| 1 | M | 42.7 | Very low | 41.5 | Very low | 226 Ų | 226 | 148.5 Ų | 148.5 | 100% | 1.113 | 80% | 0.803 | S | S | * | * | | | | 0 | 77.8 | 0 | -63.1 | -58.8 | -170.4 | 0 | 0 | 106.6 | | |
| 2 | L | 41.8 | Very low | 41.1 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | | 55.1 | 73.8 | 71.5 | -161.7 | 95.9 | 0 | 0 | 0 | 109.8 | M4 | L2-M4 HydrophobicContact CD2-CE 4.23Å; L2-M4 HydrophobicContact CG-CE 4.26Å |
| 3 | T | 45.3 | Very low | 40.5 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | | | trans | -141.2 | 94.6 | 143.1 | 47.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 4 | M | 42.9 | Very low | 39.9 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 63% | 0.626 | 81% | 0.813 | S | S | * | * | | | | 76 | 97.5 | 126.9 | -54.3 | -51.8 | 131.8 | 0 | 0 | 114.9 | L2 | L2-M4 HydrophobicContact CD2-CE 4.23Å; L2-M4 HydrophobicContact CG-CE 4.26Å |
| 5 | L | 48.6 | Very low | 39.5 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | | | cis | 41.5 | 83.7 | 49.3 | -118.9 | 168.8 | 0 | 0 | 0 | 108.9 | | |
| 6 | L | 38.9 | Very low | 39.2 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | | | trans | 164.9 | 65.3 | 152.5 | -87.7 | 157.3 | 0 | 0 | 0 | 110.6 | | |
| 7 | L | 41.6 | Very low | 39.7 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 97% | 0.969 | 80% | 0.801 | S | S | * | * | | | trans | -135.8 | 59.8 | 136.6 | -77.9 | 179.1 | 0 | 0 | 0 | 106.7 | | |
| 8 | G | 38.5 | Very low | 39.2 | Very low | 53 Ų | 53 | 143.7 Ų | 143.7 | 55% | 0.546 | 80% | 0.802 | S | S | . | * | | | trans | -74.6 | 148.2 | 153.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 9 | W | 34.6 | Very low | 38.9 | Very low | 251 Ų | 251 | 141.1 Ų | 141.1 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | | | trans | 86 | 89.1 | 148.9 | -62.7 | 30.6 | 0 | 0 | 0 | 116.9 | | |
| 10 | T | 42.8 | Very low | 38.6 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | | -152.9 | 101.5 | 117.9 | 47.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 11 | A | 39.1 | Very low | 38.4 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | | 90.9 | 98 | 97.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 12 | L | 36.9 | Very low | 37.7 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | | 50.5 | 105.8 | 91.6 | -100 | 95 | 0 | 0 | 0 | 111.8 | | |
| 13 | L | 33.2 | Very low | 37.3 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | | 163.9 | 145.4 | 111.7 | -90.8 | 144.5 | 0 | 0 | 0 | 111.6 | | |
| 14 | S | 32.3 | Very low | 36.7 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | | | trans | 80.3 | 119.4 | 177.1 | 79.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 15 | G | 32.8 | Very low | 36.2 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | cis | 179.3 | 125.5 | 1.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 16 | L | 35.7 | Very low | 35.4 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -73.7 | 170 | 161.1 | -111.6 | 123.9 | 0 | 0 | 0 | 108 | | |
| 17 | P | 47.8 | Very low | 35.2 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 57% | 0.565 | 78% | 0.782 | S | S | * | * | | | cis | -155 | -168.7 | 8.3 | 45 | -24.5 | 0 | 0 | 0 | 118 | | |
| 18 | H | 30.4 | Very low | 35.2 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | trans | 62.8 | 142.5 | 148 | -66 | 112.7 | 0 | 0 | 0 | 118.3 | | |
| 19 | A | 32.5 | Very low | 35.2 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | cis | -173.4 | 169 | 24 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 20 | A | 33.6 | Very low | 35.1 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | cis | -169.1 | 157.3 | -4.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 21 | S | 33.5 | Very low | 34.7 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | 42.2 | 133.6 | 138.8 | 63.9 | 0 | 0 | 0 | 0 | 120 | | |
| 22 | S | 29.4 | Very low | 34.5 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | | | | 177.3 | 143.4 | 54.5 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 23 | L | 33.3 | Very low | 34.3 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | | 80.3 | 107.6 | 130 | -71.2 | 166 | 0 | 0 | 0 | 122.8 | | |
| 24 | T | 31.8 | Very low | 34.4 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | | | | 73.7 | 110.7 | 120.8 | 53.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 25 | S | 33.9 | Very low | 34.7 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | | 8.4 | 134 | 128.1 | 69.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 26 | R | 30.4 | Very low | 35.3 | Very low | 234 Ų | 234 | 142.7 Ų | 142.7 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | | | | 156 | 141.6 | 111.1 | -88.9 | -179 | -170.1 | -161.7 | 1.7 | 110.5 | | |
| 27 | F | 35 | Very low | 35.5 | Very low | 204 Ų | 204 | 139.9 Ų | 139.9 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | | | trans | -50.6 | 154.3 | 164.8 | -76.7 | -90.9 | 0 | 0 | 0 | 112 | | |
| 28 | P | 41 | Very low | 35.2 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | | -143.3 | 151.6 | 106.4 | 34.2 | -18 | 0 | 0 | 0 | 115.6 | | |
| 29 | V | 39.3 | Very low | 35.7 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | | | trans | -62.4 | 134.6 | 155.4 | 167.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 30 | S | 32.2 | Very low | 35.9 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -146.1 | 139 | 158.2 | 70.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 31 | R | 35 | Very low | 36.5 | Very low | 247 Ų | 247 | 153.3 Ų | 153.3 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | | | trans | -75.4 | 143.3 | 176.6 | -74.7 | 174.6 | -178.4 | 175.4 | 0.1 | 111.1 | | |
| 32 | G | 34 | Very low | 37.2 | Very low | 72 Ų | 72 | 154.1 Ų | 154.1 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | trans | 97.5 | 109.2 | 132.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 33 | S | 33.2 | Very low | 37.9 | Very low | 120 Ų | 120 | 158.3 Ų | 158.3 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | trans | 172.7 | 107.5 | 137.4 | 35.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 34 | R | 36.1 | Very low | 39 | Very low | 233 Ų | 233 | 158.1 Ų | 158.1 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | | 78.2 | 86.6 | 98.9 | -163.5 | 179.3 | -70.8 | -139 | 1.4 | 114 | | |
| 35 | W | 37.5 | Very low | 40 | Very low | 239 Ų | 239 | 160.1 Ų | 160.1 | 91% | 0.905 | 82% | 0.82 | S | S | * | * | | | trans | 26.8 | 161.7 | 151.7 | -54.1 | 83.8 | 0 | 0 | 0 | 122.3 | | |
| 36 | P | 45.9 | Very low | 41.2 | Very low | 103 Ų | 103 | 160.8 Ų | 160.8 | 67% | 0.669 | 82% | 0.822 | S | S | * | * | | | cis | -130.1 | 145 | -45.3 | 35.4 | -18.8 | 0 | 0 | 0 | 112.5 | | |
| 37 | A | 38.7 | Very low | 42.4 | Very low | 108 Ų | 108 | 155.6 Ų | 155.6 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | -93.3 | 114.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 38 | R | 42.3 | Very low | 43.3 | Very low | 230 Ų | 230 | 153.8 Ų | 153.8 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | | | trans | -62.2 | 137.4 | 178.9 | -64.6 | -179.3 | 172.5 | -164.4 | -3 | 110.7 | C40 | R38-C40 PolarHBondContact O-N 3.36Š|
| 39 | K | 40.8 | Very low | 43.8 | Very low | 199 Ų | 199 | 153.4 Ų | 153.4 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | | | trans | -60.6 | 123.7 | 167.1 | -74.6 | 177.9 | 175.9 | 179.9 | 0 | 109.1 | E41 | K39-E41 PolarHBondContact O-N 3.31Š|
| 40 | C | 37.9 | Very low | 44.3 | Very low | 124 Ų | 124 | 152 Ų | 152 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -80.6 | 102.9 | 166 | -67.3 | 0 | 0 | 0 | 0 | 108.3 | R38 | R38-C40 PolarHBondContact O-N 3.36Š|
| 41 | E | 44.3 | Very low | 45 | Very low | 169 Ų | 169 | 151.8 Ų | 151.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -85.2 | 119.7 | 159.4 | -83.5 | 177.9 | 169.4 | 0 | 0 | 108.1 | K39 F43 | K39-E41 PolarHBondContact O-N 3.31Å; E41-F43 PolarHBondContact O-N 3.21Å |
| 42 | V | 49.6 | Very low | 45.6 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | | | trans | -76.3 | 106.5 | 173.9 | 177.8 | 0 | 0 | 0 | 0 | 107.5 | I44 | V42-I44 HydrophobicContact CG1-CG1 4.21Å; V42-I44 PolarHBondContact O-N 3.23Å |
| 43 | F | 43.8 | Very low | 46.5 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 82% | 0.82 | 81% | 0.805 | S | S | * | * | | | trans | -74.2 | 103.9 | 171.9 | -121 | -96.1 | 0 | 0 | 0 | 108.9 | E41 | E41-F43 PolarHBondContact O-N 3.21Š|
| 44 | I | 57.4 | Low | 47.1 | Very low | 146 Ų | 146 | 153.3 Ų | 153.3 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | trans | -85.3 | 115.4 | 169.5 | -58.4 | 175.4 | 0 | 0 | 0 | 107 | V42 | V42-I44 HydrophobicContact CG1-CG1 4.21Å; V42-I44 PolarHBondContact O-N 3.23Å |
| 45 | L | 52 | Low | 47.6 | Very low | 152 Ų | 152 | 147 Ų | 147 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 132.7 | 172.4 | -84 | 143.6 | 0 | 0 | 0 | 109.7 | | |
| 46 | P | 58.4 | Low | 48.2 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 146.7 | 175.6 | 27.1 | -32.3 | 0 | 0 | 0 | 110.6 | | |
| 47 | P | 55.7 | Low | 48.2 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 140.9 | -179.5 | 25.8 | -32.6 | 0 | 0 | 0 | 111.1 | | |
| 48 | L | 53.8 | Low | 48.3 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 136.9 | 174.3 | -79.9 | 148 | 0 | 0 | 0 | 110.4 | | |
| 49 | P | 51.1 | Low | 48.4 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 145.1 | 178.5 | 26.4 | -32.1 | 0 | 0 | 0 | 110.8 | | |
| 50 | P | 50.7 | Low | 48.6 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -63 | 150.7 | 176 | 26.3 | -32.9 | 0 | 0 | 0 | 110.9 | M52 | P50-M52 PolarHBondContact O-N 3.37Å; P50-M52 VanDerWaalsContact O-N 3.14Å |
