| 1 | M | 48.1 | Very low | 65.3 | Low | 230 Ų | 230 | 178.6 Ų | 178.6 | 100% | 1.133 | 88% | 0.88 | S | S | * | * | | | | 0 | 104.6 | 0 | -65.2 | -62.9 | 175.8 | 0 | 0 | 109.8 | K3 | M1-K3 PolarHBondContact O-N 3.23Š|
| 2 | P | 56.7 | Low | 65.4 | Low | 125 Ų | 125 | 180.3 Ų | 180.3 | 81% | 0.812 | 87% | 0.869 | S | S | * | * | | | trans | -73.1 | 123.9 | 177.4 | 28.5 | -31.3 | 0 | 0 | 0 | 110.7 | T4 | P2-T4 PolarHBondContact O-N 3.12Å; P2-T4 VanDerWaalsContact O-N 3.12Å |
| 3 | K | 63.7 | Low | 65.3 | Low | 203 Ų | 203 | 184.8 Ų | 184.8 | 88% | 0.883 | 87% | 0.872 | S | S | * | * | | | trans | -71.2 | 100.1 | 176.4 | -79.3 | 175 | 176.8 | 171.9 | 0 | 109.6 | M1 R5 | M1-K3 PolarHBondContact O-N 3.23Å; K3-R5 PolarHBondContact O-N 3.48Å |
| 4 | T | 66.3 | Low | 65.5 | Low | 135 Ų | 135 | 184.2 Ų | 184.2 | 83% | 0.828 | 86% | 0.859 | S | S | * | * | | | trans | -60.9 | 104.9 | 170.1 | 27.3 | 0 | 0 | 0 | 0 | 110.1 | P2 R6 | P2-T4 PolarHBondContact O-N 3.12Å; P2-T4 VanDerWaalsContact O-N 3.12Å; T4-R6 PolarHBondContact O-N 3.45Å |
| 5 | R | 68.5 | Low | 65.4 | Low | 244 Ų | 244 | 179.5 Ų | 179.5 | 92% | 0.921 | 85% | 0.851 | S | S | * | * | | | trans | -68.5 | 113.5 | 170.4 | -79.1 | -176.1 | 172.2 | -151.1 | -1 | 108.6 | K3 | K3-R5 PolarHBondContact O-N 3.48Š|
| 6 | R | 71.7 | Confident | 65.3 | Low | 236 Ų | 236 | 176.4 Ų | 176.4 | 89% | 0.891 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 135 | 174.3 | -69.7 | -175.1 | 176.3 | -148.2 | -0.4 | 110.3 | T4 R8 | T4-R6 PolarHBondContact O-N 3.45Å; R6-R8 PolarHBondContact O-N 3.04Å |
| 7 | P | 68.3 | Low | 65.2 | Low | 123 Ų | 123 | 173.8 Ų | 173.8 | 80% | 0.799 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 132.6 | 179.6 | 23.7 | -30.5 | 0 | 0 | 0 | 111.2 | | |
| 8 | R | 71.4 | Confident | 65.1 | Low | 241 Ų | 241 | 177.3 Ų | 177.3 | 91% | 0.909 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 137 | 175.5 | -92.4 | 178.8 | 167 | 169 | -3.8 | 109.9 | R6 A10 | R6-R8 PolarHBondContact O-N 3.04Å; R8-A10 PolarHBondContact O-N 3.35Å |
| 9 | P | 67.7 | Low | 65.2 | Low | 124 Ų | 124 | 178.3 Ų | 178.3 | 81% | 0.805 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 128.2 | -179.6 | -4.8 | 12.4 | 0 | 0 | 0 | 111.3 | K11 | P9-K11 PolarHBondContact O-N 2.98Š|
| 10 | A | 68.1 | Low | 65 | Low | 97 Ų | 97 | 175.6 Ų | 175.6 | 80% | 0.802 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | R8 R12 | R8-A10 PolarHBondContact O-N 3.35Å; A10-R12 PolarHBondContact O-N 3.25Å |
| 11 | K | 68.2 | Low | 64.9 | Low | 207 Ų | 207 | 178.5 Ų | 178.5 | 90% | 0.9 | 85% | 0.848 | S | S | * | * | | | trans | -59.8 | 106.6 | 174 | -93.9 | -179.6 | 176.1 | 177.7 | 0 | 109.3 | P9 R13 | P9-K11 PolarHBondContact O-N 2.98Å; K11-R13 PolarHBondContact O-N 3.24Å; K11-R13 VanDerWaalsContact O-N 3.09Å |
| 12 | R | 66.4 | Low | 65.5 | Low | 198 Ų | 198 | 173.5 Ų | 173.5 | 75% | 0.747 | 83% | 0.833 | S | S | * | * | | | trans | -60.6 | 107.5 | 174.5 | -139.9 | 173.1 | -173.2 | -96.1 | 1.3 | 108.7 | A10 Y14 | A10-R12 PolarHBondContact O-N 3.25Å; R12-Y14 HydrophobicContact CB-CE2 4.47Å; R12-Y14 PolarHBondContact O-N 3.09Å |
| 13 | R | 64.2 | Low | 65.8 | Low | 240 Ų | 240 | 174.1 Ų | 174.1 | 91% | 0.906 | 84% | 0.835 | S | S | * | * | | | trans | -72.6 | 109.2 | 169.7 | -84.3 | -175.5 | -175.2 | -104.2 | 2.4 | 107.7 | K11 | K11-R13 PolarHBondContact O-N 3.24Å; K11-R13 VanDerWaalsContact O-N 3.09Å |
| 14 | Y | 68.2 | Low | 65.6 | Low | 176 Ų | 176 | 174.4 Ų | 174.4 | 69% | 0.69 | 83% | 0.83 | S | S | * | * | | | trans | -73.3 | 126.3 | 170.7 | -71.3 | -85.3 | 0 | 0 | 0 | 109.4 | R12 T16 | R12-Y14 HydrophobicContact CB-CE2 4.47Å; R12-Y14 PolarHBondContact O-N 3.09Å; Y14-T16 PolarHBondContact O-N 3.18Å |
| 15 | P | 64 | Low | 65.1 | Low | 113 Ų | 113 | 177.5 Ų | 177.5 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | | | trans | -69.6 | 114.8 | 172.7 | 26.7 | -30.1 | 0 | 0 | 0 | 108.8 | T17 | P15-T17 PolarHBondContact O-N 3.1Å; P15-T17 VanDerWaalsContact O-N 3.1Å |
| 16 | T | 63.8 | Low | 64.5 | Low | 131 Ų | 131 | 175.8 Ų | 175.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -76.2 | 94.7 | 171.4 | 28.8 | 0 | 0 | 0 | 0 | 108.9 | Y14 R18 | Y14-T16 PolarHBondContact O-N 3.18Å; T16-R18 PolarHBondContact O-N 3.35Å |
