| 1 | R | 27 | Very low | 26.4 | Very low | 298 Ų | 298 | 147.2 Ų | 147.2 | 100% | 1.125 | 83% | 0.832 | S | S | * | * | | | | 0 | 116 | 0 | -69.8 | -179.6 | -175.2 | 174.3 | 1.5 | 106.6 | | |
| 2 | V | 20.8 | Very low | 26.7 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 76% | 0.764 | 83% | 0.833 | S | S | * | * | | | trans | -94.6 | 111.9 | -176.2 | 174.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 3 | W | 23.6 | Very low | 26.7 | Very low | 249 Ų | 249 | 153.5 Ų | 153.5 | 94% | 0.943 | 84% | 0.838 | S | S | * | * | | | trans | -137.1 | 120.8 | 163.4 | -81.7 | 74.5 | 0 | 0 | 0 | 110.1 | | |
| 4 | C | 25.3 | Very low | 27.2 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 75% | 0.75 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 144.7 | -176.7 | -68.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 5 | G | 25.6 | Very low | 27.5 | Very low | 79 Ų | 79 | 146.5 Ų | 146.5 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 142.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 6 | V | 28.6 | Very low | 27.9 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 116.3 | 172.8 | -173.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 7 | S | 24.9 | Very low | 28.2 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 84% | 0.836 | S | S | * | * | | | trans | -105.2 | 119.5 | 169.2 | 66.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 8 | W | 25.8 | Very low | 28.5 | Very low | 228 Ų | 228 | 138.2 Ų | 138.2 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -99.8 | 120.7 | 173.7 | -160.5 | -51.3 | 0 | 0 | 0 | 109.8 | | |
| 9 | C | 28.6 | Very low | 28.9 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | | | trans | -93.9 | 114.8 | 170.4 | -73.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 10 | G | 29.7 | Very low | 29.2 | Very low | 73 Ų | 73 | 140.9 Ų | 140.9 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | | | trans | 46.5 | 109.5 | 145.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 11 | A | 31 | Very low | 29.6 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -104 | 125.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 12 | V | 29.8 | Very low | 29.9 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 131.1 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 13 | W | 26.7 | Very low | 30.5 | Very low | 237 Ų | 237 | 134.3 Ų | 134.3 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 136.1 | 179.2 | -95.1 | 33.2 | 0 | 0 | 0 | 111.3 | | |
| 14 | C | 33.1 | Very low | 30.8 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 86% | 0.858 | 79% | 0.792 | S | S | * | * | | | trans | -130.8 | 128.3 | 158.5 | -76 | 0 | 0 | 0 | 0 | 109.1 | | |
| 15 | G | 31.8 | Very low | 31 | Very low | 76 Ų | 76 | 128.9 Ų | 128.9 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | trans | -79.1 | 166.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 16 | V | 34 | Very low | 31.2 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | | | trans | -125.9 | 117.1 | 170.2 | 178 | 0 | 0 | 0 | 0 | 108.2 | | |
| 17 | A | 34 | Very low | 31.4 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -89.6 | 131.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 18 | G | 33.2 | Very low | 31.6 | Very low | 49 Ų | 49 | 131.2 Ų | 131.2 | 51% | 0.505 | 80% | 0.802 | S | S | . | * | | | trans | -133.8 | 132 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 19 | Y | 36.1 | Very low | 31.9 | Very low | 230 Ų | 230 | 126.5 Ų | 126.5 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -157.3 | 148.8 | 147.5 | -40.6 | -81.3 | 0 | 0 | 0 | 109.4 | | |
| 20 | A | 34.5 | Very low | 32 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | 97.8 | 103.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 21 | P | 36.7 | Very low | 32 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | | | trans | -93.5 | 132.4 | 171.2 | 35.3 | -26.3 | 0 | 0 | 0 | 110.4 | | |
| 22 | A | 34.5 | Very low | 32.1 | Very low | 74 Ų | 74 | 128.9 Ų | 128.9 | 61% | 0.612 | 78% | 0.784 | S | S | * | * | | | trans | -162.9 | 132.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 23 | Y | 33.1 | Very low | 32 | Very low | 221 Ų | 221 | 126.2 Ų | 126.2 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 57.5 | 114.9 | 164.6 | 68.6 | -90.8 | 0 | 0 | 0 | 119.2 | | |