| 51 | P | 46.8 | Very low | 48.7 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 119.2 | 179.1 | 25.1 | -32.2 | 0 | 0 | 0 | 109.9 | F53 | P51-F53 PolarHBondContact O-N 3.45Š|
| 52 | M | 47.3 | Very low | 48.5 | Very low | 185 Ų | 185 | 143 Ų | 143 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | | | trans | -73.5 | 104.4 | 173.1 | -66.7 | -151.5 | -55.7 | 0 | 0 | 109.1 | P50 | P50-M52 PolarHBondContact O-N 3.37Å; P50-M52 VanDerWaalsContact O-N 3.14Å |
| 53 | F | 53.7 | Low | 48 | Very low | 178 Ų | 178 | 145 Ų | 145 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 135.2 | 156.9 | -70.4 | -81.1 | 0 | 0 | 0 | 108.4 | P51 | P51-F53 PolarHBondContact O-N 3.45Š|
| 54 | P | 45.4 | Very low | 47.8 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 140.9 | 177.3 | 24.7 | -31.7 | 0 | 0 | 0 | 109.9 | I56 | P54-I56 PolarHBondContact O-N 3.39Š|
| 55 | P | 47.6 | Very low | 47.1 | Very low | 101 Ų | 101 | 139 Ų | 139 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 130.5 | 175.6 | 26.2 | -31.9 | 0 | 0 | 0 | 109.3 | K57 | P55-K57 PolarHBondContact O-N 3.24Š|
| 56 | I | 49 | Very low | 46.6 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 82% | 0.821 | 75% | 0.747 | S | S | * | * | | | trans | -61 | 105.3 | 171.1 | -61.6 | 165.3 | 0 | 0 | 0 | 107 | P54 | P54-I56 PolarHBondContact O-N 3.39Š|
| 57 | K | 46.4 | Very low | 45.9 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | -79.6 | -12.7 | -172.6 | -78.7 | -172.2 | 178.8 | -178.4 | 0 | 114.6 | P55 | P55-K57 PolarHBondContact O-N 3.24Š|
| 58 | H | 40.8 | Very low | 45.4 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | | | trans | -139.4 | 113.9 | 175.9 | -66.6 | -64.8 | 0 | 0 | 0 | 111.3 | A60 | H58-A60 PolarHBondContact O-N 3.27Š|
| 59 | K | 43 | Very low | 45.1 | Very low | 208 Ų | 208 | 139.6 Ų | 139.6 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 7.7 | 169.1 | -158.1 | 178.6 | 179.5 | -177.7 | 0 | 112.7 | | |
| 60 | A | 45.2 | Very low | 44.9 | Very low | 67 Ų | 67 | 138.6 Ų | 138.6 | 55% | 0.554 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -10.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | H58 | H58-A60 PolarHBondContact O-N 3.27Š|
| 61 | E | 40.9 | Very low | 44.9 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 2.6 | 178.2 | -81.9 | -178.3 | 157.6 | 0 | 0 | 114.2 | M63 V64 | E61-M63 VanDerWaalsContact C-N 3.32Å; E61-V64 WeakPolarHBondContact O-CG2 3.31Å |
| 62 | L | 40.1 | Very low | 45.2 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 90% | 0.895 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 11.6 | 163.6 | -127.5 | 95.1 | 0 | 0 | 0 | 112.7 | | |
| 63 | M | 39.9 | Very low | 45.4 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 82% | 0.823 | 70% | 0.695 | S | S | * | * | | | trans | -97.7 | 57.1 | 156.1 | -62 | -178.1 | 96.8 | 0 | 0 | 106.9 | E61 D65 | E61-M63 VanDerWaalsContact C-N 3.32Å; M63-D65 PolarHBondContact O-N 3.12Å |
| 64 | V | 38.8 | Very low | 45.5 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 65% | 0.648 | 70% | 0.7 | S | S | * | * | | | trans | -60 | 101.6 | 160.3 | 177 | 0 | 0 | 0 | 0 | 105.2 | E61 M66 | E61-V64 WeakPolarHBondContact O-CG2 3.31Å; V64-M66 PolarHBondContact O-N 3.05Å |
| 65 | D | 41.7 | Very low | 45.9 | Very low | 101 Ų | 101 | 126 Ų | 126 | 54% | 0.54 | 68% | 0.683 | S | S | . | * | | | trans | 44.8 | 53.5 | 133.1 | -148.4 | 3.4 | 0 | 0 | 0 | 115.5 | M63 T67 | M63-D65 PolarHBondContact O-N 3.12Å; D65-T67 VanDerWaalsContact C-N 3.34Å |
| 66 | M | 42.5 | Very low | 46 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 72% | 0.719 | 69% | 0.691 | S | S | * | * | | | trans | -93.7 | 5 | 171.6 | -78.8 | -174.6 | 165.2 | 0 | 0 | 112.5 | V64 V228 | V64-M66 PolarHBondContact O-N 3.05Å; M66-V228 HydrophobicContact SD-CG1 4.49Å |
| 67 | T | 44.1 | Very low | 46 | Very low | 132 Ų | 132 | 132 Ų | 132 | 81% | 0.81 | 70% | 0.695 | S | S | * | * | | | trans | -89.5 | -5.4 | 173.9 | 42.4 | 0 | 0 | 0 | 0 | 113.7 | D65 H69 | D65-T67 VanDerWaalsContact C-N 3.34Å; T67-H69 PolarHBondContact O-N 3.16Å; T67-H69 VanDerWaalsContact O-N 3.11Å |
| 68 | E | 45.6 | Very low | 46.1 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 65% | 0.654 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -81.7 | 88.6 | 164.9 | -77 | -160 | 157 | 0 | 0 | 110.5 | | |
| 69 | H | 46.9 | Very low | 46 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | | | trans | 57.4 | 71.2 | 148.9 | -58.1 | 75.9 | 0 | 0 | 0 | 116.1 | T67 T71 | T67-H69 PolarHBondContact O-N 3.16Å; T67-H69 VanDerWaalsContact O-N 3.11Å; H69-T71 PolarHBondContact O-N 3.41Å |
| 70 | V | 46.3 | Very low | 46.2 | Very low | 91 Ų | 91 | 126 Ų | 126 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | | | trans | -75.5 | 58.4 | 151.8 | -167.5 | 0 | 0 | 0 | 0 | 108.8 | G72 | V70-G72 PolarHBondContact O-N 3.09Š|
| 71 | T | 50 | Low | 46.1 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | | | trans | -77.1 | 110.4 | 162.1 | -43.9 | 0 | 0 | 0 | 0 | 104.8 | H69 | H69-T71 PolarHBondContact O-N 3.41Š|
| 72 | G | 54.4 | Low | 46.1 | Very low | 22 Ų | 22 | 124 Ų | 124 | 23% | 0.227 | 68% | 0.677 | C | S | . | * | P | Polyproline II helix | trans | -50.9 | 153.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V70 T74 | V70-G72 PolarHBondContact O-N 3.09Å; G72-T74 PolarHBondContact O-N 3.18Å |
| 73 | P | 51.1 | Low | 46.5 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 132.5 | -178.5 | 22.8 | -33.4 | 0 | 0 | 0 | 109.8 | G75 | P73-G75 PolarHBondContact O-N 3.14Å; P73-G75 VanDerWaalsContact O-N 3.1Å |
| 74 | T | 55.5 | Low | 46.7 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 87% | 0.871 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 121.5 | 177 | -52.6 | 0 | 0 | 0 | 0 | 109 | G72 | G72-T74 PolarHBondContact O-N 3.18Š|
| 75 | G | 53.2 | Low | 46.9 | Very low | 34 Ų | 34 | 120.5 Ų | 120.5 | 35% | 0.351 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -51.5 | 144.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P73 K77 | P73-G75 PolarHBondContact O-N 3.14Å; P73-G75 VanDerWaalsContact O-N 3.1Å; G75-K77 PolarHBondContact O-N 3.16Å |
| 76 | E | 49.9 | Very low | 47.4 | Very low | 179 Ų | 179 | 125.5 Ų | 125.5 | 84% | 0.836 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 135.8 | -175.9 | -66.7 | -172.3 | 160.6 | 0 | 0 | 111.4 | G78 | E76-G78 PolarHBondContact O-N 3.36Å; E76-G78 VanDerWaalsContact O-N 3.15Å |
| 77 | K | 50.1 | Low | 47.5 | Very low | 207 Ų | 207 | 120.1 Ų | 120.1 | 90% | 0.9 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 119.4 | 178.5 | -169 | 175.5 | -175.3 | 175.6 | 0 | 108.9 | G75 | G75-K77 PolarHBondContact O-N 3.16Š|
| 78 | G | 47.7 | Very low | 47.7 | Very low | 36 Ų | 36 | 122.7 Ų | 122.7 | 37% | 0.371 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -51 | 144.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E76 | E76-G78 PolarHBondContact O-N 3.36Å; E76-G78 VanDerWaalsContact O-N 3.15Å |
| 79 | C | 39.4 | Very low | 48.1 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 78% | 0.777 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 147.2 | -176.6 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | G81 | C79-G81 PolarHBondContact O-N 3.38Š|
| 80 | R | 45.7 | Very low | 48 | Very low | 246 Ų | 246 | 116.6 Ų | 116.6 | 93% | 0.928 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 129.6 | 174.1 | -172.9 | 176.8 | -178.1 | 178.4 | 1.7 | 109.8 | | |
| 81 | G | 43.2 | Very low | 48 | Very low | 33 Ų | 33 | 118.3 Ų | 118.3 | 34% | 0.34 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -56 | 150.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C79 | C79-G81 PolarHBondContact O-N 3.38Š|
| 82 | L | 42.6 | Very low | 48.2 | Very low | 159 Ų | 159 | 119.6 Ų | 119.6 | 83% | 0.832 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 146.3 | -178.5 | -64.9 | 172.6 | 0 | 0 | 0 | 111.6 | G84 | L82-G84 PolarHBondContact O-N 3.48Š|
| 83 | R | 48.3 | Very low | 47.9 | Very low | 251 Ų | 251 | 119.8 Ų | 119.8 | 95% | 0.947 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 131.7 | 175 | -172.2 | 176.9 | -178.4 | -178.3 | 1.4 | 109.5 | | |
| 84 | G | 43.5 | Very low | 47.9 | Very low | 33 Ų | 33 | 119.1 Ų | 119.1 | 34% | 0.34 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 149.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L82 | L82-G84 PolarHBondContact O-N 3.48Š|
| 85 | A | 43.7 | Very low | 47.7 | Very low | 86 Ų | 86 | 122.3 Ų | 122.3 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 149.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 86 | K | 51.8 | Low | 47.4 | Very low | 207 Ų | 207 | 121.8 Ų | 121.8 | 90% | 0.9 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 135 | 176.2 | -171 | 176.1 | 179.4 | -179.9 | 0 | 110.1 | | |
| 87 | G | 43.8 | Very low | 47.4 | Very low | 33 Ų | 33 | 121 Ų | 121 | 34% | 0.34 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 149.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 88 | K | 48.3 | Very low | 47.5 | Very low | 185 Ų | 185 | 117.1 Ų | 117.1 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 149.8 | 179.7 | -65.2 | -177.9 | -179.9 | -178.5 | 0 | 110.9 | | |
| 89 | P | 53.4 | Low | 47.5 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 81% | 0.805 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 146.1 | 172.1 | -23.4 | 33.8 | 0 | 0 | 0 | 112.4 | | |
