| 1 | M | 43.2 | Very low | 51.5 | Low | 247 Ų | 247 | 131.3 Ų | 131.3 | 100% | 1.217 | 89% | 0.891 | S | S | * | * | | | | 0 | 104.8 | 0 | -72.3 | -178.4 | 164.8 | 0 | 0 | 106.3 | | |
| 2 | G | 48.9 | Very low | 51.2 | Low | 88 Ų | 88 | 127 Ų | 127 | 91% | 0.907 | 89% | 0.885 | S | S | * | * | | | | 89 | 135.7 | 106.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 3 | G | 45.3 | Very low | 51.1 | Low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 88% | 0.877 | S | S | * | * | | | cis | -152.1 | 156.8 | 4.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 4 | R | 57.6 | Low | 51.2 | Low | 252 Ų | 252 | 124.6 Ų | 124.6 | 95% | 0.951 | 88% | 0.878 | S | S | * | * | | | | 66.8 | 106.4 | 97.1 | -64.8 | -172.9 | -167.5 | -90 | 0.1 | 114.9 | | |
| 5 | G | 52.5 | Low | 50.9 | Low | 84 Ų | 84 | 120.8 Ų | 120.8 | 87% | 0.866 | 87% | 0.866 | S | S | * | * | | | | 76.1 | 116.9 | 120 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 6 | A | 55.5 | Low | 50.8 | Low | 107 Ų | 107 | 121.9 Ų | 121.9 | 88% | 0.884 | 87% | 0.868 | S | S | * | * | | | trans | -152.9 | 94.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 7 | D | 52.9 | Low | 51 | Low | 172 Ų | 172 | 122.1 Ų | 122.1 | 92% | 0.92 | 86% | 0.862 | S | S | * | * | | | trans | -76.8 | 129.4 | 150.4 | -104.4 | -47.3 | 0 | 0 | 0 | 108.1 | | |
| 8 | A | 53.5 | Low | 50.8 | Low | 105 Ų | 105 | 125.7 Ų | 125.7 | 87% | 0.868 | 86% | 0.863 | S | S | * | * | | | trans | 164.2 | 127.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 9 | G | 49 | Very low | 50.7 | Low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 86% | 0.857 | S | S | * | * | | | cis | 144.4 | 162.8 | 18 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 10 | S | 56.2 | Low | 50.4 | Low | 125 Ų | 125 | 127.2 Ų | 127.2 | 87% | 0.874 | 86% | 0.855 | S | S | * | * | | | trans | 87.7 | 98.4 | 163.5 | -153.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 11 | S | 52.3 | Low | 51 | Low | 123 Ų | 123 | 126 Ų | 126 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | | | trans | -129.5 | 96.2 | 132.8 | 54.2 | 0 | 0 | 0 | 0 | 108.9 | G13 | S11-G13 PolarHBondContact O-N 3.16Š|
| 12 | G | 47 | Very low | 52 | Low | 80 Ų | 80 | 119.8 Ų | 119.8 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -69.7 | 120.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 13 | G | 50.4 | Low | 52.2 | Low | 75 Ų | 75 | 120.7 Ų | 120.7 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | -145.9 | 118.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | S11 | S11-G13 PolarHBondContact O-N 3.16Š|
| 14 | T | 51.8 | Low | 52.2 | Low | 146 Ų | 146 | 121.8 Ų | 121.8 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | | | trans | -74.1 | 127.5 | -165.9 | 45.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 15 | G | 47.5 | Very low | 51.9 | Low | 67 Ų | 67 | 114.8 Ų | 114.8 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | | | trans | 52.9 | 131.8 | 140.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 16 | P | 49.6 | Very low | 51.6 | Low | 139 Ų | 139 | 115.8 Ų | 115.8 | 90% | 0.903 | 81% | 0.809 | S | S | * | * | | | trans | -99.6 | 115.4 | 138.3 | 31.4 | -24.5 | 0 | 0 | 0 | 109.8 | | |
| 17 | T | 53.2 | Low | 51.4 | Low | 125 Ų | 125 | 117.6 Ų | 117.6 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | | | trans | -85.8 | 144.6 | 166.2 | -28.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 18 | E | 48.2 | Very low | 51.2 | Low | 187 Ų | 187 | 120.5 Ų | 120.5 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | 72.8 | 113 | 167.9 | -55.5 | 177.1 | 162.2 | 0 | 0 | 114.2 | | |
| 19 | G | 48 | Very low | 50.8 | Low | 74 Ų | 74 | 119.7 Ų | 119.7 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | cis | 114.4 | 74.1 | 32.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 20 | Y | 46.1 | Very low | 50.7 | Low | 207 Ų | 207 | 120.8 Ų | 120.8 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | -158.1 | 105.7 | 153.7 | -154.2 | -105.8 | 0 | 0 | 0 | 111.1 | | |
| 21 | S | 62.7 | Low | 50.5 | Low | 101 Ų | 101 | 119.8 Ų | 119.8 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 146.8 | 168.8 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 22 | P | 63.4 | Low | 50.6 | Low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 129.5 | 174.3 | 29.6 | -31.7 | 0 | 0 | 0 | 109.6 | A24 | P22-A24 PolarHBondContact O-N 3.1Š|
| 23 | P | 54 | Low | 50.9 | Low | 107 Ų | 107 | 126.2 Ų | 126.2 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 129 | 170.7 | 27.6 | -29.9 | 0 | 0 | 0 | 110.1 | | |
| 24 | A | 45.2 | Very low | 51.1 | Low | 89 Ų | 89 | 131.6 Ų | 131.6 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 155.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P22 S26 | P22-A24 PolarHBondContact O-N 3.1Å; A24-S26 PolarHBondContact O-N 2.92Å |
| 25 | A | 50.5 | Low | 51 | Low | 104 Ų | 104 | 129.4 Ų | 129.4 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -44.2 | 121.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 26 | S | 45.7 | Very low | 51.4 | Low | 106 Ų | 106 | 138.5 Ų | 138.5 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | | | trans | -129.6 | 84.7 | 171.5 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | A24 R28 | A24-S26 PolarHBondContact O-N 2.92Å; S26-R28 PolarHBondContact O-N 3.21Å |
| 27 | T | 53.1 | Low | 51 | Low | 144 Ų | 144 | 136 Ų | 136 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | | | trans | -62.1 | 108.6 | 157.7 | -47.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 28 | R | 48.9 | Very low | 50.8 | Low | 233 Ų | 233 | 133.8 Ų | 133.8 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | | | trans | -127.2 | 123.2 | 165.2 | -159.9 | 175.4 | -172.1 | -150.7 | 1.5 | 111.8 | S26 | S26-R28 PolarHBondContact O-N 3.21Š|
| 29 | A | 43.8 | Very low | 50.7 | Low | 88 Ų | 88 | 128.6 Ų | 128.6 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | trans | -65.7 | 156 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 30 | A | 47.9 | Very low | 51.1 | Low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | 5.9 | 126.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 31 | A | 51.5 | Low | 51.3 | Low | 104 Ų | 104 | 130.6 Ų | 130.6 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | | | trans | -119.6 | 110.5 | 151 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 32 | R | 53.9 | Low | 50.5 | Low | 231 Ų | 231 | 129.8 Ų | 129.8 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | | | trans | -70 | 132.4 | 163.5 | -76.2 | 175.9 | 167.2 | -129.9 | -2.7 | 108.4 | | |
| 33 | A | 53.6 | Low | 50.1 | Low | 106 Ų | 106 | 135.2 Ų | 135.2 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | | | trans | -121.5 | 116.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 34 | K | 55.4 | Low | 50.2 | Low | 189 Ų | 189 | 140.9 Ų | 140.9 | 82% | 0.822 | 84% | 0.841 | S | S | * | * | | | trans | -106.1 | 125.8 | 171.9 | -83.7 | -86.2 | -174 | -177.8 | 0 | 107.5 | | |
| 35 | A | 49.7 | Very low | 50.3 | Low | 100 Ų | 100 | 143.2 Ų | 143.2 | 83% | 0.826 | 84% | 0.842 | S | S | * | * | | | trans | -157.3 | 102.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 36 | R | 54.1 | Low | 50.1 | Low | 257 Ų | 257 | 145.4 Ų | 145.4 | 97% | 0.97 | 84% | 0.844 | S | S | * | * | | | | 61.3 | 101.6 | 67.5 | -102.1 | -168.5 | 176.8 | -143.5 | 0.8 | 115.2 | | |