| 17 | T | 63.4 | Low | 63.9 | Low | 132 Ų | 132 | 172.6 Ų | 172.6 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -65 | 97.7 | 168.6 | 41.2 | 0 | 0 | 0 | 0 | 109.3 | P15 K19 | P15-T17 PolarHBondContact O-N 3.1Å; P15-T17 VanDerWaalsContact O-N 3.1Å; T17-K19 PolarHBondContact O-N 3.21Å |
| 18 | R | 62.5 | Low | 63.2 | Low | 236 Ų | 236 | 172 Ų | 172 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | trans | -67.6 | 111.7 | 169.5 | -78.5 | -177.4 | 173.2 | -123.3 | -0.3 | 108.4 | T16 | T16-R18 PolarHBondContact O-N 3.35Š|
| 19 | K | 68.2 | Low | 62.4 | Low | 197 Ų | 197 | 166 Ų | 166 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 131.3 | 172.5 | -72.3 | -170.4 | 176.6 | -176.5 | 0 | 109.6 | T17 R21 | T17-K19 PolarHBondContact O-N 3.21Å; K19-R21 PolarHBondContact O-N 2.97Å |
| 20 | P | 60 | Low | 61.5 | Low | 124 Ų | 124 | 166.4 Ų | 166.4 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63 | 129.1 | 175.6 | 22.7 | -29.4 | 0 | 0 | 0 | 109.7 | | |
| 21 | R | 64.1 | Low | 60.6 | Low | 236 Ų | 236 | 172.7 Ų | 172.7 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63 | 135.7 | 176 | -92.4 | -177 | 166.1 | -152.3 | -2.7 | 109.5 | K19 T23 | K19-R21 PolarHBondContact O-N 2.97Å; R21-T23 PolarHBondContact O-N 3.14Å |
| 22 | P | 61.1 | Low | 59.8 | Low | 126 Ų | 126 | 172.1 Ų | 172.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 124.2 | 177.8 | 22.2 | -30 | 0 | 0 | 0 | 110.2 | R24 | P22-R24 PolarHBondContact O-N 3.22Å; P22-R24 VanDerWaalsContact O-N 3.14Å |
| 23 | T | 61.5 | Low | 59.1 | Low | 137 Ų | 137 | 168.7 Ų | 168.7 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -67.4 | 107.7 | 173.5 | 32.2 | 0 | 0 | 0 | 0 | 108.6 | R21 R25 | R21-T23 PolarHBondContact O-N 3.14Å; T23-R25 PolarHBondContact O-N 2.9Å |
| 24 | R | 59.6 | Low | 58.6 | Low | 210 Ų | 210 | 168.4 Ų | 168.4 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -65.8 | 98.2 | 176.9 | -163.5 | 175 | -171.3 | -118.5 | 5.3 | 108.7 | P22 W26 | P22-R24 PolarHBondContact O-N 3.22Å; P22-R24 VanDerWaalsContact O-N 3.14Å; R24-W26 PolarHBondContact O-N 2.9Å |
| 25 | R | 56.3 | Low | 57.7 | Low | 199 Ų | 199 | 165.8 Ų | 165.8 | 75% | 0.751 | 80% | 0.804 | S | S | * | * | | | trans | -61 | 104.2 | 176.9 | -152.1 | 176.1 | -154.4 | -105.4 | 3.6 | 108.5 | T23 Y27 | T23-R25 PolarHBondContact O-N 2.9Å; R25-Y27 PolarHBondContact O-N 3.19Å |
| 26 | W | 55.8 | Low | 57 | Low | 209 Ų | 209 | 167.1 Ų | 167.1 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | trans | -73.6 | 105.3 | 170.7 | -98.6 | 70 | 0 | 0 | 0 | 107.9 | R24 | R24-W26 PolarHBondContact O-N 2.9Š|
| 27 | Y | 59.5 | Low | 56.2 | Low | 168 Ų | 168 | 171.3 Ų | 171.3 | 66% | 0.659 | 81% | 0.811 | S | S | * | * | | | trans | -65.2 | 126.8 | 167.3 | -72 | -85.2 | 0 | 0 | 0 | 108.5 | R25 T29 | R25-Y27 PolarHBondContact O-N 3.19Å; Y27-T29 PolarHBondContact O-N 3Å |
| 28 | P | 54 | Low | 55.4 | Low | 111 Ų | 111 | 174.8 Ų | 174.8 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | | | trans | -69.3 | 97.1 | 173.7 | 27.3 | -31 | 0 | 0 | 0 | 108.1 | T30 | P28-T30 VanDerWaalsContact C-N 3.32Å; P28-T30 PolarHBondContact O-N 2.82Å |
| 29 | T | 53.2 | Low | 54.6 | Low | 115 Ų | 115 | 173.7 Ų | 173.7 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | trans | -62.4 | 99.6 | 164.8 | 38.2 | 0 | 0 | 0 | 0 | 107.6 | Y27 R31 | Y27-T29 PolarHBondContact O-N 3Å; T29-R31 PolarHBondContact O-N 2.88Å |
| 30 | T | 48.6 | Very low | 53.6 | Low | 132 Ų | 132 | 172.6 Ų | 172.6 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -64.4 | 84.4 | 171.2 | 46.2 | 0 | 0 | 0 | 0 | 108.9 | P28 K32 | P28-T30 VanDerWaalsContact C-N 3.32Å; P28-T30 PolarHBondContact O-N 2.82Å; T30-K32 PolarHBondContact O-N 3.15Å; T30-K32 VanDerWaalsContact O-N 3.15Å |
| 31 | R | 50.9 | Low | 53 | Low | 229 Ų | 229 | 172.1 Ų | 172.1 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -67.8 | 110.6 | 165.7 | -74.5 | -177.3 | 176.7 | -114.9 | -0.3 | 106.7 | T29 | T29-R31 PolarHBondContact O-N 2.88Š|
| 32 | K | 51.6 | Low | 52.2 | Low | 196 Ų | 196 | 165.6 Ų | 165.6 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 135.2 | 172.6 | -76.1 | -174.2 | 176.4 | 177.7 | 0 | 109.1 | T30 R34 | T30-K32 PolarHBondContact O-N 3.15Å; T30-K32 VanDerWaalsContact O-N 3.15Å; K32-R34 PolarHBondContact O-N 3.4Å; K32-R34 VanDerWaalsContact O-N 3.1Å |