| 90 | G | 45.2 | Very low | 48 | Very low | 37 Ų | 37 | 116 Ų | 116 | 38% | 0.381 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 150.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E206 | G90-E206 VanDerWaalsContact CA-O 3.24Å; G90-E206 WeakPolarHBondContact CA-O 3.34Å |
| 91 | V | 46.8 | Very low | 48.5 | Very low | 127 Ų | 127 | 113.4 Ų | 113.4 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 131.3 | -177.7 | -164.6 | 0 | 0 | 0 | 0 | 109.8 | G93 G205 | V91-G93 PolarHBondContact O-N 2.97Å; V91-G205 WeakPolarHBondContact O-CA 3.33Å |
| 92 | T | 55.3 | Low | 48.7 | Very low | 136 Ų | 136 | 113.8 Ų | 113.8 | 83% | 0.834 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 130.7 | 177.8 | -48.9 | 0 | 0 | 0 | 0 | 111 | | |
| 93 | G | 47.7 | Very low | 49.2 | Very low | 26 Ų | 26 | 111.2 Ų | 111.2 | 27% | 0.268 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 161.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V91 L203 | V91-G93 PolarHBondContact O-N 2.97Å; G93-L203 WeakPolarHBondContact CA-O 3.35Å |
| 94 | P | 50.2 | Low | 49.7 | Very low | 105 Ų | 105 | 107.5 Ų | 107.5 | 68% | 0.682 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 145.4 | -176.3 | 27.1 | -34.4 | 0 | 0 | 0 | 112 | G96 G202 | P94-G96 PolarHBondContact O-N 3.04Å; P94-G202 WeakPolarHBondContact O-CA 3.46Å |
| 95 | K | 51.3 | Low | 50 | Low | 209 Ų | 209 | 108.9 Ų | 108.9 | 91% | 0.909 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 135.5 | 176.4 | -175.4 | -179.9 | 177.1 | -176.4 | 0 | 110.4 | | |
| 96 | G | 46.5 | Very low | 50.4 | Low | 24 Ų | 24 | 114.3 Ų | 114.3 | 25% | 0.247 | 66% | 0.661 | C | S | . | * | P | Polyproline II helix | trans | -55.4 | 147 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | P94 S200 | P94-G96 PolarHBondContact O-N 3.04Å; G96-S200 WeakPolarHBondContact CA-O 3.14Å |
| 97 | E | 51.6 | Low | 50.7 | Low | 161 Ų | 161 | 110.5 Ų | 110.5 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 147.6 | 177.2 | -64.7 | -173 | 166.1 | 0 | 0 | 112.2 | G199 | E97-G199 WeakPolarHBondContact O-CA 3.45Š|
| 98 | P | 51.7 | Low | 51 | Low | 126 Ų | 126 | 112.5 Ų | 112.5 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -58 | 140.9 | 173.2 | -23.2 | 34 | 0 | 0 | 0 | 112.7 | | |
| 99 | G | 46.6 | Very low | 51.1 | Low | 36 Ų | 36 | 112.9 Ų | 112.9 | 37% | 0.371 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -64 | 152.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | L197 | G99-L197 WeakPolarHBondContact CA-O 3.41Š|
| 100 | P | 51.4 | Low | 51.3 | Low | 91 Ų | 91 | 116.8 Ų | 116.8 | 59% | 0.591 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 146.7 | 178.2 | 27 | -34 | 0 | 0 | 0 | 111.8 | | |
| 101 | Q | 56.1 | Low | 51.5 | Low | 193 Ų | 193 | 118.2 Ų | 118.2 | 90% | 0.902 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 134.6 | 176.6 | -173.4 | 175.7 | 6.7 | 0 | 0 | 110.8 | | |
| 102 | G | 47.8 | Very low | 51.6 | Low | 41 Ų | 41 | 121.3 Ų | 121.3 | 42% | 0.423 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 154.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 103 | P | 51.6 | Low | 51.5 | Low | 104 Ų | 104 | 124.6 Ų | 124.6 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -67 | 147.3 | -177.9 | 27.6 | -34.3 | 0 | 0 | 0 | 112.4 | | |
| 104 | L | 60.1 | Low | 51.3 | Low | 173 Ų | 173 | 126.6 Ų | 126.6 | 91% | 0.906 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 133.4 | 175.4 | -174.1 | 65.9 | 0 | 0 | 0 | 110.9 | | |
| 105 | G | 48.3 | Very low | 51.1 | Low | 62 Ų | 62 | 130.2 Ų | 130.2 | 64% | 0.639 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -61 | 147.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 106 | K | 53 | Low | 50.9 | Low | 200 Ų | 200 | 131.6 Ų | 131.6 | 87% | 0.87 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 143.6 | 179.9 | -64.2 | -175.1 | -179.3 | -176.5 | 0 | 111.1 | | |
| 107 | P | 59.1 | Low | 50.7 | Low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 140.9 | 170.8 | -24.2 | 33.9 | 0 | 0 | 0 | 111.9 | | |
| 108 | G | 49.9 | Very low | 50.3 | Low | 76 Ų | 76 | 137.5 Ų | 137.5 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 146.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 109 | Q | 50.2 | Low | 50 | Low | 192 Ų | 192 | 142.7 Ų | 142.7 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 138.9 | 177.5 | -74.8 | -175.1 | 10.3 | 0 | 0 | 111.1 | G111 | Q109-G111 PolarHBondContact O-N 3.26Š|
| 110 | K | 57.1 | Low | 49.9 | Very low | 206 Ų | 206 | 144 Ų | 144 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 126.6 | 173.5 | -174.3 | 177 | -179.5 | 179.1 | 0 | 108.6 | | |
| 111 | G | 49 | Very low | 49.4 | Very low | 67 Ų | 67 | 148 Ų | 148 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 146.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q109 | Q109-G111 PolarHBondContact O-N 3.26Š|
| 112 | E | 49.2 | Very low | 48.9 | Very low | 193 Ų | 193 | 149.2 Ų | 149.2 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 143.8 | 179.9 | -67.5 | -176.3 | 156.1 | 0 | 0 | 111.4 | G114 | E112-G114 PolarHBondContact O-N 3.1Š|
| 113 | K | 53.3 | Low | 48.9 | Very low | 204 Ų | 204 | 150.5 Ų | 150.5 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 123 | 178 | -175.2 | 178.8 | -179.9 | 180 | 0 | 108.2 | | |
| 114 | G | 43.6 | Very low | 48.4 | Very low | 68 Ų | 68 | 153.4 Ų | 153.4 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 144.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E112 | E112-G114 PolarHBondContact O-N 3.1Š|
| 115 | E | 45.8 | Very low | 47.7 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 147.6 | -178.5 | -66.1 | -175.2 | 166 | 0 | 0 | 112 | G117 | E115-G117 PolarHBondContact O-N 3.18Š|
| 116 | R | 47.3 | Very low | 47.4 | Very low | 237 Ų | 237 | 153.8 Ų | 153.8 | 89% | 0.894 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 125.1 | 177.3 | -176.1 | -174.2 | -64.4 | 176 | 0.2 | 108.7 | | |
| 117 | G | 42.8 | Very low | 46.6 | Very low | 65 Ų | 65 | 150.6 Ų | 150.6 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 143.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E115 | E115-G117 PolarHBondContact O-N 3.18Š|
| 118 | W | 42.1 | Very low | 46 | Very low | 245 Ų | 245 | 151.3 Ų | 151.3 | 93% | 0.928 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 140.5 | -177.8 | -65.8 | 85.3 | 0 | 0 | 0 | 111.8 | | |
| 119 | R | 44.7 | Very low | 45.9 | Very low | 234 Ų | 234 | 150.8 Ų | 150.8 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70 | 128.5 | 174.3 | -169.7 | -174.3 | -61.5 | -153.1 | 2.8 | 108.3 | | |
| 120 | G | 45.4 | Very low | 45.6 | Very low | 63 Ų | 63 | 150.2 Ų | 150.2 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 121 | L | 41 | Very low | 44.8 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 137.2 | 175.6 | -89.2 | 86.5 | 0 | 0 | 0 | 110.1 | G123 | L121-G123 PolarHBondContact O-N 2.99Š|
| 122 | Y | 46.6 | Very low | 44.6 | Very low | 218 Ų | 218 | 155 Ų | 155 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 128.3 | 166.7 | -96.8 | -101.9 | 0 | 0 | 0 | 108.6 | | |
| 123 | G | 46 | Very low | 44.4 | Very low | 69 Ų | 69 | 149 Ų | 149 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 134.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L121 | L121-G123 PolarHBondContact O-N 2.99Š|
| 124 | D | 41.5 | Very low | 43.8 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 138.6 | 175.5 | -69.6 | -43.7 | 0 | 0 | 0 | 111.1 | G126 | D124-G126 PolarHBondContact O-N 3.11Å; D124-G126 VanDerWaalsContact O-N 3.11Å |
| 125 | I | 45.6 | Very low | 43.8 | Very low | 182 Ų | 182 | 150.5 Ų | 150.5 | 93% | 0.933 | 82% | 0.817 | S | S | * | * | | | trans | -67.7 | 107.4 | 179.4 | -64.2 | 169.9 | 0 | 0 | 0 | 108.4 | | |
| 126 | G | 41.5 | Very low | 43.8 | Very low | 62 Ų | 62 | 145.1 Ų | 145.1 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | | | trans | -125.3 | 126.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D124 | D124-G126 PolarHBondContact O-N 3.11Å; D124-G126 VanDerWaalsContact O-N 3.11Å |
| 127 | T | 37.7 | Very low | 43.4 | Very low | 133 Ų | 133 | 142 Ų | 142 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | | | trans | 8.9 | 139.8 | 163.7 | 45.8 | 0 | 0 | 0 | 0 | 121.3 | G129 | T127-G129 PolarHBondContact O-N 3.25Š|
| 128 | P | 46.6 | Very low | 43.5 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 92% | 0.922 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -74.6 | 113.9 | -177.4 | 8.9 | 5 | 0 | 0 | 0 | 111.7 | | |
| 129 | G | 47.3 | Very low | 43.5 | Very low | 65 Ų | 65 | 136.7 Ų | 136.7 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 166.2 | 104.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T127 | T127-G129 PolarHBondContact O-N 3.25Š|
| 130 | M | 44.3 | Very low | 43.1 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 57.5 | 101.1 | 162.2 | -64.1 | 171.1 | 67.3 | 0 | 0 | 116.7 | | |
| 131 | I | 38.7 | Very low | 42.9 | Very low | 168 Ų | 168 | 142 Ų | 142 | 86% | 0.862 | 82% | 0.817 | S | S | * | * | | | trans | 169.7 | 122.3 | 131.4 | -79.2 | 146.2 | 0 | 0 | 0 | 106.8 | G133 | I131-G133 PolarHBondContact O-N 3.46Å; I131-G133 VanDerWaalsContact O-N 3.12Å |
| 132 | K | 45.6 | Very low | 43 | Very low | 205 Ų | 205 | 136.8 Ų | 136.8 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | trans | -67.9 | 107.7 | 173.5 | -172.3 | 175.4 | -175.5 | 175.2 | 0 | 108.1 | S134 | K132-S134 PolarHBondContact O-N 3.36Š|
| 133 | G | 45.6 | Very low | 42.5 | Very low | 68 Ų | 68 | 134.1 Ų | 134.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 118.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I131 K135 | I131-G133 PolarHBondContact O-N 3.46Å; I131-G133 VanDerWaalsContact O-N 3.12Å; G133-K135 PolarHBondContact O-N 2.94Å |
