| 1 | M | 45.2 | Very low | 51.8 | Low | 245 Ų | 245 | 141.4 Ų | 141.4 | 100% | 1.207 | 86% | 0.857 | S | S | * | * | | | | 0 | 106.6 | 0 | -52.5 | -67.2 | -95.2 | 0 | 0 | 106 | | |
| 2 | G | 43.5 | Very low | 51.1 | Low | 66 Ų | 66 | 148.8 Ų | 148.8 | 68% | 0.68 | 86% | 0.858 | S | S | * | * | | | cis | -174.1 | 161.6 | 6.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 3 | C | 58.4 | Low | 50.7 | Low | 138 Ų | 138 | 155.8 Ų | 155.8 | 93% | 0.932 | 86% | 0.862 | S | S | * | * | | | trans | 65.4 | 103.5 | 146.2 | -53.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 4 | G | 58.8 | Low | 50.6 | Low | 71 Ų | 71 | 162.1 Ų | 162.1 | 73% | 0.732 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 170.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 5 | P | 58.1 | Low | 50.5 | Low | 134 Ų | 134 | 160.1 Ų | 160.1 | 87% | 0.87 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 137.5 | -167 | 28.4 | -33.1 | 0 | 0 | 0 | 114.1 | | |
| 6 | S | 59.3 | Low | 50.5 | Low | 118 Ų | 118 | 157.6 Ų | 157.6 | 83% | 0.825 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 142.3 | 176.9 | 38.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 7 | Q | 63.3 | Low | 50.4 | Low | 184 Ų | 184 | 153.4 Ų | 153.4 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 154.3 | 174.9 | -62.7 | -159.4 | -24.9 | 0 | 0 | 112.9 | | |
| 8 | P | 54.8 | Low | 50.3 | Low | 126 Ų | 126 | 151.8 Ų | 151.8 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 149.5 | 162.6 | 33.1 | -30.4 | 0 | 0 | 0 | 112.7 | | |
| 9 | T | 40.3 | Very low | 50.2 | Low | 127 Ų | 127 | 154.2 Ų | 154.2 | 78% | 0.779 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 150.6 | -174.2 | 32.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 10 | E | 45.5 | Very low | 50.3 | Low | 182 Ų | 182 | 156.6 Ų | 156.6 | 85% | 0.85 | 85% | 0.852 | S | S | * | * | | | trans | 64.2 | 92.4 | 147 | -69.2 | 179.9 | 162.5 | 0 | 0 | 119.4 | R12 | E10-R12 PolarHBondContact O-N 3.45Š|
| 11 | D | 43.2 | Very low | 50 | Low | 164 Ų | 164 | 155 Ų | 155 | 88% | 0.877 | 85% | 0.846 | S | S | * | * | | | trans | -86.2 | 101 | 159.1 | -152.2 | 1.1 | 0 | 0 | 0 | 109.8 | R13 | D11-R13 PolarHBondContact O-N 3.42Å; D11-R13 VanDerWaalsContact O-N 3.09Å |
| 12 | R | 43.3 | Very low | 49.9 | Very low | 230 Ų | 230 | 155.3 Ų | 155.3 | 87% | 0.868 | 83% | 0.834 | S | S | * | * | | | trans | -73.9 | 96.9 | -179 | -160.9 | -178.7 | -175 | -141.2 | 2.8 | 108.9 | E10 R14 | E10-R12 PolarHBondContact O-N 3.45Å; R12-R14 PolarHBondContact O-N 2.98Å |
| 13 | R | 45.8 | Very low | 49.9 | Very low | 241 Ų | 241 | 161.7 Ų | 161.7 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | | | trans | -43.9 | 111 | 174.5 | -67.1 | -175.5 | -171.2 | -167.8 | 2.4 | 111.5 | D11 | D11-R13 PolarHBondContact O-N 3.42Å; D11-R13 VanDerWaalsContact O-N 3.09Å |
| 14 | R | 48.8 | Very low | 49.1 | Very low | 243 Ų | 243 | 164.3 Ų | 164.3 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 122.6 | 164 | -67.9 | -167.8 | -175 | -166.6 | 3.2 | 108.8 | R12 | R12-R14 PolarHBondContact O-N 2.98Š|
| 15 | V | 49 | Very low | 48.1 | Very low | 132 Ų | 132 | 164.4 Ų | 164.4 | 80% | 0.8 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 132 | 172.1 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 16 | P | 50.9 | Low | 47.3 | Very low | 120 Ų | 120 | 165.1 Ų | 165.1 | 78% | 0.779 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 133.1 | 169.3 | -7.7 | 24.6 | 0 | 0 | 0 | 110.7 | | |
| 17 | A | 48.1 | Very low | 46.4 | Very low | 86 Ų | 86 | 169.3 Ų | 169.3 | 71% | 0.711 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 154.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 18 | P | 48.8 | Very low | 45.3 | Very low | 126 Ų | 126 | 165.7 Ų | 165.7 | 82% | 0.818 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 126.5 | 178.3 | 30.9 | -31.5 | 0 | 0 | 0 | 111.9 | | |
| 19 | E | 49.7 | Very low | 44.4 | Very low | 196 Ų | 196 | 166.9 Ų | 166.9 | 92% | 0.916 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 141.8 | 172.5 | -70.6 | -170.2 | 153.2 | 0 | 0 | 112 | | |
| 20 | K | 52.5 | Low | 44.5 | Very low | 203 Ų | 203 | 166.8 Ų | 166.8 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 124.3 | 179.2 | -68.2 | 179.5 | 179.4 | 179.2 | 0 | 110.8 | | |
| 21 | V | 43.5 | Very low | 44 | Very low | 122 Ų | 122 | 161.3 Ų | 161.3 | 74% | 0.739 | 84% | 0.84 | S | S | * | * | | | trans | -2.7 | 129.1 | 152.1 | -171.7 | 0 | 0 | 0 | 0 | 117.6 | K23 | V21-K23 HydrophobicContact CG1-CG 4.22Š|
| 22 | R | 42.5 | Very low | 43.9 | Very low | 252 Ų | 252 | 158.9 Ų | 158.9 | 95% | 0.951 | 83% | 0.831 | S | S | * | * | | | trans | -115.2 | 132.7 | 145.9 | -84.1 | -175.4 | 172.8 | 163 | -1.1 | 109.9 | | |
| 23 | K | 43.8 | Very low | 44 | Very low | 200 Ų | 200 | 153.6 Ų | 153.6 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | | | trans | -87.3 | 140.4 | 176.1 | -65.3 | 177 | 175.5 | -178.4 | 0 | 108.8 | V21 | V21-K23 HydrophobicContact CG1-CG 4.22Š|
| 24 | E | 41.3 | Very low | 43.8 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | trans | -133.3 | 127.3 | 161.3 | -165.6 | 159.5 | -162.2 | 0 | 0 | 108.5 | | |
| 25 | G | 37.4 | Very low | 43.7 | Very low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | | | trans | -85.2 | 145.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 26 | V | 40.7 | Very low | 43.5 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | | | trans | -116 | 120.4 | 162.5 | 176.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 27 | K | 42 | Very low | 42.8 | Very low | 205 Ų | 205 | 143.7 Ų | 143.7 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | trans | -76.6 | 138.1 | 173.6 | -66.8 | -171.4 | 173.7 | -171.3 | 0 | 109.4 | | |
| 28 | A | 38.9 | Very low | 42.6 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | | | trans | -127 | 132 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 29 | D | 36.9 | Very low | 42.1 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | | | trans | -112.8 | 141 | -171.2 | -167 | 35.8 | 0 | 0 | 0 | 110.5 | | |
| 30 | V | 42.3 | Very low | 42 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | | | trans | 59.6 | 126.5 | 154.1 | 169.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 31 | G | 35.4 | Very low | 41.6 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | | | trans | 162.9 | 73.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 32 | V | 40.2 | Very low | 41.5 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | | | trans | 44.2 | 135.6 | 142.5 | -170.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 33 | P | 45.7 | Very low | 41.1 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | | | trans | -90.7 | 148.9 | 177.1 | 36.3 | -33.8 | 0 | 0 | 0 | 114.5 | | |
| 34 | H | 41.7 | Very low | 40.8 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | | | trans | -130 | 109.6 | 166.5 | -32.9 | -43.5 | 0 | 0 | 0 | 106.6 | | |
| 35 | S | 47.3 | Very low | 41 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | | | | 62.7 | 112.6 | 102.4 | -165.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 36 | G | 44.9 | Very low | 41.1 | Very low | 63 Ų | 63 | 135.3 Ų | 135.3 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | | | trans | -78.8 | 166.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 37 | E | 35.6 | Very low | 41.1 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | -160.7 | 123.4 | 157.5 | -105.7 | 146.6 | -166.6 | 0 | 0 | 107.7 | | |
| 38 | N | 44.1 | Very low | 40.9 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | trans | -78.1 | 124.7 | 168.8 | -70.1 | -78 | 0 | 0 | 0 | 107.3 | | |
| 39 | C | 38.4 | Very low | 41.4 | Very low | 124 Ų | 124 | 134 Ų | 134 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -114.9 | 101.7 | 165 | -70.4 | 0 | 0 | 0 | 0 | 109 | | |
| 40 | S | 47.5 | Very low | 41.2 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -91.5 | 130.1 | 167.5 | -161.1 | 0 | 0 | 0 | 0 | 108.3 | Q42 | S40-Q42 PolarHBondContact O-N 2.87Š|
| 41 | P | 44 | Very low | 41.4 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -77.2 | 109.7 | 171.5 | -12.2 | 28.1 | 0 | 0 | 0 | 110.3 | | |
| 42 | Q | 41.8 | Very low | 41.4 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -72.3 | 118.2 | 165.4 | -159.2 | -179.3 | 16.4 | 0 | 0 | 107.7 | S40 | S40-Q42 PolarHBondContact O-N 2.87Š|
| 43 | M | 33.9 | Very low | 41.5 | Very low | 176 Ų | 176 | 140 Ų | 140 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | -106.1 | 120 | 167.1 | 69.1 | 177.8 | 71 | 0 | 0 | 109.1 | | |
| 44 | E | 36.2 | Very low | 41.5 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -65.2 | 133.5 | 178.6 | -74.3 | -175.5 | 132.1 | 0 | 0 | 111.4 | A46 | E44-A46 PolarHBondContact O-N 3.43Š|
| 45 | A | 47.2 | Very low | 41.9 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | trans | -83.3 | 107.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L47 | A45-L47 PolarHBondContact O-N 2.87Š|
| 46 | A | 39.1 | Very low | 41.4 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | -82.3 | 99.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E44 T48 | E44-A46 PolarHBondContact O-N 3.43Å; A46-T48 PolarHBondContact O-N 3.39Å |
| 47 | L | 40.6 | Very low | 41.6 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 73% | 0.728 | 81% | 0.814 | S | S | * | * | | | trans | -65 | 115.8 | 167.9 | -177.4 | 76.2 | 0 | 0 | 0 | 109.8 | A45 K49 | A45-L47 PolarHBondContact O-N 2.87Å; L47-K49 HydrophobicContact CD1-CG 4.47Å; L47-K49 HydrophobicContact CG-CG 4.29Å |
| 48 | T | 38.1 | Very low | 41.8 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | trans | -120 | 116.4 | 158.9 | 57.7 | 0 | 0 | 0 | 0 | 108.9 | A46 | A46-T48 PolarHBondContact O-N 3.39Š|
| 49 | K | 48.7 | Very low | 41.5 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 70% | 0.7 | 81% | 0.807 | S | S | * | * | | | trans | -90 | 132.2 | 171.7 | -56.4 | -178.2 | -179.4 | -175.4 | 0 | 106.6 | L47 | L47-K49 HydrophobicContact CD1-CG 4.47Å; L47-K49 HydrophobicContact CG-CG 4.29Å |
| 50 | N | 33 | Very low | 42.1 | Very low | 164 Ų | 164 | 142 Ų | 142 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | trans | -162.4 | 107.8 | 142.9 | -83.7 | -37.9 | 0 | 0 | 0 | 109.9 | | |