| 33 | P | 50.7 | Low | 51.4 | Low | 125 Ų | 125 | 166.1 Ų | 166.1 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 117.9 | 179.1 | 22.9 | -30.3 | 0 | 0 | 0 | 109 | | |
| 34 | R | 53.3 | Low | 50.6 | Low | 234 Ų | 234 | 170.2 Ų | 170.2 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 135.9 | 169.1 | -111.5 | -179.4 | 165.9 | -148.8 | -2.8 | 107.7 | K32 T36 | K32-R34 PolarHBondContact O-N 3.4Å; K32-R34 VanDerWaalsContact O-N 3.1Å; R34-T36 PolarHBondContact O-N 3.22Å |
| 35 | P | 49.6 | Very low | 50 | Low | 122 Ų | 122 | 169.4 Ų | 169.4 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 126.8 | 179.6 | 20.7 | -31.3 | 0 | 0 | 0 | 110 | R37 | P35-R37 PolarHBondContact O-N 3.37Š|
| 36 | T | 49.1 | Very low | 49.6 | Very low | 140 Ų | 140 | 166 Ų | 166 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | -59.8 | 105.5 | 175.5 | 31.8 | 0 | 0 | 0 | 0 | 108.3 | R34 R38 | R34-T36 PolarHBondContact O-N 3.22Å; T36-R38 PolarHBondContact O-N 3.1Å |
| 37 | R | 48.1 | Very low | 49.3 | Very low | 219 Ų | 219 | 167 Ų | 167 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | | | trans | -57.2 | 114.1 | 170.1 | -157.4 | 175.8 | -171.4 | -124.6 | 3.7 | 106.2 | P35 W39 | P35-R37 PolarHBondContact O-N 3.37Å; R37-W39 PolarHBondContact O-N 2.97Å |
| 38 | R | 45 | Very low | 48.5 | Very low | 205 Ų | 205 | 164.9 Ų | 164.9 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | | | trans | -58 | 99.9 | 176.4 | -155 | 177.6 | -155.5 | -107.7 | 4.3 | 106.8 | T36 Y40 | T36-R38 PolarHBondContact O-N 3.1Å; R38-Y40 PolarHBondContact O-N 3.45Å; R38-Y40 VanDerWaalsContact O-N 3.12Å |
| 39 | W | 47.2 | Very low | 48.1 | Very low | 213 Ų | 213 | 166 Ų | 166 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | | | trans | -70.6 | 106.4 | 170.9 | -89.9 | 71.8 | 0 | 0 | 0 | 105.8 | R37 | R37-W39 PolarHBondContact O-N 2.97Š|
| 40 | Y | 46.5 | Very low | 47.7 | Very low | 174 Ų | 174 | 170.5 Ų | 170.5 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | | | trans | -57.2 | 132.1 | 160.9 | -76.8 | -92.8 | 0 | 0 | 0 | 107 | R38 T42 | R38-Y40 PolarHBondContact O-N 3.45Å; R38-Y40 VanDerWaalsContact O-N 3.12Å; Y40-T42 VanDerWaalsContact C-N 3.29Å; Y40-T42 PolarHBondContact O-N 3.07Å |
| 41 | P | 47.5 | Very low | 47.4 | Very low | 115 Ų | 115 | 173.7 Ų | 173.7 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | | | trans | -66.7 | 93.9 | 177 | 27.3 | -32 | 0 | 0 | 0 | 107.7 | T43 | P41-T43 VanDerWaalsContact C-N 3.33Å; P41-T43 PolarHBondContact O-N 3.45Å |
| 42 | T | 46.7 | Very low | 47.1 | Very low | 99 Ų | 99 | 172.6 Ų | 172.6 | 61% | 0.607 | 80% | 0.8 | S | S | * | * | | | trans | -61.7 | 106.9 | 157.4 | 38.4 | 0 | 0 | 0 | 0 | 105.7 | Y40 R44 | Y40-T42 VanDerWaalsContact C-N 3.29Å; Y40-T42 PolarHBondContact O-N 3.07Å; T42-R44 PolarHBondContact O-N 3Å |
| 43 | T | 43.9 | Very low | 46.7 | Very low | 136 Ų | 136 | 171.6 Ų | 171.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -57.4 | 80 | 170.1 | 44.7 | 0 | 0 | 0 | 0 | 109 | P41 K45 | P41-T43 VanDerWaalsContact C-N 3.33Å; P41-T43 PolarHBondContact O-N 3.45Å; T43-K45 PolarHBondContact O-N 3.5Å |
| 44 | R | 45.9 | Very low | 46.3 | Very low | 223 Ų | 223 | 171 Ų | 171 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | | | trans | -72.6 | 113.7 | 164.5 | -75.6 | -175 | 176 | -122.5 | -1.8 | 105.7 | T42 | T42-R44 PolarHBondContact O-N 3Š|
| 45 | K | 46.8 | Very low | 45.9 | Very low | 194 Ų | 194 | 165.7 Ų | 165.7 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -43.3 | 132.5 | 171.2 | -72.2 | -171.1 | 175.7 | -175.3 | 0 | 108.9 | T43 R47 | T43-K45 PolarHBondContact O-N 3.5Å; K45-R47 PolarHBondContact O-N 3.49Å |
| 46 | P | 46.7 | Very low | 45.6 | Very low | 126 Ų | 126 | 166.2 Ų | 166.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59 | 116.3 | -177.2 | 22 | -30.5 | 0 | 0 | 0 | 108.8 | | |
| 47 | R | 49.5 | Very low | 45.4 | Very low | 232 Ų | 232 | 170.9 Ų | 170.9 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 136.8 | 163.8 | -97.9 | -176.4 | 168.4 | -130.4 | -1.6 | 107 | K45 T49 | K45-R47 PolarHBondContact O-N 3.49Å; R47-T49 PolarHBondContact O-N 3.04Å; R47-T49 VanDerWaalsContact O-N 3.15Å |
| 48 | P | 44.5 | Very low | 45.1 | Very low | 122 Ų | 122 | 169.8 Ų | 169.8 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 124.9 | -176.2 | 18.4 | -29.5 | 0 | 0 | 0 | 109.8 | R50 | P48-R50 PolarHBondContact O-N 3.36Š|