| 37 | G | 41.7 | Very low | 50.5 | Low | 86 Ų | 86 | 146.3 Ų | 146.3 | 89% | 0.887 | 85% | 0.845 | S | S | * | * | | | trans | 101.3 | 126.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 38 | G | 48.5 | Very low | 50.4 | Low | 80 Ų | 80 | 145.1 Ų | 145.1 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | | | cis | 170.9 | 162.1 | 2.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 39 | G | 47.7 | Very low | 50.2 | Low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | | | trans | 81.5 | 138.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 40 | R | 56.2 | Low | 50.7 | Low | 250 Ų | 250 | 141 Ų | 141 | 94% | 0.943 | 84% | 0.836 | S | S | * | * | | | cis | -151.1 | 128.4 | 8.6 | -69.1 | -179.3 | 176.8 | -151.3 | -3 | 108.5 | | |
| 41 | G | 49.6 | Very low | 50.7 | Low | 74 Ų | 74 | 142.1 Ų | 142.1 | 76% | 0.763 | 84% | 0.835 | S | S | * | * | | | trans | -71.2 | 133 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R43 | G41-R43 PolarHBondContact O-N 3.34Å; G41-R43 VanDerWaalsContact O-N 3.16Å |
| 42 | G | 46.3 | Very low | 50.3 | Low | 83 Ų | 83 | 141.9 Ų | 141.9 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | | | trans | -71.3 | 96.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 43 | R | 54.8 | Low | 50.4 | Low | 232 Ų | 232 | 136.8 Ų | 136.8 | 88% | 0.875 | 83% | 0.827 | S | S | * | * | | | trans | -64.4 | 129.2 | 162.1 | -61.3 | 172.7 | 80.9 | -152.2 | 8 | 107.1 | G41 | G41-R43 PolarHBondContact O-N 3.34Å; G41-R43 VanDerWaalsContact O-N 3.16Å |
| 44 | R | 56.7 | Low | 50.2 | Low | 226 Ų | 226 | 142.9 Ų | 142.9 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | | | | -159.8 | 106.9 | 126.9 | -60.8 | -161.3 | -145.6 | 156.9 | 16 | 112.5 | | |
| 45 | N | 46.3 | Very low | 49.8 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 74% | 0.743 | 83% | 0.826 | S | S | * | * | | | trans | 69.2 | 96.4 | 137.1 | -25.4 | -21.9 | 0 | 0 | 0 | 119.8 | | |
| 46 | T | 46.9 | Very low | 49.8 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 92% | 0.92 | 83% | 0.825 | S | S | * | * | | | | -167 | 136.6 | 129.7 | -8.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 47 | T | 53 | Low | 49.8 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | | | trans | -52.2 | 150.8 | 176.5 | -42.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 48 | P | 53 | Low | 50.4 | Low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | -89.2 | 131.3 | -176.2 | 34.3 | -30.4 | 0 | 0 | 0 | 111.6 | | |
| 49 | S | 42.9 | Very low | 50.7 | Low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -164.1 | 106.8 | 165.5 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 50 | V | 54.2 | Low | 50.9 | Low | 130 Ų | 130 | 139.6 Ų | 139.6 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | | | trans | 64.2 | 129.1 | 148.1 | -157.6 | 0 | 0 | 0 | 0 | 118.7 | S52 | V50-S52 PolarHBondContact O-N 3.12Å; V50-S52 VanDerWaalsContact O-N 3.1Å |
| 51 | P | 47.7 | Very low | 50.8 | Low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | trans | -67.5 | 110.6 | 171.5 | 27.7 | -32.2 | 0 | 0 | 0 | 110.3 | S53 | P51-S53 PolarHBondContact O-N 2.84Š|
| 52 | S | 44.2 | Very low | 51.4 | Low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | -72 | 105.3 | 171.2 | 169.1 | 0 | 0 | 0 | 0 | 109.9 | V50 R54 | V50-S52 PolarHBondContact O-N 3.12Å; V50-S52 VanDerWaalsContact O-N 3.1Å; S52-R54 VanDerWaalsContact C-N 3.27Å; S52-R54 PolarHBondContact O-N 3.41Å |
| 53 | S | 56.1 | Low | 52 | Low | 123 Ų | 123 | 137.7 Ų | 137.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -65.7 | 81 | 163.4 | 42 | 0 | 0 | 0 | 0 | 110.5 | P51 | P51-S53 PolarHBondContact O-N 2.84Š|
| 54 | R | 49.8 | Very low | 52 | Low | 234 Ų | 234 | 131.5 Ų | 131.5 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | trans | -94.7 | 102.7 | 168.2 | -131.3 | 174.5 | -161.7 | -162.1 | 3.3 | 108.8 | S52 A56 | S52-R54 VanDerWaalsContact C-N 3.27Å; S52-R54 PolarHBondContact O-N 3.41Å; R54-A56 PolarHBondContact O-N 3.26Å |
| 55 | G | 47.1 | Very low | 51.9 | Low | 78 Ų | 78 | 124.3 Ų | 124.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 121.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 56 | A | 49.4 | Very low | 52.3 | Low | 97 Ų | 97 | 121 Ų | 121 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 123 | 152.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | R54 | R54-A56 PolarHBondContact O-N 3.26Š|
| 57 | A | 54.6 | Low | 52.5 | Low | 86 Ų | 86 | 120.3 Ų | 120.3 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 135.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R59 | A57-R59 PolarHBondContact O-N 2.94Å; A57-R59 VanDerWaalsContact O-N 3.12Å |
| 58 | P | 53.8 | Low | 52.5 | Low | 123 Ų | 123 | 117.8 Ų | 117.8 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -61 | 122.1 | 167.3 | 25.6 | -30 | 0 | 0 | 0 | 106.8 | S60 | P58-S60 PolarHBondContact O-N 2.96Š|
| 59 | R | 54.8 | Low | 52.7 | Low | 223 Ų | 223 | 120.2 Ų | 120.2 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | | | trans | -54.5 | 104.5 | 172.3 | -70.5 | 176.7 | 171.1 | -109.5 | -0.2 | 106.9 | A57 F61 | A57-R59 PolarHBondContact O-N 2.94Å; A57-R59 VanDerWaalsContact O-N 3.12Å; R59-F61 WeakPolarHBondContact O-CD2 3.42Å; R59-F61 PolarHBondContact O-N 2.82Å |
| 60 | S | 51.3 | Low | 53.6 | Low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | trans | -60.2 | 101.3 | 170.6 | 173.3 | 0 | 0 | 0 | 0 | 106.6 | P58 | P58-S60 PolarHBondContact O-N 2.96Š|
| 61 | F | 55 | Low | 53.8 | Low | 177 Ų | 177 | 127 Ų | 127 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 131.3 | 162.2 | -66.5 | -84.4 | 0 | 0 | 0 | 106.6 | R59 | R59-F61 WeakPolarHBondContact O-CD2 3.42Å; R59-F61 PolarHBondContact O-N 2.82Å |
| 62 | P | 60.5 | Low | 54.7 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 62% | 0.623 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 145.1 | 171.8 | 26 | -32.1 | 0 | 0 | 0 | 108.8 | | |
| 63 | P | 59.1 | Low | 55.5 | Low | 94 Ų | 94 | 131.9 Ų | 131.9 | 61% | 0.61 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 147.9 | 176.4 | 24.4 | -32.7 | 0 | 0 | 0 | 110 | A65 A66 | P63-A65 PolarHBondContact O-N 3.21Å; P63-A66 PolarHBondContact O-N 2.82Å |
| 64 | P | 56.1 | Low | 56.1 | Low | 103 Ų | 103 | 137.2 Ų | 137.2 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -62.2 | -3.5 | -173.4 | 25.4 | -34.8 | 0 | 0 | 0 | 114.4 | A66 M67 | P64-A66 VanDerWaalsContact C-N 3.32Å; P64-A66 PolarHBondContact O-N 3.31Å; P64-M67 WeakPolarHBondContact O-CG 3.44Å |
| 65 | A | 54.7 | Low | 56.9 | Low | 75 Ų | 75 | 135 Ų | 135 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -68.1 | -24.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P63 M67 | P63-A65 PolarHBondContact O-N 3.21Å; A65-M67 VanDerWaalsContact C-N 3.34Å; A65-M67 PolarHBondContact O-N 3.43Å |
| 66 | A | 54.7 | Low | 58 | Low | 70 Ų | 70 | 141.9 Ų | 141.9 | 58% | 0.579 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -79.5 | -10.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P63 P64 | P63-A66 PolarHBondContact O-N 2.82Å; P64-A66 VanDerWaalsContact C-N 3.32Å; P64-A66 PolarHBondContact O-N 3.31Å |
| 67 | M | 49.4 | Very low | 59 | Low | 135 Ų | 135 | 147.9 Ų | 147.9 | 67% | 0.665 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -92.8 | -14.9 | 178.6 | 41.8 | -167.2 | -72 | 0 | 0 | 113.2 | P64 A65 | P64-M67 WeakPolarHBondContact O-CG 3.44Å; A65-M67 VanDerWaalsContact C-N 3.34Å; A65-M67 PolarHBondContact O-N 3.43Å |
