 36.7 | Very low | 37.8 | Very low | 113 Ų | 113 | 146 Ų | 146 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -72.7 | 114.8 | 162.8 | 12.7 | 0 | 0 | 0 | 0 | 108.8 | Q476 | P474-Q476 PolarHBondContact O-N 3.49Å; P474-Q476 VanDerWaalsContact O-N 3.07Å | ||
| 475 | V | 36.2 | Very low | 37.8 | Very low | 137 Ų | 137 | 148.3 Ų | 148.3 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -68.9 | 99.3 | 165.1 | 174.3 | 0 | 0 | 0 | 0 | 107.6 | H473 S477 | H473-V475 PolarHBondContact O-N 3.4Å; V475-S477 PolarHBondContact O-N 3.17Å | ||
| 476 | Q | 35 | Very low | 38.2 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -72.3 | 104.5 | 163.6 | -75.5 | -173.5 | -19.3 | 0 | 0 | 108.8 | P474 R478 | P474-Q476 PolarHBondContact O-N 3.49Å; P474-Q476 VanDerWaalsContact O-N 3.07Å; Q476-R478 PolarHBondContact O-N 2.86Å | ||
| 477 | S | 34.4 | Very low | 38.3 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | -75.1 | 103.4 | 166.6 | -170.5 | 0 | 0 | 0 | 0 | 109.1 | V475 H479 | V475-S477 PolarHBondContact O-N 3.17Å; S477-H479 PolarHBondContact O-N 2.88Å | ||
| 478 | R | 34.1 | Very low | 38.2 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -70 | 117.3 | 172 | -73.2 | 179.7 | 162.6 | 173.5 | -5.8 | 109.7 | Q476 | Q476-R478 PolarHBondContact O-N 2.86Š| ||
| 479 | H | 40.2 | Very low | 38.3 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 82% | 0.819 | 76% | 0.755 | S | S | * | * | trans | -106 | 104.9 | 151.7 | -80.4 | 72.3 | 0 | 0 | 0 | 108 | S477 | S477-H479 PolarHBondContact O-N 2.88Š| ||
| 480 | N | 33.6 | Very low | 38.7 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -70 | 123.8 | 173.2 | -72.7 | -25.9 | 0 | 0 | 0 | 109.5 | ||||
| 481 | V | 42.1 | Very low | 38.8 | Very low | 138 Ų | 138 | 153.8 Ų | 153.8 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -126.9 | 113.3 | 149.2 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 482 | N | 36.8 | Very low | 38.8 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -82.1 | 115.5 | -176.2 | -170.9 | 45.7 | 0 | 0 | 0 | 108.7 | ||||
| 483 | V | 45.1 | Very low | 38.9 | Very low | 139 Ų | 139 | 155.2 Ų | 155.2 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | -132.6 | 130.3 | 157.1 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 484 | K | 47.4 | Very low | 38.9 | Very low | 166 Ų | 166 | 153 Ų | 153 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -73.9 | 135.7 | -154.9 | -175.8 | 168.9 | 169.5 | 178.6 | 0 | 112.7 | E486 | K484-E486 VanDerWaalsContact CE-OE1 3.28Å; K484-E486 WeakPolarHBondContact CE-OE1 3.18Å | ||
| 485 | R | 34.4 | Very low | 39.4 | Very low | 203 Ų | 203 | 155.4 Ų | 155.4 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -84 | 133.6 | 169.1 | 178 | -169.5 | -62.4 | 129.6 | 0.1 | 108.9 | ||||
| 486 | E | 52 | Low | 39.4 | Very low | 158 Ų | 158 | 156 Ų | 156 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -121 | 125.5 | 154.2 | -66.2 | -73.6 | 147.4 | 0 | 0 | 106.7 | K484 | K484-E486 VanDerWaalsContact CE-OE1 3.28Å; K484-E486 WeakPolarHBondContact CE-OE1 3.18Å | ||
| 487 | H | 39.1 | Very low | 39.7 | Very low | 157 Ų | 157 | 154.1 Ų | 154.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -60.1 | 167.7 | 164.6 | -84.4 | -108.3 | 0 | 0 | 0 | 109.8 | ||||
| 488 | G | 37.7 | Very low | 39.8 | Very low | 54 Ų | 54 | 152.8 Ų | 152.8 | 56% | 0.557 | 78% | 0.775 | S | S | * | * | cis | 178.5 | 151.4 | 16.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 489 | E | 38.1 | Very low | 40 | Very low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | 99 | 128.8 | 112.8 | -71.2 | 167.9 | -154.3 | 0 | 0 | 113.1 | |||||
| 490 | E | 41.2 | Very low | 39.9 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | 74.1 | 141 | 151 | -65.5 | 172.5 | -178.3 | 0 | 0 | 116.4 | ||||