| 134 | S | 40.3 | Very low | 42.3 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 128.1 | 175.9 | 49.9 | 0 | 0 | 0 | 0 | 110 | K132 G136 | K132-S134 PolarHBondContact O-N 3.36Å; S134-G136 PolarHBondContact O-N 2.9Å |
| 135 | K | 44 | Very low | 42.4 | Very low | 195 Ų | 195 | 136 Ų | 136 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 124 | 174 | -166.8 | 175.8 | -174.8 | 175.6 | 0 | 109.4 | G133 H137 | G133-K135 PolarHBondContact O-N 2.94Å; K135-H137 PolarHBondContact O-N 3.11Å |
| 136 | G | 45 | Very low | 42 | Very low | 69 Ų | 69 | 135.1 Ų | 135.1 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 134.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | S134 | S134-G136 PolarHBondContact O-N 2.9Š|
| 137 | H | 38.2 | Very low | 42 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 146.1 | -177.2 | -64.4 | -7.9 | 0 | 0 | 0 | 110.9 | K135 G139 | K135-H137 PolarHBondContact O-N 3.11Å; H137-G139 PolarHBondContact O-N 2.88Å |
| 138 | P | 45.6 | Very low | 42.3 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 136.1 | 171.5 | -22.6 | 32.3 | 0 | 0 | 0 | 110.4 | L140 | P138-L140 PolarHBondContact O-N 3.46Š|
| 139 | G | 43.2 | Very low | 41.9 | Very low | 75 Ų | 75 | 140.1 Ų | 140.1 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 138.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | H137 R141 | H137-G139 PolarHBondContact O-N 2.88Å; G139-R141 PolarHBondContact O-N 2.91Å |
| 140 | L | 35.3 | Very low | 41.6 | Very low | 173 Ų | 173 | 148.5 Ų | 148.5 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 133.7 | 179.5 | -67.6 | 166.2 | 0 | 0 | 0 | 110 | P138 G142 | P138-L140 PolarHBondContact O-N 3.46Å; L140-G142 PolarHBondContact O-N 2.89Å |
| 141 | R | 41.1 | Very low | 41.5 | Very low | 236 Ų | 236 | 142.6 Ų | 142.6 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 121.3 | 173.4 | -175.8 | 179.8 | -170 | 176.1 | 4.8 | 107.5 | G139 D143 | G139-R141 PolarHBondContact O-N 2.91Å; R141-D143 PolarHBondContact O-N 3.24Å |
| 142 | G | 43.1 | Very low | 41.6 | Very low | 66 Ų | 66 | 140.6 Ų | 140.6 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 137.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L140 | L140-G142 PolarHBondContact O-N 2.89Š|
| 143 | D | 37.5 | Very low | 41.4 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 142.4 | -175.8 | -67.3 | -38 | 0 | 0 | 0 | 111.2 | R141 G145 | R141-D143 PolarHBondContact O-N 3.24Å; D143-G145 PolarHBondContact O-N 2.91Å; D143-G145 VanDerWaalsContact O-N 3.1Å |
| 144 | K | 41.3 | Very low | 41.2 | Very low | 204 Ų | 204 | 137.1 Ų | 137.1 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 119.6 | 173.9 | -168 | 177.1 | -174.4 | 178.3 | 0 | 107.2 | L146 | K144-L146 PolarHBondContact O-N 3.39Š|
| 145 | G | 43.6 | Very low | 41.2 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 130.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D143 K147 | D143-G145 PolarHBondContact O-N 2.91Å; D143-G145 VanDerWaalsContact O-N 3.1Å; G145-K147 PolarHBondContact O-N 2.97Å |
| 146 | L | 36.7 | Very low | 41 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 135 | -176.7 | -66.9 | 169.2 | 0 | 0 | 0 | 109.8 | K144 G148 | K144-L146 PolarHBondContact O-N 3.39Å; L146-G148 PolarHBondContact O-N 3.25Å; L146-G148 VanDerWaalsContact O-N 3.12Å |
| 147 | K | 41.4 | Very low | 40.7 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 121.8 | 172.8 | -174.1 | 178 | -178.3 | -179.8 | 0 | 107 | G145 H149 | G145-K147 PolarHBondContact O-N 2.97Å; K147-H149 PolarHBondContact O-N 3.47Å |
| 148 | G | 43.9 | Very low | 40.9 | Very low | 64 Ų | 64 | 137.2 Ų | 137.2 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 131.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110 | L146 | L146-G148 PolarHBondContact O-N 3.25Å; L146-G148 VanDerWaalsContact O-N 3.12Å |
| 149 | H | 37.6 | Very low | 40.6 | Very low | 180 Ų | 180 | 143 Ų | 143 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 145.5 | -179.8 | -66.2 | -74.3 | 0 | 0 | 0 | 110.3 | K147 G151 | K147-H149 PolarHBondContact O-N 3.47Å; H149-G151 PolarHBondContact O-N 3.44Å |
| 150 | R | 41.5 | Very low | 40.3 | Very low | 241 Ų | 241 | 141.7 Ų | 141.7 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 127.8 | 171 | -168.7 | -178.9 | -167.5 | -162.9 | 3.2 | 107.4 | | |
| 151 | G | 42.9 | Very low | 40.5 | Very low | 55 Ų | 55 | 139.1 Ų | 139.1 | 57% | 0.567 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 144.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | H149 | H149-G151 PolarHBondContact O-N 3.44Š|
| 152 | P | 41.1 | Very low | 40.5 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 145.5 | -177.6 | 23.9 | -33.3 | 0 | 0 | 0 | 110.8 | G154 | P152-G154 PolarHBondContact O-N 3.15Š|
| 153 | T | 41.1 | Very low | 40.3 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 128.1 | 168.5 | -55.5 | 0 | 0 | 0 | 0 | 108.4 | E155 | T153-E155 PolarHBondContact O-N 3.15Š|
| 154 | G | 40.7 | Very low | 40.3 | Very low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 132.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P152 | P152-G154 PolarHBondContact O-N 3.15Š|
| 155 | E | 39.8 | Very low | 40.4 | Very low | 146 Ų | 146 | 127 Ų | 127 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -63 | 145 | -177.7 | -69.6 | 177.4 | 150 | 0 | 0 | 111.3 | T153 G157 R192 | T153-E155 PolarHBondContact O-N 3.15Å; E155-G157 PolarHBondContact O-N 3.1Å; E155-R192 IonicContact OE1-NH2 3.72Å; E155-R192 IonicContact OE2-CZ 3.8Å; E155-R192 IonicContact OE2-NE 2.61Å; E155-R192 IonicContact OE2-NH2 3.37Å; E155-R192 PolarHBondContact OE2-NH2 2.97Å |
| 156 | K | 40.1 | Very low | 40.3 | Very low | 202 Ų | 202 | 127.6 Ų | 127.6 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 127.4 | 170.7 | -174.2 | 176.7 | -178.2 | 177 | 0 | 108.3 | E158 | K156-E158 PolarHBondContact O-N 3.4Š|
| 157 | G | 39.4 | Very low | 40.2 | Very low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 137.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E155 | E155-G157 PolarHBondContact O-N 3.1Š|
| 158 | E | 41.8 | Very low | 40.4 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 58% | 0.584 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 145 | -178 | -66.2 | -175.1 | 173.8 | 0 | 0 | 111.8 | K156 G160 M195 | K156-E158 PolarHBondContact O-N 3.4Å; E158-G160 PolarHBondContact O-N 3.43Å; E158-M195 HydrophobicContact CB-SD 4.36Å; E158-M195 HydrophobicContact CG-SD 4.25Å; E158-M195 VanDerWaalsContact OE2-CE 3.25Å; E158-M195 WeakPolarHBondContact OE2-CE 3.4Å; E158-M195 VanDerWaalsContact OE2-SD 3.37Å |
| 159 | R | 38.7 | Very low | 40.4 | Very low | 245 Ų | 245 | 127.8 Ų | 127.8 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 126.5 | 171 | -175.2 | -173.3 | -63.7 | -134 | 2.3 | 108.1 | | |
| 160 | G | 37.2 | Very low | 40.2 | Very low | 47 Ų | 47 | 127.1 Ų | 127.1 | 49% | 0.485 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -55 | 138.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E158 | E158-G160 PolarHBondContact O-N 3.43Š|
| 161 | I | 40.2 | Very low | 40.3 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 138.9 | -178.1 | -46.2 | 167.5 | 0 | 0 | 0 | 110.6 | K198 | I161-K198 PolarHBondContact O-NZ 3.01Š|
| 162 | P | 40.9 | Very low | 40.3 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 148.4 | 166.4 | -20.4 | 32.7 | 0 | 0 | 0 | 112.1 | | |
| 163 | G | 38.4 | Very low | 40 | Very low | 65 Ų | 65 | 126.2 Ų | 126.2 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 149.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 164 | T | 36.9 | Very low | 39.7 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 144.5 | -179.4 | 47.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 165 | A | 44.6 | Very low | 39.6 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 145.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 166 | G | 41.5 | Very low | 39.4 | Very low | 81 Ų | 81 | 131 Ų | 131 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 147.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 167 | E | 34.2 | Very low | 39 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 140.3 | -170.7 | -65.4 | -168.2 | 151.6 | 0 | 0 | 114.1 | | |
| 168 | Q | 45.9 | Very low | 38.8 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 134.2 | 165.7 | -178.1 | 177.1 | -27 | 0 | 0 | 109.4 | | |
| 169 | G | 43.2 | Very low | 38.6 | Very low | 65 Ų | 65 | 136.3 Ų | 136.3 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 143.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 170 | H | 33.7 | Very low | 38.3 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 131.9 | -171.5 | -61.1 | -67.8 | 0 | 0 | 0 | 114.2 | | |
| 171 | P | 44.2 | Very low | 38.9 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 144.4 | 161.1 | -15.7 | 31.3 | 0 | 0 | 0 | 112.2 | | |
| 172 | G | 41.7 | Very low | 38.5 | Very low | 77 Ų | 77 | 137.3 Ų | 137.3 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 151.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 173 | Q | 35.6 | Very low | 38.2 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 95% | 0.953 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 134.7 | -179.2 | -86.4 | -178.5 | 1.3 | 0 | 0 | 112.7 | | |
| 174 | K | 36 | Very low | 38.2 | Very low | 203 Ų | 203 | 141 Ų | 141 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -94 | 127.8 | 167.6 | -170.7 | 175.9 | -178.2 | -178.5 | 0 | 108.9 | | |