| 24 | G | 29.3 | Very low | 32.2 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | 76.3 | 125.5 | 135.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 25 | L | 30.7 | Very low | 32 | Very low | 179 Ų | 179 | 130 Ų | 130 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | | | trans | 84.6 | 95 | 159.1 | -48.8 | 171.3 | 0 | 0 | 0 | 116 | | |
| 26 | G | 30.1 | Very low | 32.2 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | 56.7 | 88.1 | 130.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 27 | Q | 33 | Very low | 32.1 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -155.1 | 122.8 | 142 | -114.3 | 140.5 | 21.6 | 0 | 0 | 110.9 | D29 | Q27-D29 PolarHBondContact O-N 2.95Å; Q27-D29 VanDerWaalsContact C-N 3.25Å |
| 28 | C | 27.8 | Very low | 31.9 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | | | trans | -79.8 | 74 | 176.7 | -49.5 | 0 | 0 | 0 | 0 | 108.3 | V30 | C28-V30 PolarHBondContact O-N 2.91Š|
| 29 | D | 32.8 | Very low | 31.8 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | | | trans | -84.9 | 99.3 | 172.6 | -82.3 | -43.3 | 0 | 0 | 0 | 109.7 | Q27 S31 | Q27-D29 PolarHBondContact O-N 2.95Å; Q27-D29 VanDerWaalsContact C-N 3.25Å; D29-S31 PolarHBondContact O-N 3.26Å |
| 30 | V | 31 | Very low | 31.5 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -68.2 | 84.3 | 161.8 | -178.1 | 0 | 0 | 0 | 0 | 107 | C28 V32 | C28-V30 PolarHBondContact O-N 2.91Å; V30-V32 PolarHBondContact O-N 2.98Å; V30-V32 HydrophobicContact CG1-CG2 4.32Å |
| 31 | S | 29.6 | Very low | 31.6 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | -71.2 | 94 | 171.9 | 31.8 | 0 | 0 | 0 | 0 | 108.2 | D29 A33 | D29-S31 PolarHBondContact O-N 3.26Å; S31-A33 VanDerWaalsContact C-N 3.26Å; S31-A33 PolarHBondContact O-N 3.44Å |
| 32 | V | 32.6 | Very low | 31.4 | Very low | 95 Ų | 95 | 137 Ų | 137 | 58% | 0.576 | 74% | 0.744 | S | S | * | * | | | trans | -70.1 | 92.2 | 165 | -173.6 | 0 | 0 | 0 | 0 | 106.8 | V30 W34 | V30-V32 PolarHBondContact O-N 2.98Å; V30-V32 HydrophobicContact CG1-CG2 4.32Å; V32-W34 VanDerWaalsContact C-N 3.31Å; V32-W34 HydrophobicContact CG1-CD2 4.31Å; V32-W34 HydrophobicContact CG1-CG 4.3Å; V32-W34 HydrophobicContact CG1-CZ2 4.2Å; V32-W34 VanDerWaalsContact O-CD1 3.29Å; V32-W34 PolarHBondContact O-N 3.21Å |
| 33 | A | 27.3 | Very low | 31.3 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | | | trans | -67.3 | 91.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | S31 R35 | S31-A33 VanDerWaalsContact C-N 3.26Å; S31-A33 PolarHBondContact O-N 3.44Å; A33-R35 PolarHBondContact O-N 3.26Å |
| 34 | W | 30.2 | Very low | 31.3 | Very low | 230 Ų | 230 | 138.1 Ų | 138.1 | 87% | 0.871 | 74% | 0.743 | S | S | * | * | | | trans | -74.7 | 67.7 | 161.8 | -61.8 | 90.7 | 0 | 0 | 0 | 108.4 | V32 | V32-W34 VanDerWaalsContact C-N 3.31Å; V32-W34 HydrophobicContact CG1-CD2 4.31Å; V32-W34 HydrophobicContact CG1-CG 4.3Å; V32-W34 HydrophobicContact CG1-CZ2 4.2Å; V32-W34 VanDerWaalsContact O-CD1 3.29Å; V32-W34 PolarHBondContact O-N 3.21Å |
| 35 | R | 29.1 | Very low | 31.5 | Very low | 213 Ų | 213 | 145.7 Ų | 145.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | -88.7 | 135.1 | 162.8 | -97.6 | -178.9 | 169.7 | 157.1 | -3.1 | 107.3 | A33 | A33-R35 PolarHBondContact O-N 3.26Š|
| 36 | D | 35.9 | Very low | 31.7 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | 87.2 | 48.3 | 161 | -46.3 | -40.3 | 0 | 0 | 0 | 119.3 | | |
| 37 | V | 32 | Very low | 31.9 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | | | trans | -115.4 | 75.8 | 148.3 | -161.6 | 0 | 0 | 0 | 0 | 109.9 | W39 | V37-W39 VanDerWaalsContact C-N 3.28Å; V37-W39 PolarHBondContact O-N 2.79Å; V37-W39 VanDerWaalsContact CG1-NE1 3.25Å; V37-W39 HydrophobicContact CG1-CG 4.31Å; V37-W39 VanDerWaalsContact CG1-CD1 3.42Å |
| 38 | A | 30 | Very low | 31.9 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | | | trans | -65 | 88.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R40 | A38-R40 PolarHBondContact O-N 3Š|