| 68 | S | 54.7 | Low | 59.7 | Low | 71 Ų | 71 | 155.3 Ų | 155.3 | 50% | 0.497 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -77.1 | -21 | 178.8 | -54.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 69 | E | 57.5 | Low | 59.8 | Low | 169 Ų | 169 | 156.2 Ų | 156.2 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -76.3 | -27.5 | 178.2 | -86.6 | -127.4 | 134.9 | 0 | 0 | 113.5 | L71 | E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 3.44Å |
| 70 | R | 59.8 | Low | 60 | Low | 231 Ų | 231 | 149.1 Ų | 149.1 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -10.2 | 178.4 | -72.2 | -176.7 | 176.2 | -143.5 | -0.4 | 113.9 | | |
| 71 | L | 59.9 | Low | 60.8 | Low | 147 Ų | 147 | 150.5 Ų | 150.5 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 18.7 | -179.3 | -61.7 | 179.7 | 0 | 0 | 0 | 113.3 | E69 P73 | E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 3.44Å; L71-P73 WeakPolarHBondContact O-CD 3.11Å |
| 72 | R | 67.1 | Low | 61.2 | Low | 201 Ų | 201 | 150.9 Ų | 150.9 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -88.2 | 118.2 | 166.4 | -64.7 | -77.1 | 177.7 | 135.3 | -1.8 | 107.8 | R74 | R72-R74 PolarHBondContact O-N 3.45Š|
| 73 | P | 59.4 | Low | 61.5 | Low | 124 Ų | 124 | 153.4 Ų | 153.4 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | | | trans | -58.3 | 108.8 | 168.5 | -21.8 | 33.2 | 0 | 0 | 0 | 108.5 | L71 K75 | L71-P73 WeakPolarHBondContact O-CD 3.11Å; P73-K75 VanDerWaalsContact C-N 3.35Å; P73-K75 PolarHBondContact O-N 3.04Å |
| 74 | R | 69.6 | Low | 61.6 | Low | 234 Ų | 234 | 154.4 Ų | 154.4 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | -62.7 | 100.8 | 171.9 | -178.3 | 168.5 | 176.9 | 140.8 | -3.6 | 106.8 | R72 R76 | R72-R74 PolarHBondContact O-N 3.45Å; R74-R76 VanDerWaalsContact C-N 3.26Å; R74-R76 PolarHBondContact O-N 3.16Å |
| 75 | K | 66.7 | Low | 62.1 | Low | 189 Ų | 189 | 155 Ų | 155 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | | | trans | -59.2 | 88.2 | 175.4 | -173.9 | 169.9 | -179.3 | 173.6 | 0 | 108.4 | P73 R77 | P73-K75 VanDerWaalsContact C-N 3.35Å; P73-K75 PolarHBondContact O-N 3.04Å; K75-R77 PolarHBondContact O-N 3.1Å |
| 76 | R | 69.8 | Low | 62.6 | Low | 221 Ų | 221 | 158.6 Ų | 158.6 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | | | trans | -64.1 | 115.7 | 164.6 | -72 | -177.9 | 65.7 | -144.9 | -0.1 | 105.5 | R74 R78 | R74-R76 VanDerWaalsContact C-N 3.26Å; R74-R76 PolarHBondContact O-N 3.16Å; R76-R78 PolarHBondContact O-N 3.42Å |
| 77 | R | 70.5 | Confident | 63.3 | Low | 224 Ų | 224 | 161.7 Ų | 161.7 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | -59.1 | 108.8 | 170.1 | -58.5 | -149 | 73.9 | -144.7 | -0.7 | 106.6 | K75 | K75-R77 PolarHBondContact O-N 3.1Š|
| 78 | R | 69.2 | Low | 64.4 | Low | 241 Ų | 241 | 160.2 Ų | 160.2 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | trans | -84 | 114.9 | 167.2 | -168 | 177.2 | -170.1 | 174.3 | 2.1 | 105 | R76 G80 | R76-R78 PolarHBondContact O-N 3.42Å; R78-G80 PolarHBondContact O-N 3.23Å |
| 79 | N | 55.5 | Low | 65 | Low | 143 Ų | 143 | 162.6 Ų | 162.6 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | | | trans | -52.7 | 125.3 | 169.9 | -69 | -11 | 0 | 0 | 0 | 107.6 | N81 | N79-N81 PolarHBondContact O-N 3.42Š|
| 80 | G | 59.9 | Low | 65.4 | Low | 74 Ų | 74 | 162.9 Ų | 162.9 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | | | trans | -72.3 | 117.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | R78 | R78-G80 PolarHBondContact O-N 3.23Š|
| 81 | N | 68.1 | Low | 65.5 | Low | 142 Ų | 142 | 157.4 Ų | 157.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | -97.4 | 115.8 | 159.9 | 62.4 | -23.1 | 0 | 0 | 0 | 106.9 | N79 E83 | N79-N81 PolarHBondContact O-N 3.42Å; N81-E83 PolarHBondContact O-N 2.86Å |
| 82 | E | 63.3 | Low | 66.2 | Low | 184 Ų | 184 | 160 Ų | 160 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | trans | -78.7 | 38.9 | -175.5 | 60 | -146.2 | 116.4 | 0 | 0 | 113.6 | | |
| 83 | E | 65.5 | Low | 66.2 | Low | 150 Ų | 150 | 160.4 Ų | 160.4 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | trans | -115.1 | 73.4 | 177.3 | -115.7 | 139 | 113.2 | 0 | 0 | 111.3 | N81 N85 | N81-E83 PolarHBondContact O-N 2.86Å; E83-N85 PolarHBondContact O-N 2.9Å; E83-N85 PolarHBondContact O-ND2 3.18Å |
| 84 | D | 63.1 | Low | 66.5 | Low | 114 Ų | 114 | 160.3 Ų | 160.3 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | | | trans | -55.5 | 73.6 | 158.8 | -164.8 | -109.4 | 0 | 0 | 0 | 110.9 | H86 | D84-H86 VanDerWaalsContact CG-CD2 3.48Å; D84-H86 PolarHBondContact O-N 3.25Å; D84-H86 IonicContact OD1-CD2 3.77Å; D84-H86 PolarHBondContact OD1-CD2 2.83Å; D84-H86 IonicContact OD1-CE1 3Å; D84-H86 IonicContact OD1-CG 2.91Å; D84-H86 IonicContact OD1-ND1 3.48Å; D84-H86 IonicContact OD1-NE2 3.46Å; D84-H86 PolarHBondContact OD1-NE2 3.29Å; D84-H86 IonicContact OD2-CD2 3.91Å; D84-H86 PolarHBondContact OD2-CD2 2.76Å; D84-H86 IonicContact OD2-CE1 3.38Å; D84-H86 PolarHBondContact OD2-CE1 3.13Å; D84-H86 IonicContact OD2-CG 2.84Å; D84-H86 IonicContact OD2-ND1 3.21Å; D84-H86 PolarHBondContact OD2-ND1 2.96Å; D84-H86 IonicContact OD2-NE2 3.76Å; D84-H86 PolarHBondContact OD2-NE2 3.08Å |
| 85 | N | 64.9 | Low | 66.2 | Low | 115 Ų | 115 | 153.4 Ų | 153.4 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | | | trans | -86 | 74.4 | 165.6 | -72.7 | -78.5 | 0 | 0 | 0 | 108 | E83 L87 | E83-N85 PolarHBondContact O-N 2.9Å; E83-N85 PolarHBondContact O-ND2 3.18Å; N85-L87 PolarHBondContact O-N 3.18Å |
| 86 | H | 65 | Low | 66.2 | Low | 151 Ų | 151 | 155.7 Ų | 155.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | -67.7 | 61.2 | 163.4 | -69.6 | -29 | 0 | 0 | 0 | 110.8 | D84 | D84-H86 VanDerWaalsContact CG-CD2 3.48Å; D84-H86 PolarHBondContact O-N 3.25Å; D84-H86 IonicContact OD1-CD2 3.77Å; D84-H86 PolarHBondContact OD1-CD2 2.83Å; D84-H86 IonicContact OD1-CE1 3Å; D84-H86 IonicContact OD1-CG 2.91Å; D84-H86 IonicContact OD1-ND1 3.48Å; D84-H86 IonicContact OD1-NE2 3.46Å; D84-H86 PolarHBondContact OD1-NE2 3.29Å; D84-H86 IonicContact OD2-CD2 3.91Å; D84-H86 PolarHBondContact OD2-CD2 2.76Å; D84-H86 IonicContact OD2-CE1 3.38Å; D84-H86 PolarHBondContact OD2-CE1 3.13Å; D84-H86 IonicContact OD2-CG 2.84Å; D84-H86 IonicContact OD2-ND1 3.21Å; D84-H86 PolarHBondContact OD2-ND1 2.96Å; D84-H86 IonicContact OD2-NE2 3.76Å; D84-H86 PolarHBondContact OD2-NE2 3.08Å |
| 87 | L | 70.9 | Confident | 65.2 | Low | 135 Ų | 135 | 152 Ų | 152 | 71% | 0.707 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 123.8 | 159.8 | -62 | -177.5 | 0 | 0 | 0 | 107.1 | N85 | N85-L87 PolarHBondContact O-N 3.18Š|
| 88 | P | 71.6 | Confident | 64.8 | Low | 105 Ų | 105 | 146.9 Ų | 146.9 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 143.6 | 170.3 | 24.7 | -32.4 | 0 | 0 | 0 | 108.5 | Q90 | P88-Q90 PolarHBondContact O-N 3.34Š|
| 89 | P | 66.7 | Low | 64.3 | Low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 116.2 | -178.9 | 20.3 | -30.8 | 0 | 0 | 0 | 108.8 | T91 | P89-T91 PolarHBondContact O-N 2.93Š|
| 90 | Q | 67.6 | Low | 64.4 | Low | 174 Ų | 174 | 141.8 Ų | 141.8 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | trans | -56.5 | 107.7 | -179.4 | -83.3 | -115.7 | -30.5 | 0 | 0 | 109.2 | P88 K92 | P88-Q90 PolarHBondContact O-N 3.34Å; Q90-K92 PolarHBondContact O-N 3.02Å |
| 91 | T | 61.3 | Low | 64 | Low | 117 Ų | 117 | 146.1 Ų | 146.1 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | | | trans | -62.9 | 100 | 177.7 | -51.9 | 0 | 0 | 0 | 0 | 109.1 | P89 R93 | P89-T91 PolarHBondContact O-N 2.93Å; T91-R93 HydrophobicContact CG2-CB 4.14Å; T91-R93 HydrophobicContact CG2-CG 3.85Å; T91-R93 PolarHBondContact O-N 3.35Å |