| 49 | T | 45.6 | Very low | 45.1 | Very low | 135 Ų | 135 | 166.1 Ų | 166.1 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | | | trans | -55.2 | 106.1 | 178.2 | 39.2 | 0 | 0 | 0 | 0 | 109.1 | R47 R51 | R47-T49 PolarHBondContact O-N 3.04Å; R47-T49 VanDerWaalsContact O-N 3.15Å; T49-R51 PolarHBondContact O-N 3.14Å |
| 50 | R | 43.7 | Very low | 45.1 | Very low | 210 Ų | 210 | 167.2 Ų | 167.2 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | trans | -62.1 | 107 | 166.4 | -162.3 | 174.9 | -171.1 | -109.6 | 4.9 | 106 | P48 W52 | P48-R50 PolarHBondContact O-N 3.36Å; R50-W52 PolarHBondContact O-N 3.26Å |
| 51 | R | 43.4 | Very low | 44.9 | Very low | 198 Ų | 198 | 164.8 Ų | 164.8 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | trans | -54.9 | 96.1 | 179.8 | -157.9 | 178.9 | -150.1 | -109.9 | 4.8 | 108.5 | T49 Y53 | T49-R51 PolarHBondContact O-N 3.14Å; R51-Y53 PolarHBondContact O-N 3.37Å |
| 52 | W | 43.2 | Very low | 44.7 | Very low | 207 Ų | 207 | 165.9 Ų | 165.9 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -80.3 | 111.5 | 168.3 | -89.2 | 75.5 | 0 | 0 | 0 | 106.5 | R50 | R50-W52 PolarHBondContact O-N 3.26Š|
| 53 | Y | 44.3 | Very low | 44.6 | Very low | 174 Ų | 174 | 171.2 Ų | 171.2 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | | | trans | -54.6 | 135.9 | 173.5 | -76.3 | -89.5 | 0 | 0 | 0 | 109.8 | R51 T55 | R51-Y53 PolarHBondContact O-N 3.37Å; Y53-T55 PolarHBondContact O-N 3.1Å |
| 54 | P | 42.4 | Very low | 44.4 | Very low | 112 Ų | 112 | 174 Ų | 174 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -67.5 | 103.9 | -177.3 | 27.1 | -32.6 | 0 | 0 | 0 | 109 | T56 | P54-T56 PolarHBondContact O-N 3.47Å; P54-T56 VanDerWaalsContact O-N 3.13Å |
| 55 | T | 45.1 | Very low | 44.4 | Very low | 124 Ų | 124 | 173.4 Ų | 173.4 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | | | trans | -75.1 | 101.6 | 161.1 | 15.6 | 0 | 0 | 0 | 0 | 106.8 | Y53 R57 | Y53-T55 PolarHBondContact O-N 3.1Å; T55-R57 VanDerWaalsContact C-N 3.29Å; T55-R57 PolarHBondContact O-N 3.42Å |
| 56 | T | 42.1 | Very low | 44.2 | Very low | 133 Ų | 133 | 172.1 Ų | 172.1 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -60.2 | 82.5 | 175.7 | 40 | 0 | 0 | 0 | 0 | 110.9 | P54 K58 | P54-T56 PolarHBondContact O-N 3.47Å; P54-T56 VanDerWaalsContact O-N 3.13Å; T56-K58 PolarHBondContact O-N 2.94Å |
| 57 | R | 44.6 | Very low | 44.1 | Very low | 237 Ų | 237 | 171.6 Ų | 171.6 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | | | trans | -84.9 | 108.6 | 161 | -77.6 | -174.8 | 176.9 | -105.9 | -0.2 | 107.8 | T55 | T55-R57 VanDerWaalsContact C-N 3.29Å; T55-R57 PolarHBondContact O-N 3.42Å |
| 58 | K | 43.2 | Very low | 44 | Very low | 197 Ų | 197 | 166.5 Ų | 166.5 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | -42.9 | 135.4 | 176.2 | -75.9 | -172.4 | 174.2 | -176.5 | 0 | 111 | T56 R60 | T56-K58 PolarHBondContact O-N 2.94Å; K58-R60 PolarHBondContact O-N 2.79Å |
| 59 | P | 44.2 | Very low | 43.9 | Very low | 127 Ų | 127 | 167.1 Ų | 167.1 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 119.7 | 180 | 25 | -31.4 | 0 | 0 | 0 | 109.7 | | |
| 60 | R | 46.4 | Very low | 43.9 | Very low | 237 Ų | 237 | 172 Ų | 172 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 137.8 | 164.2 | -103.5 | -175.7 | 166.8 | -134.8 | -1.6 | 108.5 | K58 | K58-R60 PolarHBondContact O-N 2.79Š|
| 61 | P | 43.7 | Very low | 44 | Very low | 122 Ų | 122 | 171.4 Ų | 171.4 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59 | 138.2 | -169.9 | 19 | -29.7 | 0 | 0 | 0 | 113 | R63 | P61-R63 PolarHBondContact O-N 3.21Š|
| 62 | T | 43 | Very low | 44.2 | Very low | 138 Ų | 138 | 168 Ų | 168 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | | | trans | -59.5 | 109.8 | 180 | 33.4 | 0 | 0 | 0 | 0 | 111.3 | R64 | T62-R64 PolarHBondContact O-N 3.39Š|
| 63 | R | 43.4 | Very low | 44.4 | Very low | 211 Ų | 211 | 169.6 Ų | 169.6 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | | | trans | -76 | 96.4 | 166.1 | -159.4 | 172 | -172.4 | -109.9 | 2.9 | 108.2 | P61 W65 | P61-R63 PolarHBondContact O-N 3.21Å; R63-W65 PolarHBondContact O-N 3.4Å |