| 51 | T | 46.8 | Very low | 41.8 | Very low | 133 Ų | 133 | 142 Ų | 142 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | | | trans | 2.6 | 125.3 | 139.7 | -52.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 52 | V | 33.9 | Very low | 42.4 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | | | | -173.8 | 114.7 | 129.8 | 163.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 53 | D | 44 | Very low | 42.5 | Very low | 160 Ų | 160 | 144 Ų | 144 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | | | trans | -71.5 | 146.1 | 155.2 | -77.7 | -42.2 | 0 | 0 | 0 | 107.9 | | |
| 54 | P | 45.8 | Very low | 43.4 | Very low | 108 Ų | 108 | 139 Ų | 139 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | | -143 | 153 | 99.2 | 32.2 | -14.8 | 0 | 0 | 0 | 114.3 | E56 | P54-E56 PolarHBondContact O-N 2.87Š|
| 55 | A | 49.7 | Very low | 44.7 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -49.3 | 128.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 56 | E | 35.8 | Very low | 45.5 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -118 | 104.9 | 162 | -74.7 | -177.4 | 169.6 | 0 | 0 | 108.5 | P54 | P54-E56 PolarHBondContact O-N 2.87Š|
| 57 | G | 50.6 | Low | 46.5 | Very low | 73 Ų | 73 | 138.6 Ų | 138.6 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -72.5 | 118 | 149.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 58 | L | 38.4 | Very low | 47.4 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -135.5 | 133.6 | 158.5 | -76.6 | 179.6 | 0 | 0 | 0 | 109.9 | | |
| 59 | E | 38.9 | Very low | 48.4 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -53.5 | 147.9 | -169.9 | -60.5 | 178.7 | 151.5 | 0 | 0 | 112.9 | V61 | E59-V61 VanDerWaalsContact C-N 3.27Å; E59-V61 PolarHBondContact O-N 3.09Å |
| 60 | Q | 50.8 | Low | 49 | Very low | 200 Ų | 200 | 133.6 Ų | 133.6 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | | | trans | -60.7 | 90.9 | 165.2 | -71.6 | 172.2 | 11 | 0 | 0 | 109.3 | Q62 | Q60-Q62 PolarHBondContact O-N 2.99Š|
| 61 | V | 40.8 | Very low | 50.4 | Low | 109 Ų | 109 | 130.6 Ų | 130.6 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | | | trans | -84.7 | 100.9 | 159.7 | -171.8 | 0 | 0 | 0 | 0 | 106.2 | E59 M63 | E59-V61 VanDerWaalsContact C-N 3.27Å; E59-V61 PolarHBondContact O-N 3.09Å; V61-M63 HydrophobicContact CG1-CG 3.82Å; V61-M63 HydrophobicContact CG1-SD 4.16Å; V61-M63 PolarHBondContact O-N 3.26Å |
| 62 | Q | 56.1 | Low | 51 | Low | 194 Ų | 194 | 133.3 Ų | 133.3 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | | | trans | -66.4 | 77.2 | 170.2 | -174.9 | 154.3 | 44.2 | 0 | 0 | 109.2 | Q60 | Q60-Q62 PolarHBondContact O-N 2.99Š|
| 63 | M | 43.8 | Very low | 52.3 | Low | 158 Ų | 158 | 134 Ų | 134 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 125 | 166.9 | -71.6 | -65.5 | -92.5 | 0 | 0 | 107.9 | V61 S65 | V61-M63 HydrophobicContact CG1-CG 3.82Å; V61-M63 HydrophobicContact CG1-SD 4.16Å; V61-M63 PolarHBondContact O-N 3.26Å; M63-S65 PolarHBondContact O-N 3.01Å |
| 64 | G | 54.1 | Low | 52.7 | Low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 132.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L66 | G64-L66 PolarHBondContact O-N 3.18Š|
| 65 | S | 63.2 | Low | 53.3 | Low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 126.7 | 179 | -52.2 | 0 | 0 | 0 | 0 | 111 | M63 | M63-S65 PolarHBondContact O-N 3.01Š|
| 66 | L | 63.8 | Low | 53.3 | Low | 135 Ų | 135 | 131.3 Ų | 131.3 | 71% | 0.707 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 146.9 | 174.5 | -64.5 | 172.5 | 0 | 0 | 0 | 110.2 | G64 G68 T69 | G64-L66 PolarHBondContact O-N 3.18Å; L66-G68 PolarHBondContact O-N 2.85Å; L66-T69 PolarHBondContact O-N 3.47Å; L66-T69 PolarHBondContact O-OG1 3.36Å |
| 67 | P | 59.1 | Low | 54.1 | Low | 138 Ų | 138 | 129.8 Ų | 129.8 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 111.7 | 176 | 25.5 | -32.3 | 0 | 0 | 0 | 109.7 | | |
| 68 | G | 59 | Low | 54.1 | Low | 79 Ų | 79 | 130.5 Ų | 130.5 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.7 | -8.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L66 | L66-G68 PolarHBondContact O-N 2.85Š|
| 69 | T | 59.9 | Low | 54.7 | Low | 92 Ų | 92 | 132.3 Ų | 132.3 | 56% | 0.564 | 77% | 0.774 | S | S | * | * | | | trans | -87.2 | 115.2 | 173.2 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | L66 | L66-T69 PolarHBondContact O-N 3.47Å; L66-T69 PolarHBondContact O-OG1 3.36Å |
| 70 | I | 61 | Low | 55.3 | Low | 159 Ų | 159 | 135.3 Ų | 135.3 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | | | trans | -72.3 | 128.7 | 168.3 | 48.8 | 173.7 | 0 | 0 | 0 | 108.7 | E72 | I70-E72 PolarHBondContact O-N 3.49Š|
| 71 | S | 63 | Low | 55.6 | Low | 101 Ų | 101 | 133.8 Ų | 133.8 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -63.6 | 123.2 | 173.3 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | N73 | S71-N73 PolarHBondContact O-N 2.87Š|
| 72 | E | 58.3 | Low | 56.2 | Low | 189 Ų | 189 | 139.3 Ų | 139.3 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -72.2 | 19.2 | -179.1 | -65.4 | -166.3 | 144.2 | 0 | 0 | 114.1 | I70 | I70-E72 PolarHBondContact O-N 3.49Š|
| 73 | N | 61.8 | Low | 55.6 | Low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | trans | -107.1 | 66 | 176.4 | -66.5 | 45.7 | 0 | 0 | 0 | 109.5 | S71 | S71-N73 PolarHBondContact O-N 2.87Š|
| 74 | S | 52.2 | Low | 56 | Low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 129.4 | 164.4 | 56.7 | 0 | 0 | 0 | 0 | 109.1 | S76 | S74-S76 PolarHBondContact O-N 2.7Š|
| 75 | P | 58.6 | Low | 55.6 | Low | 124 Ų | 124 | 141.3 Ų | 141.3 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 131.1 | 174.2 | 26.2 | -31.5 | 0 | 0 | 0 | 108.7 | | |
| 76 | S | 49.7 | Very low | 55.3 | Low | 90 Ų | 90 | 141.1 Ų | 141.1 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 144 | 177.9 | 68.2 | 0 | 0 | 0 | 0 | 110.1 | S74 S78 | S74-S76 PolarHBondContact O-N 2.7Å; S76-S78 PolarHBondContact O-N 3.05Å |
| 77 | P | 52.2 | Low | 54.3 | Low | 137 Ų | 137 | 142.2 Ų | 142.2 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | -80.1 | 67.1 | 178.5 | 34.5 | -33.5 | 0 | 0 | 0 | 108.6 | | |
| 78 | S | 50.5 | Low | 54.3 | Low | 89 Ų | 89 | 143.1 Ų | 143.1 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | | | trans | -94.9 | 112.8 | 168.8 | 66.8 | 0 | 0 | 0 | 0 | 110.1 | S76 | S76-S78 PolarHBondContact O-N 3.05Š|
| 79 | E | 51.8 | Low | 54.2 | Low | 189 Ų | 189 | 144.9 Ų | 144.9 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | 58.9 | 72 | 137.8 | -155.6 | 174.5 | -166.6 | 0 | 0 | 116.8 | | |
| 80 | R | 51.7 | Low | 53.4 | Low | 237 Ų | 237 | 146.2 Ų | 146.2 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | | | trans | -138 | 57.5 | 157.9 | -145.3 | -175.1 | -75.1 | 165 | -3.8 | 113.3 | | |
| 81 | N | 56.2 | Low | 52.8 | Low | 168 Ų | 168 | 146 Ų | 146 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -117.4 | 67.2 | 163.6 | -75.1 | -37.9 | 0 | 0 | 0 | 110.1 | | |
| 82 | R | 54.3 | Low | 52.3 | Low | 226 Ų | 226 | 144.7 Ų | 144.7 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -163.7 | 72 | 167.4 | -157.2 | -177.5 | -97.2 | -127.6 | 2.8 | 114.2 | | |
| 83 | R | 43.5 | Very low | 51.9 | Low | 239 Ų | 239 | 143 Ų | 143 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | 167.1 | 116.7 | 154.8 | -107.5 | 164.5 | -98.7 | -106 | 1.2 | 106.1 | | |
| 84 | G | 52.1 | Low | 51.1 | Low | 59 Ų | 59 | 143.7 Ų | 143.7 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | cis | 95.4 | 105.1 | 47.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 85 | N | 46.6 | Very low | 51.5 | Low | 165 Ų | 165 | 145.3 Ų | 145.3 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | | | trans | 122 | 120.7 | 148.9 | -54.4 | -31.1 | 0 | 0 | 0 | 116.4 | | |
| 86 | S | 56.2 | Low | 51.6 | Low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -50.5 | 132.8 | 167.3 | 46.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 87 | D | 42.3 | Very low | 51.9 | Low | 157 Ų | 157 | 149.8 Ų | 149.8 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | | | trans | -119.5 | 110.9 | 155.9 | -159.2 | 3.6 | 0 | 0 | 0 | 108.9 | V89 | D87-V89 PolarHBondContact O-N 2.8Š|
| 88 | L | 59.4 | Low | 52.5 | Low | 157 Ų | 157 | 150.7 Ų | 150.7 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -93 | 74.2 | -169.8 | -79.9 | 167.6 | 0 | 0 | 0 | 110.2 | | |
| 89 | V | 55.9 | Low | 52.5 | Low | 116 Ų | 116 | 151.2 Ų | 151.2 | 70% | 0.703 | 79% | 0.793 | S | S | * | * | | | trans | -153 | 96 | 166.8 | -166.3 | 0 | 0 | 0 | 0 | 111.5 | D87 | D87-V89 PolarHBondContact O-N 2.8Š|
| 90 | T | 44.7 | Very low | 52.7 | Low | 121 Ų | 121 | 150.1 Ų | 150.1 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | | 171.9 | 109.2 | 123.1 | 26.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 91 | N | 47 | Very low | 52.9 | Low | 153 Ų | 153 | 145.1 Ų | 145.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 55.3 | 87 | 135.9 | -54.3 | -22.6 | 0 | 0 | 0 | 118.6 | | |
| 92 | G | 53.6 | Low | 52.7 | Low | 75 Ų | 75 | 141.6 Ų | 141.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | S | Bend | | 62.9 | 79.3 | 124.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 93 | L | 49.7 | Very low | 52.8 | Low | 153 Ų | 153 | 142.7 Ų | 142.7 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | | | | -175.4 | 76.3 | 118.7 | -156.5 | 81.6 | 0 | 0 | 0 | 107.6 | N95 | L93-N95 PolarHBondContact O-N 2.79Š|
| 94 | I | 45.5 | Very low | 54.2 | Low | 156 Ų | 156 | 137.6 Ų | 137.6 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | trans | -80.5 | 92.7 | 179 | -32.8 | 169.7 | 0 | 0 | 0 | 106.3 | K96 | I94-K96 PolarHBondContact O-N 2.61Å; I94-K96 VanDerWaalsContact O-N 3.08Å |
| 95 | N | 59.3 | Low | 55.6 | Low | 135 Ų | 135 | 145.5 Ų | 145.5 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -53.5 | 117.4 | 156.5 | -69.6 | -39.1 | 0 | 0 | 0 | 105.8 | L93 | L93-N95 PolarHBondContact O-N 2.79Š|
| 96 | K | 61.4 | Low | 57.4 | Low | 189 Ų | 189 | 143 Ų | 143 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | -51.5 | 130.1 | 177 | -69.1 | -170.2 | 177 | -174.6 | 0 | 107.6 | I94 Q98 | I94-K96 PolarHBondContact O-N 2.61Å; I94-K96 VanDerWaalsContact O-N 3.08Å; K96-Q98 VanDerWaalsContact C-N 3.28Å; K96-Q98 PolarHBondContact O-N 2.88Å |
| 97 | P | 56.8 | Low | 59.2 | Low | 119 Ų | 119 | 142.5 Ų | 142.5 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | trans | -64.2 | 103.7 | 163.1 | 26.6 | -29.5 | 0 | 0 | 0 | 105.6 | | |
| 98 | Q | 63.8 | Low | 61.6 | Low | 157 Ų | 157 | 139.7 Ų | 139.7 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | | | trans | -51.9 | 137.8 | 168.8 | -174.5 | 164.3 | -8.8 | 0 | 0 | 107.4 | K96 L100 | K96-Q98 VanDerWaalsContact C-N 3.28Å; K96-Q98 PolarHBondContact O-N 2.88Å; Q98-L100 PolarHBondContact O-N 3Å; Q98-L100 VanDerWaalsContact O-N 3.11Å |