| 175 | G | 37.9 | Very low | 38.3 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 151.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 176 | D | 35 | Very low | 38.1 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 143.5 | -174.6 | -60.7 | -43 | 0 | 0 | 0 | 112.8 | | |
| 177 | R | 31.7 | Very low | 38.4 | Very low | 253 Ų | 253 | 146.9 Ų | 146.9 | 96% | 0.955 | 83% | 0.83 | S | S | * | * | | | trans | -117.7 | 138.1 | 167.6 | -168.2 | 171.7 | 176.2 | 167.2 | -1.1 | 110.3 | | |
| 178 | G | 36.2 | Very low | 38.7 | Very low | 74 Ų | 74 | 146.4 Ų | 146.4 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | trans | -65.2 | 166.3 | -154.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 179 | L | 36.7 | Very low | 38.7 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 97% | 0.969 | 82% | 0.823 | S | S | * | * | | | trans | -73.8 | 134.3 | -171.2 | -65.4 | 161.5 | 0 | 0 | 0 | 112.7 | | |
| 180 | M | 32.8 | Very low | 39 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | | | trans | -117.2 | 125.8 | 158.7 | -165.3 | 174.5 | 89.7 | 0 | 0 | 107.7 | | |
| 181 | G | 48.6 | Very low | 39.4 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | | | trans | -87.4 | 148.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 182 | E | 31.9 | Very low | 39.4 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | | | trans | -145.7 | 160.8 | 167.9 | -88.8 | -149.9 | 153.7 | 0 | 0 | 114.4 | | |
| 183 | Q | 36 | Very low | 39.6 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | | | trans | -52.2 | 144.6 | -168.4 | -176.6 | 175.7 | -17.9 | 0 | 0 | 117.1 | | |
| 184 | G | 37.8 | Very low | 40 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | -76.4 | 136.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 185 | T | 38.2 | Very low | 40.1 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -114.1 | 164 | -177.5 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 186 | R | 40.6 | Very low | 40.4 | Very low | 235 Ų | 235 | 136.7 Ų | 136.7 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | -44.7 | 138.9 | 178.9 | -177 | 178.2 | -176.3 | 175.1 | 1.8 | 113.6 | E188 | R186-E188 PolarHBondContact O-N 3.24Š|
| 187 | G | 48 | Very low | 40.7 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 122.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 188 | E | 41.8 | Very low | 41.1 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 151.4 | -175.3 | -72.9 | -112.8 | 138 | 0 | 0 | 113.4 | R186 | R186-E188 PolarHBondContact O-N 3.24Š|
| 189 | P | 45.8 | Very low | 41.5 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 139.1 | 168.2 | -25 | 34.2 | 0 | 0 | 0 | 112.3 | A191 | P189-A191 PolarHBondContact O-N 2.87Š|
| 190 | G | 48 | Very low | 41.7 | Very low | 79 Ų | 79 | 122.4 Ų | 122.4 | 81% | 0.814 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 128.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R192 | G190-R192 PolarHBondContact O-N 3.2Š|
| 191 | A | 43.3 | Very low | 42.2 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 134 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | P189 G193 | P189-A191 PolarHBondContact O-N 2.87Å; A191-G193 PolarHBondContact O-N 3.38Å |
| 192 | R | 44.8 | Very low | 41.9 | Very low | 182 Ų | 182 | 118.5 Ų | 118.5 | 69% | 0.687 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 129.5 | 171.2 | -173.8 | 171.9 | 176.7 | -162.2 | -8.4 | 109.1 | E155 G190 K194 | E155-R192 IonicContact OE1-NH2 3.72Å; E155-R192 IonicContact OE2-CZ 3.8Å; E155-R192 IonicContact OE2-NE 2.61Å; E155-R192 IonicContact OE2-NH2 3.37Å; E155-R192 PolarHBondContact OE2-NH2 2.97Å; G190-R192 PolarHBondContact O-N 3.2Å; R192-K194 PolarHBondContact O-N 3.2Å |
| 193 | G | 45.2 | Very low | 42.5 | Very low | 60 Ų | 60 | 116.9 Ų | 116.9 | 62% | 0.619 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 138.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A191 | A191-G193 PolarHBondContact O-N 3.38Š|
| 194 | K | 42.6 | Very low | 42.9 | Very low | 186 Ų | 186 | 113 Ų | 113 | 81% | 0.809 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 134.2 | -178.9 | -64.1 | -176 | 179.6 | -175.6 | 0 | 109.9 | R192 | R192-K194 PolarHBondContact O-N 3.2Š|
| 195 | M | 40.1 | Very low | 43.1 | Very low | 124 Ų | 124 | 111.1 Ų | 111.1 | 61% | 0.611 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 135.3 | 173.1 | -179.1 | 164.6 | 56.3 | 0 | 0 | 110.1 | E158 | E158-M195 HydrophobicContact CB-SD 4.36Å; E158-M195 HydrophobicContact CG-SD 4.25Å; E158-M195 VanDerWaalsContact OE2-CE 3.25Å; E158-M195 WeakPolarHBondContact OE2-CE 3.4Å; E158-M195 VanDerWaalsContact OE2-SD 3.37Å |
| 196 | G | 43.7 | Very low | 43.5 | Very low | 40 Ų | 40 | 112.6 Ų | 112.6 | 41% | 0.412 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 143.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | K198 | G196-K198 PolarHBondContact O-N 3.39Š|
| 197 | L | 41 | Very low | 43.8 | Very low | 134 Ų | 134 | 110 Ų | 110 | 70% | 0.702 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 131.4 | -178.3 | -65.5 | 168.2 | 0 | 0 | 0 | 110.1 | G99 G199 | G99-L197 WeakPolarHBondContact CA-O 3.41Å; L197-G199 PolarHBondContact O-N 3.07Å |
| 198 | K | 40.8 | Very low | 43.5 | Very low | 133 Ų | 133 | 107.9 Ų | 107.9 | 58% | 0.578 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 134 | 173.5 | -173.3 | -178.1 | 179.2 | -170.2 | 0 | 109.1 | I161 G196 | I161-K198 PolarHBondContact O-NZ 3.01Å; G196-K198 PolarHBondContact O-N 3.39Å |
| 199 | G | 43.7 | Very low | 43.6 | Very low | 28 Ų | 28 | 107 Ų | 107 | 29% | 0.289 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -50.8 | 140.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E97 L197 | E97-G199 WeakPolarHBondContact O-CA 3.45Å; L197-G199 PolarHBondContact O-N 3.07Å |
| 200 | S | 41.3 | Very low | 43.7 | Very low | 90 Ų | 90 | 107.3 Ų | 107.3 | 63% | 0.629 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 145.1 | 179.7 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | G96 G202 | G96-S200 WeakPolarHBondContact CA-O 3.14Å; S200-G202 PolarHBondContact O-N 3.43Å |
| 201 | I | 42 | Very low | 43.3 | Very low | 139 Ų | 139 | 105.4 Ų | 105.4 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 134.5 | 170.2 | -64.4 | 170.7 | 0 | 0 | 0 | 107.3 | | |
| 202 | G | 43.1 | Very low | 43.3 | Very low | 25 Ų | 25 | 104.6 Ų | 104.6 | 26% | 0.258 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 144.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P94 S200 A204 | P94-G202 WeakPolarHBondContact O-CA 3.46Å; S200-G202 PolarHBondContact O-N 3.43Å; G202-A204 PolarHBondContact O-N 3.39Å |
| 203 | L | 43.9 | Very low | 43.2 | Very low | 151 Ų | 151 | 100.5 Ų | 100.5 | 79% | 0.791 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 142.7 | 177.6 | -64.2 | 172.8 | 0 | 0 | 0 | 110.7 | G93 G205 | G93-L203 WeakPolarHBondContact CA-O 3.35Å; L203-G205 PolarHBondContact O-N 3.47Å |
| 204 | A | 45.3 | Very low | 43 | Very low | 98 Ų | 98 | 99.5 Ų | 99.5 | 81% | 0.81 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 136.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | G202 | G202-A204 PolarHBondContact O-N 3.39Š|
| 205 | G | 42.8 | Very low | 43.1 | Very low | 35 Ų | 35 | 97.8 Ų | 97.8 | 36% | 0.361 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 140.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V91 L203 Q207 | V91-G205 WeakPolarHBondContact O-CA 3.33Å; L203-G205 PolarHBondContact O-N 3.47Å; G205-Q207 PolarHBondContact O-N 3.47Å |
| 206 | E | 45.4 | Very low | 43.3 | Very low | 163 Ų | 163 | 97.4 Ų | 97.4 | 76% | 0.762 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 141.2 | 177.1 | -67 | -151.8 | 155.3 | 0 | 0 | 111.2 | G90 G208 | G90-E206 VanDerWaalsContact CA-O 3.24Å; G90-E206 WeakPolarHBondContact CA-O 3.34Å; E206-G208 PolarHBondContact O-N 3.25Å |
| 207 | Q | 47.8 | Very low | 43.3 | Very low | 181 Ų | 181 | 97.5 Ų | 97.5 | 85% | 0.846 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 125.4 | 176.9 | -179.2 | 175.5 | -22.2 | 0 | 0 | 109.5 | G205 H209 | G205-Q207 PolarHBondContact O-N 3.47Å; Q207-H209 PolarHBondContact O-N 3.49Å |
| 208 | G | 41.6 | Very low | 43.5 | Very low | 30 Ų | 30 | 98.5 Ų | 98.5 | 31% | 0.309 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 138.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E206 | E206-G208 PolarHBondContact O-N 3.25Š|
| 209 | H | 43.6 | Very low | 43.7 | Very low | 151 Ų | 151 | 100.9 Ų | 100.9 | 70% | 0.699 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 147.8 | -177.8 | -61.2 | -20.4 | 0 | 0 | 0 | 112 | Q207 G211 | Q207-H209 PolarHBondContact O-N 3.49Å; H209-G211 PolarHBondContact O-N 3.41Å |
| 210 | P | 47.1 | Very low | 43.8 | Very low | 125 Ų | 125 | 100.7 Ų | 100.7 | 81% | 0.812 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 139.6 | 172.6 | -25.1 | 33.9 | 0 | 0 | 0 | 111.4 | | |
| 211 | G | 41.3 | Very low | 44.2 | Very low | 38 Ų | 38 | 104.6 Ų | 104.6 | 39% | 0.392 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 148 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | H209 | H209-G211 PolarHBondContact O-N 3.41Š|
| 212 | A | 42.8 | Very low | 44.7 | Very low | 83 Ų | 83 | 103.6 Ų | 103.6 | 69% | 0.686 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 213 | A | 43.2 | Very low | 44.9 | Very low | 97 Ų | 97 | 104.4 Ų | 104.4 | 80% | 0.802 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 140 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 214 | G | 40.7 | Very low | 45.2 | Very low | 39 Ų | 39 | 104.6 Ų | 104.6 | 40% | 0.402 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 147.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 215 | L | 43.6 | Very low | 45.6 | Very low | 149 Ų | 149 | 105.3 Ų | 105.3 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 145.1 | 177.8 | -68 | 169.4 | 0 | 0 | 0 | 110.6 | | |