| 64 | R | 41.2 | Very low | 44.5 | Very low | 194 Ų | 194 | 167.2 Ų | 167.2 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | | | trans | -48.8 | 102.4 | 175 | -152.8 | 179.5 | -144.5 | -107.5 | 1.9 | 109.9 | T62 Y66 | T62-R64 PolarHBondContact O-N 3.39Å; R64-Y66 PolarHBondContact NH1-OH 2.97Å |
| 65 | W | 44.9 | Very low | 44.8 | Very low | 211 Ų | 211 | 168.6 Ų | 168.6 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | | | trans | -89.2 | 109.5 | 169.7 | -98.2 | 65.2 | 0 | 0 | 0 | 107.8 | R63 | R63-W65 PolarHBondContact O-N 3.4Š|
| 66 | Y | 43.5 | Very low | 44.6 | Very low | 168 Ų | 168 | 173.9 Ų | 173.9 | 66% | 0.659 | 82% | 0.823 | S | S | * | * | | | trans | -62.1 | 135.2 | 172 | -77.6 | -87.8 | 0 | 0 | 0 | 110 | R64 T68 | R64-Y66 PolarHBondContact NH1-OH 2.97Å; Y66-T68 PolarHBondContact O-N 3.11Å; Y66-T68 VanDerWaalsContact O-N 3.11Å |
| 67 | P | 44.1 | Very low | 44.6 | Very low | 115 Ų | 115 | 178.9 Ų | 178.9 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | | | trans | -75.3 | 102.8 | -178.2 | 29.7 | -32 | 0 | 0 | 0 | 109.4 | T69 | P67-T69 PolarHBondContact O-N 3.33Š|
| 68 | T | 47.3 | Very low | 44.7 | Very low | 124 Ų | 124 | 173 Ų | 173 | 76% | 0.761 | 82% | 0.822 | S | S | * | * | | | trans | -77.2 | 103.4 | 164.3 | 21.2 | 0 | 0 | 0 | 0 | 108.3 | Y66 R70 | Y66-T68 PolarHBondContact O-N 3.11Å; Y66-T68 VanDerWaalsContact O-N 3.11Å; T68-R70 PolarHBondContact O-N 3.03Å |
| 69 | T | 43.3 | Very low | 44.6 | Very low | 135 Ų | 135 | 168.1 Ų | 168.1 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | | | trans | -59.6 | 92.9 | 175.2 | 37.4 | 0 | 0 | 0 | 0 | 111 | P67 K71 | P67-T69 PolarHBondContact O-N 3.33Å; T69-K71 PolarHBondContact O-N 3.06Å |
| 70 | R | 45.6 | Very low | 44.6 | Very low | 237 Ų | 237 | 167.9 Ų | 167.9 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | | | trans | -82.2 | 109.1 | 166.7 | -77.8 | -175.3 | 177.4 | -100.4 | -0.2 | 109.1 | T68 | T68-R70 PolarHBondContact O-N 3.03Š|
| 71 | K | 45.3 | Very low | 44.5 | Very low | 199 Ų | 199 | 163 Ų | 163 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 134.9 | 171.9 | -74.2 | -170.1 | 175.2 | -175.9 | 0 | 110.7 | T69 R73 | T69-K71 PolarHBondContact O-N 3.06Å; K71-R73 PolarHBondContact O-N 2.82Å |
| 72 | P | 46.6 | Very low | 44.5 | Very low | 127 Ų | 127 | 163.7 Ų | 163.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 123.7 | -178.4 | 26.2 | -31.4 | 0 | 0 | 0 | 110.8 | | |
| 73 | R | 48.6 | Very low | 44.5 | Very low | 239 Ų | 239 | 167.9 Ų | 167.9 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 137.4 | 170.5 | -112.5 | -178.2 | 176.2 | -124.2 | 1.4 | 109.4 | K71 T75 | K71-R73 PolarHBondContact O-N 2.82Å; R73-T75 PolarHBondContact O-N 3.02Å |
| 74 | P | 46 | Very low | 44.3 | Very low | 124 Ų | 124 | 160.2 Ų | 160.2 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 132.4 | -173.4 | 24.2 | -33.8 | 0 | 0 | 0 | 112.7 | R76 | P74-R76 PolarHBondContact O-N 3Š|
| 75 | T | 47.6 | Very low | 44.4 | Very low | 141 Ų | 141 | 158.7 Ų | 158.7 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | | | trans | -68.5 | 113.4 | -177.6 | -20.3 | 0 | 0 | 0 | 0 | 110.1 | R73 R77 | R73-T75 PolarHBondContact O-N 3.02Å; T75-R77 PolarHBondContact O-N 3.29Å |
| 76 | R | 41.4 | Very low | 44.5 | Very low | 235 Ų | 235 | 159 Ų | 159 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | -68.3 | 105.8 | 175.2 | -148.8 | 176.2 | -168.5 | -97 | 4.3 | 108.9 | P74 S78 | P74-R76 PolarHBondContact O-N 3Å; R76-S78 PolarHBondContact O-N 2.7Å; R76-S78 PolarHBondContact O-OG 3.38Å |
| 77 | R | 42 | Very low | 44.6 | Very low | 239 Ų | 239 | 156.4 Ų | 156.4 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | | | trans | -53.3 | 108.6 | 175.2 | -170.2 | -178.4 | -107.9 | -110.1 | 4.7 | 108.5 | T75 | T75-R77 PolarHBondContact O-N 3.29Š|
| 78 | S | 46.2 | Very low | 44.8 | Very low | 112 Ų | 112 | 160 Ų | 160 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | | | trans | -92.7 | 109.3 | 175.3 | -54.7 | 0 | 0 | 0 | 0 | 107 | R76 | R76-S78 PolarHBondContact O-N 2.7Å; R76-S78 PolarHBondContact O-OG 3.38Å |
| 79 | S | 41.7 | Very low | 44.7 | Very low | 96 Ų | 96 | 164.4 Ų | 164.4 | 67% | 0.671 | 82% | 0.818 | S | S | * | * | | | trans | -57.5 | 142.3 | 176 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | T81 | S79-T81 PolarHBondContact O-N 3.44Å; S79-T81 VanDerWaalsContact O-N 3.13Å |