| 39 | W | 31.5 | Very low | 32 | Very low | 206 Ų | 206 | 147.2 Ų | 147.2 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | trans | -74.2 | 66.2 | 155.6 | -70.1 | 96.9 | 0 | 0 | 0 | 108.2 | V37 D41 V42 | V37-W39 VanDerWaalsContact C-N 3.28Å; V37-W39 PolarHBondContact O-N 2.79Å; V37-W39 VanDerWaalsContact CG1-NE1 3.25Å; V37-W39 HydrophobicContact CG1-CG 4.31Å; V37-W39 VanDerWaalsContact CG1-CD1 3.42Å; W39-D41 PolarHBondContact O-N 2.87Å; W39-V42 HydrophobicContact CE3-CG2 3.45Å; W39-V42 VanDerWaalsContact CE3-CG2 3.45Å; W39-V42 HydrophobicContact CZ3-CG2 3.62Å |
| 40 | R | 30.6 | Very low | 31.8 | Very low | 212 Ų | 212 | 151.6 Ų | 151.6 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | | | trans | -62.6 | 121 | 155.8 | -95.5 | 179.6 | 170.2 | 148.7 | -3.7 | 106.3 | A38 | A38-R40 PolarHBondContact O-N 3Š|
| 41 | D | 35.2 | Very low | 32 | Very low | 131 Ų | 131 | 152.7 Ų | 152.7 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | 68.3 | 39.7 | 153 | -52 | -50.3 | 0 | 0 | 0 | 118.9 | W39 T43 | W39-D41 PolarHBondContact O-N 2.87Å; D41-T43 PolarHBondContact O-N 3.1Å |
| 42 | V | 33.4 | Very low | 32.1 | Very low | 84 Ų | 84 | 154 Ų | 154 | 51% | 0.509 | 75% | 0.747 | S | S | . | * | | | trans | -82 | 80.6 | 153 | -173 | 0 | 0 | 0 | 0 | 107.8 | W39 W44 | W39-V42 HydrophobicContact CE3-CG2 3.45Å; W39-V42 VanDerWaalsContact CE3-CG2 3.45Å; W39-V42 HydrophobicContact CZ3-CG2 3.62Å; V42-W44 PolarHBondContact O-N 3.21Å; V42-W44 VanDerWaalsContact C-N 3.34Å |
| 43 | T | 31.6 | Very low | 32 | Very low | 103 Ų | 103 | 153.2 Ų | 153.2 | 63% | 0.632 | 75% | 0.751 | S | S | * | * | | | trans | -58.2 | 95.5 | 167.2 | 46.9 | 0 | 0 | 0 | 0 | 109.2 | D41 R45 | D41-T43 PolarHBondContact O-N 3.1Å; T43-R45 PolarHBondContact O-N 3.29Å |
| 44 | W | 33.3 | Very low | 32.2 | Very low | 214 Ų | 214 | 158.7 Ų | 158.7 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 63 | 166.3 | -89.5 | 69.2 | 0 | 0 | 0 | 110.5 | V42 V47 | V42-W44 PolarHBondContact O-N 3.21Å; V42-W44 VanDerWaalsContact C-N 3.34Å; W44-V47 HydrophobicContact CE3-CG2 4.02Å; W44-V47 HydrophobicContact CZ3-CG2 4.19Å |
| 45 | R | 34.2 | Very low | 32.2 | Very low | 228 Ų | 228 | 158.3 Ų | 158.3 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | -1.9 | 172.7 | -90.6 | -173.2 | 172.9 | 156.5 | -0.8 | 114.6 | T43 | T43-R45 PolarHBondContact O-N 3.29Š|
| 46 | D | 34.6 | Very low | 32.5 | Very low | 143 Ų | 143 | 155.6 Ų | 155.6 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | trans | -132.7 | 33.7 | -175.6 | -66.5 | -62.4 | 0 | 0 | 0 | 113.8 | A48 | D46-A48 VanDerWaalsContact C-N 3.26Å; D46-A48 PolarHBondContact O-N 2.91Å |
| 47 | V | 34.2 | Very low | 32.3 | Very low | 108 Ų | 108 | 154.6 Ų | 154.6 | 66% | 0.655 | 75% | 0.753 | S | S | * | * | | | trans | -72.5 | 94.5 | 163.7 | -176.6 | 0 | 0 | 0 | 0 | 107.3 | W44 W49 | W44-V47 HydrophobicContact CE3-CG2 4.02Å; W44-V47 HydrophobicContact CZ3-CG2 4.19Å; V47-W49 PolarHBondContact O-N 3.02Å; V47-W49 VanDerWaalsContact O-N 3.1Å |
| 48 | A | 32 | Very low | 32.3 | Very low | 82 Ų | 82 | 153.9 Ų | 153.9 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | trans | -41.7 | 108.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D46 R50 | D46-A48 VanDerWaalsContact C-N 3.26Å; D46-A48 PolarHBondContact O-N 2.91Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.05Å |
| 49 | W | 29.7 | Very low | 32.2 | Very low | 252 Ų | 252 | 159.3 Ų | 159.3 | 96% | 0.955 | 76% | 0.761 | S | S | * | * | | | trans | -53 | 89.2 | 146.3 | -70.8 | 74.9 | 0 | 0 | 0 | 108.9 | V47 | V47-W49 PolarHBondContact O-N 3.02Å; V47-W49 VanDerWaalsContact O-N 3.1Å |
| 50 | R | 30 | Very low | 32.3 | Very low | 221 Ų | 221 | 161 Ų | 161 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | -158.7 | 0.4 | 169.5 | -116.6 | 160.2 | -169.2 | 178.9 | 3 | 120.4 | A48 | A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.05Å |
| 51 | D | 34.2 | Very low | 32.5 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | | | trans | -132.9 | 21.3 | 179.6 | -74.6 | -54.1 | 0 | 0 | 0 | 115.9 | A53 | D51-A53 PolarHBondContact O-N 2.95Š|
| 52 | V | 32.5 | Very low | 32.3 | Very low | 131 Ų | 131 | 153.7 Ų | 153.7 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -81.6 | 64.1 | 155.5 | -170.7 | 0 | 0 | 0 | 0 | 107.5 | W54 | V52-W54 PolarHBondContact O-N 3.24Š|
| 53 | A | 31 | Very low | 32.3 | Very low | 79 Ų | 79 | 153.8 Ų | 153.8 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | | | trans | -71.9 | 99.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | D51 R55 | D51-A53 PolarHBondContact O-N 2.95Å; A53-R55 VanDerWaalsContact C-N 3.31Å; A53-R55 PolarHBondContact O-N 3.05Å |
