| 1 | M | 45.7 | Very low | 50 | Low | 229 Ų | 229 | 145.5 Ų | 145.5 | 100% | 1.128 | 85% | 0.845 | S | S | * | * | | | | 0 | 108.7 | 0 | -48.8 | -162.6 | -165.3 | 0 | 0 | 103.6 | | |
| 2 | D | 38.8 | Very low | 50.7 | Low | 151 Ų | 151 | 143.3 Ų | 143.3 | 81% | 0.807 | 84% | 0.835 | S | S | * | * | | | cis | -149 | 141.5 | 33.7 | -64.6 | -63.8 | 0 | 0 | 0 | 111.4 | | |
| 3 | L | 46.1 | Very low | 50.9 | Low | 168 Ų | 168 | 145.1 Ų | 145.1 | 88% | 0.88 | 84% | 0.836 | S | S | * | * | | | trans | -70 | 124.2 | 169.9 | -95.7 | 57.6 | 0 | 0 | 0 | 109.1 | | |
| 4 | M | 52.3 | Low | 50.7 | Low | 189 Ų | 189 | 140.3 Ų | 140.3 | 93% | 0.931 | 82% | 0.823 | S | S | * | * | | | trans | -103.4 | 99.6 | 161.1 | -171 | 64.5 | 73.1 | 0 | 0 | 108.9 | | |
| 5 | N | 43.8 | Very low | 50.7 | Low | 143 Ų | 143 | 137.3 Ų | 137.3 | 77% | 0.765 | 82% | 0.821 | S | S | * | * | | | trans | -89 | 124.2 | -179.1 | -172.8 | 86 | 0 | 0 | 0 | 110.8 | | |
| 6 | G | 57.8 | Low | 51 | Low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | | | trans | 33.8 | 119.2 | 147.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 7 | Q | 51.8 | Low | 51.4 | Low | 198 Ų | 198 | 136.6 Ų | 136.6 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | | | trans | -144 | 112.5 | 135.2 | -142.1 | -178.6 | -72.2 | 0 | 0 | 110.3 | | |
| 8 | A | 55.2 | Low | 51.9 | Low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | | | trans | -75.9 | 146.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 9 | S | 50 | Low | 51.9 | Low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -150.6 | 117 | 146.6 | -155.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 10 | S | 56.8 | Low | 52.3 | Low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | | | trans | -37.6 | 126.1 | 177.6 | 45.5 | 0 | 0 | 0 | 0 | 114.7 | T12 | S10-T12 PolarHBondContact O-N 3.01Š|
| 11 | V | 51.9 | Low | 52.4 | Low | 149 Ų | 149 | 137.4 Ų | 137.4 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | | | trans | -71.4 | 107.5 | 160.1 | 176.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 12 | T | 57.6 | Low | 53.1 | Low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | | | trans | -139.3 | 101.8 | 163.8 | -60.2 | 0 | 0 | 0 | 0 | 107.5 | S10 | S10-T12 PolarHBondContact O-N 3.01Š|
| 13 | I | 54.2 | Low | 54.2 | Low | 167 Ų | 167 | 127.8 Ų | 127.8 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | | | trans | -135.7 | 121.9 | 156.2 | -56 | -177.2 | 0 | 0 | 0 | 107.3 | | |
| 14 | A | 48 | Very low | 54.8 | Low | 78 Ų | 78 | 124.2 Ų | 124.2 | 65% | 0.645 | 77% | 0.765 | S | S | * | * | | | trans | -55.8 | 129.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T16 | A14-T16 PolarHBondContact O-N 2.69Å; A14-T16 VanDerWaalsContact O-N 3.15Å |
| 15 | A | 51.1 | Low | 55.1 | Low | 96 Ų | 96 | 123.5 Ų | 123.5 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | | | trans | -77 | 91.5 | 160 | 0 | 0 | 0 | 0 | 0 | 108.5 | V17 | A15-V17 PolarHBondContact O-N 3.04Å; A15-V17 VanDerWaalsContact O-N 3.14Å |