| 92 | K | 74.1 | Confident | 63.5 | Low | 200 Ų | 200 | 146.7 Ų | 146.7 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | | | trans | -70.6 | 74.3 | 168.4 | -71.6 | -86.2 | -170.7 | 176.1 | 0 | 109.2 | Q90 | Q90-K92 PolarHBondContact O-N 3.02Š|
| 93 | R | 68.4 | Low | 63.3 | Low | 210 Ų | 210 | 142.2 Ų | 142.2 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | | | trans | -131.7 | 58.6 | 166.2 | -62.6 | -175.3 | 84.5 | -179.3 | 5.5 | 109.5 | T91 S95 | T91-R93 HydrophobicContact CG2-CB 4.14Å; T91-R93 HydrophobicContact CG2-CG 3.85Å; T91-R93 PolarHBondContact O-N 3.35Å; R93-S95 PolarHBondContact O-N 3.26Å |
| 94 | S | 65.1 | Low | 62.9 | Low | 122 Ų | 122 | 146 Ų | 146 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | trans | -79.7 | 95 | 154 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 95 | S | 62.9 | Low | 62.7 | Low | 90 Ų | 90 | 148 Ų | 148 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | | | trans | -126.9 | 91.2 | 156 | 67.3 | 0 | 0 | 0 | 0 | 107.2 | R93 N97 | R93-S95 PolarHBondContact O-N 3.26Å; S95-N97 PolarHBondContact O-N 3.25Å |
| 96 | R | 66.5 | Low | 62.4 | Low | 237 Ų | 237 | 148.6 Ų | 148.6 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | | | trans | -55.6 | 105.8 | 154.9 | -90.4 | 175.6 | 165.4 | 156.6 | -5.1 | 107.1 | | |
| 97 | N | 48.6 | Very low | 61.7 | Low | 142 Ų | 142 | 148.5 Ų | 148.5 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -146 | 93.4 | 157.2 | -97.6 | -32.2 | 0 | 0 | 0 | 107.2 | S95 V99 | S95-N97 PolarHBondContact O-N 3.25Å; N97-V99 PolarHBondContact O-N 3.41Å |
| 98 | P | 61.7 | Low | 61.2 | Low | 118 Ų | 118 | 148.3 Ų | 148.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | trans | -84.6 | 95 | 165.2 | 31.9 | -22.8 | 0 | 0 | 0 | 106.3 | | |
| 99 | V | 58.9 | Low | 60.6 | Low | 126 Ų | 126 | 146.9 Ų | 146.9 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | | | trans | 172.4 | 129.3 | 161.4 | 143.8 | 0 | 0 | 0 | 0 | 108 | N97 | N97-V99 PolarHBondContact O-N 3.41Š|
| 100 | L | 58.4 | Low | 59.9 | Low | 150 Ų | 150 | 147.6 Ų | 147.6 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | 86.7 | 68.8 | 176.1 | -55.4 | 159.1 | 0 | 0 | 0 | 116.2 | | |
| 101 | Q | 52.1 | Low | 59.2 | Low | 166 Ų | 166 | 144.5 Ų | 144.5 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -127.3 | 27 | 156.6 | -155.6 | 95.9 | 67.3 | 0 | 0 | 112.5 | | |
| 102 | D | 56.2 | Low | 59.2 | Low | 153 Ų | 153 | 147 Ų | 147 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -112 | 14.5 | 177.4 | -50.7 | -18.1 | 0 | 0 | 0 | 111.9 | | |
| 103 | S | 60.3 | Low | 58.3 | Low | 91 Ų | 91 | 147.8 Ų | 147.8 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 3.8 | -174.4 | -171.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 104 | W | 56.9 | Low | 58 | Low | 230 Ų | 230 | 144.9 Ų | 144.9 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 4.7 | -179.9 | -63.8 | 101 | 0 | 0 | 0 | 114.2 | T106 | W104-T106 VanDerWaalsContact C-N 3.31Å; W104-T106 PolarHBondContact O-N 3.02Å |
| 105 | D | 58 | Low | 57.6 | Low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | -94.4 | 49.1 | -174.4 | -122.6 | 18.7 | 0 | 0 | 0 | 112.6 | E107 | D105-E107 PolarHBondContact O-N 3.5Š|
| 106 | T | 59.2 | Low | 57.4 | Low | 129 Ų | 129 | 148.9 Ų | 148.9 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -99.3 | 65.9 | 171.5 | -41.6 | 0 | 0 | 0 | 0 | 110.1 | W104 | W104-T106 VanDerWaalsContact C-N 3.31Å; W104-T106 PolarHBondContact O-N 3.02Å |
| 107 | E | 51.3 | Low | 56.6 | Low | 148 Ų | 148 | 146 Ų | 146 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | -101.2 | 103.4 | 164.6 | -160.6 | -165.1 | 157 | 0 | 0 | 109.2 | D105 V109 | D105-E107 PolarHBondContact O-N 3.5Å; E107-V109 VanDerWaalsContact C-N 3.28Å; E107-V109 HydrophobicContact CB-CG2 4.36Å; E107-V109 HydrophobicContact CG-CG1 4.45Å; E107-V109 HydrophobicContact CG-CG2 3.76Å; E107-V109 PolarHBondContact O-N 2.83Å; E107-V109 VanDerWaalsContact OE1-CG1 3.27Å; E107-V109 WeakPolarHBondContact OE1-CG1 3.25Å; E107-V109 WeakPolarHBondContact OE1-CG2 3.43Å |
| 108 | T | 60.2 | Low | 57 | Low | 132 Ų | 132 | 146 Ų | 146 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -77.5 | 78.5 | 168.2 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 109 | V | 57.3 | Low | 56.6 | Low | 74 Ų | 74 | 150.8 Ų | 150.8 | 45% | 0.448 | 77% | 0.774 | S | S | . | * | | | trans | -109.8 | 123 | 163.6 | -93.8 | 0 | 0 | 0 | 0 | 109 | E107 V111 | E107-V109 VanDerWaalsContact C-N 3.28Å; E107-V109 HydrophobicContact CB-CG2 4.36Å; E107-V109 HydrophobicContact CG-CG1 4.45Å; E107-V109 HydrophobicContact CG-CG2 3.76Å; E107-V109 PolarHBondContact O-N 2.83Å; E107-V109 VanDerWaalsContact OE1-CG1 3.27Å; E107-V109 WeakPolarHBondContact OE1-CG1 3.25Å; E107-V109 WeakPolarHBondContact OE1-CG2 3.43Å; V109-V111 HydrophobicContact CB-CG2 4.35Å; V109-V111 HydrophobicContact CG2-CG2 4.07Å; V109-V111 PolarHBondContact O-N 2.95Å |
| 110 | P | 53.4 | Low | 56.9 | Low | 136 Ų | 136 | 152.1 Ų | 152.1 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -70.6 | 87.6 | 166.8 | 29 | -30.7 | 0 | 0 | 0 | 108.4 | L112 | P110-L112 PolarHBondContact O-N 2.9Š|
| 111 | V | 51.4 | Low | 56.5 | Low | 110 Ų | 110 | 155.9 Ų | 155.9 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | | | trans | -72.7 | 103.8 | 167.3 | 176.8 | 0 | 0 | 0 | 0 | 107.4 | V109 R113 | V109-V111 HydrophobicContact CB-CG2 4.35Å; V109-V111 HydrophobicContact CG2-CG2 4.07Å; V109-V111 PolarHBondContact O-N 2.95Å; V111-R113 PolarHBondContact O-N 2.93Å |
| 112 | L | 61.9 | Low | 56.4 | Low | 169 Ų | 169 | 150.9 Ų | 150.9 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | | | trans | -60 | 107.5 | 166.5 | 178 | 61.8 | 0 | 0 | 0 | 108.2 | P110 N114 | P110-L112 PolarHBondContact O-N 2.9Å; L112-N114 PolarHBondContact O-N 2.83Å |
| 113 | R | 55.6 | Low | 56 | Low | 217 Ų | 217 | 151.2 Ų | 151.2 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | | | trans | -59.8 | 115 | -179.7 | -71 | -87.4 | -176 | 166.6 | -2 | 110.3 | V111 S115 | V111-R113 PolarHBondContact O-N 2.93Å; R113-S115 PolarHBondContact O-N 3.29Å |
| 114 | N | 61.8 | Low | 55.9 | Low | 148 Ų | 148 | 156.4 Ų | 156.4 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | -82.3 | 107 | 158.2 | -174.2 | -55.2 | 0 | 0 | 0 | 108.2 | L112 K116 | L112-N114 PolarHBondContact O-N 2.83Å; N114-K116 PolarHBondContact OD1-N 3Å |
| 115 | S | 57.7 | Low | 55.4 | Low | 112 Ų | 112 | 149.6 Ų | 149.6 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | -108.2 | 76 | 173 | 63 | 0 | 0 | 0 | 0 | 109.7 | R113 | R113-S115 PolarHBondContact O-N 3.29Š|
| 116 | K | 58.1 | Low | 54.4 | Low | 184 Ų | 184 | 152.1 Ų | 152.1 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | -156.4 | 74.6 | 166 | -153 | 167.7 | -175.8 | 166.5 | 0 | 114.7 | N114 | N114-K116 PolarHBondContact OD1-N 3Š|
| 117 | E | 49.5 | Very low | 54.4 | Low | 178 Ų | 178 | 151.7 Ų | 151.7 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -172.5 | 74.6 | 142.3 | 48.4 | -174.5 | -169.6 | 0 | 0 | 112.6 | R119 | E117-R119 PolarHBondContact O-N 3.4Š|
| 118 | N | 56.4 | Low | 53.8 | Low | 142 Ų | 142 | 151.1 Ų | 151.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | | | trans | -75.5 | 105.7 | 143.7 | 170.4 | 2.9 | 0 | 0 | 0 | 106.9 | L120 | N118-L120 PolarHBondContact OD1-N 3.16Š|