| 54 | W | 29.8 | Very low | 32.4 | Very low | 198 Ų | 198 | 159.3 Ų | 159.3 | 75% | 0.75 | 80% | 0.796 | S | S | * | * | | | trans | -44 | 93.4 | 154.1 | -74.7 | 68.5 | 0 | 0 | 0 | 110.4 | V52 W59 | V52-W54 PolarHBondContact O-N 3.24Å; W54-W59 AromaticContact CH2-NE1 3.85Å; W54-W59 AromaticContact CZ3-CD1 3.8Å; W54-W59 AromaticContact CZ3-NE1 3.57Å |
| 55 | R | 31.3 | Very low | 32.4 | Very low | 222 Ų | 222 | 160 Ų | 160 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -138 | 116.3 | 160.8 | -87.3 | -174.8 | 167.3 | 162.7 | -4.4 | 107.6 | A53 | A53-R55 VanDerWaalsContact C-N 3.31Å; A53-R55 PolarHBondContact O-N 3.05Å |
| 56 | D | 34.5 | Very low | 32.1 | Very low | 157 Ų | 157 | 152.4 Ų | 152.4 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 102.9 | 8.2 | 165.9 | -49.7 | -28.2 | 0 | 0 | 0 | 120.3 | | |
| 57 | V | 32.6 | Very low | 31.8 | Very low | 126 Ų | 126 | 154.3 Ų | 154.3 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | | | trans | -127.2 | 58.2 | 160.9 | -163.1 | 0 | 0 | 0 | 0 | 110.4 | W59 | V57-W59 PolarHBondContact O-N 2.87Š|
| 58 | A | 31.2 | Very low | 31.6 | Very low | 94 Ų | 94 | 152.7 Ų | 152.7 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | | | trans | -80.9 | 89.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 59 | W | 28.6 | Very low | 31.7 | Very low | 199 Ų | 199 | 159.1 Ų | 159.1 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | | | | 16.1 | 110.7 | 129.4 | -61.9 | 79.7 | 0 | 0 | 0 | 115.9 | W54 V57 | W54-W59 AromaticContact CH2-NE1 3.85Å; W54-W59 AromaticContact CZ3-CD1 3.8Å; W54-W59 AromaticContact CZ3-NE1 3.57Å; V57-W59 PolarHBondContact O-N 2.87Å |
| 60 | R | 32.8 | Very low | 31.7 | Very low | 243 Ų | 243 | 157.1 Ų | 157.1 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | | | | -177 | 95.3 | 118.7 | -97.4 | 163.9 | -169.9 | -166.6 | 4 | 109.8 | A62 | R60-A62 PolarHBondContact O-N 3.34Š|
| 61 | G | 36.3 | Very low | 31.7 | Very low | 74 Ų | 74 | 157 Ų | 157 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | | 49.4 | 68 | 129.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A63 | G61-A63 PolarHBondContact O-N 3.37Š|
| 62 | A | 31.2 | Very low | 31.5 | Very low | 114 Ų | 114 | 157.4 Ų | 157.4 | 94% | 0.942 | 81% | 0.806 | S | S | * | * | | | trans | -52.9 | 84.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | R60 | R60-A62 PolarHBondContact O-N 3.34Š|
| 63 | A | 32 | Very low | 31.3 | Very low | 86 Ų | 86 | 153.5 Ų | 153.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -138.6 | 66.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | G61 | G61-A63 PolarHBondContact O-N 3.37Š|
| 64 | R | 33.8 | Very low | 31.1 | Very low | 219 Ų | 219 | 157.9 Ų | 157.9 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -150.6 | 1.7 | 163.1 | -117.8 | 176.1 | -167.5 | -166.9 | 2.6 | 117.6 | | |
| 65 | Y | 32.8 | Very low | 30.9 | Very low | 230 Ų | 230 | 157.2 Ų | 157.2 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -140.5 | 96.2 | 167.2 | -65.6 | -74.5 | 0 | 0 | 0 | 109.2 | | |
| 66 | G | 29.5 | Very low | 30.7 | Very low | 67 Ų | 67 | 150.3 Ų | 150.3 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | -70.9 | 147.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 67 | L | 28.5 | Very low | 30.5 | Very low | 184 Ų | 184 | 149.1 Ų | 149.1 | 96% | 0.963 | 80% | 0.796 | S | S | * | * | | | trans | 63.7 | 77.4 | 145.3 | -61.3 | 164.7 | 0 | 0 | 0 | 114.8 | | |
| 68 | A | 29.8 | Very low | 30.2 | Very low | 74 Ų | 74 | 149.3 Ų | 149.3 | 61% | 0.612 | 80% | 0.796 | S | S | * | * | | | trans | -138.2 | 95 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 69 | W | 33.1 | Very low | 30 | Very low | 217 Ų | 217 | 157.5 Ų | 157.5 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 67.4 | 121.9 | 150 | -40.9 | 96.3 | 0 | 0 | 0 | 116.4 | | |
| 70 | R | 30.8 | Very low | 29.9 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | cis | -165.9 | 128.1 | 9.5 | -98.8 | 163.1 | 171.6 | -120.6 | -0.6 | 103 | V72 | R70-V72 PolarHBondContact O-N 2.9Š|