| 80 | P | 45.1 | Very low | 44.7 | Very low | 122 Ų | 122 | 167.4 Ų | 167.4 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | | | trans | -74.2 | 105.9 | -176.7 | 29.3 | -31.2 | 0 | 0 | 0 | 109.3 | T82 | P80-T82 PolarHBondContact O-N 3.4Š|
| 81 | T | 44.1 | Very low | 44.9 | Very low | 135 Ų | 135 | 166.8 Ų | 166.8 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | | | trans | -80.6 | 105.8 | 163.9 | -19.4 | 0 | 0 | 0 | 0 | 107 | S79 R83 | S79-T81 PolarHBondContact O-N 3.44Å; S79-T81 VanDerWaalsContact O-N 3.13Å; T81-R83 VanDerWaalsContact C-N 3.3Å; T81-R83 PolarHBondContact O-N 3.37Å |
| 82 | T | 43 | Very low | 44.9 | Very low | 136 Ų | 136 | 165.9 Ų | 165.9 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -55.3 | 92.2 | 168.9 | -48.7 | 0 | 0 | 0 | 0 | 108.4 | P80 G84 | P80-T82 PolarHBondContact O-N 3.4Å; T82-G84 VanDerWaalsContact C-N 3.33Å; T82-G84 PolarHBondContact O-N 3.19Å; T82-G84 VanDerWaalsContact O-N 3.1Å |
| 83 | R | 43 | Very low | 45.1 | Very low | 225 Ų | 225 | 165.3 Ų | 165.3 | 85% | 0.849 | 80% | 0.801 | S | S | * | * | | | trans | -80.6 | 94.1 | 170.8 | -171.4 | -179.9 | -90.1 | -140.7 | -3 | 105.8 | T81 | T81-R83 VanDerWaalsContact C-N 3.3Å; T81-R83 PolarHBondContact O-N 3.37Å |
| 84 | G | 40.5 | Very low | 45.1 | Very low | 50 Ų | 50 | 160.1 Ų | 160.1 | 52% | 0.515 | 80% | 0.796 | S | S | . | * | | | trans | -46.9 | 157 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T82 R86 | T82-G84 VanDerWaalsContact C-N 3.33Å; T82-G84 PolarHBondContact O-N 3.19Å; T82-G84 VanDerWaalsContact O-N 3.1Å; G84-R86 PolarHBondContact O-N 3.05Å; G84-R86 VanDerWaalsContact O-N 3.13Å |
| 85 | D | 43.2 | Very low | 45.3 | Very low | 162 Ų | 162 | 160.3 Ų | 160.3 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | | | trans | -39.9 | 110.2 | -168.9 | -55.8 | -68.2 | 0 | 0 | 0 | 112.9 | P87 | D85-P87 WeakPolarHBondContact O-CD 3.32Š|
| 86 | R | 45.3 | Very low | 45.4 | Very low | 217 Ų | 217 | 164.6 Ų | 164.6 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | | | trans | -77.6 | 115.6 | 168.8 | -168.8 | 178 | -170.9 | 172.6 | 3.3 | 106.3 | G84 E88 | G84-R86 PolarHBondContact O-N 3.05Å; G84-R86 VanDerWaalsContact O-N 3.13Å; R86-E88 PolarHBondContact O-N 3.48Å |
| 87 | P | 47 | Very low | 46 | Very low | 114 Ų | 114 | 162.6 Ų | 162.6 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | trans | -59.3 | 134.1 | -174 | 21.3 | -30.7 | 0 | 0 | 0 | 109.8 | D85 R89 | D85-P87 WeakPolarHBondContact O-CD 3.32Å; P87-R89 PolarHBondContact O-N 2.99Å |
| 88 | E | 48.5 | Very low | 46.5 | Very low | 192 Ų | 192 | 157 Ų | 157 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | trans | -50.4 | 105.8 | -179.9 | -172.1 | 156.9 | -165.4 | 0 | 0 | 109.5 | R86 R90 | R86-E88 PolarHBondContact O-N 3.48Å; E88-R90 VanDerWaalsContact C-N 3.26Å; E88-R90 PolarHBondContact O-N 3.27Å |
| 89 | R | 43.9 | Very low | 46.8 | Very low | 216 Ų | 216 | 162.6 Ų | 162.6 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | trans | -65.5 | 93.1 | 177.2 | -171.7 | -178.5 | -170.4 | -79.9 | 2.7 | 107.1 | P87 R91 | P87-R89 PolarHBondContact O-N 2.99Å; R89-R91 PolarHBondContact O-N 3.05Å |
| 90 | R | 43.5 | Very low | 47.2 | Very low | 198 Ų | 198 | 163.8 Ų | 163.8 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | | | trans | -40.6 | 104.9 | 169 | -116.6 | 179 | 177.3 | -94.1 | 1 | 107.9 | E88 Y92 | E88-R90 VanDerWaalsContact C-N 3.26Å; E88-R90 PolarHBondContact O-N 3.27Å; R90-Y92 PolarHBondContact O-N 3.05Å; R90-Y92 VanDerWaalsContact O-N 3.15Å |
| 91 | R | 50 | Low | 47.5 | Very low | 224 Ų | 224 | 163.7 Ų | 163.7 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | -82.4 | 94 | 177.3 | -159.6 | -173.4 | -64.8 | -99.1 | 4.7 | 105 | R89 | R89-R91 PolarHBondContact O-N 3.05Š|
| 92 | Y | 45.3 | Very low | 47.9 | Very low | 180 Ų | 180 | 167.3 Ų | 167.3 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -53.3 | 130.2 | 172.6 | -76.5 | -91 | 0 | 0 | 0 | 109 | R90 T94 | R90-Y92 PolarHBondContact O-N 3.05Å; R90-Y92 VanDerWaalsContact O-N 3.15Å; Y92-T94 PolarHBondContact O-N 3.37Å |
| 93 | P | 50.3 | Low | 48.4 | Very low | 115 Ų | 115 | 170.6 Ų | 170.6 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -66.2 | 109.7 | 178.3 | 26.2 | -31.1 | 0 | 0 | 0 | 107.9 | T95 | P93-T95 PolarHBondContact O-N 3.13Š|