| 119 | R | 55 | Low | 53 | Low | 217 Ų | 217 | 149.8 Ų | 149.8 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | | | trans | -137.8 | 66.6 | 158.8 | -122.1 | 169.8 | 68.3 | -116.8 | 2.8 | 110.5 | E117 R121 | E117-R119 PolarHBondContact O-N 3.4Å; R119-R121 VanDerWaalsContact C-N 3.35Å; R119-R121 PolarHBondContact O-N 2.93Å |
| 120 | L | 65.1 | Low | 52.5 | Low | 155 Ų | 155 | 152.3 Ų | 152.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | | | trans | -62.2 | 96.4 | 155.9 | -65.9 | 169.9 | 0 | 0 | 0 | 109 | N118 | N118-L120 PolarHBondContact OD1-N 3.16Š|
| 121 | R | 49.3 | Very low | 52 | Low | 229 Ų | 229 | 149.7 Ų | 149.7 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -160.6 | 123.5 | 152.6 | -157.1 | 157.1 | -77.6 | -97.1 | 1.3 | 108.8 | R119 | R119-R121 VanDerWaalsContact C-N 3.35Å; R119-R121 PolarHBondContact O-N 2.93Å |
| 122 | G | 49.2 | Very low | 51.9 | Low | 61 Ų | 61 | 149.9 Ų | 149.9 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | | | trans | -66.3 | -170.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 123 | N | 48.9 | Very low | 51.2 | Low | 160 Ų | 160 | 148.8 Ų | 148.8 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | | -176.1 | 125.5 | 121.4 | -83.8 | -11.6 | 0 | 0 | 0 | 109.1 | | |
| 124 | K | 57.4 | Low | 50.8 | Low | 199 Ų | 199 | 144.2 Ų | 144.2 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | | | trans | -65 | 137.5 | 162.3 | 60.1 | -174.9 | -173.2 | -70.7 | 0 | 109.2 | | |
| 125 | A | 45.7 | Very low | 50 | Low | 87 Ų | 87 | 141 Ų | 141 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | | | trans | 169.3 | 123.5 | 142.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 126 | F | 38.9 | Very low | 49.3 | Very low | 207 Ų | 207 | 139.5 Ų | 139.5 | 91% | 0.908 | 81% | 0.811 | S | S | * | * | | | trans | 59.7 | 134.9 | 137 | -72.1 | -85 | 0 | 0 | 0 | 124.1 | | |
| 127 | C | 59.2 | Low | 48.9 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | | | trans | -64.6 | 146.1 | 162.4 | -59 | 0 | 0 | 0 | 0 | 112 | | |
| 128 | V | 37.5 | Very low | 48.8 | Very low | 137 Ų | 137 | 134 Ų | 134 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | | | trans | -178.8 | 128.3 | 142.2 | 142.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 129 | S | 43.7 | Very low | 48.6 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | | | trans | 67.6 | 118.9 | 152.1 | -62.3 | 0 | 0 | 0 | 0 | 124.5 | | |
| 130 | S | 46.9 | Very low | 48.5 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | | 60.6 | 127.1 | 122.1 | -58.6 | 0 | 0 | 0 | 0 | 122.7 | | |
| 131 | G | 42.9 | Very low | 47.6 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | 178.8 | 92.1 | 156 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 132 | S | 48.7 | Very low | 47.4 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -77.4 | 156.1 | 174.8 | -63.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 133 | D | 47.1 | Very low | 47.4 | Very low | 147 Ų | 147 | 122.1 Ų | 122.1 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | | | trans | 61.6 | 117.6 | 152.3 | -92.7 | -74.6 | 0 | 0 | 0 | 121 | | |
| 134 | S | 47.3 | Very low | 47.5 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | | 152.6 | 131.4 | 108.9 | -63 | 0 | 0 | 0 | 0 | 111.8 | | |
| 135 | G | 46.2 | Very low | 47.5 | Very low | 80 Ų | 80 | 116.3 Ų | 116.3 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | 135.3 | 91.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 136 | G | 42.3 | Very low | 47.9 | Very low | 82 Ų | 82 | 119.9 Ų | 119.9 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | | 80.9 | 102.6 | 127.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 137 | S | 50 | Low | 48.9 | Very low | 126 Ų | 126 | 117.3 Ų | 117.3 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | | | trans | -62.7 | 142.1 | 162 | -52.5 | 0 | 0 | 0 | 0 | 113 | | |
| 138 | S | 46.8 | Very low | 48.5 | Very low | 120 Ų | 120 | 115.9 Ų | 115.9 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | | | trans | -157.5 | 110.4 | 138.4 | 41.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 139 | S | 52.7 | Low | 49.8 | Very low | 107 Ų | 107 | 114.9 Ų | 114.9 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -70.1 | 129 | 168.1 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 140 | S | 53.2 | Low | 49.9 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | 28.8 | 119.9 | 142.5 | 59.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 141 | S | 45.4 | Very low | 50.6 | Low | 112 Ų | 112 | 121.7 Ų | 121.7 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | -175.3 | 106.1 | 138.9 | 41.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 142 | S | 45.5 | Very low | 51.1 | Low | 112 Ų | 112 | 122.1 Ų | 122.1 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | | 91.7 | 114.9 | 91.2 | -67.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 143 | S | 49.4 | Very low | 51.4 | Low | 114 Ų | 114 | 121.2 Ų | 121.2 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | 71.4 | 115.9 | 136.5 | -47.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 144 | S | 50.6 | Low | 51.3 | Low | 113 Ų | 113 | 117.2 Ų | 117.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | | 161.2 | 103.5 | 107.4 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 145 | S | 57.3 | Low | 52 | Low | 123 Ų | 123 | 116.6 Ų | 116.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -133.5 | 90.5 | 157.4 | -70 | 0 | 0 | 0 | 0 | 108.7 | N147 | S145-N147 PolarHBondContact O-N 3.14Å; S145-N147 VanDerWaalsContact O-N 3.11Å |
| 146 | I | 54.3 | Low | 51.9 | Low | 162 Ų | 162 | 121 Ų | 121 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | trans | -38.9 | 105.7 | 161 | 38.9 | 161.9 | 0 | 0 | 0 | 111 | S148 | I146-S148 PolarHBondContact O-N 3.42Š|
| 147 | N | 59.2 | Low | 52.2 | Low | 153 Ų | 153 | 121.1 Ų | 121.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -90.9 | 96.9 | 161.1 | -159.1 | -33.1 | 0 | 0 | 0 | 106.9 | S145 P149 | S145-N147 PolarHBondContact O-N 3.14Å; S145-N147 VanDerWaalsContact O-N 3.11Å; N147-P149 WeakPolarHBondContact O-CD 3.29Å |
| 148 | S | 51.9 | Low | 52.3 | Low | 90 Ų | 90 | 120 Ų | 120 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | trans | -64.7 | 119.7 | 169.9 | -63.7 | 0 | 0 | 0 | 0 | 108.6 | I146 D150 | I146-S148 PolarHBondContact O-N 3.42Å; S148-D150 PolarHBondContact O-N 3.04Å; S148-D150 VanDerWaalsContact O-N 3.07Å |
| 149 | P | 65.1 | Low | 52.7 | Low | 117 Ų | 117 | 120.7 Ų | 120.7 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | trans | -73.2 | 104.2 | 167.3 | 28.4 | -29.5 | 0 | 0 | 0 | 108.3 | N147 R151 | N147-P149 WeakPolarHBondContact O-CD 3.29Å; P149-R151 VanDerWaalsContact C-N 3.32Å; P149-R151 PolarHBondContact O-N 3.47Å |
| 150 | D | 46.1 | Very low | 52.1 | Low | 152 Ų | 152 | 120.8 Ų | 120.8 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -65.8 | 95.5 | 161.9 | -157.4 | -89.3 | 0 | 0 | 0 | 107.4 | S148 A152 | S148-D150 PolarHBondContact O-N 3.04Å; S148-D150 VanDerWaalsContact O-N 3.07Å; D150-A152 VanDerWaalsContact C-N 3.3Å; D150-A152 PolarHBondContact O-N 2.96Å; D150-A152 VanDerWaalsContact O-N 3.11Å |
| 151 | R | 60.8 | Low | 52 | Low | 220 Ų | 220 | 124.4 Ų | 124.4 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | | | trans | -78.4 | 86.9 | 170.1 | -110.7 | -172.1 | 174.5 | 156.1 | -1.9 | 107.4 | P149 S153 | P149-R151 VanDerWaalsContact C-N 3.32Å; P149-R151 PolarHBondContact O-N 3.47Å; R151-S153 PolarHBondContact O-N 2.92Å |