| 71 | R | 29.9 | Very low | 29.6 | Very low | 217 Ų | 217 | 145.9 Ų | 145.9 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | | | trans | 28.5 | 97.3 | 145.4 | -55.5 | -178.1 | -177.7 | 177.3 | -0.5 | 113.5 | A73 | R71-A73 PolarHBondContact O-N 2.93Å; R71-A73 HydrophobicContact CB-CB 3.66Å |
| 72 | V | 30.5 | Very low | 29.3 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 99% | 0.994 | 79% | 0.791 | S | S | * | * | | | | 6.1 | 61.1 | 77.8 | -162.7 | 0 | 0 | 0 | 0 | 112.1 | R70 | R70-V72 PolarHBondContact O-N 2.9Š|
| 73 | A | 26.9 | Very low | 29 | Very low | 50 Ų | 50 | 148.3 Ų | 148.3 | 41% | 0.413 | 78% | 0.777 | S | S | . | * | | | trans | -144.6 | 107.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 102.9 | R71 | R71-A73 PolarHBondContact O-N 2.93Å; R71-A73 HydrophobicContact CB-CB 3.66Å |
| 74 | Q | 27.1 | Very low | 28.9 | Very low | 170 Ų | 170 | 155.8 Ų | 155.8 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | | 56.6 | 119.2 | 104.1 | -63.4 | 177.6 | 3.4 | 0 | 0 | 110.4 | | |
| 75 | H | 26.2 | Very low | 28.7 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | | | trans | 98.7 | 103.4 | 176.9 | -54.2 | -74.5 | 0 | 0 | 0 | 116.2 | | |
| 76 | G | 26.7 | Very low | 28.5 | Very low | 77 Ų | 77 | 144.8 Ų | 144.8 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | 78.8 | 75.5 | 135.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 77 | V | 29.6 | Very low | 28.5 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -111.4 | 101.8 | 155.3 | -162.3 | 0 | 0 | 0 | 0 | 107.1 | W79 | V77-W79 PolarHBondContact O-N 3.1Š|
| 78 | V | 27.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | | | trans | -55.9 | 117.1 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | G80 | V78-G80 PolarHBondContact O-N 2.98Š|
| 79 | W | 26.7 | Very low | 28.2 | Very low | 266 Ų | 266 | 153.8 Ų | 153.8 | 100% | 1.008 | 79% | 0.789 | S | S | * | * | | | trans | -74.7 | 80.4 | 166.1 | -78.4 | 48.8 | 0 | 0 | 0 | 107.3 | V77 | V77-W79 PolarHBondContact O-N 3.1Š|
| 80 | G | 25.8 | Very low | 27.9 | Very low | 44 Ų | 44 | 146.9 Ų | 146.9 | 45% | 0.454 | 79% | 0.785 | S | S | . | * | | | trans | -126.4 | 123.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V78 | V78-G80 PolarHBondContact O-N 2.98Š|
| 81 | N | 26.6 | Very low | 27.7 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | 70.5 | 76.1 | 158.4 | -52.8 | -26 | 0 | 0 | 0 | 117 | | |
| 82 | V | 29 | Very low | 27.4 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | -109 | 91.6 | 146.5 | -175 | 0 | 0 | 0 | 0 | 107.8 | | |
| 83 | V | 26.6 | Very low | 27.2 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 65% | 0.648 | 78% | 0.781 | S | S | * | * | | | trans | -88 | 112.7 | 168.2 | 173.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 84 | W | 30 | Very low | 27.1 | Very low | 242 Ų | 242 | 148.7 Ų | 148.7 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | | | trans | -145.7 | 115.6 | 168 | -83.6 | 70.5 | 0 | 0 | 0 | 106.5 | | |
| 85 | G | 27.8 | Very low | 27.3 | Very low | 69 Ų | 69 | 145.2 Ų | 145.2 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | cis | -160.9 | 131.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 86 | N | 28.8 | Very low | 27.5 | Very low | 149 Ų | 149 | 148 Ų | 148 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | trans | -77.5 | 128.7 | -176.5 | -69.2 | -56.6 | 0 | 0 | 0 | 112.3 | | |
| 87 | V | 29.3 | Very low | 27.3 | Very low | 138 Ų | 138 | 154 Ų | 154 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | trans | -162.2 | 126.9 | 147.6 | -123.3 | 0 | 0 | 0 | 0 | 105.5 | | |
| 88 | V | 28.6 | Very low | 27.2 | Very low | 122 Ų | 122 | 154.5 Ų | 154.5 | 74% | 0.739 | 81% | 0.812 | S | S | * | * | | | cis | -152.6 | 132.8 | 23.6 | 168.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 89 | W | 24.5 | Very low | 26.9 | Very low | 254 Ų | 254 | 160.5 Ų | 160.5 | 96% | 0.962 | 82% | 0.821 | S | S | * | * | | | trans | 35.3 | 125.5 | 149.5 | -75.4 | 39.4 | 0 | 0 | 0 | 122.5 | | |
| 90 | G | 25.8 | Very low | 26.9 | Very low | 72 Ų | 72 | 154.1 Ų | 154.1 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | | | | 137.4 | 106 | 128.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 91 | A | 27 | Very low | 27 | Very low | 88 Ų | 88 | 155.1 Ų | 155.1 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | | | trans | 58.5 | 92.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 92 | W | 23.1 | Very low | 27 | Very low | 230 Ų | 230 | 155.4 Ų | 155.4 | 87% | 0.871 | 83% | 0.832 | S | S | * | * | | | | 49.2 | 107 | 95.8 | -67.3 | 79.1 | 0 | 0 | 0 | 112.4 | | |