| 94 | T | 49.4 | Very low | 48.8 | Very low | 129 Ų | 129 | 164.7 Ų | 164.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -73.3 | 101.7 | 169.5 | -28.6 | 0 | 0 | 0 | 0 | 106.2 | Y92 R96 | Y92-T94 PolarHBondContact O-N 3.37Å; T94-R96 PolarHBondContact O-N 3.2Å |
| 95 | T | 50.8 | Low | 49.5 | Very low | 128 Ų | 128 | 168 Ų | 168 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -60.9 | 89.8 | 168.7 | 36.3 | 0 | 0 | 0 | 0 | 108.1 | P93 K97 | P93-T95 PolarHBondContact O-N 3.13Å; T95-K97 PolarHBondContact O-N 3.32Å |
| 96 | R | 48.1 | Very low | 50.1 | Low | 231 Ų | 231 | 168.3 Ų | 168.3 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | | | trans | -67.3 | 104 | 167 | -74.9 | -177.5 | 177.5 | -103.6 | -0.4 | 106.2 | T94 | T94-R96 PolarHBondContact O-N 3.2Š|
| 97 | K | 55.1 | Low | 50.8 | Low | 194 Ų | 194 | 162.9 Ų | 162.9 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 133.9 | 169 | -73.6 | -154.5 | 176.3 | -170.8 | 0 | 108.7 | T95 R99 | T95-K97 PolarHBondContact O-N 3.32Å; K97-R99 PolarHBondContact O-N 2.83Å |
| 98 | P | 52.2 | Low | 51.6 | Low | 120 Ų | 120 | 162.4 Ų | 162.4 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 129.5 | 178.1 | 21.6 | -29.7 | 0 | 0 | 0 | 109.2 | | |
| 99 | R | 52.8 | Low | 52.5 | Low | 230 Ų | 230 | 158.7 Ų | 158.7 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.2 | 169.3 | -83.8 | 179.8 | 163.3 | -172.3 | -6.3 | 107.6 | K97 T101 | K97-R99 PolarHBondContact O-N 2.83Å; R99-T101 PolarHBondContact O-N 3.03Å |
| 100 | P | 49.9 | Very low | 53.7 | Low | 121 Ų | 121 | 153.2 Ų | 153.2 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | | | trans | -60.1 | 114 | 175.3 | 23.1 | -30.1 | 0 | 0 | 0 | 108.5 | R102 | P100-R102 PolarHBondContact O-N 3.13Š|
| 101 | T | 51.6 | Low | 55.1 | Low | 121 Ų | 121 | 148.2 Ų | 148.2 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | | | trans | -59.4 | 129.8 | 170.7 | -44 | 0 | 0 | 0 | 0 | 106.8 | R99 R103 | R99-T101 PolarHBondContact O-N 3.03Å; T101-R103 PolarHBondContact O-N 3.1Å |
| 102 | R | 52.5 | Low | 56.4 | Low | 210 Ų | 210 | 142.1 Ų | 142.1 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 35 | -177.4 | -66 | -174.9 | 176.3 | -102.3 | 4.6 | 114.6 | P100 | P100-R102 PolarHBondContact O-N 3.13Š|
| 103 | R | 54.1 | Low | 57.8 | Low | 206 Ų | 206 | 138.2 Ų | 138.2 | 78% | 0.777 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -20.7 | 174 | -150.3 | 173.1 | -162.1 | -108.6 | 0.5 | 112.3 | T101 | T101-R103 PolarHBondContact O-N 3.1Š|
| 104 | C | 50.6 | Low | 59.3 | Low | 101 Ų | 101 | 138 Ų | 138 | 68% | 0.682 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -80.3 | -25.1 | 176.5 | -66.8 | 0 | 0 | 0 | 0 | 113.9 | F106 N107 L108 | C104-F106 VanDerWaalsContact C-N 3.33Å; C104-F106 PolarHBondContact O-N 3.31Å; C104-N107 PolarHBondContact O-N 2.76Å; C104-L108 PolarHBondContact O-N 2.87Å |
| 105 | E | 54.7 | Low | 60.2 | Low | 118 Ų | 118 | 138.8 Ų | 138.8 | 55% | 0.551 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -62.1 | -40.9 | 178.1 | -69.5 | -81.6 | 150.1 | 0 | 0 | 111.4 | N107 L108 L109 | E105-N107 PolarHBondContact O-N 2.95Å; E105-L108 PolarHBondContact O-N 3.15Å; E105-L109 WeakPolarHBondContact O-CB 3.36Å; E105-L109 PolarHBondContact O-N 3.47Å |
| 106 | F | 57.1 | Low | 61 | Low | 170 Ų | 170 | 140.4 Ų | 140.4 | 75% | 0.746 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 179.6 | -102.9 | -83.8 | 0 | 0 | 0 | 113 | C104 L110 | C104-F106 VanDerWaalsContact C-N 3.33Å; C104-F106 PolarHBondContact O-N 3.31Å; F106-L110 WeakPolarHBondContact O-CB 3.41Å; F106-L110 PolarHBondContact O-N 2.87Å |
| 107 | N | 58.9 | Low | 61.6 | Low | 102 Ų | 102 | 135.9 Ų | 135.9 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -74.6 | -36.2 | 179.7 | -75.7 | -18.4 | 0 | 0 | 0 | 112.2 | C104 E105 L110 L111 | C104-N107 PolarHBondContact O-N 2.76Å; E105-N107 PolarHBondContact O-N 2.95Å; N107-L110 PolarHBondContact O-N 2.83Å; N107-L111 WeakPolarHBondContact O-CB 3.2Å; N107-L111 VanDerWaalsContact O-CG 3.31Å; N107-L111 WeakPolarHBondContact O-CG 3.31Å; N107-L111 PolarHBondContact O-N 3.13Å |
| 108 | L | 64.7 | Low | 61.9 | Low | 104 Ų | 104 | 132.8 Ų | 132.8 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -68.1 | -43.3 | 176.3 | -173.5 | 66 | 0 | 0 | 0 | 111.2 | C104 E105 L110 L111 I112 | C104-L108 PolarHBondContact O-N 2.87Å; E105-L108 PolarHBondContact O-N 3.15Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 PolarHBondContact O-N 3.12Å; L108-L111 PolarHBondContact O-N 3.23Å; L108-I112 HydrophobicContact CG-CD1 4.13Å; L108-I112 WeakPolarHBondContact O-CG1 3.36Å; L108-I112 PolarHBondContact O-N 3.04Å |