| 99 | P | 50.2 | Low | 63.1 | Low | 100 Ų | 100 | 135.5 Ų | 135.5 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | | | trans | -51.5 | 126.2 | 176.7 | -21.7 | 32 | 0 | 0 | 0 | 108.4 | D101 | P99-D101 PolarHBondContact O-N 3.19Š|
| 100 | L | 56 | Low | 64.9 | Low | 165 Ų | 165 | 133.7 Ų | 133.7 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | | | trans | -63.4 | 82.1 | 174.8 | -79.5 | 162.9 | 0 | 0 | 0 | 108.3 | Q98 S102 | Q98-L100 PolarHBondContact O-N 3Å; Q98-L100 VanDerWaalsContact O-N 3.11Å; L100-S102 VanDerWaalsContact C-N 3.25Å; L100-S102 PolarHBondContact O-N 2.87Å |
| 101 | D | 55.6 | Low | 67.2 | Low | 132 Ų | 132 | 131.3 Ų | 131.3 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | | | trans | -69 | 87.1 | 172.4 | -82 | -28.7 | 0 | 0 | 0 | 108.3 | P99 | P99-D101 PolarHBondContact O-N 3.19Š|
| 102 | S | 53 | Low | 69.3 | Low | 94 Ų | 94 | 128.5 Ų | 128.5 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 60.2 | 129.9 | 179.9 | 73.5 | 0 | 0 | 0 | 0 | 113.8 | L100 E104 | L100-S102 VanDerWaalsContact C-N 3.25Å; L100-S102 PolarHBondContact O-N 2.87Å; S102-E104 PolarHBondContact O-N 2.94Å |
| 103 | R | 56.5 | Low | 71.1 | Confident | 249 Ų | 249 | 131.1 Ų | 131.1 | 94% | 0.94 | 66% | 0.663 | S | S | * | * | | | trans | -70.7 | 52.1 | 179 | -170.9 | -172.7 | 174.3 | -151.4 | 2.2 | 110.8 | R105 | R103-R105 PolarHBondContact O-N 3.04Š|
| 104 | E | 72.1 | Confident | 73.2 | Confident | 133 Ų | 133 | 128.2 Ų | 128.2 | 62% | 0.621 | 65% | 0.645 | S | S | * | * | | | trans | -69.1 | 123.1 | 165 | -156.6 | 175.2 | -161.6 | 0 | 0 | 106 | S102 Q106 K107 | S102-E104 PolarHBondContact O-N 2.94Å; E104-Q106 PolarHBondContact O-N 3.36Å; E104-K107 IonicContact OE1-NZ 2.63Å; E104-K107 PolarHBondContact OE1-NZ 3.22Å; E104-K107 WeakPolarHBondContact OE2-CE 3.41Å; E104-K107 IonicContact OE2-NZ 3.24Å; E104-K107 PolarHBondContact OE2-NZ 2.91Å |
| 105 | R | 81.3 | Confident | 75.5 | Confident | 225 Ų | 225 | 123.5 Ų | 123.5 | 85% | 0.849 | 62% | 0.621 | S | S | * | * | | | trans | -52.8 | 140 | 176.9 | -70.5 | -179.5 | 174.4 | -157.8 | -1.3 | 108.2 | R103 K107 | R103-R105 PolarHBondContact O-N 3.04Å; R105-K107 PolarHBondContact O-N 2.93Å |
| 106 | Q | 85.7 | Confident | 77 | Confident | 111 Ų | 111 | 119.7 Ų | 119.7 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | | | trans | -45.7 | 132 | 170.9 | -174.2 | -179.6 | -11.9 | 0 | 0 | 108.8 | E104 S108 D110 I111 | E104-Q106 PolarHBondContact O-N 3.36Å; Q106-S108 PolarHBondContact O-N 3.41Å; Q106-D110 HydrophobicContact CG-CB 4.38Å; Q106-I111 HydrophobicContact CB-CD1 4.23Å; Q106-I111 HydrophobicContact CB-CG1 4.31Å; Q106-I111 VanDerWaalsContact CD-CG1 3.43Å; Q106-I111 HydrophobicContact CG-CD1 4.21Å; Q106-I111 HydrophobicContact CG-CG1 3.74Å |
| 107 | K | 93.8 | Very high | 78.6 | Confident | 95 Ų | 95 | 116.2 Ų | 116.2 | 41% | 0.413 | 60% | 0.595 | S | S | . | * | | | trans | -65 | 140.3 | -178.3 | -59.3 | -65.8 | 179.1 | 175.1 | 0 | 108.1 | E104 R105 S109 D110 I111 | E104-K107 IonicContact OE1-NZ 2.63Å; E104-K107 PolarHBondContact OE1-NZ 3.22Å; E104-K107 WeakPolarHBondContact OE2-CE 3.41Å; E104-K107 IonicContact OE2-NZ 3.24Å; E104-K107 PolarHBondContact OE2-NZ 2.91Å; R105-K107 PolarHBondContact O-N 2.93Å; K107-S109 WeakPolarHBondContact CB-OG 3.42Å; K107-S109 PolarHBondContact O-N 3.41Å; K107-D110 PolarHBondContact O-N 3.22Å; K107-D110 VanDerWaalsContact O-N 3.11Å; K107-I111 PolarHBondContact O-N 3.23Å |
| 108 | S | 92.1 | Very high | 80.4 | Confident | 99 Ų | 99 | 115.5 Ų | 115.5 | 69% | 0.692 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.2 | -25.6 | 179.2 | 51 | 0 | 0 | 0 | 0 | 112.6 | Q106 L112 | Q106-S108 PolarHBondContact O-N 3.41Å; S108-L112 VanDerWaalsContact O-CB 3.26Å; S108-L112 WeakPolarHBondContact O-CB 3.38Å; S108-L112 PolarHBondContact O-N 2.86Å |
| 109 | S | 91.6 | Very high | 81.5 | Confident | 69 Ų | 69 | 110.9 Ų | 110.9 | 48% | 0.483 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.1 | -45.8 | 172.3 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | K107 L112 E113 | K107-S109 WeakPolarHBondContact CB-OG 3.42Å; K107-S109 PolarHBondContact O-N 3.41Å; S109-L112 PolarHBondContact O-N 3.32Å; S109-E113 PolarHBondContact O-N 2.82Å |
| 110 | D | 92.3 | Very high | 83.4 | Confident | 78 Ų | 78 | 111.4 Ų | 111.4 | 42% | 0.417 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.8 | -38.3 | -173.2 | -49.6 | -9.2 | 0 | 0 | 0 | 109.3 | Q106 K107 L112 E114 | Q106-D110 HydrophobicContact CG-CB 4.38Å; K107-D110 PolarHBondContact O-N 3.22Å; K107-D110 VanDerWaalsContact O-N 3.11Å; D110-L112 VanDerWaalsContact C-N 3.33Å; D110-E114 WeakPolarHBondContact O-CB 3.28Å; D110-E114 PolarHBondContact O-N 3.18Å |
| 111 | I | 93.5 | Very high | 84.9 | Confident | 70 Ų | 70 | 106.5 Ų | 106.5 | 36% | 0.359 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 170.9 | -60.3 | 170 | 0 | 0 | 0 | 110.1 | Q106 K107 E114 L115 | Q106-I111 HydrophobicContact CB-CD1 4.23Å; Q106-I111 HydrophobicContact CB-CG1 4.31Å; Q106-I111 VanDerWaalsContact CD-CG1 3.43Å; Q106-I111 HydrophobicContact CG-CD1 4.21Å; Q106-I111 HydrophobicContact CG-CG1 3.74Å; K107-I111 PolarHBondContact O-N 3.23Å; I111-E114 PolarHBondContact O-N 3.04Å; I111-L115 HydrophobicContact CG2-CD1 4.06Å; I111-L115 HydrophobicContact CG2-CG 4.4Å; I111-L115 VanDerWaalsContact O-CG 3.28Å; I111-L115 WeakPolarHBondContact O-CG 3.47Å; I111-L115 PolarHBondContact O-N 3.25Å |
| 112 | L | 92.3 | Very high | 86.2 | Confident | 95 Ų | 95 | 105.3 Ų | 105.3 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | -178.1 | -170.6 | 71.4 | 0 | 0 | 0 | 111.6 | S108 S109 D110 E114 L115 I116 I121 | S108-L112 VanDerWaalsContact O-CB 3.26Å; S108-L112 WeakPolarHBondContact O-CB 3.38Å; S108-L112 PolarHBondContact O-N 2.86Å; S109-L112 PolarHBondContact O-N 3.32Å; D110-L112 VanDerWaalsContact C-N 3.33Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-L115 PolarHBondContact O-N 2.95Å; L112-I116 HydrophobicContact CG-CD1 4.26Å; L112-I116 WeakPolarHBondContact O-CD1 3.3Å; L112-I116 VanDerWaalsContact O-CG1 3.27Å; L112-I116 WeakPolarHBondContact O-CG1 3.49Å; L112-I116 PolarHBondContact O-N 3.11Å; L112-I121 HydrophobicContact CD1-CD1 3.38Å; L112-I121 HydrophobicContact CG-CD1 4.28Å |
| 113 | E | 91.6 | Very high | 87.4 | Confident | 129 Ų | 129 | 104.3 Ų | 104.3 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.4 | -44.8 | 174.2 | -177.1 | 175.5 | -172.5 | 0 | 0 | 111.2 | S109 L115 I116 V117 | S109-E113 PolarHBondContact O-N 2.82Å; E113-L115 PolarHBondContact O-N 3.38Å; E113-I116 WeakPolarHBondContact O-CB 3.4Å; E113-I116 PolarHBondContact O-N 3.13Å; E113-V117 HydrophobicContact CG-CG2 4.36Å; E113-V117 WeakPolarHBondContact O-CB 3.37Å; E113-V117 VanDerWaalsContact O-CG2 3.28Å; E113-V117 WeakPolarHBondContact O-CG2 3.5Å; E113-V117 PolarHBondContact O-N 2.82Å |
| 114 | E | 93.6 | Very high | 87.9 | Confident | 93 Ų | 93 | 97.8 Ų | 97.8 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 178.2 | -173.8 | -176.2 | 158.9 | 0 | 0 | 111.9 | D110 I111 L112 I116 V117 Q118 | D110-E114 WeakPolarHBondContact O-CB 3.28Å; D110-E114 PolarHBondContact O-N 3.18Å; I111-E114 PolarHBondContact O-N 3.04Å; L112-E114 VanDerWaalsContact C-N 3.35Å; E114-I116 VanDerWaalsContact C-N 3.26Å; E114-I116 PolarHBondContact O-N 3.32Å; E114-V117 PolarHBondContact O-N 3.03Å; E114-Q118 HydrophobicContact CG-CG 4.47Å; E114-Q118 WeakPolarHBondContact O-CB 3.38Å; E114-Q118 VanDerWaalsContact O-CG 3.27Å; E114-Q118 WeakPolarHBondContact O-CG 3.36Å; E114-Q118 PolarHBondContact O-N 3.07Å; E114-Q118 PolarHBondContact OE1-NE2 3.07Å |
| 115 | L | 93.4 | Very high | 87.6 | Confident | 56 Ų | 56 | 95.6 Ų | 95.6 | 29% | 0.293 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -33.5 | 178.2 | -67.7 | 174.9 | 0 | 0 | 0 | 112.3 | I111 L112 E113 G119 I120 I121 | I111-L115 HydrophobicContact CG2-CD1 4.06Å; I111-L115 HydrophobicContact CG2-CG 4.4Å; I111-L115 VanDerWaalsContact O-CG 3.28Å; I111-L115 WeakPolarHBondContact O-CG 3.47Å; I111-L115 PolarHBondContact O-N 3.25Å; L112-L115 PolarHBondContact O-N 2.95Å; E113-L115 PolarHBondContact O-N 3.38Å; L115-G119 PolarHBondContact O-N 3.22Å; L115-I120 HydrophobicContact CD2-CB 4.41Å; L115-I120 HydrophobicContact CD2-CD1 3.81Å; L115-I120 HydrophobicContact CD2-CG2 4.44Å; L115-I120 PolarHBondContact O-N 3.1Å; L115-I121 HydrophobicContact CB-CD1 3.74Å; L115-I121 HydrophobicContact CB-CG1 3.82Å; L115-I121 HydrophobicContact CD1-CD1 4.44Å; L115-I121 PolarHBondContact O-N 2.9Å |
| 116 | I | 91.6 | Very high | 86.8 | Confident | 56 Ų | 56 | 91.1 Ų | 91.1 | 29% | 0.287 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.4 | -48 | 173.1 | -74.6 | 167 | 0 | 0 | 0 | 110.7 | L112 E113 E114 Q118 G119 I121 | L112-I116 HydrophobicContact CG-CD1 4.26Å; L112-I116 WeakPolarHBondContact O-CD1 3.3Å; L112-I116 VanDerWaalsContact O-CG1 3.27Å; L112-I116 WeakPolarHBondContact O-CG1 3.49Å; L112-I116 PolarHBondContact O-N 3.11Å; E113-I116 WeakPolarHBondContact O-CB 3.4Å; E113-I116 PolarHBondContact O-N 3.13Å; E114-I116 VanDerWaalsContact C-N 3.26Å; E114-I116 PolarHBondContact O-N 3.32Å; I116-Q118 VanDerWaalsContact C-N 3.3Å; I116-Q118 PolarHBondContact O-N 3.48Å; I116-G119 WeakPolarHBondContact O-CA 3.48Å; I116-G119 PolarHBondContact O-N 3.36Å; I116-I121 HydrophobicContact CG1-CD1 3.92Å; I116-I121 HydrophobicContact CG1-CG1 3.68Å |
| 117 | V | 93.7 | Very high | 85.6 | Confident | 116 Ų | 116 | 90.7 Ų | 90.7 | 70% | 0.703 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64 | -37.1 | -179 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | E113 E114 G119 | E113-V117 HydrophobicContact CG-CG2 4.36Å; E113-V117 WeakPolarHBondContact O-CB 3.37Å; E113-V117 VanDerWaalsContact O-CG2 3.28Å; E113-V117 WeakPolarHBondContact O-CG2 3.5Å; E113-V117 PolarHBondContact O-N 2.82Å; E114-V117 PolarHBondContact O-N 3.03Å; V117-G119 PolarHBondContact O-N 2.96Å |
| 118 | Q | 94.2 | Very high | 84.2 | Confident | 104 Ų | 104 | 92.5 Ų | 92.5 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -12.5 | 173.3 | -70.6 | 173.5 | 2.4 | 0 | 0 | 113.1 | E114 I116 I120 | E114-Q118 HydrophobicContact CG-CG 4.47Å; E114-Q118 WeakPolarHBondContact O-CB 3.38Å; E114-Q118 VanDerWaalsContact O-CG 3.27Å; E114-Q118 WeakPolarHBondContact O-CG 3.36Å; E114-Q118 PolarHBondContact O-N 3.07Å; E114-Q118 PolarHBondContact OE1-NE2 3.07Å; I116-Q118 VanDerWaalsContact C-N 3.3Å; I116-Q118 PolarHBondContact O-N 3.48Å; Q118-I120 VanDerWaalsContact C-N 3.26Å; Q118-I120 HydrophobicContact CB-CD1 4.11Å; Q118-I120 HydrophobicContact CB-CG1 3.97Å; Q118-I120 PolarHBondContact O-N 3.23Å |