| 93 | W | 26.9 | Very low | 26.5 | Very low | 243 Ų | 243 | 160 Ų | 160 | 92% | 0.92 | 84% | 0.836 | S | S | * | * | | | | 171.6 | 128.2 | 111.5 | -90 | 90.6 | 0 | 0 | 0 | 109.6 | | |
| 94 | S | 25.7 | Very low | 26.5 | Very low | 118 Ų | 118 | 160.8 Ų | 160.8 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | | | trans | -68.3 | 140.3 | -171.2 | -50.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 95 | A | 30.9 | Very low | 26.7 | Very low | 97 Ų | 97 | 155.5 Ų | 155.5 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | | | trans | -166.4 | 97.2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 96 | R | 29.7 | Very low | 26.6 | Very low | 243 Ų | 243 | 158.4 Ų | 158.4 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | | | trans | 62.3 | 94.6 | 134.6 | -128.5 | 168.5 | -167.6 | 163.2 | 2 | 119 | | |
| 97 | F | 23.4 | Very low | 26.7 | Very low | 202 Ų | 202 | 154.7 Ų | 154.7 | 89% | 0.886 | 84% | 0.839 | S | S | * | * | | | trans | -62.5 | 141.6 | 157.2 | -63.1 | -89.9 | 0 | 0 | 0 | 112.2 | | |
| 98 | V | 27 | Very low | 26.9 | Very low | 144 Ų | 144 | 153.2 Ų | 153.2 | 87% | 0.873 | 83% | 0.834 | S | S | * | * | | | trans | -139.6 | 125.1 | 139.8 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 99 | W | 22.5 | Very low | 27.1 | Very low | 256 Ų | 256 | 150.6 Ų | 150.6 | 97% | 0.97 | 83% | 0.831 | S | S | * | * | | | trans | -93.2 | 129.7 | -178.3 | -145.5 | 40.9 | 0 | 0 | 0 | 108.4 | | |
| 100 | C | 26.5 | Very low | 27.8 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | | | trans | -158.9 | 152.5 | 160.8 | -131.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 101 | G | 28.4 | Very low | 28 | Very low | 66 Ų | 66 | 147.1 Ų | 147.1 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | | | trans | -46.1 | 151.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | R103 | G101-R103 PolarHBondContact O-N 3.35Š|
| 102 | V | 24.6 | Very low | 28.4 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -33.6 | 90.1 | 179.2 | -168.9 | 0 | 0 | 0 | 0 | 114 | | |
| 103 | R | 20.6 | Very low | 29 | Very low | 230 Ų | 230 | 148 Ų | 148 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | | | trans | -167 | 101.1 | 156.3 | -156.7 | 178.4 | -166.2 | 166.2 | 3.6 | 109.5 | G101 | G101-R103 PolarHBondContact O-N 3.35Š|
| 104 | C | 26.4 | Very low | 29.3 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | | | trans | -157.2 | 103.6 | 159.8 | -87.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 105 | V | 32.4 | Very low | 29.8 | Very low | 132 Ų | 132 | 139 Ų | 139 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | | 62 | 108.9 | 92.1 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | G107 | V105-G107 VanDerWaalsContact C-N 3.34Å; V105-G107 PolarHBondContact O-N 3.42Å |
| 106 | V | 27.4 | Very low | 30.3 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | | | trans | -53.4 | 94.9 | 168.5 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | C108 | V106-C108 WeakPolarHBondContact CG1-SG 3.38Š|
| 107 | G | 29.9 | Very low | 30.8 | Very low | 71 Ų | 71 | 139.5 Ų | 139.5 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | trans | -94.9 | 88.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | V105 G109 | V105-G107 VanDerWaalsContact C-N 3.34Å; V105-G107 PolarHBondContact O-N 3.42Å; G107-G109 VanDerWaalsContact C-N 3.26Å; G107-G109 PolarHBondContact O-N 3.35Å |
| 108 | C | 34.8 | Very low | 31.6 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | | | trans | -67.2 | 88.6 | 171.3 | -66.2 | 0 | 0 | 0 | 0 | 109.3 | V106 | V106-C108 WeakPolarHBondContact CG1-SG 3.38Š|
| 109 | G | 32.6 | Very low | 32.5 | Very low | 66 Ų | 66 | 129.6 Ų | 129.6 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | | | trans | -70.9 | 121.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | G107 D111 | G107-G109 VanDerWaalsContact C-N 3.26Å; G107-G109 PolarHBondContact O-N 3.35Å; G109-D111 PolarHBondContact O-N 3.16Å |