| 216 | P | 45.3 | Very low | 45.9 | Very low | 117 Ų | 117 | 105.7 Ų | 105.7 | 76% | 0.76 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 143 | 170.4 | -23.8 | 33.3 | 0 | 0 | 0 | 111.2 | | |
| 217 | G | 43.2 | Very low | 46 | Very low | 42 Ų | 42 | 105.3 Ų | 105.3 | 43% | 0.433 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 147.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 218 | L | 45.2 | Very low | 45.8 | Very low | 155 Ų | 155 | 100.7 Ų | 100.7 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 140 | 176.1 | -64.1 | 171.9 | 0 | 0 | 0 | 109.9 | | |
| 219 | H | 45.4 | Very low | 46.1 | Very low | 182 Ų | 182 | 108 Ų | 108 | 84% | 0.843 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 135.7 | 172.9 | -168.5 | 68.6 | 0 | 0 | 0 | 109.1 | | |
| 220 | G | 46.3 | Very low | 46.1 | Very low | 25 Ų | 25 | 107.4 Ų | 107.4 | 26% | 0.258 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 145.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 221 | E | 49.6 | Very low | 46.2 | Very low | 172 Ų | 172 | 108.8 Ų | 108.8 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -67 | 144.9 | 177.1 | -63.9 | -139.1 | 152.6 | 0 | 0 | 111 | G223 | E221-G223 PolarHBondContact O-N 3.48Š|
| 222 | P | 51.2 | Low | 46.6 | Very low | 117 Ų | 117 | 112.3 Ų | 112.3 | 76% | 0.76 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 136.9 | 173.6 | -22.9 | 32.7 | 0 | 0 | 0 | 111.5 | | |
| 223 | G | 47.8 | Very low | 46.8 | Very low | 43 Ų | 43 | 111.9 Ų | 111.9 | 44% | 0.443 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 139.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E221 | E221-G223 PolarHBondContact O-N 3.48Š|
| 224 | L | 49.8 | Very low | 47.2 | Very low | 155 Ų | 155 | 115.5 Ų | 115.5 | 81% | 0.812 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 137.9 | 177.7 | -69.5 | 165.2 | 0 | 0 | 0 | 110.4 | G226 | L224-G226 PolarHBondContact O-N 3.48Š|
| 225 | P | 53.2 | Low | 47.7 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 135.4 | 175 | 24.1 | -31.3 | 0 | 0 | 0 | 110.3 | Q227 | P225-Q227 PolarHBondContact O-N 3.5Š|
| 226 | G | 50.8 | Low | 48 | Very low | 43 Ų | 43 | 118.5 Ų | 118.5 | 44% | 0.443 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 120.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L224 V228 | L224-G226 PolarHBondContact O-N 3.48Å; G226-V228 PolarHBondContact O-N 3.39Å |
| 227 | Q | 46.2 | Very low | 48.2 | Very low | 154 Ų | 154 | 120.7 Ų | 120.7 | 72% | 0.72 | 70% | 0.697 | S | S | * | * | | | trans | -81.7 | 106.9 | 172.3 | -83.9 | 172 | -21.6 | 0 | 0 | 109.7 | P225 Y229 | P225-Q227 PolarHBondContact O-N 3.5Å; Q227-Y229 HydrophobicContact CB-CD2 4.28Å; Q227-Y229 HydrophobicContact CB-CE2 3.76Å; Q227-Y229 PolarHBondContact OE1-OH 2.89Å |
| 228 | V | 44.6 | Very low | 48.5 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 52% | 0.515 | 72% | 0.717 | S | S | . | * | | | trans | -84.9 | 107.5 | 167.5 | -176.9 | 0 | 0 | 0 | 0 | 108 | M66 G226 I230 | M66-V228 HydrophobicContact SD-CG1 4.49Å; G226-V228 PolarHBondContact O-N 3.39Å; V228-I230 HydrophobicContact CG1-CG1 4.01Å; V228-I230 PolarHBondContact O-N 3.49Å |
| 229 | Y | 46.8 | Very low | 48.5 | Very low | 182 Ų | 182 | 121 Ų | 121 | 71% | 0.714 | 72% | 0.718 | S | S | * | * | | | trans | -88.3 | 100.7 | 169.3 | -68.9 | -83.1 | 0 | 0 | 0 | 109.2 | Q227 L231 | Q227-Y229 HydrophobicContact CB-CD2 4.28Å; Q227-Y229 HydrophobicContact CB-CE2 3.76Å; Q227-Y229 PolarHBondContact OE1-OH 2.89Å; Y229-L231 PolarHBondContact O-N 3.35Å |
| 230 | I | 43.7 | Very low | 48.6 | Very low | 139 Ų | 139 | 117.9 Ų | 117.9 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | | | trans | -83.9 | 102.5 | 164 | -55 | 176 | 0 | 0 | 0 | 106.4 | V228 P232 | V228-I230 HydrophobicContact CG1-CG1 4.01Å; V228-I230 PolarHBondContact O-N 3.49Å; I230-P232 VanDerWaalsContact O-CD 3.31Å; I230-P232 WeakPolarHBondContact O-CD 3.5Å |
| 231 | L | 48.5 | Very low | 48.9 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 118.4 | 163.6 | -75.3 | 161 | 0 | 0 | 0 | 107.1 | Y229 G233 | Y229-L231 PolarHBondContact O-N 3.35Å; L231-G233 PolarHBondContact O-N 3.47Å; L231-G233 VanDerWaalsContact O-N 3.09Å |
| 232 | P | 50.9 | Low | 48.4 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 119.3 | 170.3 | -16 | 28.8 | 0 | 0 | 0 | 107.4 | I230 L234 | I230-P232 VanDerWaalsContact O-CD 3.31Å; I230-P232 WeakPolarHBondContact O-CD 3.5Å; P232-L234 PolarHBondContact O-N 3.28Å |
| 233 | G | 47 | Very low | 47.9 | Very low | 75 Ų | 75 | 124.3 Ų | 124.3 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | L231 Q235 | L231-G233 PolarHBondContact O-N 3.47Å; L231-G233 VanDerWaalsContact O-N 3.09Å; G233-Q235 PolarHBondContact O-N 3.34Å; G233-Q235 VanDerWaalsContact O-N 3.16Å |
| 234 | L | 51.2 | Low | 47.7 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 122.6 | 175.7 | -70.5 | 166.9 | 0 | 0 | 0 | 108 | P232 G236 | P232-L234 PolarHBondContact O-N 3.28Å; L234-G236 PolarHBondContact O-N 3.48Å; L234-G236 VanDerWaalsContact O-N 3.12Å |
| 235 | Q | 51.1 | Low | 46.8 | Very low | 185 Ų | 185 | 125 Ų | 125 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 116.4 | 173.9 | -177.4 | 169.9 | 12.8 | 0 | 0 | 107.6 | G233 D237 | G233-Q235 PolarHBondContact O-N 3.34Å; G233-Q235 VanDerWaalsContact O-N 3.16Å; Q235-D237 PolarHBondContact O-N 2.61Å |
| 236 | G | 50.7 | Low | 46 | Very low | 66 Ų | 66 | 125.7 Ų | 125.7 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 131.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L234 S238 | L234-G236 PolarHBondContact O-N 3.48Å; L234-G236 VanDerWaalsContact O-N 3.12Å; G236-S238 PolarHBondContact O-N 3.21Å |
| 237 | D | 48 | Very low | 45.1 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 136.1 | 178.1 | -67.3 | -40.2 | 0 | 0 | 0 | 110.5 | Q235 G239 | Q235-D237 PolarHBondContact O-N 2.61Å; D237-G239 PolarHBondContact O-N 3.37Å |
| 238 | S | 51.1 | Low | 44.3 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 122.7 | 175.7 | -66.5 | 0 | 0 | 0 | 0 | 109.5 | G236 S240 | G236-S238 PolarHBondContact O-N 3.21Å; S238-S240 PolarHBondContact O-N 3.49Å |
| 239 | G | 44.1 | Very low | 43.6 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 122 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D237 | D237-G239 PolarHBondContact O-N 3.37Š|
| 240 | S | 48.2 | Very low | 43.3 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 139.2 | 175.6 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | S238 G242 | S238-S240 PolarHBondContact O-N 3.49Å; S240-G242 PolarHBondContact O-N 3.38Å |
| 241 | R | 51.8 | Low | 42.7 | Very low | 252 Ų | 252 | 130 Ų | 130 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 126 | 172.1 | -129.5 | 177.4 | -174.6 | -179.4 | 1.3 | 109.5 | | |
| 242 | G | 39.6 | Very low | 42 | Very low | 64 Ų | 64 | 126.4 Ų | 126.4 | 66% | 0.66 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 148.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | S240 | S240-G242 PolarHBondContact O-N 3.38Š|
| 243 | P | 40.2 | Very low | 41.2 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 135.3 | -171.7 | 29.7 | -33.1 | 0 | 0 | 0 | 112 | | |
| 244 | S | 43.8 | Very low | 40.5 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -82.3 | 113.8 | 161.7 | 52 | 0 | 0 | 0 | 0 | 109.3 | | |
| 245 | A | 32.2 | Very low | 39.8 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | | | trans | -83.9 | 144 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 246 | P | 36.2 | Very low | 38.9 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | | | | -126.2 | 154.9 | 111.8 | 33.3 | -24.1 | 0 | 0 | 0 | 113.1 | | |
| 247 | C | 30.7 | Very low | 38.3 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | | | trans | -57.5 | 148.4 | -166.3 | -53.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 248 | S | 30.7 | Very low | 38.2 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | | | | 175.2 | 129.2 | 122 | -72 | 0 | 0 | 0 | 0 | 112 | | |
| 249 | C | 30.2 | Very low | 37.4 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | | | trans | -77.3 | 161.1 | 172.9 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 250 | P | 39.4 | Very low | 37.3 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | | -143.2 | 170.9 | 87.8 | 33.1 | -13.3 | 0 | 0 | 0 | 116.1 | | |
| 251 | Q | 31.2 | Very low | 36.9 | Very low | 198 Ų | 198 | 140.5 Ų | 140.5 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | | | trans | -64.1 | 159.2 | -169.3 | -66.1 | 150.9 | -39.5 | 0 | 0 | 116.4 | | |
| 252 | G | 33.3 | Very low | 36.3 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | 167.6 | 95.8 | 157 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 253 | Q | 33.9 | Very low | 36.3 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | | | trans | -66.7 | 148.7 | -179.5 | -60.1 | 173.9 | -10 | 0 | 0 | 112.4 | | |
| 254 | S | 32.5 | Very low | 36.4 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | | 168 | 130.4 | 98.5 | 63.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 255 | S | 37 | Very low | 36.4 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -38 | 138.8 | 166.9 | -175.5 | 0 | 0 | 0 | 0 | 115 | | |