| 491 | E | 40.4 | Very low | 40.2 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | cis | -170.6 | 151.2 | 7.2 | 176.7 | 178.2 | 179.1 | 0 | 0 | 107.1 | ||||
| 492 | E | 35.5 | Very low | 39.9 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -19.5 | 124 | 159.6 | -173.1 | 174.1 | 166.8 | 0 | 0 | 118 | ||||
| 493 | R | 40.1 | Very low | 40.5 | Very low | 224 Ų | 224 | 148.5 Ų | 148.5 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -159 | 118.5 | 142 | -120.6 | -179.8 | -165.1 | 96.5 | 0.9 | 112.4 | ||||
| 494 | T | 37.7 | Very low | 40.4 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -38.8 | 138.4 | 153.5 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 495 | D | 45.9 | Very low | 40 | Very low | 163 Ų | 163 | 146 Ų | 146 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -157.3 | 128.1 | 137.5 | -89.4 | -43.8 | 0 | 0 | 0 | 111.9 | ||||
| 496 | D | 37.7 | Very low | 40.4 | Very low | 149 Ų | 149 | 141 Ų | 141 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -76.7 | 139.6 | 179.6 | -135.3 | -51.2 | 0 | 0 | 0 | 110.6 | ||||
| 497 | C | 39.8 | Very low | 39.9 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | -170.5 | 101.8 | 147.5 | -108.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 498 | G | 36.3 | Very low | 40.1 | Very low | 68 Ų | 68 | 148 Ų | 148 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -77.5 | 160.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 499 | S | 39.3 | Very low | 40.6 | Very low | 107 Ų | 107 | 151 Ų | 151 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -172.1 | 111.5 | 134 | -157 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 500 | L | 36.9 | Very low | 40.8 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | 28.5 | 128.2 | 130.5 | -73.1 | 146.7 | 0 | 0 | 0 | 120.4 | ||||
| 501 | C | 40.6 | Very low | 40.7 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | trans | -134.3 | 112.1 | 144.7 | -72.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 502 | N | 36.4 | Very low | 40.6 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | -68.9 | 156.7 | -179.6 | -70.8 | -44.4 | 0 | 0 | 0 | 113.8 | ||||
| 503 | K | 50 | Low | 41.1 | Very low | 215 Ų | 215 | 139.1 Ų | 139.1 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | trans | -142.7 | 116.5 | 143.8 | -123.9 | 160.2 | 173.6 | 166.4 | 0 | 112.2 | ||||
| 504 | T | 41 | Very low | 40.9 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | trans | -76 | 133.7 | -171.5 | 35.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 505 | D | 40.9 | Very low | 40.7 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | 97.5 | 142.7 | 102.7 | -148.8 | 7.3 | 0 | 0 | 0 | 122.6 | |||||
| 506 | T | 41.5 | Very low | 40.4 | Very low | 97 Ų | 97 | 137 Ų | 137 | 60% | 0.595 | 79% | 0.786 | S | S | * | * | trans | 93.3 | 110.1 | 146 | 32.5 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 507 | R | 42 | Very low | 40.4 | Very low | 236 Ų | 236 | 138.6 Ų | 138.6 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | 107 | 105.5 | 128.8 | -71.8 | 176.4 | -158 | -122 | 5.5 | 121.2 | |||||
| 508 | R | 42.3 | Very low | 40.3 | Very low | 227 Ų | 227 | 136.8 Ų | 136.8 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -68.2 | -174.6 | 149.6 | -109.9 | -177.1 | 175.1 | -109.9 | -1.6 | 111.5 | ||||
| 509 | P | 50 | Low | 40.3 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | cis | -142.6 | 176.4 | 15.8 | 33.6 | -10.1 | 0 | 0 | 0 | 117.3 | ||||