| 152 | A | 53 | Low | 52.1 | Low | 91 Ų | 91 | 124.9 Ų | 124.9 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | -67 | 72.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | D150 G154 | D150-A152 VanDerWaalsContact C-N 3.3Å; D150-A152 PolarHBondContact O-N 2.96Å; D150-A152 VanDerWaalsContact O-N 3.11Å; A152-G154 PolarHBondContact O-N 3.39Å; A152-G154 VanDerWaalsContact O-N 3.09Å |
| 153 | S | 55.9 | Low | 52.3 | Low | 94 Ų | 94 | 129 Ų | 129 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | | | trans | -77.7 | 83.2 | 164.7 | -95.7 | 0 | 0 | 0 | 0 | 107.6 | R151 | R151-S153 PolarHBondContact O-N 2.92Š|
| 154 | G | 43.8 | Very low | 51.9 | Low | 64 Ų | 64 | 128.1 Ų | 128.1 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | | | trans | -70.4 | 133.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | A152 | A152-G154 PolarHBondContact O-N 3.39Å; A152-G154 VanDerWaalsContact O-N 3.09Å |
| 155 | P | 62.5 | Low | 51.8 | Low | 106 Ų | 106 | 126.8 Ų | 126.8 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | | | trans | -70.9 | 143.8 | 162.1 | 34.3 | -30 | 0 | 0 | 0 | 107 | | |
| 156 | E | 45.1 | Very low | 51.5 | Low | 174 Ų | 174 | 126.2 Ų | 126.2 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | 159 | 91.7 | 151.3 | -79.9 | -31.9 | 81 | 0 | 0 | 108.5 | | |
| 157 | G | 48.3 | Very low | 50.8 | Low | 84 Ų | 84 | 123.9 Ų | 123.9 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | | | trans | -143.4 | 35.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 158 | S | 52.3 | Low | 50.6 | Low | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -80.9 | 124.6 | 172.6 | 168.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 159 | L | 53.8 | Low | 50.5 | Low | 136 Ų | 136 | 125.5 Ų | 125.5 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | | | trans | 65 | 100.4 | 149.4 | -160 | 72.4 | 0 | 0 | 0 | 118.2 | | |
| 160 | S | 41.2 | Very low | 49.9 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -144.8 | 83.6 | 137.2 | -54.1 | 0 | 0 | 0 | 0 | 109.4 | T162 | S160-T162 VanDerWaalsContact C-N 3.32Å; S160-T162 PolarHBondContact O-N 3.06Å |
| 161 | Q | 51 | Low | 50.1 | Low | 186 Ų | 186 | 124.1 Ų | 124.1 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -71.4 | 95.1 | 153 | -70.8 | -153 | 62.9 | 0 | 0 | 107.3 | | |
| 162 | T | 47.5 | Very low | 49.4 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -103 | 108.1 | 165.8 | 34.6 | 0 | 0 | 0 | 0 | 108.1 | S160 A164 | S160-T162 VanDerWaalsContact C-N 3.32Å; S160-T162 PolarHBondContact O-N 3.06Å; T162-A164 PolarHBondContact O-N 3Å |
| 163 | M | 48.3 | Very low | 49.6 | Very low | 199 Ų | 199 | 121.5 Ų | 121.5 | 98% | 0.98 | 77% | 0.773 | S | S | * | * | | | trans | -49.7 | 121.4 | 170 | -84.1 | -175.1 | 171.3 | 0 | 0 | 110.3 | | |
| 164 | A | 41.4 | Very low | 49.3 | Very low | 95 Ų | 95 | 121.7 Ų | 121.7 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -132.5 | 97.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | T162 S166 | T162-A164 PolarHBondContact O-N 3Å; A164-S166 PolarHBondContact O-N 3.48Å |
| 165 | G | 49.9 | Very low | 49.9 | Very low | 84 Ų | 84 | 122.2 Ų | 122.2 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | | | trans | -66.7 | 125 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 166 | S | 49.5 | Very low | 49.3 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -154.1 | 117.9 | 150.7 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | A164 | A164-S166 PolarHBondContact O-N 3.48Š|
| 167 | S | 40.7 | Very low | 49.9 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | trans | 56.5 | 127 | 151.3 | -72.2 | 0 | 0 | 0 | 0 | 121.9 | N169 | S167-N169 PolarHBondContact O-N 2.91Š|
| 168 | P | 53.3 | Low | 50.4 | Low | 127 Ų | 127 | 123.8 Ų | 123.8 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -95.6 | 83.4 | 176 | 37.3 | -28.1 | 0 | 0 | 0 | 110.9 | | |
| 169 | N | 51 | Low | 50.7 | Low | 149 Ų | 149 | 122.7 Ų | 122.7 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | | | trans | -168.8 | 86 | 154 | -135.3 | -69.4 | 0 | 0 | 0 | 113.2 | S167 | S167-N169 PolarHBondContact O-N 2.91Š|
| 170 | T | 51.8 | Low | 51.1 | Low | 120 Ų | 120 | 122.7 Ų | 122.7 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | | | trans | -138 | 135.9 | 145.9 | 55.9 | 0 | 0 | 0 | 0 | 106.5 | Q172 | T170-Q172 VanDerWaalsContact C-N 3.26Å; T170-Q172 PolarHBondContact O-N 3.46Å |
| 171 | P | 50 | Low | 52.2 | Low | 121 Ų | 121 | 120.8 Ų | 120.8 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | trans | -63 | 99.8 | 166.3 | 24.3 | -28.8 | 0 | 0 | 0 | 106.3 | P173 | P171-P173 WeakPolarHBondContact O-CD 3.27Š|
| 172 | Q | 46.8 | Very low | 53.4 | Low | 142 Ų | 142 | 119.1 Ų | 119.1 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | | | trans | -55.6 | 123.4 | 174.3 | -147.4 | -147.5 | 10.8 | 0 | 0 | 106.8 | T170 V174 | T170-Q172 VanDerWaalsContact C-N 3.26Å; T170-Q172 PolarHBondContact O-N 3.46Å; Q172-V174 PolarHBondContact O-N 3.19Å |
| 173 | P | 57.1 | Low | 55.3 | Low | 113 Ų | 113 | 115.6 Ų | 115.6 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | | | trans | -62.5 | 112.5 | 170.1 | 24.1 | -29.7 | 0 | 0 | 0 | 106.4 | P171 P175 | P171-P173 WeakPolarHBondContact O-CD 3.27Å; P173-P175 VanDerWaalsContact O-CD 3.25Å; P173-P175 WeakPolarHBondContact O-CD 3.22Å; P173-P175 VanDerWaalsContact O-N 3.11Å |
| 174 | V | 49.8 | Very low | 57.4 | Low | 99 Ų | 99 | 111 Ų | 111 | 60% | 0.6 | 69% | 0.688 | S | S | * | * | | | trans | -45.1 | 116.4 | 178.8 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | Q172 E176 | Q172-V174 PolarHBondContact O-N 3.19Å; V174-E176 HydrophobicContact CG1-CB 3.71Å; V174-E176 HydrophobicContact CG1-CG 3.67Å; V174-E176 PolarHBondContact O-N 2.82Å; V174-E176 VanDerWaalsContact O-N 3.1Å |
| 175 | P | 57 | Low | 59.8 | Low | 74 Ų | 74 | 113.8 Ų | 113.8 | 48% | 0.481 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -68.8 | -4.3 | -179.9 | -21.4 | 33.3 | 0 | 0 | 0 | 114.5 | P173 Q177 S178 | P173-P175 VanDerWaalsContact O-CD 3.25Å; P173-P175 WeakPolarHBondContact O-CD 3.22Å; P173-P175 VanDerWaalsContact O-N 3.11Å; P175-Q177 PolarHBondContact O-N 3.5Å; P175-S178 PolarHBondContact O-N 2.89Å; P175-S178 VanDerWaalsContact O-N 3.16Å |
| 176 | E | 50.4 | Low | 61.9 | Low | 161 Ų | 161 | 116.2 Ų | 116.2 | 75% | 0.752 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -63.2 | -18.1 | -165.1 | -73.3 | -155.9 | 133 | 0 | 0 | 115.7 | V174 | V174-E176 HydrophobicContact CG1-CB 3.71Å; V174-E176 HydrophobicContact CG1-CG 3.67Å; V174-E176 PolarHBondContact O-N 2.82Å; V174-E176 VanDerWaalsContact O-N 3.1Å |
| 177 | Q | 57.3 | Low | 64 | Low | 156 Ų | 156 | 116.6 Ų | 116.6 | 73% | 0.729 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -105.7 | -18.2 | 178.3 | -62.2 | -179 | 37.5 | 0 | 0 | 113.3 | P175 C181 | P175-Q177 PolarHBondContact O-N 3.5Å; Q177-C181 VanDerWaalsContact O-CB 3.29Å; Q177-C181 WeakPolarHBondContact O-CB 2.97Å; Q177-C181 PolarHBondContact O-N 3.34Å; Q177-C181 VanDerWaalsContact O-N 3.08Å; Q177-C181 PolarHBondContact O-SG 3.47Å |
| 178 | S | 57.5 | Low | 66.6 | Low | 81 Ų | 81 | 115 Ų | 115 | 57% | 0.566 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.1 | -41.5 | -172.1 | -51.4 | 0 | 0 | 0 | 0 | 112 | P175 Q182 | P175-S178 PolarHBondContact O-N 2.89Å; P175-S178 VanDerWaalsContact O-N 3.16Å; S178-Q182 PolarHBondContact O-N 2.76Å |
| 179 | A | 59 | Low | 68.6 | Low | 78 Ų | 78 | 111 Ų | 111 | 65% | 0.645 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.8 | -34.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 180 | L | 62.6 | Low | 70.8 | Confident | 136 Ų | 136 | 107 Ų | 107 | 71% | 0.712 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.5 | -37.2 | 179.3 | -125.2 | 165.1 | 0 | 0 | 0 | 111.8 | | |