| 256 | Q | 32.4 | Very low | 36.6 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | | 167.2 | 110.2 | 121.1 | -88.2 | 165.4 | 3.9 | 0 | 0 | 111.8 | | |
| 257 | R | 36.7 | Very low | 37.1 | Very low | 241 Ų | 241 | 136 Ų | 136 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | | | trans | -148 | 166.2 | 148.6 | -78.1 | -167.7 | -175.5 | -179 | 1.9 | 106.1 | | |
| 258 | P | 47.6 | Very low | 37.3 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | | | cis | -122.3 | -177.2 | -40.4 | 32 | -14.2 | 0 | 0 | 0 | 107.7 | | |
| 259 | L | 34.2 | Very low | 37.8 | Very low | 138 Ų | 138 | 134 Ų | 134 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | | | trans | -169.5 | 90.9 | 154.8 | -102.6 | 147.6 | 0 | 0 | 0 | 108.5 | | |
| 260 | D | 40.9 | Very low | 38.4 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | -132.7 | 116.7 | 151.4 | -92.3 | -30.7 | 0 | 0 | 0 | 108.1 | | |
| 261 | N | 41.3 | Very low | 38.3 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | 127.1 | 98.4 | 155.8 | -61.4 | -23.3 | 0 | 0 | 0 | 113.5 | | |
| 262 | V | 38.7 | Very low | 38.7 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 62% | 0.624 | 75% | 0.748 | S | S | * | * | | | trans | -109.6 | 110.5 | 171.1 | 178.8 | 0 | 0 | 0 | 0 | 109 | | |
| 263 | L | 38.9 | Very low | 39 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 91% | 0.911 | 74% | 0.74 | S | S | * | * | | | trans | -86.5 | 123.5 | 156.9 | -113.3 | 97.9 | 0 | 0 | 0 | 108.2 | | |
| 264 | T | 41.8 | Very low | 39 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 48% | 0.479 | 73% | 0.734 | S | S | . | * | | | trans | -81 | 131.9 | -175.9 | -54.5 | 0 | 0 | 0 | 0 | 110 | F266 | T264-F266 HydrophobicContact CG2-CD2 4.4Å; T264-F266 HydrophobicContact CG2-CE1 4.38Å; T264-F266 HydrophobicContact CG2-CE2 3.8Å; T264-F266 HydrophobicContact CG2-CZ 3.78Å |
| 265 | V | 43.7 | Very low | 39.6 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | | | trans | -111.6 | 132.2 | 173.5 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 266 | F | 38.2 | Very low | 39.9 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 68% | 0.684 | 73% | 0.726 | S | S | * | * | | | trans | -106 | 128.1 | 176.9 | -63.8 | -88.1 | 0 | 0 | 0 | 109.5 | T264 M274 | T264-F266 HydrophobicContact CG2-CD2 4.4Å; T264-F266 HydrophobicContact CG2-CE1 4.38Å; T264-F266 HydrophobicContact CG2-CE2 3.8Å; T264-F266 HydrophobicContact CG2-CZ 3.78Å; F266-M274 HydrophobicContact CD1-SD 4.19Å |
| 267 | V | 46.3 | Very low | 40.6 | Very low | 60 Ų | 60 | 137.9 Ų | 137.9 | 36% | 0.364 | 71% | 0.708 | S | S | . | * | | | trans | -101.1 | 119 | 170.4 | -178 | 0 | 0 | 0 | 0 | 107.6 | D269 | V267-D269 PolarHBondContact O-N 3.27Š|
| 268 | A | 35.3 | Very low | 40.9 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | | | trans | -84.8 | 104 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 269 | D | 40.1 | Very low | 40.9 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 54% | 0.54 | 69% | 0.687 | S | S | . | * | | | trans | -84.8 | 138.5 | 162 | -158.7 | 1.3 | 0 | 0 | 0 | 108.8 | V267 E271 | V267-D269 PolarHBondContact O-N 3.27Å; D269-E271 PolarHBondContact O-N 3.12Å |
| 270 | G | 43.7 | Very low | 41.6 | Very low | 65 Ų | 65 | 133 Ų | 133 | 67% | 0.67 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -64.1 | 108.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 271 | E | 37.3 | Very low | 41.8 | Very low | 190 Ų | 190 | 132.3 Ų | 132.3 | 89% | 0.888 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 88.4 | 84.3 | 175.3 | -51.6 | -171.9 | 172.4 | 0 | 0 | 116.5 | D269 | D269-E271 PolarHBondContact O-N 3.12Š|
| 272 | K | 38.8 | Very low | 42.2 | Very low | 208 Ų | 208 | 127.8 Ų | 127.8 | 90% | 0.904 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 88.8 | 3.7 | 133.1 | -124.9 | -178.6 | -174.6 | -179 | 0 | 121.9 | | |
| 273 | E | 39.1 | Very low | 42.7 | Very low | 136 Ų | 136 | 129 Ų | 129 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | | | trans | -137.4 | 116.2 | 164.8 | -77.5 | -167 | 164.6 | 0 | 0 | 113.8 | R275 | E273-R275 IonicContact OE2-CZ 3.95Å; E273-R275 IonicContact OE2-NE 3.76Å; E273-R275 IonicContact OE2-NH2 3.2Å; E273-R275 PolarHBondContact OE2-NH2 3.28Å |
| 274 | M | 34.9 | Very low | 43.4 | Very low | 156 Ų | 156 | 123.9 Ų | 123.9 | 77% | 0.768 | 63% | 0.634 | S | S | * | * | | | trans | -80.4 | 119.4 | 168.7 | -69.1 | -176.7 | -77.7 | 0 | 0 | 109.4 | F266 | F266-M274 HydrophobicContact CD1-SD 4.19Š|
| 275 | R | 44.5 | Very low | 43.8 | Very low | 189 Ų | 189 | 124.9 Ų | 124.9 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | | | trans | -107.7 | 124.8 | 172.7 | -66.4 | -174.4 | 179.9 | 178.8 | 2.3 | 110.3 | E273 L277 | E273-R275 IonicContact OE2-CZ 3.95Å; E273-R275 IonicContact OE2-NE 3.76Å; E273-R275 IonicContact OE2-NH2 3.2Å; E273-R275 PolarHBondContact OE2-NH2 3.28Å; R275-L277 PolarHBondContact O-N 3.44Å |
| 276 | R | 42.8 | Very low | 44 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 65% | 0.645 | 64% | 0.636 | S | S | * | * | | | trans | -78.8 | 109.6 | 178.4 | -178.5 | -179.1 | -177.5 | 173.1 | 4.7 | 109.3 | | |
| 277 | L | 48.4 | Very low | 44.6 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 48% | 0.476 | 62% | 0.619 | S | S | . | * | | | trans | -88.6 | 127.7 | 168.2 | -64.3 | 169.8 | 0 | 0 | 0 | 108.6 | R275 I294 | R275-L277 PolarHBondContact O-N 3.44Å; L277-I294 HydrophobicContact CD1-CD1 3.27Å; L277-I294 HydrophobicContact CD1-CG2 4.5Å |
| 278 | R | 43.4 | Very low | 44.9 | Very low | 204 Ų | 204 | 127.5 Ų | 127.5 | 77% | 0.77 | 64% | 0.638 | S | S | * | * | | | trans | -103.7 | 120.2 | 171.2 | -74.7 | -174.3 | 177.4 | -167 | -0.6 | 107.4 | | |
| 279 | G | 47.7 | Very low | 45.9 | Very low | 42 Ų | 42 | 133.9 Ų | 133.9 | 43% | 0.433 | 64% | 0.641 | S | S | . | * | | | trans | 177.2 | 136.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 280 | E | 47.4 | Very low | 46.5 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 66% | 0.659 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -80.4 | 128.1 | 167.2 | -70.1 | 179 | 165.2 | 0 | 0 | 107.1 | | |
| 281 | N | 45.2 | Very low | 46.9 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 79.8 | 61.3 | -176.1 | -43.8 | -53.6 | 0 | 0 | 0 | 115.6 | | |
| 282 | V | 50.8 | Low | 48 | Very low | 53 Ų | 53 | 130.3 Ų | 130.3 | 32% | 0.321 | 60% | 0.598 | S | S | . | * | | | trans | -100.3 | 110.8 | 170.3 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | V284 I294 Y295 T296 | V282-V284 HydrophobicContact CG1-CG2 3.96Å; V282-I294 HydrophobicContact CG1-CG2 3.22Å; V282-Y295 WeakPolarHBondContact CA-O 2.96Å; V282-T296 HydrophobicContact CB-CG2 4.33Å; V282-T296 HydrophobicContact CG1-CG2 3.97Å; V282-T296 HydrophobicContact CG2-CG2 3.76Å |
| 283 | M | 47.6 | Very low | 48.9 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 63% | 0.631 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.8 | 163.9 | -79.7 | -146.4 | -67.5 | 0 | 0 | 109.6 | Y295 | M283-Y295 PolarHBondContact N-O 3.17Å; M283-Y295 PolarHBondContact O-N 3.38Å |
| 284 | V | 54.9 | Low | 50.2 | Low | 67 Ų | 67 | 118.1 Ų | 118.1 | 41% | 0.406 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 111.2 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | V282 L292 I294 | V282-V284 HydrophobicContact CG1-CG2 3.96Å; V284-L292 HydrophobicContact CG1-CD1 3.7Å; V284-I294 HydrophobicContact CG2-CG2 4.5Å |
| 285 | L | 48.8 | Very low | 51.2 | Low | 99 Ų | 99 | 114.2 Ų | 114.2 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 112.2 | 172.9 | -155.8 | 85.2 | 0 | 0 | 0 | 108.2 | T287 Y293 W300 | L285-T287 HydrophobicContact CD2-CG2 3.94Å; L285-T287 HydrophobicContact CG-CG2 4.4Å; L285-Y293 PolarHBondContact N-O 3.3Å; L285-Y293 PolarHBondContact O-N 3.4Å; L285-W300 HydrophobicContact CB-CZ3 4.31Å |
| 286 | R | 48.4 | Very low | 51.8 | Low | 199 Ų | 199 | 106.1 Ų | 106.1 | 75% | 0.751 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 116.7 | 174.2 | -173.4 | -179.3 | -176.2 | 176 | 5.1 | 109.1 | | |
| 287 | T | 51.5 | Low | 52.4 | Low | 52 Ų | 52 | 104.3 Ų | 104.3 | 32% | 0.319 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 99 | 174.8 | 53.2 | 0 | 0 | 0 | 0 | 109.5 | L285 S291 Y293 | L285-T287 HydrophobicContact CD2-CG2 3.94Å; L285-T287 HydrophobicContact CG-CG2 4.4Å; T287-S291 CarbonylContact C-O 3.54Å; T287-S291 PolarHBondContact N-O 3.1Å; T287-S291 PolarHBondContact OG1-O 3.26Å; T287-Y293 WeakPolarHBondContact OG1-CD2 3.24Å; T287-Y293 WeakPolarHBondContact OG1-CE2 3.07Å |
| 288 | D | 52.9 | Low | 52.6 | Low | 144 Ų | 144 | 104.5 Ų | 104.5 | 77% | 0.77 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 175.1 | 178.1 | -63.5 | -15.2 | 0 | 0 | 0 | 116.5 | R290 | D288-R290 PolarHBondContact O-N 3.45Š|
| 289 | R | 55.4 | Low | 53 | Low | 235 Ų | 235 | 101.5 Ų | 101.5 | 89% | 0.887 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 3.9 | -175 | -74 | -169.8 | 176.7 | 172.9 | -0.7 | 115 | | |
| 290 | R | 52.5 | Low | 53.3 | Low | 221 Ų | 221 | 106.3 Ų | 106.3 | 83% | 0.834 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | -16.6 | -170.9 | -71.5 | -172.6 | 176.9 | -169.8 | -0 | 115 | D288 | D288-R290 PolarHBondContact O-N 3.45Š|
| 291 | S | 52.7 | Low | 53.9 | Low | 32 Ų | 32 | 103.9 Ų | 103.9 | 22% | 0.224 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 126.8 | -177.3 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | T287 Y293 | T287-S291 CarbonylContact C-O 3.54Å; T287-S291 PolarHBondContact N-O 3.1Å; T287-S291 PolarHBondContact OG1-O 3.26Å; S291-Y293 VanDerWaalsContact CB-CE2 3.48Å |