| 119 | G | 87.7 | Confident | 83.3 | Confident | 59 Ų | 59 | 99.8 Ų | 99.8 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 17.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L115 I116 V117 | L115-G119 PolarHBondContact O-N 3.22Å; I116-G119 WeakPolarHBondContact O-CA 3.48Å; I116-G119 PolarHBondContact O-N 3.36Å; V117-G119 PolarHBondContact O-N 2.96Å |
| 120 | I | 89.7 | Confident | 82.6 | Confident | 111 Ų | 111 | 104 Ų | 104 | 57% | 0.569 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -72.5 | -38.2 | 176 | -63.5 | 177.7 | 0 | 0 | 0 | 109.9 | L115 Q118 | L115-I120 HydrophobicContact CD2-CB 4.41Å; L115-I120 HydrophobicContact CD2-CD1 3.81Å; L115-I120 HydrophobicContact CD2-CG2 4.44Å; L115-I120 PolarHBondContact O-N 3.1Å; Q118-I120 VanDerWaalsContact C-N 3.26Å; Q118-I120 HydrophobicContact CB-CD1 4.11Å; Q118-I120 HydrophobicContact CB-CG1 3.97Å; Q118-I120 PolarHBondContact O-N 3.23Å |
| 121 | I | 86.8 | Confident | 82 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 32% | 0.318 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -125.2 | 148.7 | 176.8 | 66.5 | 177.4 | 0 | 0 | 0 | 110.5 | L112 L115 I116 | L112-I121 HydrophobicContact CD1-CD1 3.38Å; L112-I121 HydrophobicContact CG-CD1 4.28Å; L115-I121 HydrophobicContact CB-CD1 3.74Å; L115-I121 HydrophobicContact CB-CG1 3.82Å; L115-I121 HydrophobicContact CD1-CD1 4.44Å; L115-I121 PolarHBondContact O-N 2.9Å; I116-I121 HydrophobicContact CG1-CD1 3.92Å; I116-I121 HydrophobicContact CG1-CG1 3.68Å |
| 122 | Q | 84.1 | Confident | 81.2 | Confident | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | | | trans | -78.6 | 131.2 | 176.5 | -168.8 | 170.1 | 1.2 | 0 | 0 | 110.1 | H124 | Q122-H124 PolarHBondContact O-N 3.24Å; Q122-H124 VanDerWaalsContact O-N 3.08Å |
| 123 | S | 78 | Confident | 80.6 | Confident | 73 Ų | 73 | 104.4 Ų | 104.4 | 51% | 0.51 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -62.1 | -16.9 | -177.7 | 55.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 124 | H | 67.7 | Low | 79.8 | Confident | 113 Ų | 113 | 104 Ų | 104 | 52% | 0.523 | 56% | 0.556 | S | S | . | * | | | trans | -153 | 103 | 179.8 | 53.4 | -74.9 | 0 | 0 | 0 | 109 | Q122 K126 | Q122-H124 PolarHBondContact O-N 3.24Å; Q122-H124 VanDerWaalsContact O-N 3.08Å; H124-K126 PolarHBondContact O-N 3.11Å; H124-K126 VanDerWaalsContact O-N 3.12Å |
| 125 | S | 65.1 | Low | 79.2 | Confident | 86 Ų | 86 | 106.6 Ų | 106.6 | 60% | 0.601 | 57% | 0.573 | S | S | * | * | | | trans | -72.3 | 102 | 161.7 | 54.5 | 0 | 0 | 0 | 0 | 107 | V127 | S125-V127 PolarHBondContact O-N 2.88Š|
| 126 | K | 65.1 | Low | 78.6 | Confident | 132 Ų | 132 | 109.4 Ų | 109.4 | 57% | 0.574 | 59% | 0.593 | S | S | * | * | | | trans | -85.6 | 70.7 | -179.7 | -157.6 | 173.2 | -174.7 | 176.8 | 0 | 107.9 | H124 F128 E132 | H124-K126 PolarHBondContact O-N 3.11Å; H124-K126 VanDerWaalsContact O-N 3.12Å; K126-F128 HydrophobicContact CB-CE2 4.35Å; K126-F128 HydrophobicContact CD-CE2 3.73Å; K126-F128 HydrophobicContact CD-CZ 3.91Å; K126-F128 HydrophobicContact CG-CD2 4.29Å; K126-F128 HydrophobicContact CG-CE2 3.76Å; K126-F128 HydrophobicContact CG-CZ 4.17Å; K126-F128 VanDerWaalsContact O-CD2 3.23Å; K126-F128 WeakPolarHBondContact O-CD2 3.3Å; K126-F128 PolarHBondContact O-N 3.32Å; K126-E132 VanDerWaalsContact C-CD 3.43Å; K126-E132 VanDerWaalsContact O-OE1 3.09Å |
| 127 | V | 59.9 | Low | 78 | Confident | 102 Ų | 102 | 111.5 Ų | 111.5 | 62% | 0.618 | 61% | 0.608 | S | S | * | * | | | trans | -68.3 | 87.9 | 179.8 | -165.8 | 0 | 0 | 0 | 0 | 108.5 | S125 E132 | S125-V127 PolarHBondContact O-N 2.88Å; V127-E132 WeakPolarHBondContact CA-OE1 3.42Å; V127-E132 WeakPolarHBondContact CB-OE1 3.43Å; V127-E132 WeakPolarHBondContact CG2-OE1 3.48Å; V127-E132 PolarHBondContact N-OE1 3.41Å |
| 128 | F | 63.7 | Low | 77.3 | Confident | 133 Ų | 133 | 113 Ų | 113 | 58% | 0.583 | 61% | 0.612 | S | S | * | * | | | trans | -60.6 | 136.9 | 162.7 | -73.2 | -82.4 | 0 | 0 | 0 | 106.7 | K126 N130 G131 | K126-F128 HydrophobicContact CB-CE2 4.35Å; K126-F128 HydrophobicContact CD-CE2 3.73Å; K126-F128 HydrophobicContact CD-CZ 3.91Å; K126-F128 HydrophobicContact CG-CD2 4.29Å; K126-F128 HydrophobicContact CG-CE2 3.76Å; K126-F128 HydrophobicContact CG-CZ 4.17Å; K126-F128 VanDerWaalsContact O-CD2 3.23Å; K126-F128 WeakPolarHBondContact O-CD2 3.3Å; K126-F128 PolarHBondContact O-N 3.32Å; F128-N130 PolarHBondContact O-N 2.84Å; F128-G131 PolarHBondContact O-N 3.44Å |
| 129 | R | 74.6 | Confident | 75.9 | Confident | 252 Ų | 252 | 114 Ų | 114 | 95% | 0.951 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -0.6 | -175.2 | -73.4 | -174.2 | 172.6 | -141.3 | -0.9 | 115.6 | | |
| 130 | N | 76.3 | Confident | 74.7 | Confident | 156 Ų | 156 | 115.8 Ų | 115.8 | 83% | 0.834 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 24.4 | -173.5 | -59 | 8.7 | 0 | 0 | 0 | 113.4 | F128 | F128-N130 PolarHBondContact O-N 2.84Š|
| 131 | G | 78.4 | Confident | 73.2 | Confident | 63 Ų | 63 | 118 Ų | 118 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | | | trans | 80 | 139.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F128 | F128-G131 PolarHBondContact O-N 3.44Š|
| 132 | E | 77.1 | Confident | 72.1 | Confident | 67 Ų | 67 | 122 Ų | 122 | 31% | 0.313 | 66% | 0.66 | S | S | . | * | | | trans | -107.9 | 135.7 | 175.2 | -63.6 | -171.9 | -109.5 | 0 | 0 | 109.4 | K126 V127 Y134 | K126-E132 VanDerWaalsContact C-CD 3.43Å; K126-E132 VanDerWaalsContact O-OE1 3.09Å; V127-E132 WeakPolarHBondContact CA-OE1 3.42Å; V127-E132 WeakPolarHBondContact CB-OE1 3.43Å; V127-E132 WeakPolarHBondContact CG2-OE1 3.48Å; V127-E132 PolarHBondContact N-OE1 3.41Å; E132-Y134 HydrophobicContact CB-CD2 4.49Å; E132-Y134 HydrophobicContact CB-CE2 3.78Å; E132-Y134 PolarHBondContact OE1-OH 3.22Å; E132-Y134 PolarHBondContact OE2-OH 3.44Å |
| 133 | S | 79.5 | Confident | 71.2 | Confident | 122 Ų | 122 | 125.4 Ų | 125.4 | 85% | 0.853 | 67% | 0.673 | S | S | * | * | | | trans | -116.1 | 133.2 | 167.1 | 56.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 134 | Y | 76.4 | Confident | 70.8 | Confident | 121 Ų | 121 | 127.5 Ų | 127.5 | 48% | 0.475 | 69% | 0.685 | S | S | . | * | | | trans | -116 | 130.6 | 178.7 | -60.8 | -86.3 | 0 | 0 | 0 | 109.1 | E132 V136 | E132-Y134 HydrophobicContact CB-CD2 4.49Å; E132-Y134 HydrophobicContact CB-CE2 3.78Å; E132-Y134 PolarHBondContact OE1-OH 3.22Å; E132-Y134 PolarHBondContact OE2-OH 3.44Å; Y134-V136 PolarHBondContact O-N 3.36Å |
| 135 | D | 79.8 | Confident | 70.8 | Confident | 148 Ų | 148 | 129 Ų | 129 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | | | trans | -90.5 | 92.7 | 166.3 | -171 | 14.9 | 0 | 0 | 0 | 108 | T137 | D135-T137 VanDerWaalsContact C-N 3.34Å; D135-T137 PolarHBondContact O-N 2.81Å; D135-T137 VanDerWaalsContact O-N 3.09Å |
| 136 | V | 80.1 | Confident | 71.4 | Confident | 115 Ų | 115 | 135.4 Ų | 135.4 | 70% | 0.697 | 71% | 0.707 | S | S | * | * | | | trans | -82.7 | 83.4 | -179.8 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | Y134 L138 | Y134-V136 PolarHBondContact O-N 3.36Å; V136-L138 PolarHBondContact O-N 3.45Å |
| 137 | T | 79 | Confident | 72.2 | Confident | 99 Ų | 99 | 138.3 Ų | 138.3 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | | | trans | -81.3 | 107.5 | 170 | 60.9 | 0 | 0 | 0 | 0 | 108.9 | D135 T139 | D135-T137 VanDerWaalsContact C-N 3.34Å; D135-T137 PolarHBondContact O-N 2.81Å; D135-T137 VanDerWaalsContact O-N 3.09Å; T137-T139 PolarHBondContact O-N 2.96Å; T137-T139 VanDerWaalsContact O-N 3.13Å |
| 138 | L | 80.4 | Confident | 73.4 | Confident | 149 Ų | 149 | 138.8 Ų | 138.8 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | | | trans | -62.2 | 115.2 | 166 | -64.2 | 176.4 | 0 | 0 | 0 | 107.4 | V136 T140 | V136-L138 PolarHBondContact O-N 3.45Å; L138-T140 PolarHBondContact O-N 3.25Å |
| 139 | T | 64.4 | Low | 74.5 | Confident | 125 Ų | 125 | 138.2 Ų | 138.2 | 77% | 0.767 | 74% | 0.735 | S | S | * | * | | | trans | -67.6 | 79.7 | 174.7 | 42.8 | 0 | 0 | 0 | 0 | 109 | T137 T141 | T137-T139 PolarHBondContact O-N 2.96Å; T137-T139 VanDerWaalsContact O-N 3.13Å; T139-T141 VanDerWaalsContact C-N 3.33Å; T139-T141 PolarHBondContact O-N 3.3Å |
| 140 | T | 63.3 | Low | 75.1 | Confident | 96 Ų | 96 | 131 Ų | 131 | 59% | 0.589 | 73% | 0.729 | S | S | * | * | | | trans | -60.1 | 106.2 | 157.4 | 55.7 | 0 | 0 | 0 | 0 | 105.2 | L138 E142 | L138-T140 PolarHBondContact O-N 3.25Å; T140-E142 PolarHBondContact O-N 2.87Å; T140-E142 VanDerWaalsContact O-O 3.13Å |
| 141 | T | 58.3 | Low | 75.5 | Confident | 157 Ų | 157 | 134.1 Ų | 134.1 | 96% | 0.963 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -60.6 | 15 | 176.6 | 21.4 | 0 | 0 | 0 | 0 | 113.8 | T139 | T139-T141 VanDerWaalsContact C-N 3.33Å; T139-T141 PolarHBondContact O-N 3.3Å |
| 142 | E | 63.1 | Low | 75.7 | Confident | 146 Ų | 146 | 138.8 Ų | 138.8 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -112.1 | 138 | 177.2 | -140.7 | 176 | 175.9 | 0 | 0 | 109 | T140 | T140-E142 PolarHBondContact O-N 2.87Å; T140-E142 VanDerWaalsContact O-O 3.13Å |
| 143 | K | 65.5 | Low | 76 | Confident | 178 Ų | 178 | 144.9 Ų | 144.9 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | trans | -32.5 | 143.8 | -177.8 | -60.7 | 161.7 | -173.9 | 169.3 | 0 | 111.7 | L145 | K143-L145 PolarHBondContact O-N 3.2Š|
| 144 | P | 68.3 | Low | 76 | Confident | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | trans | -47.7 | 110.4 | 179.3 | 19.6 | -31.9 | 0 | 0 | 0 | 109.7 | R146 | P144-R146 PolarHBondContact O-N 2.8Š|
| 145 | L | 68.9 | Low | 75.7 | Confident | 145 Ų | 145 | 148.6 Ų | 148.6 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -60.8 | -16.3 | -171.4 | -68.4 | 171.7 | 0 | 0 | 0 | 111.9 | K143 | K143-L145 PolarHBondContact O-N 3.2Š|
| 146 | R | 76.8 | Confident | 75.2 | Confident | 220 Ų | 220 | 148.1 Ų | 148.1 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -127.6 | 127.3 | 175.4 | -68.4 | -172.7 | 171.6 | 179 | -1.8 | 111 | P144 | P144-R146 PolarHBondContact O-N 2.8Š|
| 147 | K | 82.3 | Confident | 74.5 | Confident | 194 Ų | 194 | 148.5 Ų | 148.5 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 144.7 | 161.1 | -63.6 | 175 | -176.8 | 174.3 | 0 | 107.7 | | |