| 110 | V | 38 | Very low | 33.6 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | | | trans | -78.4 | 108.5 | -170.8 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | P112 | V110-P112 WeakPolarHBondContact O-CD 3.5Š|
| 111 | D | 30.7 | Very low | 34.5 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 69% | 0.69 | 72% | 0.716 | S | S | * | * | | | trans | -68.5 | 125 | 167.3 | -74.6 | -57.4 | 0 | 0 | 0 | 110.1 | G109 W113 | G109-D111 PolarHBondContact O-N 3.16Å; D111-W113 PolarHBondContact O-N 2.88Å |
| 112 | P | 34.8 | Very low | 35.4 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 10.6 | -172.4 | -18.5 | 30 | 0 | 0 | 0 | 116.9 | V110 | V110-P112 WeakPolarHBondContact O-CD 3.5Š|
| 113 | W | 35.9 | Very low | 36.1 | Very low | 234 Ų | 234 | 122.7 Ų | 122.7 | 89% | 0.886 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.4 | 2.6 | -167.4 | -58.9 | 68.2 | 0 | 0 | 0 | 113.9 | D111 | D111-W113 PolarHBondContact O-N 2.88Š|
| 114 | C | 32.9 | Very low | 37.3 | Very low | 103 Ų | 103 | 121 Ų | 121 | 70% | 0.696 | 69% | 0.685 | S | S | * | * | | | trans | -98.7 | 22.5 | 179.3 | -97.2 | 0 | 0 | 0 | 0 | 114.6 | D116 | C114-D116 PolarHBondContact O-N 3.42Š|
| 115 | S | 36.3 | Very low | 37.9 | Very low | 67 Ų | 67 | 125.4 Ų | 125.4 | 47% | 0.469 | 69% | 0.686 | S | S | . | * | G | 310 helix | trans | -78.4 | -6.1 | -172.3 | -67.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 116 | D | 42 | Very low | 38.2 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -98.6 | 7.8 | -170 | -69.7 | -24.2 | 0 | 0 | 0 | 115.8 | C114 | C114-D116 PolarHBondContact O-N 3.42Š|
| 117 | K | 40.3 | Very low | 38.8 | Very low | 193 Ų | 193 | 126 Ų | 126 | 84% | 0.839 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -124.2 | 14 | 178.4 | -65.3 | -164.9 | 178 | -177 | 0 | 115.4 | T119 | K117-T119 PolarHBondContact O-N 2.89Š|
| 118 | L | 38.7 | Very low | 39.2 | Very low | 47 Ų | 47 | 124.6 Ų | 124.6 | 25% | 0.246 | 65% | 0.647 | C | S | . | * | | | trans | -82.4 | 115.6 | -177.1 | -64.6 | 165.1 | 0 | 0 | 0 | 111 | Q122 H126 | L118-Q122 HydrophobicContact CB-CB 4.07Å; L118-Q122 HydrophobicContact CD2-CB 3.85Å; L118-Q122 VanDerWaalsContact CD2-CD 3.4Å; L118-Q122 HydrophobicContact CD2-CG 4.25Å; L118-Q122 HydrophobicContact CG-CB 4.49Å; L118-H126 WeakPolarHBondContact CD1-NE2 3.18Å |
| 119 | T | 46.5 | Very low | 39.4 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | | | trans | -60.1 | 157.1 | 173.3 | 52.5 | 0 | 0 | 0 | 0 | 111 | K117 A121 Q122 | K117-T119 PolarHBondContact O-N 2.89Å; T119-A121 PolarHBondContact O-N 2.83Å; T119-Q122 PolarHBondContact O-N 2.9Å |
| 120 | T | 45.9 | Very low | 39.9 | Very low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -18.4 | -176.6 | -13.5 | 0 | 0 | 0 | 0 | 114 | | |
| 121 | A | 45.5 | Very low | 40.4 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 56% | 0.562 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -29.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | T119 | T119-A121 PolarHBondContact O-N 2.83Š|
| 122 | Q | 46.3 | Very low | 41.3 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 47% | 0.467 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -83.8 | -18.5 | -179.8 | -70 | -178.3 | -65 | 0 | 0 | 113.6 | L118 T119 R124 Y125 | L118-Q122 HydrophobicContact CB-CB 4.07Å; L118-Q122 HydrophobicContact CD2-CB 3.85Å; L118-Q122 VanDerWaalsContact CD2-CD 3.4Å; L118-Q122 HydrophobicContact CD2-CG 4.25Å; L118-Q122 HydrophobicContact CG-CB 4.49Å; T119-Q122 PolarHBondContact O-N 2.9Å; Q122-R124 PolarHBondContact O-N 2.91Å; Q122-R124 VanDerWaalsContact O-N 3.16Å; Q122-Y125 PolarHBondContact O-N 3.06Å |
| 123 | R | 40.4 | Very low | 41.9 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 68% | 0.675 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -61.9 | -20.5 | 173.7 | -67.1 | -174.2 | -164.7 | -135.7 | 0.6 | 113.2 | Y125 H126 | R123-Y125 PolarHBondContact O-N 2.84Å; R123-Y125 VanDerWaalsContact C-N 3.3Å; R123-H126 PolarHBondContact O-N 3.31Å |
| 124 | R | 45.4 | Very low | 42.5 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 74% | 0.736 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -75.1 | -16.5 | -177.2 | -122.2 | -179.9 | -81.4 | -176 | -5.3 | 114.3 | Q122 | Q122-R124 PolarHBondContact O-N 2.91Å; Q122-R124 VanDerWaalsContact O-N 3.16Å |