| 181 | C | 64.2 | Low | 72.9 | Confident | 68 Ų | 68 | 104.3 Ų | 104.3 | 46% | 0.459 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -76.8 | -22.7 | 177.7 | -70.7 | 0 | 0 | 0 | 0 | 113.6 | Q177 L184 Y185 | Q177-C181 VanDerWaalsContact O-CB 3.29Å; Q177-C181 WeakPolarHBondContact O-CB 2.97Å; Q177-C181 PolarHBondContact O-N 3.34Å; Q177-C181 VanDerWaalsContact O-N 3.08Å; Q177-C181 PolarHBondContact O-SG 3.47Å; C181-L184 PolarHBondContact O-N 3.01Å; C181-Y185 VanDerWaalsContact O-CB 3.22Å; C181-Y185 WeakPolarHBondContact O-CB 3.24Å; C181-Y185 PolarHBondContact O-N 3.1Å |
| 182 | Q | 76.7 | Confident | 75.1 | Confident | 150 Ų | 150 | 103.7 Ų | 103.7 | 70% | 0.701 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.1 | -41.5 | -176 | -168.8 | 155.6 | 21.4 | 0 | 0 | 112.5 | S178 F186 | S178-Q182 PolarHBondContact O-N 2.76Å; Q182-F186 PolarHBondContact O-N 3.32Å |
| 183 | G | 87.8 | Confident | 77.5 | Confident | 49 Ų | 49 | 103.3 Ų | 103.3 | 51% | 0.505 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.9 | -40.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F186 H187 | G183-F186 PolarHBondContact O-N 3.03Å; G183-H187 PolarHBondContact O-N 3.4Å |
| 184 | L | 92.1 | Very high | 79.3 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | -179.9 | -172 | 65 | 0 | 0 | 0 | 111.8 | C181 H187 I188 | C181-L184 PolarHBondContact O-N 3.01Å; L184-H187 PolarHBondContact O-N 3.38Å; L184-I188 HydrophobicContact CD1-CD1 4.47Å; L184-I188 HydrophobicContact CG-CD1 3.96Å; L184-I188 VanDerWaalsContact O-CG1 3.27Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 PolarHBondContact O-N 3.22Å |
| 185 | Y | 91.8 | Very high | 81.5 | Confident | 155 Ų | 155 | 100.3 Ų | 100.3 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.8 | -37.6 | 177.5 | -170.8 | -107.9 | 0 | 0 | 0 | 112 | C181 N189 | C181-Y185 VanDerWaalsContact O-CB 3.22Å; C181-Y185 WeakPolarHBondContact O-CB 3.24Å; C181-Y185 PolarHBondContact O-N 3.1Å; Y185-N189 WeakPolarHBondContact CD1-ND2 3.39Å; Y185-N189 WeakPolarHBondContact CE1-ND2 3.28Å; Y185-N189 WeakPolarHBondContact O-CB 3.41Å; Y185-N189 VanDerWaalsContact O-CG 3.3Å; Y185-N189 PolarHBondContact O-N 2.89Å; Y185-N189 PolarHBondContact O-ND2 3.41Å |
| 186 | F | 93.8 | Very high | 83.4 | Confident | 135 Ų | 135 | 102.5 Ų | 102.5 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 172.6 | 179.8 | -96.2 | 0 | 0 | 0 | 111.6 | Q182 G183 N189 Q190 | Q182-F186 PolarHBondContact O-N 3.32Å; G183-F186 PolarHBondContact O-N 3.03Å; F186-N189 PolarHBondContact O-N 3.33Å; F186-Q190 WeakPolarHBondContact O-CB 3.4Å; F186-Q190 PolarHBondContact O-N 3.21Å |
| 187 | H | 94 | Very high | 85.5 | Confident | 119 Ų | 119 | 100.7 Ų | 100.7 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.7 | -45.9 | 178.4 | -174.7 | 62 | 0 | 0 | 0 | 112.4 | G183 L184 N189 Q190 T191 | G183-H187 PolarHBondContact O-N 3.4Å; L184-H187 PolarHBondContact O-N 3.38Å; H187-N189 VanDerWaalsContact C-N 3.34Å; H187-N189 PolarHBondContact O-N 2.84Å; H187-Q190 WeakPolarHBondContact O-CB 3.33Å; H187-Q190 PolarHBondContact O-N 3.2Å; H187-Q190 VanDerWaalsContact O-N 3.14Å; H187-T191 PolarHBondContact O-N 2.94Å; H187-T191 PolarHBondContact O-OG1 3.3Å |
| 188 | I | 95.2 | Very high | 87.2 | Confident | 79 Ų | 79 | 97.7 Ų | 97.7 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 177.2 | -69.1 | 164.7 | 0 | 0 | 0 | 110.5 | L184 Q190 T191 L192 | L184-I188 HydrophobicContact CD1-CD1 4.47Å; L184-I188 HydrophobicContact CG-CD1 3.96Å; L184-I188 VanDerWaalsContact O-CG1 3.27Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 PolarHBondContact O-N 3.22Å; I188-Q190 VanDerWaalsContact C-N 3.29Å; I188-Q190 PolarHBondContact O-N 3.46Å; I188-T191 PolarHBondContact O-N 3.42Å; I188-L192 HydrophobicContact CG2-CD1 3.93Å; I188-L192 HydrophobicContact CG2-CG 4.42Å; I188-L192 VanDerWaalsContact O-CG 3.28Å; I188-L192 WeakPolarHBondContact O-CG 3.28Å; I188-L192 PolarHBondContact O-N 3.07Å |
| 189 | N | 95.6 | Very high | 88.9 | Confident | 45 Ų | 45 | 97.4 Ų | 97.4 | 24% | 0.241 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 178.6 | -71.5 | -33.6 | 0 | 0 | 0 | 112.6 | Y185 F186 H187 R193 | Y185-N189 WeakPolarHBondContact CD1-ND2 3.39Å; Y185-N189 WeakPolarHBondContact CE1-ND2 3.28Å; Y185-N189 WeakPolarHBondContact O-CB 3.41Å; Y185-N189 VanDerWaalsContact O-CG 3.3Å; Y185-N189 PolarHBondContact O-N 2.89Å; Y185-N189 PolarHBondContact O-ND2 3.41Å; F186-N189 PolarHBondContact O-N 3.33Å; H187-N189 VanDerWaalsContact C-N 3.34Å; H187-N189 PolarHBondContact O-N 2.84Å; N189-R193 VanDerWaalsContact O-CG 3.28Å; N189-R193 WeakPolarHBondContact O-CG 3.36Å; N189-R193 PolarHBondContact O-N 3.37Å; N189-R193 VanDerWaalsContact O-N 3.1Å; N189-R193 PolarHBondContact O-NE 2.94Å |
| 190 | Q | 95.8 | Very high | 90.5 | Very high | 63 Ų | 63 | 98.1 Ų | 98.1 | 29% | 0.294 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -50.5 | 173.4 | -174.7 | 57.5 | 35.7 | 0 | 0 | 111.2 | F186 H187 I188 L192 R193 E194 | F186-Q190 WeakPolarHBondContact O-CB 3.4Å; F186-Q190 PolarHBondContact O-N 3.21Å; H187-Q190 WeakPolarHBondContact O-CB 3.33Å; H187-Q190 PolarHBondContact O-N 3.2Å; H187-Q190 VanDerWaalsContact O-N 3.14Å; I188-Q190 VanDerWaalsContact C-N 3.29Å; I188-Q190 PolarHBondContact O-N 3.46Å; Q190-L192 VanDerWaalsContact C-N 3.34Å; Q190-L192 PolarHBondContact O-N 3.4Å; Q190-R193 PolarHBondContact O-N 3.09Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.48Å; Q190-E194 PolarHBondContact NE2-OE1 3.1Å; Q190-E194 WeakPolarHBondContact O-CG 3.45Å; Q190-E194 PolarHBondContact O-N 3.15Å |
| 191 | T | 96.4 | Very high | 91.7 | Very high | 64 Ų | 64 | 95.7 Ų | 95.7 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 177.7 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | H187 I188 R193 E194 A195 | H187-T191 PolarHBondContact O-N 2.94Å; H187-T191 PolarHBondContact O-OG1 3.3Å; I188-T191 PolarHBondContact O-N 3.42Å; T191-R193 VanDerWaalsContact C-N 3.34Å; T191-R193 PolarHBondContact O-N 3.15Å; T191-E194 PolarHBondContact O-N 3.13Å; T191-A195 WeakPolarHBondContact O-CB 3.45Å; T191-A195 PolarHBondContact O-N 2.85Å |
| 192 | L | 97.1 | Very high | 92.5 | Very high | 108 Ų | 108 | 98.4 Ų | 98.4 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -40.8 | 177.9 | -70.7 | 173.1 | 0 | 0 | 0 | 111.9 | I188 Q190 H196 | I188-L192 HydrophobicContact CG2-CD1 3.93Å; I188-L192 HydrophobicContact CG2-CG 4.42Å; I188-L192 VanDerWaalsContact O-CG 3.28Å; I188-L192 WeakPolarHBondContact O-CG 3.28Å; I188-L192 PolarHBondContact O-N 3.07Å; Q190-L192 VanDerWaalsContact C-N 3.34Å; Q190-L192 PolarHBondContact O-N 3.4Å; L192-H196 WeakPolarHBondContact O-CB 3.39Å; L192-H196 PolarHBondContact O-N 3.05Å |
| 193 | R | 95.5 | Very high | 92.4 | Very high | 134 Ų | 134 | 101.1 Ų | 101.1 | 51% | 0.506 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 175.2 | -74.8 | -177 | -63.8 | -126.2 | 4.1 | 112 | N189 Q190 T191 H196 F197 | N189-R193 VanDerWaalsContact O-CG 3.28Å; N189-R193 WeakPolarHBondContact O-CG 3.36Å; N189-R193 PolarHBondContact O-N 3.37Å; N189-R193 VanDerWaalsContact O-N 3.1Å; N189-R193 PolarHBondContact O-NE 2.94Å; Q190-R193 PolarHBondContact O-N 3.09Å; T191-R193 VanDerWaalsContact C-N 3.34Å; T191-R193 PolarHBondContact O-N 3.15Å; R193-H196 PolarHBondContact O-N 3.5Å; R193-F197 PolarHBondContact O-N 3.45Å; R193-F197 VanDerWaalsContact O-N 3.1Å |