| 148 | P | 84.4 | Confident | 73.9 | Confident | 112 Ų | 112 | 154.1 Ų | 154.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 151.5 | 171.3 | 24.5 | -33.3 | 0 | 0 | 0 | 109.9 | A150 | P148-A150 PolarHBondContact O-N 2.79Š|
| 149 | P | 87.3 | Confident | 73.2 | Confident | 121 Ų | 121 | 156 Ų | 156 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 138.1 | 179.1 | -26.7 | 33.3 | 0 | 0 | 0 | 111.4 | R151 | P149-R151 PolarHBondContact O-N 3.42Š|
| 150 | A | 87.8 | Confident | 73 | Confident | 99 Ų | 99 | 157.4 Ų | 157.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | P148 L152 | P148-A150 PolarHBondContact O-N 2.79Å; A150-L152 PolarHBondContact O-N 3.01Å |
| 151 | R | 83.7 | Confident | 73 | Confident | 222 Ų | 222 | 157.4 Ų | 157.4 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 118.1 | 175.2 | -62.7 | 176.2 | 70.7 | 176.3 | 7.3 | 107.2 | P149 | P149-R151 PolarHBondContact O-N 3.42Š|
| 152 | L | 84.1 | Confident | 73.7 | Confident | 162 Ų | 162 | 157.5 Ų | 157.5 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 144.7 | 170.9 | -62.6 | 176.5 | 0 | 0 | 0 | 109.3 | A150 K154 | A150-L152 PolarHBondContact O-N 3.01Å; L152-K154 PolarHBondContact O-N 3.33Å |
| 153 | K | 82.2 | Confident | 74.5 | Confident | 195 Ų | 195 | 156.9 Ų | 156.9 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 132.7 | 173.1 | -68.5 | -180 | -178.7 | 176.5 | 0 | 107.6 | L155 | K153-L155 VanDerWaalsContact C-N 3.34Å; K153-L155 PolarHBondContact O-N 3.42Å |
| 154 | K | 79.9 | Confident | 75.4 | Confident | 187 Ų | 187 | 155.3 Ų | 155.3 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | trans | -59.9 | 99.7 | 176.8 | -67.4 | -178.9 | -179.1 | 178.5 | 0 | 107.4 | L152 T156 | L152-K154 PolarHBondContact O-N 3.33Å; K154-T156 PolarHBondContact O-N 2.83Å |
| 155 | L | 71.1 | Confident | 76.6 | Confident | 134 Ų | 134 | 153.4 Ų | 153.4 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | | | trans | -61.1 | 124 | 165.7 | -62.9 | 177.8 | 0 | 0 | 0 | 105.3 | K153 I157 | K153-L155 VanDerWaalsContact C-N 3.34Å; K153-L155 PolarHBondContact O-N 3.42Å; L155-I157 HydrophobicContact CB-CD1 3.9Å; L155-I157 HydrophobicContact CB-CG1 3.8Å; L155-I157 HydrophobicContact CD1-CD1 3.87Å; L155-I157 HydrophobicContact CD1-CG1 4.46Å; L155-I157 PolarHBondContact O-N 2.96Å |
| 156 | T | 67.9 | Low | 77.8 | Confident | 137 Ų | 137 | 153.6 Ų | 153.6 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | | | trans | -72.6 | 52.1 | 167.1 | 56.2 | 0 | 0 | 0 | 0 | 108.6 | K154 R158 | K154-T156 PolarHBondContact O-N 2.83Å; T156-R158 PolarHBondContact O-N 2.84Å |
| 157 | I | 65.4 | Low | 78.7 | Confident | 124 Ų | 124 | 150.8 Ų | 150.8 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | trans | -64.8 | 93.7 | 157.6 | -59.9 | 162.8 | 0 | 0 | 0 | 101.6 | L155 K159 | L155-I157 HydrophobicContact CB-CD1 3.9Å; L155-I157 HydrophobicContact CB-CG1 3.8Å; L155-I157 HydrophobicContact CD1-CD1 3.87Å; L155-I157 HydrophobicContact CD1-CG1 4.46Å; L155-I157 PolarHBondContact O-N 2.96Å; I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 2.86Å |
| 158 | R | 67.6 | Low | 79.3 | Confident | 216 Ų | 216 | 143.9 Ų | 143.9 | 82% | 0.815 | 71% | 0.714 | S | S | * | * | | | trans | -45 | 115.6 | 159 | -70.9 | -175.1 | 176.1 | -169.1 | -0.6 | 102.7 | T156 Q160 | T156-R158 PolarHBondContact O-N 2.84Å; R158-Q160 PolarHBondContact O-N 3.12Å |
| 159 | K | 64 | Low | 79.9 | Confident | 189 Ų | 189 | 142.9 Ų | 142.9 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | | | trans | -63.6 | 70.5 | 175.5 | -81.3 | -175.7 | 171.5 | -174.5 | 0 | 107.3 | I157 V161 | I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 2.86Å; K159-V161 HydrophobicContact CB-CG2 4.27Å; K159-V161 HydrophobicContact CG-CG2 4.24Å; K159-V161 PolarHBondContact O-N 2.95Å |
| 160 | Q | 61.8 | Low | 80.3 | Confident | 154 Ų | 154 | 143.5 Ų | 143.5 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | | | trans | -77.8 | 60.1 | 141 | -63.7 | -165 | 64.4 | 0 | 0 | 104.9 | R158 K162 | R158-Q160 PolarHBondContact O-N 3.12Å; Q160-K162 PolarHBondContact O-N 3.06Å |
| 161 | V | 63.1 | Low | 80.8 | Confident | 97 Ų | 97 | 145.1 Ų | 145.1 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | | | trans | -66.7 | 84.4 | 144.4 | -179.7 | 0 | 0 | 0 | 0 | 101.1 | K159 D163 | K159-V161 HydrophobicContact CB-CG2 4.27Å; K159-V161 HydrophobicContact CG-CG2 4.24Å; K159-V161 PolarHBondContact O-N 2.95Å; V161-D163 VanDerWaalsContact C-N 3.27Å; V161-D163 PolarHBondContact O-N 2.77Å |
| 162 | K | 72 | Confident | 81.4 | Confident | 159 Ų | 159 | 140.7 Ų | 140.7 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | | | trans | -61.3 | 108.4 | 165 | -110 | -177.7 | 174.9 | -174.5 | 0 | 102.3 | Q160 F164 | Q160-K162 PolarHBondContact O-N 3.06Å; K162-F164 PolarHBondContact O-N 3.27Å |
| 163 | D | 79.9 | Confident | 82 | Confident | 132 Ų | 132 | 138.7 Ų | 138.7 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | | | trans | -55.6 | 118.6 | 172.1 | -64.8 | -34.6 | 0 | 0 | 0 | 106 | V161 T165 | V161-D163 VanDerWaalsContact C-N 3.27Å; V161-D163 PolarHBondContact O-N 2.77Å; D163-T165 PolarHBondContact O-N 3.18Å |
| 164 | F | 84.6 | Confident | 82.8 | Confident | 145 Ų | 145 | 134.4 Ų | 134.4 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | | | trans | -57.3 | 115 | -179.9 | -77 | -75.3 | 0 | 0 | 0 | 107.5 | K162 D168 | K162-F164 PolarHBondContact O-N 3.27Å; F164-D168 HydrophobicContact CD1-CB 4.13Å |
| 165 | T | 93.4 | Very high | 83.6 | Confident | 78 Ų | 78 | 127 Ų | 127 | 48% | 0.479 | 61% | 0.614 | S | S | . | * | | | trans | -78.8 | 154.8 | 178.6 | -58.9 | 0 | 0 | 0 | 0 | 108.2 | D163 K167 D168 I169 | D163-T165 PolarHBondContact O-N 3.18Å; T165-K167 HydrophobicContact CG2-CB 4.32Å; T165-K167 HydrophobicContact CG2-CG 4.32Å; T165-K167 PolarHBondContact O-N 3.07Å; T165-D168 PolarHBondContact N-OD2 3.12Å; T165-D168 WeakPolarHBondContact O-CB 3.46Å; T165-D168 PolarHBondContact O-N 3.08Å; T165-I169 PolarHBondContact O-N 3.04Å |
| 166 | M | 94.9 | Very high | 84.9 | Confident | 149 Ų | 149 | 123.2 Ų | 123.2 | 73% | 0.734 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -51.2 | -29.7 | 174.5 | -169.5 | 62.3 | 72.5 | 0 | 0 | 112.9 | I169 K170 | M166-I169 PolarHBondContact O-N 3.23Å; M166-K170 PolarHBondContact O-N 3.39Å |
| 167 | K | 95.8 | Very high | 86.3 | Confident | 160 Ų | 160 | 121 Ų | 121 | 70% | 0.696 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.2 | -45.9 | 173.6 | -65 | -177.3 | -179.8 | -178.9 | 0 | 112.4 | T165 I169 K170 E171 | T165-K167 HydrophobicContact CG2-CB 4.32Å; T165-K167 HydrophobicContact CG2-CG 4.32Å; T165-K167 PolarHBondContact O-N 3.07Å; K167-I169 VanDerWaalsContact C-N 3.25Å; K167-I169 PolarHBondContact O-N 2.91Å; K167-K170 PolarHBondContact O-N 3.34Å; K167-E171 WeakPolarHBondContact O-CB 3.49Å; K167-E171 PolarHBondContact O-N 3.39Å |
| 168 | D | 95.1 | Very high | 87.8 | Confident | 49 Ų | 49 | 120.4 Ų | 120.4 | 26% | 0.262 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.1 | -35.1 | 179.9 | -51.2 | -27.1 | 0 | 0 | 0 | 111 | F164 T165 K172 | F164-D168 HydrophobicContact CD1-CB 4.13Å; T165-D168 PolarHBondContact N-OD2 3.12Å; T165-D168 WeakPolarHBondContact O-CB 3.46Å; T165-D168 PolarHBondContact O-N 3.08Å; D168-K172 WeakPolarHBondContact O-CB 3.47Å; D168-K172 VanDerWaalsContact O-CG 3.3Å; D168-K172 WeakPolarHBondContact O-CG 3.33Å; D168-K172 PolarHBondContact O-N 3.36Å |
| 169 | I | 95.8 | Very high | 89.2 | Confident | 92 Ų | 92 | 117.8 Ų | 117.8 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.9 | -47.5 | 175.1 | -60 | 173.3 | 0 | 0 | 0 | 110.1 | T165 M166 K167 E171 K172 M173 | T165-I169 PolarHBondContact O-N 3.04Å; M166-I169 PolarHBondContact O-N 3.23Å; K167-I169 VanDerWaalsContact C-N 3.25Å; K167-I169 PolarHBondContact O-N 2.91Å; I169-E171 PolarHBondContact O-N 2.95Å; I169-K172 PolarHBondContact O-N 3.33Å; I169-M173 WeakPolarHBondContact O-CB 3.49Å; I169-M173 PolarHBondContact O-N 2.99Å |
| 170 | K | 96.9 | Very high | 90.7 | Very high | 134 Ų | 134 | 117.1 Ų | 117.1 | 58% | 0.583 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.9 | -43.7 | 179.1 | -170.5 | -179.6 | 179.1 | -174.4 | 0 | 111.7 | M166 K167 M173 E174 | M166-K170 PolarHBondContact O-N 3.39Å; K167-K170 PolarHBondContact O-N 3.34Å; K170-M173 HydrophobicContact CG-CE 4.3Å; K170-M173 WeakPolarHBondContact O-CB 3.35Å; K170-M173 PolarHBondContact O-N 2.75Å; K170-E174 WeakPolarHBondContact O-CB 3.32Å; K170-E174 PolarHBondContact O-N 2.82Å |
| 171 | E | 96.8 | Very high | 92.4 | Very high | 133 Ų | 133 | 114.8 Ų | 114.8 | 62% | 0.621 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 176.7 | -177 | -178.4 | -177.1 | 0 | 0 | 111.4 | K167 I169 M173 E174 A175 | K167-E171 WeakPolarHBondContact O-CB 3.49Å; K167-E171 PolarHBondContact O-N 3.39Å; I169-E171 PolarHBondContact O-N 2.95Å; E171-M173 VanDerWaalsContact C-N 3.32Å; E171-M173 PolarHBondContact O-N 3.18Å; E171-E174 PolarHBondContact O-N 3.29Å; E171-A175 VanDerWaalsContact O-CB 3.28Å; E171-A175 WeakPolarHBondContact O-CB 3.44Å; E171-A175 PolarHBondContact O-N 2.53Å |
| 172 | K | 96.8 | Very high | 94 | Very high | 128 Ų | 128 | 114.3 Ų | 114.3 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.8 | -37 | 176 | -77 | -178.2 | 177.1 | -174.8 | 0 | 112.7 | D168 I169 A176 | D168-K172 WeakPolarHBondContact O-CB 3.47Å; D168-K172 VanDerWaalsContact O-CG 3.3Å; D168-K172 WeakPolarHBondContact O-CG 3.33Å; D168-K172 PolarHBondContact O-N 3.36Å; I169-K172 PolarHBondContact O-N 3.33Å; K172-A176 WeakPolarHBondContact O-CB 3.28Å; K172-A176 PolarHBondContact O-N 2.87Å; K172-A176 VanDerWaalsContact O-N 3.11Å |
| 173 | M | 97.6 | Very high | 95.2 | Very high | 121 Ų | 121 | 113.2 Ų | 113.2 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.2 | -46.4 | 176.2 | -178.5 | 176.2 | 59.9 | 0 | 0 | 111.5 | I169 K170 E171 A176 E177 | I169-M173 WeakPolarHBondContact O-CB 3.49Å; I169-M173 PolarHBondContact O-N 2.99Å; K170-M173 HydrophobicContact CG-CE 4.3Å; K170-M173 WeakPolarHBondContact O-CB 3.35Å; K170-M173 PolarHBondContact O-N 2.75Å; E171-M173 VanDerWaalsContact C-N 3.32Å; E171-M173 PolarHBondContact O-N 3.18Å; M173-A176 WeakPolarHBondContact O-CB 3.42Å; M173-A176 PolarHBondContact O-N 3.25Å; M173-E177 PolarHBondContact O-N 3.13Å |