| 109 | L | 66.2 | Low | 62.5 | Low | 114 Ų | 114 | 133.6 Ų | 133.6 | 60% | 0.597 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -63.1 | -42.1 | 176.2 | -141.6 | 102.8 | 0 | 0 | 0 | 111.1 | E105 I112 V113 | E105-L109 WeakPolarHBondContact O-CB 3.36Å; E105-L109 PolarHBondContact O-N 3.47Å; L109-I112 PolarHBondContact O-N 2.97Å; L109-V113 VanDerWaalsContact O-CG2 3.28Å; L109-V113 WeakPolarHBondContact O-CG2 3.49Å; L109-V113 PolarHBondContact O-N 2.86Å; L109-V113 VanDerWaalsContact O-N 3.1Å |
| 110 | L | 70.3 | Confident | 63.1 | Low | 101 Ų | 101 | 127.9 Ų | 127.9 | 53% | 0.529 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.1 | -41.5 | 177.4 | -171.2 | 70.8 | 0 | 0 | 0 | 111.9 | F106 N107 L108 V113 I114 | F106-L110 WeakPolarHBondContact O-CB 3.41Å; F106-L110 PolarHBondContact O-N 2.87Å; N107-L110 PolarHBondContact O-N 2.83Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 PolarHBondContact O-N 3.12Å; L110-V113 PolarHBondContact O-N 3.4Å; L110-I114 HydrophobicContact CG-CD1 4.02Å; L110-I114 WeakPolarHBondContact O-CD1 3.28Å; L110-I114 VanDerWaalsContact O-CG1 3.29Å; L110-I114 WeakPolarHBondContact O-CG1 3.29Å; L110-I114 PolarHBondContact O-N 3.04Å; L110-I114 VanDerWaalsContact O-N 3.14Å |
| 111 | L | 73.4 | Confident | 63.9 | Low | 93 Ų | 93 | 128.3 Ų | 128.3 | 49% | 0.487 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -64.4 | -42.1 | 176.9 | -78.6 | 169 | 0 | 0 | 0 | 112.2 | N107 L108 V113 I114 H115 | N107-L111 WeakPolarHBondContact O-CB 3.2Å; N107-L111 VanDerWaalsContact O-CG 3.31Å; N107-L111 WeakPolarHBondContact O-CG 3.31Å; N107-L111 PolarHBondContact O-N 3.13Å; L108-L111 PolarHBondContact O-N 3.23Å; L111-V113 VanDerWaalsContact C-N 3.32Å; L111-V113 PolarHBondContact O-N 3.27Å; L111-I114 PolarHBondContact O-N 3.15Å; L111-H115 PolarHBondContact O-N 2.99Å; L111-H115 PolarHBondContact O-ND1 2.96Å |
| 112 | I | 76.2 | Confident | 64.7 | Low | 96 Ų | 96 | 128.8 Ų | 128.8 | 49% | 0.492 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -62.9 | -40.7 | 177.3 | -67.3 | 165.8 | 0 | 0 | 0 | 110.7 | L108 L109 I114 H115 C116 | L108-I112 HydrophobicContact CG-CD1 4.13Å; L108-I112 WeakPolarHBondContact O-CG1 3.36Å; L108-I112 PolarHBondContact O-N 3.04Å; L109-I112 PolarHBondContact O-N 2.97Å; I112-I114 VanDerWaalsContact C-N 3.29Å; I112-I114 PolarHBondContact O-N 2.81Å; I112-H115 PolarHBondContact O-N 2.97Å; I112-C116 PolarHBondContact O-N 2.73Å |
| 113 | V | 75.9 | Confident | 65.6 | Low | 99 Ų | 99 | 123 Ų | 123 | 60% | 0.6 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.8 | -27.3 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 112.8 | L109 L110 L111 | L109-V113 VanDerWaalsContact O-CG2 3.28Å; L109-V113 WeakPolarHBondContact O-CG2 3.49Å; L109-V113 PolarHBondContact O-N 2.86Å; L109-V113 VanDerWaalsContact O-N 3.1Å; L110-V113 PolarHBondContact O-N 3.4Å; L111-V113 VanDerWaalsContact C-N 3.32Å; L111-V113 PolarHBondContact O-N 3.27Å |
| 114 | I | 80.5 | Confident | 66.4 | Low | 110 Ų | 110 | 116.6 Ų | 116.6 | 56% | 0.564 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.6 | -26.2 | 178.6 | -67.1 | 165.9 | 0 | 0 | 0 | 112.2 | L110 L111 I112 | L110-I114 HydrophobicContact CG-CD1 4.02Å; L110-I114 WeakPolarHBondContact O-CD1 3.28Å; L110-I114 VanDerWaalsContact O-CG1 3.29Å; L110-I114 WeakPolarHBondContact O-CG1 3.29Å; L110-I114 PolarHBondContact O-N 3.04Å; L110-I114 VanDerWaalsContact O-N 3.14Å; L111-I114 PolarHBondContact O-N 3.15Å; I112-I114 VanDerWaalsContact C-N 3.29Å; I112-I114 PolarHBondContact O-N 2.81Å |
| 115 | H | 69.3 | Low | 67.8 | Low | 145 Ų | 145 | 117.9 Ų | 117.9 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -108.4 | 6.1 | -172.9 | -62.1 | 82 | 0 | 0 | 0 | 114.5 | L111 I112 | L111-H115 PolarHBondContact O-N 2.99Å; L111-H115 PolarHBondContact O-ND1 2.96Å; I112-H115 PolarHBondContact O-N 2.97Å |
| 116 | C | 65.9 | Low | 68.9 | Low | 163 Ų | 163 | 117.9 Ų | 117.9 | 100% | 1.101 | 63% | 0.625 | S | S | * | * | | | trans | -110.8 | 0 | 168.3 | -74.4 | 0 | 0 | 0 | 0 | 109.5 | I112 | I112-C116 PolarHBondContact O-N 2.73Š|