| 510 | G | 42 | Very low | 40.2 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 173 | 89.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 511 | C | 38.8 | Very low | 40.7 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -26.3 | 164.9 | 162.7 | -57.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 512 | S | 39 | Very low | 40.7 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | cis | 177.7 | 150.5 | -4.9 | -93.5 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 513 | S | 44.3 | Very low | 40.9 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | 166.9 | 148.1 | 124.3 | -73 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 514 | R | 36.3 | Very low | 40.5 | Very low | 236 Ų | 236 | 139.5 Ų | 139.5 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | -94.8 | 165.8 | -159 | -81.6 | 153.8 | 59.8 | -154 | 2.1 | 114.2 | ||||
| 515 | S | 34.2 | Very low | 40.4 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -38.4 | 145.3 | 160.3 | 57.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 516 | S | 39.2 | Very low | 40.6 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 176.5 | 119.5 | 133.4 | 177.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 517 | F | 37.2 | Very low | 40.7 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | trans | 41 | 125.8 | 131 | -121.9 | -116.1 | 0 | 0 | 0 | 123.2 | ||||
| 518 | T | 37.7 | Very low | 40.8 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 56% | 0.564 | 77% | 0.77 | S | S | * | * | trans | 53.9 | 117.7 | 141.1 | 55.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 519 | D | 37.7 | Very low | 40.7 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | 174.1 | 141.6 | 91.2 | -92.1 | -39.7 | 0 | 0 | 0 | 112.1 | |||||
| 520 | H | 37.2 | Very low | 40.3 | Very low | 189 Ų | 189 | 139.9 Ų | 139.9 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -79.4 | -172.9 | 170.6 | -87.2 | -73.9 | 0 | 0 | 0 | 110.9 | ||||
| 521 | P | 47.4 | Very low | 40.1 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | cis | -143.5 | -165.7 | 8.1 | 27 | 0.6 | 0 | 0 | 0 | 116.2 | ||||
| 522 | T | 39.7 | Very low | 40.3 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 105.3 | 100.7 | 156 | 64.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 523 | S | 40.2 | Very low | 40.3 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | 72.8 | 128.9 | 90 | -72 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 524 | E | 41 | Very low | 40 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | cis | -174.1 | 149.7 | 32.8 | -139.7 | 179.6 | -154.2 | 0 | 0 | 109.2 | ||||
| 525 | K | 39.8 | Very low | 40 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | 88.7 | 123.9 | 134.2 | -125.7 | -171.9 | 168 | 174.5 | 0 | 121.6 | ||||
| 526 | I | 44.4 | Very low | 40.2 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 57% | 0.574 | 78% | 0.78 | S | S | * | * | trans | 114.9 | 115.8 | 134.7 | -55.9 | -175.6 | 0 | 0 | 0 | 119.3 | ||||
| 527 | E | 44.1 | Very low | 40 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | 67.7 | 113 | 146.9 | -67.5 | 155.4 | -161.4 | 0 | 0 | 120.4 | ||||
| 528 | E | 43.4 | Very low | 40.1 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | 78.9 | 103.5 | 83.3 | -166.8 | 178.7 | -169.7 | 0 | 0 | 112.6 | |||||
| 529 | E | 40.6 | Very low | 40.3 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | 173.6 | 171.4 | 121.6 | -127 | -169.4 | 124.6 | 0 | 0 | 112.2 | |||||
| 530 | V | 41.9 | Very low | 40.4 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -110.8 | 144.5 | -143.8 | 166.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 531 | A | 38 | Very low | 40.8 | Very low | 85 Ų | 85 | 141.8 Ų | 141.8 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | trans | 63.4 | 123.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 532 | S | 43 | Very low | 40.3 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | -163.4 | 125.8 | 111.1 | -80.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 533 | Q | 39.4 | Very low | 40 | Very low | 198 Ų | 198 | 143 Ų | 143 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -80.2 | 120.3 | 171.2 | -81.6 | 178.3 | -43.9 | 0 | 0 | 109.4 | ||||