| 174 | E | 97.4 | Very high | 96 | Very high | 105 Ų | 105 | 111 Ų | 111 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 177.5 | -175.7 | 167.3 | -162.5 | 0 | 0 | 111.3 | K170 E171 A176 E177 E178 | K170-E174 WeakPolarHBondContact O-CB 3.32Å; K170-E174 PolarHBondContact O-N 2.82Å; E171-E174 PolarHBondContact O-N 3.29Å; E174-A176 PolarHBondContact O-N 2.77Å; E174-E177 CarbonylContact O-C 3.59Å; E174-E177 WeakPolarHBondContact O-CA 3.45Å; E174-E177 WeakPolarHBondContact O-CB 3.38Å; E174-E177 PolarHBondContact O-N 3.37Å; E174-E178 WeakPolarHBondContact O-CG 3.39Å; E174-E178 PolarHBondContact O-N 3.09Å |
| 175 | A | 97.9 | Very high | 96.5 | Very high | 30 Ų | 30 | 109.1 Ų | 109.1 | 25% | 0.248 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -62.4 | -29.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | E171 R179 | E171-A175 VanDerWaalsContact O-CB 3.28Å; E171-A175 WeakPolarHBondContact O-CB 3.44Å; E171-A175 PolarHBondContact O-N 2.53Å; A175-R179 VanDerWaalsContact O-CG 3.3Å; A175-R179 WeakPolarHBondContact O-CG 3.46Å; A175-R179 PolarHBondContact O-N 2.69Å; A175-R179 PolarHBondContact O-NH1 2.95Å |
| 176 | A | 97.9 | Very high | 96.6 | Very high | 55 Ų | 55 | 111.7 Ų | 111.7 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.6 | -40 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K172 M173 E174 R179 R180 | K172-A176 WeakPolarHBondContact O-CB 3.28Å; K172-A176 PolarHBondContact O-N 2.87Å; K172-A176 VanDerWaalsContact O-N 3.11Å; M173-A176 WeakPolarHBondContact O-CB 3.42Å; M173-A176 PolarHBondContact O-N 3.25Å; E174-A176 PolarHBondContact O-N 2.77Å; A176-R179 PolarHBondContact O-N 2.94Å; A176-R180 PolarHBondContact O-N 2.76Å; A176-R180 VanDerWaalsContact O-N 3.07Å |
| 177 | E | 96.8 | Very high | 96.6 | Very high | 92 Ų | 92 | 109.6 Ų | 109.6 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 176.8 | -167.7 | -175.7 | 154.3 | 0 | 0 | 112.1 | M173 E174 R180 K181 | M173-E177 PolarHBondContact O-N 3.13Å; E174-E177 CarbonylContact O-C 3.59Å; E174-E177 WeakPolarHBondContact O-CA 3.45Å; E174-E177 WeakPolarHBondContact O-CB 3.38Å; E174-E177 PolarHBondContact O-N 3.37Å; E177-R180 WeakPolarHBondContact O-CB 3.11Å; E177-R180 PolarHBondContact O-N 3.46Å; E177-R180 VanDerWaalsContact O-N 3.11Å; E177-K181 WeakPolarHBondContact O-CG 3.33Å; E177-K181 PolarHBondContact O-N 3.12Å; E177-K181 WeakPolarHBondContact OE1-CE 3.46Å; E177-K181 IonicContact OE1-NZ 2.7Å; E177-K181 PolarHBondContact OE1-NZ 2.97Å |
| 178 | E | 96.8 | Very high | 96.6 | Very high | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 175 | -72.9 | -174 | 160.7 | 0 | 0 | 111.4 | E174 R180 K181 T182 | E174-E178 WeakPolarHBondContact O-CG 3.39Å; E174-E178 PolarHBondContact O-N 3.09Å; E178-R180 PolarHBondContact O-N 3.08Å; E178-K181 PolarHBondContact O-N 3.31Å; E178-K181 VanDerWaalsContact O-N 3.1Å; E178-T182 WeakPolarHBondContact O-CG2 3.23Å; E178-T182 PolarHBondContact O-N 3.33Å; E178-T182 PolarHBondContact O-OG1 2.87Å |
| 179 | R | 97 | Very high | 96.6 | Very high | 160 Ų | 160 | 111.9 Ų | 111.9 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.9 | -33.5 | 174.8 | -73.8 | -177.5 | -167.1 | 99.3 | -7.4 | 112.6 | A175 A176 T182 K183 | A175-R179 VanDerWaalsContact O-CG 3.3Å; A175-R179 WeakPolarHBondContact O-CG 3.46Å; A175-R179 PolarHBondContact O-N 2.69Å; A175-R179 PolarHBondContact O-NH1 2.95Å; A176-R179 PolarHBondContact O-N 2.94Å; R179-T182 PolarHBondContact O-OG1 3.18Å; R179-K183 WeakPolarHBondContact O-CG 3.5Å; R179-K183 PolarHBondContact O-N 2.6Å |
| 180 | R | 97.4 | Very high | 96.5 | Very high | 176 Ų | 176 | 115.8 Ų | 115.8 | 66% | 0.664 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.5 | -46.5 | 175.1 | -164.1 | -177.2 | 99.4 | -177.9 | 6.1 | 110.8 | A176 E177 E178 K183 E184 | A176-R180 PolarHBondContact O-N 2.76Å; A176-R180 VanDerWaalsContact O-N 3.07Å; E177-R180 WeakPolarHBondContact O-CB 3.11Å; E177-R180 PolarHBondContact O-N 3.46Å; E177-R180 VanDerWaalsContact O-N 3.11Å; E178-R180 PolarHBondContact O-N 3.08Å; R180-K183 PolarHBondContact O-N 3.32Å; R180-E184 WeakPolarHBondContact O-CB 2.89Å; R180-E184 PolarHBondContact O-N 3.44Å |
| 181 | K | 97.2 | Very high | 96.3 | Very high | 105 Ų | 105 | 114.6 Ų | 114.6 | 46% | 0.457 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 178.4 | -73.7 | 175 | -177.1 | 163 | 0 | 111.8 | E177 E178 K183 E184 E185 | E177-K181 WeakPolarHBondContact O-CG 3.33Å; E177-K181 PolarHBondContact O-N 3.12Å; E177-K181 WeakPolarHBondContact OE1-CE 3.46Å; E177-K181 IonicContact OE1-NZ 2.7Å; E177-K181 PolarHBondContact OE1-NZ 2.97Å; E178-K181 PolarHBondContact O-N 3.31Å; E178-K181 VanDerWaalsContact O-N 3.1Å; K181-K183 PolarHBondContact O-N 2.86Å; K181-E184 PolarHBondContact O-N 3.35Å; K181-E185 WeakPolarHBondContact O-CB 3.28Å; K181-E185 WeakPolarHBondContact O-CG 3.29Å; K181-E185 PolarHBondContact O-N 3.22Å |
| 182 | T | 96.6 | Very high | 96 | Very high | 86 Ų | 86 | 116.3 Ų | 116.3 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 179.7 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | E178 R179 E185 E186 | E178-T182 WeakPolarHBondContact O-CG2 3.23Å; E178-T182 PolarHBondContact O-N 3.33Å; E178-T182 PolarHBondContact O-OG1 2.87Å; R179-T182 PolarHBondContact O-OG1 3.18Å; T182-E185 PolarHBondContact O-N 3.44Å; T182-E186 WeakPolarHBondContact O-CB 3.34Å; T182-E186 PolarHBondContact O-N 3Å |
| 183 | K | 96.7 | Very high | 95.5 | Very high | 136 Ų | 136 | 113.3 Ų | 113.3 | 59% | 0.591 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -41.1 | 175.2 | -72.4 | -179.4 | 178.9 | -171.1 | 0 | 111.9 | R179 R180 K181 E186 I187 | R179-K183 WeakPolarHBondContact O-CG 3.5Å; R179-K183 PolarHBondContact O-N 2.6Å; R180-K183 PolarHBondContact O-N 3.32Å; K181-K183 PolarHBondContact O-N 2.86Å; K183-E186 PolarHBondContact O-N 3.22Å; K183-I187 VanDerWaalsContact O-CG1 3.28Å; K183-I187 WeakPolarHBondContact O-CG1 3.21Å; K183-I187 PolarHBondContact O-N 2.99Å |
| 184 | E | 96.2 | Very high | 94.4 | Very high | 86 Ų | 86 | 111.9 Ų | 111.9 | 40% | 0.402 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.8 | -168.5 | -169 | 145.2 | 0 | 0 | 111.8 | R180 K181 I187 R188 | R180-E184 WeakPolarHBondContact O-CB 2.89Å; R180-E184 PolarHBondContact O-N 3.44Å; K181-E184 PolarHBondContact O-N 3.35Å; E184-I187 PolarHBondContact O-N 3.45Å; E184-R188 VanDerWaalsContact O-CB 3.28Å; E184-R188 WeakPolarHBondContact O-CB 3.48Å; E184-R188 PolarHBondContact O-N 2.97Å; E184-R188 IonicContact OE1-CZ 3.92Å; E184-R188 IonicContact OE1-NH2 2.8Å; E184-R188 PolarHBondContact OE1-NH2 3.22Å |
| 185 | E | 95.1 | Very high | 93 | Very high | 105 Ų | 105 | 117.3 Ų | 117.3 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 176.6 | -76 | -171.9 | 178.8 | 0 | 0 | 112.6 | K181 T182 R188 K189 | K181-E185 WeakPolarHBondContact O-CB 3.28Å; K181-E185 WeakPolarHBondContact O-CG 3.29Å; K181-E185 PolarHBondContact O-N 3.22Å; T182-E185 PolarHBondContact O-N 3.44Å; E185-R188 PolarHBondContact O-N 2.98Å; E185-K189 WeakPolarHBondContact O-CB 3.27Å; E185-K189 WeakPolarHBondContact O-CG 3.28Å; E185-K189 PolarHBondContact O-N 3.34Å |
| 186 | E | 95.7 | Very high | 91.2 | Very high | 133 Ų | 133 | 122.6 Ų | 122.6 | 62% | 0.621 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61 | -49.9 | 173.3 | -177.9 | -178.2 | -175.6 | 0 | 0 | 111.1 | T182 K183 R188 K189 R190 | T182-E186 WeakPolarHBondContact O-CB 3.34Å; T182-E186 PolarHBondContact O-N 3Å; K183-E186 PolarHBondContact O-N 3.22Å; E186-R188 VanDerWaalsContact C-N 3.31Å; E186-R188 PolarHBondContact O-N 3.48Å; E186-K189 PolarHBondContact O-N 3.34Å; E186-R190 WeakPolarHBondContact O-CB 3.49Å; E186-R190 PolarHBondContact O-N 3.06Å |
| 187 | I | 96 | Very high | 89.2 | Confident | 104 Ų | 104 | 126.7 Ų | 126.7 | 53% | 0.533 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.9 | -44 | 175.5 | -67 | 166.2 | 0 | 0 | 0 | 110.2 | K183 E184 K189 R190 L191 | K183-I187 VanDerWaalsContact O-CG1 3.28Å; K183-I187 WeakPolarHBondContact O-CG1 3.21Å; K183-I187 PolarHBondContact O-N 2.99Å; E184-I187 PolarHBondContact O-N 3.45Å; I187-K189 PolarHBondContact O-N 2.93Å; I187-R190 PolarHBondContact O-N 3.11Å; I187-L191 HydrophobicContact CG2-CD1 3.95Å; I187-L191 HydrophobicContact CG2-CG 4.31Å; I187-L191 WeakPolarHBondContact O-CB 3.49Å; I187-L191 VanDerWaalsContact O-CG 3.29Å; I187-L191 WeakPolarHBondContact O-CG 3.27Å; I187-L191 PolarHBondContact O-N 3.22Å |
| 188 | R | 95.2 | Very high | 87 | Confident | 111 Ų | 111 | 127.8 Ų | 127.8 | 42% | 0.419 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.5 | -40.8 | 177.9 | -171.8 | -174.1 | -61.8 | 177.2 | 0.2 | 112 | E184 E185 E186 R192 | E184-R188 VanDerWaalsContact O-CB 3.28Å; E184-R188 WeakPolarHBondContact O-CB 3.48Å; E184-R188 PolarHBondContact O-N 2.97Å; E184-R188 IonicContact OE1-CZ 3.92Å; E184-R188 IonicContact OE1-NH2 2.8Å; E184-R188 PolarHBondContact OE1-NH2 3.22Å; E185-R188 PolarHBondContact O-N 2.98Å; E186-R188 VanDerWaalsContact C-N 3.31Å; E186-R188 PolarHBondContact O-N 3.48Å; R188-R192 WeakPolarHBondContact O-CB 3.28Å; R188-R192 WeakPolarHBondContact O-CG 3.28Å; R188-R192 PolarHBondContact O-N 2.89Å |
| 189 | K | 95.1 | Very high | 84.9 | Confident | 147 Ų | 147 | 127.2 Ų | 127.2 | 64% | 0.639 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.6 | -46.1 | 176 | -80.5 | -179.5 | -179 | 176.8 | 0 | 110.9 | E185 E186 I187 R192 S193 | E185-K189 WeakPolarHBondContact O-CB 3.27Å; E185-K189 WeakPolarHBondContact O-CG 3.28Å; E185-K189 PolarHBondContact O-N 3.34Å; E186-K189 PolarHBondContact O-N 3.34Å; I187-K189 PolarHBondContact O-N 2.93Å; K189-R192 PolarHBondContact O-N 2.87Å; K189-S193 PolarHBondContact O-N 3.19Å; K189-S193 PolarHBondContact O-OG 3.37Å |
| 190 | R | 94.1 | Very high | 82.6 | Confident | 174 Ų | 174 | 123.5 Ų | 123.5 | 66% | 0.657 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.1 | -48.2 | 175.4 | 178.9 | 178.4 | 147.5 | -173.5 | -7.2 | 111.6 | E186 I187 R192 S193 D194 | E186-R190 WeakPolarHBondContact O-CB 3.49Å; E186-R190 PolarHBondContact O-N 3.06Å; I187-R190 PolarHBondContact O-N 3.11Å; R190-R192 VanDerWaalsContact C-N 3.29Å; R190-R192 PolarHBondContact O-N 3.27Å; R190-S193 WeakPolarHBondContact CA-OG 3.37Å; R190-S193 PolarHBondContact O-N 3.5Å; R190-S193 PolarHBondContact O-OG 2.63Å; R190-D194 IonicContact NE-OD2 3.76Å; R190-D194 WeakPolarHBondContact O-CB 3.42Å; R190-D194 PolarHBondContact O-N 3.11Å |