| 194 | E | 95.3 | Very high | 91.5 | Very high | 93 Ų | 93 | 102.3 Ų | 102.3 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 178.2 | -73.1 | 171.3 | -167.1 | 0 | 0 | 111.7 | Q190 T191 H196 F197 H198 | Q190-E194 WeakPolarHBondContact CG-OE1 3.48Å; Q190-E194 PolarHBondContact NE2-OE1 3.1Å; Q190-E194 WeakPolarHBondContact O-CG 3.45Å; Q190-E194 PolarHBondContact O-N 3.15Å; T191-E194 PolarHBondContact O-N 3.13Å; E194-H196 VanDerWaalsContact C-N 3.3Å; E194-H196 PolarHBondContact O-N 3.37Å; E194-F197 WeakPolarHBondContact O-CB 3.49Å; E194-F197 PolarHBondContact O-N 3.13Å; E194-F197 VanDerWaalsContact O-N 3.15Å; E194-H198 PolarHBondContact O-CD2 2.99Å; E194-H198 PolarHBondContact O-N 3.33Å |
| 195 | A | 95.8 | Very high | 90.4 | Very high | 56 Ų | 56 | 106.6 Ų | 106.6 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T191 H198 S199 | T191-A195 WeakPolarHBondContact O-CB 3.45Å; T191-A195 PolarHBondContact O-N 2.85Å; A195-H198 PolarHBondContact O-N 3.09Å; A195-S199 WeakPolarHBondContact O-CB 3.48Å; A195-S199 PolarHBondContact O-N 2.84Å |
| 196 | H | 96.6 | Very high | 88.8 | Confident | 121 Ų | 121 | 104.4 Ų | 104.4 | 56% | 0.56 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.2 | -44.8 | 174.6 | 179.5 | -94.6 | 0 | 0 | 0 | 111.6 | L192 R193 E194 S199 L200 | L192-H196 WeakPolarHBondContact O-CB 3.39Å; L192-H196 PolarHBondContact O-N 3.05Å; R193-H196 PolarHBondContact O-N 3.5Å; E194-H196 VanDerWaalsContact C-N 3.3Å; E194-H196 PolarHBondContact O-N 3.37Å; H196-S199 PolarHBondContact O-N 3.07Å; H196-L200 WeakPolarHBondContact O-CG 3.45Å; H196-L200 PolarHBondContact O-N 3.18Å; H196-L200 VanDerWaalsContact O-N 3.13Å |
| 197 | F | 95.8 | Very high | 87.3 | Confident | 122 Ų | 122 | 106.6 Ų | 106.6 | 54% | 0.535 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 176.3 | -178.9 | -108.2 | 0 | 0 | 0 | 112.2 | R193 E194 S199 L200 Q201 | R193-F197 PolarHBondContact O-N 3.45Å; R193-F197 VanDerWaalsContact O-N 3.1Å; E194-F197 WeakPolarHBondContact O-CB 3.49Å; E194-F197 PolarHBondContact O-N 3.13Å; E194-F197 VanDerWaalsContact O-N 3.15Å; F197-S199 VanDerWaalsContact C-N 3.33Å; F197-S199 PolarHBondContact O-N 3.48Å; F197-L200 WeakPolarHBondContact O-CB 3.47Å; F197-L200 PolarHBondContact O-N 3.23Å; F197-L200 VanDerWaalsContact O-N 3.16Å; F197-Q201 HydrophobicContact CE1-CG 4.34Å; F197-Q201 HydrophobicContact CZ-CG 4.45Å; F197-Q201 VanDerWaalsContact CZ-NE2 3.29Å; F197-Q201 WeakPolarHBondContact O-CG 3.23Å; F197-Q201 PolarHBondContact O-N 3Å; F197-Q201 VanDerWaalsContact O-N 3.17Å |
| 198 | H | 92.8 | Very high | 85.7 | Confident | 93 Ų | 93 | 110.5 Ų | 110.5 | 43% | 0.431 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.4 | -42.1 | 175.3 | -72 | -56.3 | 0 | 0 | 0 | 112.3 | E194 A195 L200 Q201 H202 | E194-H198 PolarHBondContact O-CD2 2.99Å; E194-H198 PolarHBondContact O-N 3.33Å; A195-H198 PolarHBondContact O-N 3.09Å; H198-L200 VanDerWaalsContact C-N 3.26Å; H198-L200 PolarHBondContact O-N 3.39Å; H198-Q201 PolarHBondContact ND1-OE1 3.11Å; H198-Q201 WeakPolarHBondContact O-CB 3.11Å; H198-Q201 PolarHBondContact O-N 3.17Å; H198-Q201 VanDerWaalsContact O-N 3.13Å; H198-H202 PolarHBondContact O-CD2 3.25Å; H198-H202 PolarHBondContact O-N 3.16Å; H198-H202 VanDerWaalsContact O-N 3.15Å |
| 199 | S | 92.8 | Very high | 85.2 | Confident | 75 Ų | 75 | 112.1 Ų | 112.1 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.8 | -39.1 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | A195 H196 F197 H202 R203 | A195-S199 WeakPolarHBondContact O-CB 3.48Å; A195-S199 PolarHBondContact O-N 2.84Å; H196-S199 PolarHBondContact O-N 3.07Å; F197-S199 VanDerWaalsContact C-N 3.33Å; F197-S199 PolarHBondContact O-N 3.48Å; S199-H202 PolarHBondContact O-N 3.07Å; S199-R203 WeakPolarHBondContact O-CB 3.27Å; S199-R203 PolarHBondContact O-N 3.22Å |
| 200 | L | 91.9 | Very high | 84.7 | Confident | 94 Ų | 94 | 115.6 Ų | 115.6 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.4 | -39.6 | 176.8 | -70.1 | 174.2 | 0 | 0 | 0 | 111.9 | H196 F197 H198 H202 R203 | H196-L200 WeakPolarHBondContact O-CG 3.45Å; H196-L200 PolarHBondContact O-N 3.18Å; H196-L200 VanDerWaalsContact O-N 3.13Å; F197-L200 WeakPolarHBondContact O-CB 3.47Å; F197-L200 PolarHBondContact O-N 3.23Å; F197-L200 VanDerWaalsContact O-N 3.16Å; H198-L200 VanDerWaalsContact C-N 3.26Å; H198-L200 PolarHBondContact O-N 3.39Å; L200-H202 VanDerWaalsContact C-N 3.28Å; L200-H202 PolarHBondContact O-N 3.11Å; L200-R203 PolarHBondContact O-N 3.44Å |
| 201 | Q | 89.2 | Confident | 84 | Confident | 84 Ų | 84 | 118.5 Ų | 118.5 | 39% | 0.393 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.6 | -31.3 | 179.3 | -66.8 | 179.4 | -31.2 | 0 | 0 | 113.4 | F197 H198 | F197-Q201 HydrophobicContact CE1-CG 4.34Å; F197-Q201 HydrophobicContact CZ-CG 4.45Å; F197-Q201 VanDerWaalsContact CZ-NE2 3.29Å; F197-Q201 WeakPolarHBondContact O-CG 3.23Å; F197-Q201 PolarHBondContact O-N 3Å; F197-Q201 VanDerWaalsContact O-N 3.17Å; H198-Q201 PolarHBondContact ND1-OE1 3.11Å; H198-Q201 WeakPolarHBondContact O-CB 3.11Å; H198-Q201 PolarHBondContact O-N 3.17Å; H198-Q201 VanDerWaalsContact O-N 3.13Å |
| 202 | H | 81.4 | Confident | 83.3 | Confident | 126 Ų | 126 | 121.7 Ų | 121.7 | 58% | 0.583 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -93.9 | -9 | -179.4 | -59.7 | -56.9 | 0 | 0 | 0 | 113 | H198 S199 L200 G204 | H198-H202 PolarHBondContact O-CD2 3.25Å; H198-H202 PolarHBondContact O-N 3.16Å; H198-H202 VanDerWaalsContact O-N 3.15Å; S199-H202 PolarHBondContact O-N 3.07Å; L200-H202 VanDerWaalsContact C-N 3.28Å; L200-H202 PolarHBondContact O-N 3.11Å; H202-G204 PolarHBondContact O-N 3.37Å |
| 203 | R | 74.1 | Confident | 82.5 | Confident | 207 Ų | 207 | 122.6 Ų | 122.6 | 78% | 0.781 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 105.8 | 177 | -157.5 | 175.4 | -179.2 | -160 | -1.7 | 109.4 | S199 L200 | S199-R203 WeakPolarHBondContact O-CB 3.27Å; S199-R203 PolarHBondContact O-N 3.22Å; L200-R203 PolarHBondContact O-N 3.44Å |
| 204 | G | 67.9 | Low | 81.6 | Confident | 74 Ų | 74 | 121.8 Ų | 121.8 | 76% | 0.763 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.9 | 4.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | H202 P206 | H202-G204 PolarHBondContact O-N 3.37Å; G204-P206 VanDerWaalsContact O-CD 3.23Å; G204-P206 WeakPolarHBondContact O-CD 3.34Å |
| 205 | R | 68.8 | Low | 80.6 | Confident | 191 Ų | 191 | 123.9 Ų | 123.9 | 72% | 0.721 | 65% | 0.653 | S | S | * | * | | | trans | -77.9 | 114.5 | 166.3 | -65.6 | -162.6 | -179.5 | -154.2 | -2.7 | 108.9 | L207 | R205-L207 PolarHBondContact O-N 3.01Š|
| 206 | P | 58.6 | Low | 79.4 | Confident | 110 Ų | 110 | 129.1 Ų | 129.1 | 71% | 0.714 | 67% | 0.667 | S | S | * | * | | | trans | -61.2 | 135.1 | 169 | 25.4 | -30.6 | 0 | 0 | 0 | 108.4 | G204 T208 | G204-P206 VanDerWaalsContact O-CD 3.23Å; G204-P206 WeakPolarHBondContact O-CD 3.34Å; P206-T208 PolarHBondContact O-N 3.31Å |
| 207 | L | 61.8 | Low | 78 | Confident | 180 Ų | 180 | 129.8 Ų | 129.8 | 94% | 0.942 | 68% | 0.676 | S | S | * | * | | | trans | -62.9 | 109.3 | 165.8 | -116.6 | 70.5 | 0 | 0 | 0 | 106.4 | R205 | R205-L207 PolarHBondContact O-N 3.01Š|
| 208 | T | 61.1 | Low | 76.4 | Confident | 201 Ų | 201 | 130.5 Ų | 130.5 | 100% | 1.233 | 69% | 0.689 | S | S | * | * | | | trans | -72.5 | 0 | 168.7 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | P206 | P206-T208 PolarHBondContact O-N 3.31Š|