| 534 | D | 37.1 | Very low | 39.9 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 94% | 0.941 | 79% | 0.786 | S | S | * | * | trans | -134.6 | 124.6 | 154.9 | -110.6 | -30 | 0 | 0 | 0 | 106.9 | ||||
| 535 | G | 38 | Very low | 39.5 | Very low | 71 Ų | 71 | 144.5 Ų | 144.5 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -169 | 66.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 536 | S | 37.7 | Very low | 39.3 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | 20.8 | 113.4 | 142.7 | -163 | 0 | 0 | 0 | 0 | 118.3 | D538 | S536-D538 PolarHBondContact O-N 2.91Š| ||
| 537 | F | 35.6 | Very low | 38.9 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -92.1 | 91.2 | 165.8 | -167.3 | -92.4 | 0 | 0 | 0 | 109.6 | ||||
| 538 | D | 39.1 | Very low | 38.7 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 59% | 0.594 | 79% | 0.794 | S | S | * | * | trans | -136.1 | 110.2 | 160.6 | -117.1 | -40.6 | 0 | 0 | 0 | 109.3 | S536 | S536-D538 PolarHBondContact O-N 2.91Š| ||
| 539 | S | 42.1 | Very low | 38.5 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -162.6 | 94.7 | 160.9 | -75.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 540 | R | 39.4 | Very low | 38.5 | Very low | 235 Ų | 235 | 140.9 Ų | 140.9 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -58.3 | 168.8 | 149.3 | -93.4 | 178 | 156.2 | -175 | -5.4 | 109.7 | ||||
| 541 | P | 44.7 | Very low | 38.3 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | cis | -147.3 | 166.5 | 35.6 | 38.5 | -16.7 | 0 | 0 | 0 | 116.2 | ||||
| 542 | N | 38.1 | Very low | 38.5 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | 173.8 | 145.9 | 105.8 | -144.9 | 1.1 | 0 | 0 | 0 | 111.5 | |||||
| 543 | S | 32.5 | Very low | 38.4 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -85.4 | 129.8 | -172.3 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 544 | A | 38.3 | Very low | 38.4 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -153.3 | 96.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 545 | Y | 32.5 | Very low | 38.7 | Very low | 207 Ų | 207 | 143.9 Ų | 143.9 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -73.5 | 123.9 | 168.6 | -85.3 | -97 | 0 | 0 | 0 | 108.7 | ||||
| 546 | E | 35.9 | Very low | 38.8 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -138.9 | 89.1 | 155.5 | -139.9 | -179.6 | 170.4 | 0 | 0 | 107.9 | Y548 | E546-Y548 HydrophobicContact CG-CE2 4.32Å; E546-Y548 PolarHBondContact O-N 3.37Å | ||
| 547 | C | 36.2 | Very low | 39 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -80.7 | 105.8 | 172.5 | -71.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 548 | Y | 39.4 | Very low | 39.3 | Very low | 187 Ų | 187 | 146 Ų | 146 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -80.8 | 128.4 | 162.9 | -88.2 | -91.9 | 0 | 0 | 0 | 109.9 | E546 H550 | E546-Y548 HydrophobicContact CG-CE2 4.32Å; E546-Y548 PolarHBondContact O-N 3.37Å; Y548-H550 PolarHBondContact O-N 2.82Å | ||
| 549 | P | 38.5 | Very low | 39.3 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | trans | -84.2 | 107.2 | 177.4 | 32.5 | -28.2 | 0 | 0 | 0 | 109 | N551 | P549-N551 VanDerWaalsContact C-N 3.31Å; P549-N551 PolarHBondContact O-N 2.73Å | ||
| 550 | H | 41.9 | Very low | 39.3 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -76 | 90 | 163.2 | -109.3 | -68.7 | 0 | 0 | 0 | 108.8 | Y548 L552 | Y548-H550 PolarHBondContact O-N 2.82Å; H550-L552 PolarHBondContact O-N 2.95Å | ||