| 191 | L | 92.4 | Very high | 80.2 | Confident | 109 Ų | 109 | 121.3 Ų | 121.3 | 57% | 0.571 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.8 | -36.7 | 176.9 | -70.8 | 174.9 | 0 | 0 | 0 | 112.6 | I187 R195 | I187-L191 HydrophobicContact CG2-CD1 3.95Å; I187-L191 HydrophobicContact CG2-CG 4.31Å; I187-L191 WeakPolarHBondContact O-CB 3.49Å; I187-L191 VanDerWaalsContact O-CG 3.29Å; I187-L191 WeakPolarHBondContact O-CG 3.27Å; I187-L191 PolarHBondContact O-N 3.22Å; L191-R195 WeakPolarHBondContact O-CB 3.47Å; L191-R195 PolarHBondContact O-N 3.27Å; L191-R195 VanDerWaalsContact O-N 3.12Å |
| 192 | R | 90.8 | Very high | 77.8 | Confident | 168 Ų | 168 | 125.3 Ų | 125.3 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.1 | -44.7 | 173.9 | -76.9 | 178.7 | 179.7 | 179.6 | -0.5 | 111.4 | R188 K189 R190 D194 R195 L196 | R188-R192 WeakPolarHBondContact O-CB 3.28Å; R188-R192 WeakPolarHBondContact O-CG 3.28Å; R188-R192 PolarHBondContact O-N 2.89Å; K189-R192 PolarHBondContact O-N 2.87Å; R190-R192 VanDerWaalsContact C-N 3.29Å; R190-R192 PolarHBondContact O-N 3.27Å; R192-D194 VanDerWaalsContact C-N 3.35Å; R192-R195 PolarHBondContact O-N 3.05Å; R192-L196 WeakPolarHBondContact O-CG 3.41Å; R192-L196 PolarHBondContact O-N 3.27Å |
| 193 | S | 84.9 | Confident | 75.3 | Confident | 65 Ų | 65 | 126.5 Ų | 126.5 | 46% | 0.455 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.3 | -37.8 | 177.4 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | K189 R190 R195 L196 | K189-S193 PolarHBondContact O-N 3.19Å; K189-S193 PolarHBondContact O-OG 3.37Å; R190-S193 WeakPolarHBondContact CA-OG 3.37Å; R190-S193 PolarHBondContact O-N 3.5Å; R190-S193 PolarHBondContact O-OG 2.63Å; S193-R195 PolarHBondContact O-N 3.38Å; S193-L196 WeakPolarHBondContact O-CB 3.26Å; S193-L196 PolarHBondContact O-N 3.24Å; S193-L196 VanDerWaalsContact O-N 3.13Å |
| 194 | D | 75.3 | Confident | 72.5 | Confident | 92 Ų | 92 | 127.1 Ų | 127.1 | 49% | 0.492 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.6 | -28.4 | 177.1 | -63.9 | -8.3 | 0 | 0 | 0 | 111.2 | R190 R192 L196 | R190-D194 IonicContact NE-OD2 3.76Å; R190-D194 WeakPolarHBondContact O-CB 3.42Å; R190-D194 PolarHBondContact O-N 3.11Å; R192-D194 VanDerWaalsContact C-N 3.35Å; D194-L196 VanDerWaalsContact C-N 3.34Å |
| 195 | R | 68.5 | Low | 70.1 | Confident | 219 Ų | 219 | 128.1 Ų | 128.1 | 83% | 0.826 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -4.5 | 175.2 | -155.6 | 176.3 | -171.9 | -165.4 | 2.4 | 113.9 | L191 R192 S193 L197 | L191-R195 WeakPolarHBondContact O-CB 3.47Å; L191-R195 PolarHBondContact O-N 3.27Å; L191-R195 VanDerWaalsContact O-N 3.12Å; R192-R195 PolarHBondContact O-N 3.05Å; S193-R195 PolarHBondContact O-N 3.38Å; R195-L197 VanDerWaalsContact C-N 3.26Å; R195-L197 PolarHBondContact O-N 3.08Å |
| 196 | L | 59.8 | Low | 67.4 | Low | 140 Ų | 140 | 127.8 Ų | 127.8 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 21.2 | 176 | -69.7 | 174.8 | 0 | 0 | 0 | 113.5 | R192 S193 D194 | R192-L196 WeakPolarHBondContact O-CG 3.41Å; R192-L196 PolarHBondContact O-N 3.27Å; S193-L196 WeakPolarHBondContact O-CB 3.26Å; S193-L196 PolarHBondContact O-N 3.24Å; S193-L196 VanDerWaalsContact O-N 3.13Å; D194-L196 VanDerWaalsContact C-N 3.34Å |
| 197 | L | 55.5 | Low | 64.9 | Low | 142 Ų | 142 | 130.3 Ų | 130.3 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -57.9 | 127.2 | 154.4 | -69.7 | 176.4 | 0 | 0 | 0 | 107.2 | R195 S199 | R195-L197 VanDerWaalsContact C-N 3.26Å; R195-L197 PolarHBondContact O-N 3.08Å; L197-S199 PolarHBondContact O-N 3.01Å |
| 198 | P | 51.7 | Low | 62.1 | Low | 114 Ų | 114 | 134 Ų | 134 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | | | trans | -59.3 | 115.1 | -179.3 | -11.5 | 22.8 | 0 | 0 | 0 | 107.5 | A200 | P198-A200 PolarHBondContact O-N 3.35Š|
| 199 | S | 52.8 | Low | 59.1 | Low | 99 Ų | 99 | 132.5 Ų | 132.5 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | | | trans | -67.1 | 79.6 | 159 | 174.3 | 0 | 0 | 0 | 0 | 106.4 | L197 N201 | L197-S199 PolarHBondContact O-N 3.01Å; S199-N201 PolarHBondContact O-N 3.37Å |
| 200 | A | 48.2 | Very low | 56.2 | Low | 82 Ų | 82 | 129.3 Ų | 129.3 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | trans | -69.3 | 78.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | P198 | P198-A200 PolarHBondContact O-N 3.35Š|
| 201 | N | 46.5 | Very low | 53.3 | Low | 131 Ų | 131 | 125.8 Ų | 125.8 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | | | trans | -151.1 | 67.5 | 164.7 | -73.4 | -59 | 0 | 0 | 0 | 109 | S199 | S199-N201 PolarHBondContact O-N 3.37Š|
| 202 | H | 46.9 | Very low | 50.6 | Low | 188 Ų | 188 | 129.2 Ų | 129.2 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | | | trans | -117.6 | 73.2 | 154.5 | -63.6 | -54.3 | 0 | 0 | 0 | 107.3 | | |
| 203 | S | 44.1 | Very low | 48.2 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | trans | -98.3 | 138.8 | 151.6 | -46.3 | 0 | 0 | 0 | 0 | 104.6 | | |
| 204 | D | 37.1 | Very low | 46.1 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | cis | -163.9 | 154.6 | 13 | -165.2 | -2.6 | 0 | 0 | 0 | 106.7 | | |
| 205 | S | 47.1 | Very low | 44 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -78.9 | 130.3 | 168.7 | 69.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 206 | A | 38.5 | Very low | 42.7 | Very low | 98 Ų | 98 | 125 Ų | 125 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -144.9 | 112.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 207 | E | 42.6 | Very low | 41.8 | Very low | 185 Ų | 185 | 128.4 Ų | 128.4 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -62.7 | 174.3 | 157.2 | -82 | -169.7 | 139.9 | 0 | 0 | 111.2 | | |
| 208 | L | 37.8 | Very low | 40.7 | Very low | 183 Ų | 183 | 124.8 Ų | 124.8 | 96% | 0.958 | 78% | 0.776 | S | S | * | * | | | trans | 100.4 | 116.7 | -178.1 | -55.9 | 169.2 | 0 | 0 | 0 | 110.7 | | |
| 209 | G | 32.1 | Very low | 40.1 | Very low | 78 Ų | 78 | 127.5 Ų | 127.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | cis | 131.9 | 111.2 | 21 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 210 | G | 33.7 | Very low | 39.3 | Very low | 81 Ų | 81 | 130.8 Ų | 130.8 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | 79.6 | 146.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 211 | A | 34.1 | Very low | 38.7 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | 76.8 | 101.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 212 | E | 35.7 | Very low | 38.1 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | | 80.9 | 120.9 | 82.2 | -105.1 | -151 | 165.7 | 0 | 0 | 115.1 | | |
| 213 | V | 40.1 | Very low | 37.4 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | | | trans | 72.5 | 140.7 | 145.2 | -176.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 214 | A | 39.8 | Very low | 37 | Very low | 65 Ų | 65 | 139.4 Ų | 139.4 | 54% | 0.537 | 80% | 0.798 | S | S | . | * | | | cis | -175.3 | 176.8 | -23.5 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 215 | F | 31 | Very low | 37 | Very low | 198 Ų | 198 | 136.7 Ų | 136.7 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | | | trans | 78.6 | 135.4 | 162.1 | -61.3 | -79.7 | 0 | 0 | 0 | 116.6 | | |
| 216 | A | 41.9 | Very low | 36.3 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 63% | 0.628 | 79% | 0.794 | S | S | * | * | | | cis | -167.6 | 155.9 | -2.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 217 | K | 40.3 | Very low | 36.1 | Very low | 213 Ų | 213 | 140.1 Ų | 140.1 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | | | trans | 60.8 | 121.5 | 149.3 | -83.4 | 170 | 166.5 | 178.4 | 0 | 117.7 | | |
| 218 | G | 33.7 | Very low | 35.9 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | cis | 172.9 | 157.5 | 3.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 219 | L | 38.9 | Very low | 36 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | trans | 44.3 | 127.8 | 145.7 | -58.9 | 171.4 | 0 | 0 | 0 | 118.1 | | |
| 220 | Q | 36.1 | Very low | 36.5 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | cis | -158 | 138.3 | 31.4 | -73.4 | -167.4 | -8.5 | 0 | 0 | 108.7 | | |
| 221 | R | 34.9 | Very low | 36.6 | Very low | 225 Ų | 225 | 141.3 Ų | 141.3 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | | | | 40.9 | 114.8 | 101.8 | -163.1 | 176.5 | -69 | -172.7 | -0.2 | 112.4 | | |
| 222 | V | 33.5 | Very low | 37 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | | | | -157.4 | 130.1 | 83.2 | 163.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 223 | R | 32.5 | Very low | 37.2 | Very low | 232 Ų | 232 | 143.7 Ų | 143.7 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | | | trans | -7.3 | 160.8 | 146.2 | -82.2 | 178.9 | 147.5 | 158.5 | -5.8 | 118 | | |
| 224 | S | 36.8 | Very low | 36.9 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | cis | 169.6 | 146.2 | 0.3 | 162.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 225 | A | 35.6 | Very low | 36.7 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | 135.5 | 106.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 226 | G | 32.7 | Very low | 37.9 | Very low | 68 Ų | 68 | 146.8 Ų | 146.8 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | cis | 95.4 | 80.2 | 31.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 227 | F | 35.5 | Very low | 38.7 | Very low | 210 Ų | 210 | 148.3 Ų | 148.3 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -146.1 | 104.4 | 159.2 | -89.9 | -74.9 | 0 | 0 | 0 | 109.3 | | |
| 228 | E | 36.7 | Very low | 38.7 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 138.7 | 166.7 | -89.8 | -75.7 | 170.5 | 0 | 0 | 110.5 | | |
| 229 | P | 40.8 | Very low | 39.5 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 118.8 | 164.4 | 31.9 | -24.6 | 0 | 0 | 0 | 110.8 | | |
| 230 | S | 42.3 | Very low | 40 | Very low | 121 Ų | 121 | 154 Ų | 154 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 129.7 | 176.5 | -37.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 231 | D | 36.8 | Very low | 40.8 | Very low | 145 Ų | 145 | 156 Ų | 156 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 132.2 | 173.1 | -170.8 | 12.5 | 0 | 0 | 0 | 110.6 | | |
| 232 | L | 42.2 | Very low | 41.2 | Very low | 171 Ų | 171 | 154.6 Ų | 154.6 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | | | trans | -145.1 | 100.5 | 163.2 | -77.7 | -178 | 0 | 0 | 0 | 110 | | |
| 233 | Q | 38.8 | Very low | 41.7 | Very low | 159 Ų | 159 | 154 Ų | 154 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | | | trans | -21.5 | 154.1 | 138.8 | -106 | -168.9 | 15.8 | 0 | 0 | 114.8 | | |
| 234 | E | 33.8 | Very low | 42.4 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | | | cis | -175.2 | 153 | 19.6 | -173.3 | 176 | -165.6 | 0 | 0 | 107 | | |