| 292 | L | 61.1 | Low | 54.6 | Low | 27 Ų | 27 | 99.1 Ų | 99.1 | 14% | 0.141 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 111.5 | 173 | -179.9 | 67 | 0 | 0 | 0 | 107.7 | V284 I294 N302 V303 L304 | V284-L292 HydrophobicContact CG1-CD1 3.7Å; L292-I294 HydrophobicContact CD2-CD1 4.21Å; L292-I294 HydrophobicContact CD2-CG1 4.42Å; L292-I294 HydrophobicContact CG-CG1 4.19Å; L292-N302 WeakPolarHBondContact O-CA 3.25Å; L292-N302 PolarHBondContact O-OD1 3.42Å; L292-V303 HydrophobicContact CB-CB 4.44Å; L292-V303 HydrophobicContact CD2-CB 4.26Å; L292-V303 PolarHBondContact O-N 3.17Å; L292-L304 HydrophobicContact CB-CD1 3.87Å; L292-L304 HydrophobicContact CB-CG 3.84Å |
| 293 | Y | 57.8 | Low | 55.1 | Low | 84 Ų | 84 | 100 Ų | 100 | 33% | 0.329 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 123.9 | 178.3 | -67.2 | -80.3 | 0 | 0 | 0 | 109.8 | L285 T287 S291 M301 N302 | L285-Y293 PolarHBondContact N-O 3.3Å; L285-Y293 PolarHBondContact O-N 3.4Å; T287-Y293 WeakPolarHBondContact OG1-CD2 3.24Å; T287-Y293 WeakPolarHBondContact OG1-CE2 3.07Å; S291-Y293 VanDerWaalsContact CB-CE2 3.48Å; Y293-M301 WeakPolarHBondContact CA-O 3.04Å; Y293-N302 HydrophobicContact CD1-CB 4.08Å; Y293-N302 HydrophobicContact CE1-CB 3.75Å |
| 294 | I | 65.9 | Low | 55.5 | Low | 4 Ų | 4 | 97.4 Ų | 97.4 | 2% | 0.021 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.2 | 175.4 | -53.3 | -168 | 0 | 0 | 0 | 107.4 | L277 V282 V284 L292 T296 M301 V303 | L277-I294 HydrophobicContact CD1-CD1 3.27Å; L277-I294 HydrophobicContact CD1-CG2 4.5Å; V282-I294 HydrophobicContact CG1-CG2 3.22Å; V284-I294 HydrophobicContact CG2-CG2 4.5Å; L292-I294 HydrophobicContact CD2-CD1 4.21Å; L292-I294 HydrophobicContact CD2-CG1 4.42Å; L292-I294 HydrophobicContact CG-CG1 4.19Å; I294-T296 HydrophobicContact CG2-CG2 3.57Å; I294-M301 PolarHBondContact N-O 3.23Å; I294-M301 PolarHBondContact O-N 3.4Å; I294-V303 HydrophobicContact CB-CG2 4.28Å; I294-V303 HydrophobicContact CD1-CB 4.49Å; I294-V303 HydrophobicContact CD1-CG2 3.59Å; I294-V303 HydrophobicContact CG1-CG2 3.7Å |
| 295 | Y | 55.6 | Low | 55.3 | Low | 74 Ų | 74 | 101.5 Ų | 101.5 | 29% | 0.29 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 113.3 | 171.5 | -170.1 | -107.7 | 0 | 0 | 0 | 108.6 | V282 M283 S298 Q299 W300 | V282-Y295 WeakPolarHBondContact CA-O 2.96Å; M283-Y295 PolarHBondContact N-O 3.17Å; M283-Y295 PolarHBondContact O-N 3.38Å; Y295-S298 WeakPolarHBondContact OH-CA 3.36Å; Y295-Q299 WeakPolarHBondContact CA-O 3.06Å; Y295-W300 AromaticContact CD2-CD1 3.82Å; Y295-W300 AromaticContact CD2-CD2 3.66Å; Y295-W300 HydrophobicContact CD2-CD2 3.66Å; Y295-W300 AromaticContact CD2-CE2 3.53Å; Y295-W300 HydrophobicContact CD2-CE3 4.24Å; Y295-W300 AromaticContact CD2-CG 3.86Å; Y295-W300 HydrophobicContact CD2-CG 3.86Å; Y295-W300 HydrophobicContact CD2-CZ2 4.05Å; Y295-W300 AromaticContact CD2-NE1 3.6Å; Y295-W300 HydrophobicContact CE2-CG 4.49Å; Y295-W300 AromaticContact CE2-NE1 3.79Å; Y295-W300 HydrophobicContact CG-CD2 4.36Å; Y295-W300 HydrophobicContact CG-CZ2 4.35Å |
| 296 | T | 57.3 | Low | 55 | Low | 20 Ų | 20 | 100.1 Ų | 100.1 | 12% | 0.123 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 142 | 175.9 | 63.1 | 0 | 0 | 0 | 0 | 108.9 | V282 I294 S298 Q299 M301 | V282-T296 HydrophobicContact CB-CG2 4.33Å; V282-T296 HydrophobicContact CG1-CG2 3.97Å; V282-T296 HydrophobicContact CG2-CG2 3.76Å; I294-T296 HydrophobicContact CG2-CG2 3.57Å; T296-S298 PolarHBondContact O-N 3.4Å; T296-S298 VanDerWaalsContact O-N 3.11Å; T296-Q299 PolarHBondContact N-O 3.46Å; T296-Q299 VanDerWaalsContact N-O 3.1Å; T296-Q299 PolarHBondContact O-N 3.44Å; T296-Q299 VanDerWaalsContact O-O 3.1Å; T296-M301 HydrophobicContact CG2-CE 4.35Å; T296-M301 WeakPolarHBondContact OG1-CE 3.16Å |
| 297 | D | 55.9 | Low | 54.7 | Low | 132 Ų | 132 | 102 Ų | 102 | 71% | 0.706 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 42 | 173.7 | -58.1 | -25 | 0 | 0 | 0 | 114 | Q299 | D297-Q299 VanDerWaalsContact C-N 3.25Å; D297-Q299 PolarHBondContact O-N 3.41Å |
| 298 | S | 52 | Low | 53.9 | Low | 96 Ų | 96 | 110.7 Ų | 110.7 | 67% | 0.671 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 14.6 | 179.6 | -53.2 | 0 | 0 | 0 | 0 | 116.5 | Y295 T296 | Y295-S298 WeakPolarHBondContact OH-CA 3.36Å; T296-S298 PolarHBondContact O-N 3.4Å; T296-S298 VanDerWaalsContact O-N 3.11Å |
| 299 | Q | 52.2 | Low | 52.9 | Low | 140 Ų | 140 | 111.2 Ų | 111.2 | 65% | 0.654 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147 | 177.6 | -63.3 | -173.6 | -12.9 | 0 | 0 | 112 | Y295 T296 D297 | Y295-Q299 WeakPolarHBondContact CA-O 3.06Å; T296-Q299 PolarHBondContact N-O 3.46Å; T296-Q299 VanDerWaalsContact N-O 3.1Å; T296-Q299 PolarHBondContact O-N 3.44Å; T296-Q299 VanDerWaalsContact O-O 3.1Å; D297-Q299 VanDerWaalsContact C-N 3.25Å; D297-Q299 PolarHBondContact O-N 3.41Å |
| 300 | W | 54.5 | Low | 51.9 | Low | 143 Ų | 143 | 109.4 Ų | 109.4 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.8 | 173.7 | -71.6 | 100 | 0 | 0 | 0 | 110.1 | L285 Y295 | L285-W300 HydrophobicContact CB-CZ3 4.31Å; Y295-W300 AromaticContact CD2-CD1 3.82Å; Y295-W300 AromaticContact CD2-CD2 3.66Å; Y295-W300 HydrophobicContact CD2-CD2 3.66Å; Y295-W300 AromaticContact CD2-CE2 3.53Å; Y295-W300 HydrophobicContact CD2-CE3 4.24Å; Y295-W300 AromaticContact CD2-CG 3.86Å; Y295-W300 HydrophobicContact CD2-CG 3.86Å; Y295-W300 HydrophobicContact CD2-CZ2 4.05Å; Y295-W300 AromaticContact CD2-NE1 3.6Å; Y295-W300 HydrophobicContact CE2-CG 4.49Å; Y295-W300 AromaticContact CE2-NE1 3.79Å; Y295-W300 HydrophobicContact CG-CD2 4.36Å; Y295-W300 HydrophobicContact CG-CZ2 4.35Å |
| 301 | M | 58.8 | Low | 51 | Low | 90 Ų | 90 | 103.3 Ų | 103.3 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.3 | 174.6 | -62.3 | -164.5 | -70.3 | 0 | 0 | 110.6 | Y293 I294 T296 | Y293-M301 WeakPolarHBondContact CA-O 3.04Å; I294-M301 PolarHBondContact N-O 3.23Å; I294-M301 PolarHBondContact O-N 3.4Å; T296-M301 HydrophobicContact CG2-CE 4.35Å; T296-M301 WeakPolarHBondContact OG1-CE 3.16Å |
| 302 | N | 60.2 | Low | 50.1 | Low | 41 Ų | 41 | 109.1 Ų | 109.1 | 22% | 0.219 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 115.1 | 168.8 | -171.7 | -8 | 0 | 0 | 0 | 109.2 | L292 Y293 L304 E305 | L292-N302 WeakPolarHBondContact O-CA 3.25Å; L292-N302 PolarHBondContact O-OD1 3.42Å; Y293-N302 HydrophobicContact CD1-CB 4.08Å; Y293-N302 HydrophobicContact CE1-CB 3.75Å; N302-L304 PolarHBondContact OD1-N 3.12Å; N302-E305 HydrophobicContact CB-CB 4.47Å; N302-E305 PolarHBondContact ND2-OE2 3.38Å |
| 303 | V | 62 | Low | 48.9 | Very low | 71 Ų | 71 | 118.4 Ų | 118.4 | 43% | 0.43 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -88.9 | -17.8 | -172.2 | -179.2 | 0 | 0 | 0 | 0 | 112.7 | L292 I294 | L292-V303 HydrophobicContact CB-CB 4.44Å; L292-V303 HydrophobicContact CD2-CB 4.26Å; L292-V303 PolarHBondContact O-N 3.17Å; I294-V303 HydrophobicContact CB-CG2 4.28Å; I294-V303 HydrophobicContact CD1-CB 4.49Å; I294-V303 HydrophobicContact CD1-CG2 3.59Å; I294-V303 HydrophobicContact CG1-CG2 3.7Å |
| 304 | L | 55.7 | Low | 48.4 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 39% | 0.387 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -92.1 | -10.2 | -178.8 | -68.9 | 176.2 | 0 | 0 | 0 | 113.7 | L292 N302 G306 | L292-L304 HydrophobicContact CB-CD1 3.87Å; L292-L304 HydrophobicContact CB-CG 3.84Å; N302-L304 PolarHBondContact OD1-N 3.12Å; L304-G306 VanDerWaalsContact C-N 3.32Å; L304-G306 PolarHBondContact O-N 3.22Å |
| 305 | E | 50.8 | Low | 47.5 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | | | trans | -89.1 | 68.4 | -179.2 | -155.1 | 162.1 | -162.7 | 0 | 0 | 111.4 | N302 R307 | N302-E305 HydrophobicContact CB-CB 4.47Å; N302-E305 PolarHBondContact ND2-OE2 3.38Å; E305-R307 PolarHBondContact O-N 3.11Å |
| 306 | G | 41.9 | Very low | 47 | Very low | 69 Ų | 69 | 129.1 Ų | 129.1 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | | | trans | -77 | 110.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | L304 | L304-G306 VanDerWaalsContact C-N 3.32Å; L304-G306 PolarHBondContact O-N 3.22Å |
| 307 | R | 42.6 | Very low | 46.4 | Very low | 240 Ų | 240 | 135.5 Ų | 135.5 | 91% | 0.906 | 69% | 0.693 | S | S | * | * | | | trans | 86.5 | 99.7 | 169.8 | -59.9 | -179.8 | 172.2 | -177.7 | -2.1 | 116.5 | E305 | E305-R307 PolarHBondContact O-N 3.11Š|
| 308 | R | 34.7 | Very low | 45.8 | Very low | 234 Ų | 234 | 135.8 Ų | 135.8 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | | | | -179 | 157.4 | 100.6 | -93.4 | -178.6 | -163.4 | -159.7 | 4.5 | 110 | | |
| 309 | L | 32.3 | Very low | 45.4 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 69% | 0.694 | S | S | * | * | | | trans | 97.5 | 77.6 | 165.7 | -51.8 | 171.1 | 0 | 0 | 0 | 116.1 | | |
| 310 | H | 32.7 | Very low | 44.9 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 91% | 0.912 | 70% | 0.696 | S | S | * | * | | | | -79.4 | 121.9 | 126.2 | -104.5 | -34.6 | 0 | 0 | 0 | 107.4 | | |
| 311 | P | 35.2 | Very low | 44.2 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 61% | 0.61 | 71% | 0.708 | S | S | * | * | | | trans | -100.4 | 128.8 | 149.5 | 31.7 | -19.7 | 0 | 0 | 0 | 109.1 | | |
| 312 | D | 34.1 | Very low | 43 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | trans | 53.2 | 103.3 | 154.5 | -55.1 | -20.7 | 0 | 0 | 0 | 119.8 | | |
| 313 | T | 33.9 | Very low | 41.4 | Very low | 222 Ų | 222 | 151.1 Ų | 151.1 | 100% | 1.362 | 78% | 0.777 | S | S | * | * | | | | -163.7 | 0 | 118.8 | 12.6 | 0 | 0 | 0 | 0 | 110.9 | | |