| 551 | N | 36.6 | Very low | 39.5 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -69 | 103.5 | 159.7 | -82.6 | -74.7 | 0 | 0 | 0 | 108.2 | P549 | P549-N551 VanDerWaalsContact C-N 3.31Å; P549-N551 PolarHBondContact O-N 2.73Å | ||
| 552 | L | 42.5 | Very low | 39.6 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 126.3 | 158.9 | -118.1 | 77 | 0 | 0 | 0 | 107.9 | H550 R554 | H550-L552 PolarHBondContact O-N 2.95Å; L552-R554 PolarHBondContact O-N 2.7Å |
| 553 | P | 41.5 | Very low | 39.7 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71 | 125.4 | 179.8 | 28.5 | -31.8 | 0 | 0 | 0 | 110.1 | T555 | P553-T555 PolarHBondContact O-N 2.7Š|
| 554 | R | 39 | Very low | 40.4 | Very low | 238 Ų | 238 | 147.7 Ų | 147.7 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56 | 121.2 | 163 | -96.1 | -176.8 | -176.1 | -171 | 1.2 | 108.7 | L552 | L552-R554 PolarHBondContact O-N 2.7Š|
| 555 | T | 43.6 | Very low | 40.7 | Very low | 126 Ų | 126 | 155 Ų | 155 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58 | 125.1 | 161.4 | 49.2 | 0 | 0 | 0 | 0 | 109.3 | P553 Q557 | P553-T555 PolarHBondContact O-N 2.7Å; T555-Q557 PolarHBondContact O-N 2.72Å |
| 556 | P | 40.6 | Very low | 41.1 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78 | 122.4 | 172 | 30.2 | -28.2 | 0 | 0 | 0 | 108.6 | S558 | P556-S558 PolarHBondContact O-N 3.48Š|
| 557 | Q | 41.2 | Very low | 41.3 | Very low | 194 Ų | 194 | 152.1 Ų | 152.1 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -65.1 | 115.1 | 161.7 | -77.9 | -157.4 | -12.8 | 0 | 0 | 108.4 | T555 S559 | T555-Q557 PolarHBondContact O-N 2.72Å; Q557-S559 PolarHBondContact O-N 3.01Å | ||
| 558 | S | 41.2 | Very low | 41.6 | Very low | 103 Ų | 103 | 154.2 Ų | 154.2 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -78.2 | 93.4 | 169.2 | 59.8 | 0 | 0 | 0 | 0 | 109.4 | P556 V560 | P556-S558 PolarHBondContact O-N 3.48Å; S558-V560 PolarHBondContact O-N 3.21Å | ||
| 559 | S | 39.1 | Very low | 41.8 | Very low | 99 Ų | 99 | 152.3 Ų | 152.3 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | -79.2 | 98.6 | 156.6 | 171.2 | 0 | 0 | 0 | 0 | 107.5 | Q557 F561 | Q557-S559 PolarHBondContact O-N 3.01Å; S559-F561 PolarHBondContact O-N 3.21Å | ||
| 560 | V | 44 | Very low | 42 | Very low | 107 Ų | 107 | 155.5 Ų | 155.5 | 65% | 0.648 | 81% | 0.81 | S | S | * | * | trans | -90.6 | 95.2 | 173.8 | -159.6 | 0 | 0 | 0 | 0 | 107.8 | S558 L562 | S558-V560 PolarHBondContact O-N 3.21Å; V560-L562 HydrophobicContact CG1-CD1 3.92Å | ||
| 561 | F | 42.3 | Very low | 42 | Very low | 184 Ų | 184 | 154 Ų | 154 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | trans | -82 | 106.9 | 160.2 | -108 | -90.2 | 0 | 0 | 0 | 107.3 | S559 | S559-F561 PolarHBondContact O-N 3.21Š| ||
| 562 | L | 47.8 | Very low | 42.4 | Very low | 156 Ų | 156 | 154.9 Ų | 154.9 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | -93.7 | 102 | 166.5 | -104.7 | 133.7 | 0 | 0 | 0 | 107.9 | V560 | V560-L562 HydrophobicContact CG1-CD1 3.92Š| ||
| 563 | Q | 39 | Very low | 42.4 | Very low | 158 Ų | 158 | 155.5 Ų | 155.5 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | -121.6 | 102.6 | 162.5 | -168 | 90.6 | 30.6 | 0 | 0 | 106.6 | ||||
| 564 | N | 47.1 | Very low | 42.4 | Very low | 161 Ų | 161 | 158.6 Ų | 158.6 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -172.7 | 90.3 | 155.2 | -95.7 | -38.4 | 0 | 0 | 0 | 108.7 | ||||
| 565 | H | 44.4 | Very low | 42.7 | Very low | 255 Ų | 255 | 151.4 Ų | 151.4 | 100% | 1.181 | 81% | 0.812 | S | S | * | * | trans | -153.6 | 0 | 136.3 | -139.7 | -53.8 | 0 | 0 | 0 | 109.9 |
Retrieved 565 of 565 residues in 902.1 ms
(Link to these results)