| 235 | G | 36.3 | Very low | 42.9 | Very low | 77 Ų | 77 | 153.3 Ų | 153.3 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | trans | 168.1 | 112.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 236 | K | 55.4 | Low | 43.1 | Very low | 200 Ų | 200 | 156.5 Ų | 156.5 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | | | trans | -76.8 | 170.5 | -169.9 | -88.2 | -177.6 | -174.3 | 178.9 | 0 | 116.4 | | |
| 237 | P | 60 | Low | 43.8 | Very low | 109 Ų | 109 | 157.6 Ų | 157.6 | 71% | 0.708 | 82% | 0.822 | S | S | * | * | | | trans | -101.5 | 161.3 | -155 | 39.2 | -33 | 0 | 0 | 0 | 114.1 | | |
| 238 | L | 39.2 | Very low | 44.1 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | | | trans | -158.3 | 132.1 | 165 | -127.7 | 84.8 | 0 | 0 | 0 | 115.2 | | |
| 239 | K | 50.9 | Low | 44.3 | Very low | 183 Ų | 183 | 152.9 Ų | 152.9 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | | | trans | 88.2 | 99 | 151.1 | -53 | -67.9 | 174.8 | 172 | 0 | 120.1 | | |
| 240 | R | 50.4 | Low | 44.5 | Very low | 229 Ų | 229 | 155.5 Ų | 155.5 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | | | trans | -49.2 | 136.7 | 149.1 | -78.8 | 161.2 | 55 | 114.4 | -8.5 | 112.2 | | |
| 241 | K | 51.5 | Low | 44.6 | Very low | 209 Ų | 209 | 156.9 Ų | 156.9 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | -138.5 | 140.9 | 141.6 | -82 | -158.5 | 174.1 | -178.9 | 0 | 110.9 | | |
| 242 | K | 43.6 | Very low | 45.3 | Very low | 197 Ų | 197 | 160.4 Ų | 160.4 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 131.4 | -174.3 | -72.5 | 164.9 | 168.6 | 176.8 | 0 | 111.6 | | |
| 243 | S | 44 | Very low | 45.8 | Very low | 117 Ų | 117 | 159.8 Ų | 159.8 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 128.5 | 155.6 | 50.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 244 | K | 46.7 | Very low | 46.3 | Very low | 204 Ų | 204 | 160.9 Ų | 160.9 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 122.5 | 164.5 | -70.7 | 178.9 | 174.8 | -179 | 0 | 106.7 | | |
| 245 | S | 46.9 | Very low | 47.3 | Very low | 121 Ų | 121 | 158.4 Ų | 158.4 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 122.6 | 165.3 | 49.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 246 | D | 40.8 | Very low | 47.9 | Very low | 159 Ų | 159 | 162 Ų | 162 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | | | trans | -107.2 | 123.6 | 163.6 | -144.9 | -10 | 0 | 0 | 0 | 107.8 | | |
| 247 | A | 47.4 | Very low | 48.2 | Very low | 90 Ų | 90 | 160.2 Ų | 160.2 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | | | trans | -95.7 | 123.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 248 | T | 41.1 | Very low | 48.2 | Very low | 120 Ų | 120 | 160.2 Ų | 160.2 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | | | trans | -147.8 | 99.8 | 160.6 | -43 | 0 | 0 | 0 | 0 | 110.3 | | |
| 249 | L | 42 | Very low | 49 | Very low | 164 Ų | 164 | 161.9 Ų | 161.9 | 86% | 0.859 | 83% | 0.825 | S | S | * | * | | | trans | 44 | 103.2 | 137.1 | -56.9 | 166.4 | 0 | 0 | 0 | 117.8 | D251 | L249-D251 PolarHBondContact O-N 3.11Š|
| 250 | I | 45.5 | Very low | 49.6 | Very low | 168 Ų | 168 | 156.1 Ų | 156.1 | 86% | 0.862 | 82% | 0.817 | S | S | * | * | | | trans | -72.3 | 112.9 | 160.4 | -58.3 | 167.5 | 0 | 0 | 0 | 107 | | |
| 251 | D | 43.2 | Very low | 50.4 | Low | 150 Ų | 150 | 151.4 Ų | 151.4 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | | | trans | -77.9 | 119.8 | 166.3 | -171.9 | 24.1 | 0 | 0 | 0 | 108.5 | L249 | L249-D251 PolarHBondContact O-N 3.11Š|
| 252 | R | 52.1 | Low | 51.3 | Low | 219 Ų | 219 | 147.5 Ų | 147.5 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | -68 | 130.1 | -178.7 | -90 | 172.3 | 157.1 | 172.1 | -6.9 | 109.6 | | |
| 253 | N | 51.6 | Low | 52.6 | Low | 158 Ų | 158 | 146.5 Ų | 146.5 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | | | trans | -162.1 | 71.9 | 143 | -85.9 | -39.3 | 0 | 0 | 0 | 109 | | |
| 254 | E | 50.1 | Low | 53.7 | Low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -97 | 103.2 | 162.4 | -73.1 | 172.4 | 170.8 | 0 | 0 | 106.5 | D256 | E254-D256 PolarHBondContact O-N 2.86Š|
| 255 | S | 54.8 | Low | 55.2 | Low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -75.4 | 96.1 | 165.2 | 52.2 | 0 | 0 | 0 | 0 | 107.6 | E257 | S255-E257 PolarHBondContact O-N 2.69Š|
| 256 | D | 49.7 | Very low | 56.4 | Low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | | | trans | -61.2 | 101.9 | 168.9 | -86.1 | -33.5 | 0 | 0 | 0 | 109.4 | E254 S258 | E254-D256 PolarHBondContact O-N 2.86Å; D256-S258 VanDerWaalsContact C-N 3.28Å; D256-S258 PolarHBondContact O-N 2.75Å |
| 257 | E | 61.4 | Low | 57.9 | Low | 163 Ų | 163 | 139.7 Ų | 139.7 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -77 | 88.8 | 165.6 | -129 | 155 | -166.5 | 0 | 0 | 107.1 | S255 F259 | S255-E257 PolarHBondContact O-N 2.69Å; E257-F259 PolarHBondContact O-N 3.38Å |
| 258 | S | 58.6 | Low | 58.7 | Low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -51.9 | 99.1 | 171 | 164.8 | 0 | 0 | 0 | 0 | 109.9 | D256 G260 | D256-S258 VanDerWaalsContact C-N 3.28Å; D256-S258 PolarHBondContact O-N 2.75Å; S258-G260 PolarHBondContact O-N 3.42Å; S258-G260 VanDerWaalsContact O-N 3.08Å |
| 259 | F | 57.6 | Low | 59.6 | Low | 191 Ų | 191 | 145.8 Ų | 145.8 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -62.3 | 111.4 | 170 | -38.9 | -79 | 0 | 0 | 0 | 108.2 | E257 V261 | E257-F259 PolarHBondContact O-N 3.38Å; F259-V261 PolarHBondContact O-N 3.4Å |
| 260 | G | 61.8 | Low | 61 | Low | 61 Ų | 61 | 144.1 Ų | 144.1 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | trans | -59.8 | 128.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S258 V262 | S258-G260 PolarHBondContact O-N 3.42Å; S258-G260 VanDerWaalsContact O-N 3.08Å; G260-V262 PolarHBondContact O-N 3.36Å; G260-V262 VanDerWaalsContact O-N 3.12Å |
| 261 | V | 67.4 | Low | 62 | Low | 131 Ų | 131 | 144.8 Ų | 144.8 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | -61.8 | 111.8 | 167.8 | 173.4 | 0 | 0 | 0 | 0 | 107 | F259 E263 | F259-V261 PolarHBondContact O-N 3.4Å; V261-E263 HydrophobicContact CG1-CG 4.28Å; V261-E263 PolarHBondContact O-N 2.88Å |
| 262 | V | 70.4 | Confident | 62.9 | Low | 126 Ų | 126 | 144.5 Ų | 144.5 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | -83.9 | 103.2 | 171.2 | 177.4 | 0 | 0 | 0 | 0 | 106.4 | G260 S264 | G260-V262 PolarHBondContact O-N 3.36Å; G260-V262 VanDerWaalsContact O-N 3.12Å; V262-S264 PolarHBondContact O-N 3.34Å |
| 263 | E | 71.9 | Confident | 63.3 | Low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -72.5 | 112.3 | 168.5 | -69.7 | -178.5 | 167.4 | 0 | 0 | 108 | V261 D265 | V261-E263 HydrophobicContact CG1-CG 4.28Å; V261-E263 PolarHBondContact O-N 2.88Å; E263-D265 PolarHBondContact O-N 3.31Å |
| 264 | S | 67.8 | Low | 63.8 | Low | 101 Ų | 101 | 139.6 Ų | 139.6 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | trans | -73.7 | 103.9 | 170.9 | -64 | 0 | 0 | 0 | 0 | 108.6 | V262 M266 | V262-S264 PolarHBondContact O-N 3.34Å; S264-M266 PolarHBondContact O-N 3.47Å |
| 265 | D | 77.5 | Confident | 64.3 | Low | 122 Ų | 122 | 137.4 Ų | 137.4 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | | | trans | -66.6 | 115.4 | 170.6 | -174.5 | 1.3 | 0 | 0 | 0 | 109.6 | E263 S267 | E263-D265 PolarHBondContact O-N 3.31Å; D265-S267 VanDerWaalsContact CG-OG 3.32Å; D265-S267 VanDerWaalsContact OD1-CB 3.28Å; D265-S267 WeakPolarHBondContact OD1-CB 3.46Å; D265-S267 PolarHBondContact OD1-N 2.79Å; D265-S267 PolarHBondContact OD1-OG 3.35Å; D265-S267 PolarHBondContact OD2-OG 2.94Å |
| 266 | M | 72.9 | Confident | 64.1 | Low | 164 Ų | 164 | 145.6 Ų | 145.6 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | -97 | 8.8 | -180 | -69.6 | -59.8 | -42.6 | 0 | 0 | 112.7 | S264 | S264-M266 PolarHBondContact O-N 3.47Š|
| 267 | S | 71.7 | Confident | 64.8 | Low | 71 Ų | 71 | 145.4 Ų | 145.4 | 50% | 0.497 | 76% | 0.759 | S | S | . | * | | | trans | -88.4 | 3 | -172.1 | 67.9 | 0 | 0 | 0 | 0 | 115.6 | D265 | D265-S267 VanDerWaalsContact CG-OG 3.32Å; D265-S267 VanDerWaalsContact OD1-CB 3.28Å; D265-S267 WeakPolarHBondContact OD1-CB 3.46Å; D265-S267 PolarHBondContact OD1-N 2.79Å; D265-S267 PolarHBondContact OD1-OG 3.35Å; D265-S267 PolarHBondContact OD2-OG 2.94Å |
| 268 | Y | 63.6 | Low | 65 | Low | 202 Ų | 202 | 144.4 Ų | 144.4 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 122.7 | -178.6 | -144.6 | -91.5 | 0 | 0 | 0 | 112.2 | | |
| 269 | N | 60.8 | Low | 65.4 | Low | 136 Ų | 136 | 146.3 Ų | 146.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.7 | 56.9 | -176.2 | -44.9 | -52.5 | 0 | 0 | 0 | 115.6 | | |
| 270 | Q | 70.8 | Confident | 65.8 | Low | 129 Ų | 129 | 143.7 Ų | 143.7 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | | | trans | -75.7 | 139.1 | 160 | -72.6 | -175.2 | -7.5 | 0 | 0 | 109.5 | D272 D273 | Q270-D272 PolarHBondContact O-N 3.42Å; Q270-D273 PolarHBondContact O-N 2.82Å |
| 271 | E | 66.1 | Low | 66.1 | Low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -7.8 | -175.1 | -65.5 | 158.9 | -173 | 0 | 0 | 113.1 | | |
| 272 | D | 63.1 | Low | 66 | Low | 144 Ų | 144 | 150.1 Ų | 150.1 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -3.4 | -179.7 | -63.1 | -35 | 0 | 0 | 0 | 114.3 | Q270 I274 | Q270-D272 PolarHBondContact O-N 3.42Å; D272-I274 PolarHBondContact O-N 2.85Å; D272-I274 VanDerWaalsContact O-N 3.11Å |
| 273 | D | 60.9 | Low | 65.7 | Low | 140 Ų | 140 | 151.8 Ų | 151.8 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | -79.5 | 20.3 | 177.4 | -96.9 | -8.5 | 0 | 0 | 0 | 113.9 | Q270 V275 | Q270-D273 PolarHBondContact O-N 2.82Å; D273-V275 PolarHBondContact O-N 3.48Å |
| 274 | I | 61.9 | Low | 65.2 | Low | 135 Ų | 135 | 149.9 Ų | 149.9 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | trans | -83.3 | 93.7 | 172 | -53.3 | 174.9 | 0 | 0 | 0 | 108.2 | D272 Y276 | D272-I274 PolarHBondContact O-N 2.85Å; D272-I274 VanDerWaalsContact O-N 3.11Å; I274-Y276 PolarHBondContact O-N 3.32Å |
| 275 | V | 60.3 | Low | 65 | Low | 135 Ų | 135 | 154 Ų | 154 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -69.1 | 118.3 | 167.1 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | D273 | D273-V275 PolarHBondContact O-N 3.48Š|
| 276 | Y | 50.4 | Low | 63.9 | Low | 288 Ų | 288 | 156.9 Ų | 156.9 | 100% | 1.129 | 77% | 0.767 | S | S | * | * | | | trans | -62.4 | 0 | 172.6 | -87.7 | -86.8 | 0 | 0 | 0 | 113 | I274 | I274-Y276 PolarHBondContact O-N 3.32Š|