| 125 | Y | 39 | Very low | 43.1 | Very low | 213 Ų | 213 | 139.5 Ų | 139.5 | 84% | 0.835 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -108.2 | 5.3 | 174.1 | -66.8 | -75.6 | 0 | 0 | 0 | 113.2 | Q122 R123 F127 | Q122-Y125 PolarHBondContact O-N 3.06Å; R123-Y125 PolarHBondContact O-N 2.84Å; R123-Y125 VanDerWaalsContact C-N 3.3Å; Y125-F127 PolarHBondContact O-N 3.04Å |
| 126 | H | 38.1 | Very low | 43.5 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 51% | 0.505 | 66% | 0.662 | S | S | . | * | | | trans | -80.4 | 46.4 | 170.2 | -112.4 | -90.1 | 0 | 0 | 0 | 111 | L118 R123 T128 | L118-H126 WeakPolarHBondContact CD1-NE2 3.18Å; R123-H126 PolarHBondContact O-N 3.31Å; H126-T128 VanDerWaalsContact C-N 3.27Å; H126-T128 PolarHBondContact O-N 2.85Å |
| 127 | F | 41.7 | Very low | 43.6 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 72% | 0.719 | 65% | 0.652 | S | S | * | * | | | trans | -80.6 | 85 | 166.1 | -87.9 | -84.9 | 0 | 0 | 0 | 108.8 | Y125 | Y125-F127 PolarHBondContact O-N 3.04Š|
| 128 | T | 37 | Very low | 43.7 | Very low | 43 Ų | 43 | 139.5 Ų | 139.5 | 26% | 0.264 | 64% | 0.641 | S | S | . | * | | | trans | 59.8 | 63.8 | 130.3 | 61.9 | 0 | 0 | 0 | 0 | 119.2 | H126 K130 E131 I132 | H126-T128 VanDerWaalsContact C-N 3.27Å; H126-T128 PolarHBondContact O-N 2.85Å; T128-K130 PolarHBondContact O-N 2.94Å; T128-E131 WeakPolarHBondContact CG2-OE2 3.47Å; T128-E131 PolarHBondContact OG1-OE2 2.92Å; T128-E131 PolarHBondContact O-N 2.94Å; T128-E131 HydrophobicContact CG2-CG 3.77Å; T128-E131 VanDerWaalsContact CG2-CD 3.45Å; T128-E131 HydrophobicContact CG2-CB 4.33Å; T128-E131 WeakPolarHBondContact CB-OE2 3.24Å; T128-E131 VanDerWaalsContact CB-OE2 3.24Å; T128-I132 WeakPolarHBondContact O-CD1 3.42Å; T128-I132 WeakPolarHBondContact O-CG1 3.36Å; T128-I132 PolarHBondContact O-N 3.4Å |
| 129 | Y | 38.8 | Very low | 44 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -26 | 153.3 | -174.3 | -97.4 | 0 | 0 | 0 | 112.3 | K133 | Y129-K133 HydrophobicContact CE1-CD 4.3Å; Y129-K133 WeakPolarHBondContact OH-CE 3.38Å; Y129-K133 PolarHBondContact OH-NZ 3.06Å |
| 130 | K | 44.5 | Very low | 43.9 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 82% | 0.817 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -11.8 | 177.3 | -77 | -173.1 | 177.6 | 178.9 | 0 | 114.9 | T128 | T128-K130 PolarHBondContact O-N 2.94Š|
| 131 | E | 47.4 | Very low | 43.7 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 53% | 0.528 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95 | -31.7 | 170.4 | -67.6 | 177 | 157.6 | 0 | 0 | 111.8 | T128 K133 R134 | T128-E131 WeakPolarHBondContact CG2-OE2 3.47Å; T128-E131 PolarHBondContact OG1-OE2 2.92Å; T128-E131 PolarHBondContact O-N 2.94Å; T128-E131 HydrophobicContact CG2-CG 3.77Å; T128-E131 VanDerWaalsContact CG2-CD 3.45Å; T128-E131 HydrophobicContact CG2-CB 4.33Å; T128-E131 WeakPolarHBondContact CB-OE2 3.24Å; T128-E131 VanDerWaalsContact CB-OE2 3.24Å; E131-K133 PolarHBondContact O-N 2.93Å; E131-K133 VanDerWaalsContact O-N 3.1Å; E131-R134 PolarHBondContact O-N 2.96Å |
| 132 | I | 49.6 | Very low | 43.6 | Very low | 124 Ų | 124 | 156 Ų | 156 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -15.4 | -180 | -63.8 | 165 | 0 | 0 | 0 | 112.9 | T128 | T128-I132 WeakPolarHBondContact O-CD1 3.42Å; T128-I132 WeakPolarHBondContact O-CG1 3.36Å; T128-I132 PolarHBondContact O-N 3.4Å |
| 133 | K | 47.1 | Very low | 43.4 | Very low | 155 Ų | 155 | 160.3 Ų | 160.3 | 67% | 0.674 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 4.3 | 173.2 | -88.4 | -176.5 | 171.2 | 174.7 | 0 | 114.9 | Y129 E131 | Y129-K133 HydrophobicContact CE1-CD 4.3Å; Y129-K133 WeakPolarHBondContact OH-CE 3.38Å; Y129-K133 PolarHBondContact OH-NZ 3.06Å; E131-K133 PolarHBondContact O-N 2.93Å; E131-K133 VanDerWaalsContact O-N 3.1Å |
| 134 | R | 49 | Very low | 43.7 | Very low | 230 Ų | 230 | 158.8 Ų | 158.8 | 87% | 0.868 | 69% | 0.691 | S | S | * | * | | | trans | -117.9 | 6.9 | 177.4 | -87.4 | -174.7 | 175.1 | -174 | -1.6 | 113.9 | E131 | E131-R134 PolarHBondContact O-N 2.96Š|
| 135 | I | 46.5 | Very low | 43.5 | Very low | 210 Ų | 210 | 155.5 Ų | 155.5 | 100% | 1.077 | 69% | 0.687 | S | S | * | * | | | trans | -106.5 | 0 | 164.8 | -46.7 | 174.3 | 0 | 0 | 0 | 107.4 | | |