| 16 | T | 55.6 | Low | 55.9 | Low | 132 Ų | 132 | 122 Ų | 122 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -80.1 | 77.7 | 162.6 | 47.2 | 0 | 0 | 0 | 0 | 108.4 | A14 S18 | A14-T16 PolarHBondContact O-N 2.69Å; A14-T16 VanDerWaalsContact O-N 3.15Å; T16-S18 PolarHBondContact O-N 3.08Å |
| 17 | V | 57.7 | Low | 56 | Low | 130 Ų | 130 | 126.9 Ų | 126.9 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | | | trans | -86.6 | 90 | 161.4 | 179.9 | 0 | 0 | 0 | 0 | 106.6 | A15 E19 | A15-V17 PolarHBondContact O-N 3.04Å; A15-V17 VanDerWaalsContact O-N 3.14Å; V17-E19 PolarHBondContact O-N 2.99Å |
| 18 | S | 59.9 | Low | 56.4 | Low | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | -55.5 | 123.5 | 151 | 174.1 | 0 | 0 | 0 | 0 | 107 | T16 | T16-S18 PolarHBondContact O-N 3.08Š|
| 19 | E | 51.7 | Low | 56.7 | Low | 166 Ų | 166 | 127 Ų | 127 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | | 172.9 | 109.4 | 124.4 | -88.5 | 166.2 | 166.1 | 0 | 0 | 111 | V17 S21 | V17-E19 PolarHBondContact O-N 2.99Å; E19-S21 PolarHBondContact O-N 2.86Å; E19-S21 VanDerWaalsContact O-N 3.11Å |
| 20 | K | 59.9 | Low | 57.2 | Low | 186 Ų | 186 | 131 Ų | 131 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | | | trans | -0.3 | 92.7 | 153 | -173.9 | -179.2 | -171.1 | -76.1 | 0 | 115.4 | S22 | K20-S22 PolarHBondContact O-N 2.97Š|
| 21 | S | 54.4 | Low | 57.2 | Low | 115 Ų | 115 | 129.4 Ų | 129.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -89.5 | 87.9 | 161 | -67.6 | 0 | 0 | 0 | 0 | 109 | E19 S23 | E19-S21 PolarHBondContact O-N 2.86Å; E19-S21 VanDerWaalsContact O-N 3.11Å; S21-S23 PolarHBondContact O-N 3.14Å |
| 22 | S | 60 | Low | 57.3 | Low | 73 Ų | 73 | 127.9 Ų | 127.9 | 51% | 0.51 | 76% | 0.764 | S | S | . | * | | | trans | -81.3 | 89.6 | 165.6 | -173.5 | 0 | 0 | 0 | 0 | 107.5 | K20 S24 | K20-S22 PolarHBondContact O-N 2.97Å; S22-S24 VanDerWaalsContact C-N 3.32Å; S22-S24 PolarHBondContact O-N 3.29Å |
| 23 | S | 61.3 | Low | 57.6 | Low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -76.8 | 90.4 | 168.4 | -62.7 | 0 | 0 | 0 | 0 | 108.2 | S21 | S21-S23 PolarHBondContact O-N 3.14Š|
| 24 | S | 60.7 | Low | 57.8 | Low | 93 Ų | 93 | 130.3 Ų | 130.3 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | | | trans | -96 | 104.1 | 163.9 | -66.5 | 0 | 0 | 0 | 0 | 107.5 | S22 S26 | S22-S24 VanDerWaalsContact C-N 3.32Å; S22-S24 PolarHBondContact O-N 3.29Å; S24-S26 VanDerWaalsContact C-N 3.29Å; S24-S26 PolarHBondContact O-N 3.14Å |
| 25 | E | 58.1 | Low | 58.6 | Low | 173 Ų | 173 | 136.2 Ų | 136.2 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | | | trans | -64.4 | 92.4 | 166.4 | -30.9 | -90.3 | 110.7 | 0 | 0 | 106.8 | L27 | E25-L27 PolarHBondContact O-N 3Š|
| 26 | S | 60.4 | Low | 59.4 | Low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -76.9 | 110.9 | 172.9 | 53.9 | 0 | 0 | 0 | 0 | 108.2 | S24 S28 | S24-S26 VanDerWaalsContact C-N 3.29Å; S24-S26 PolarHBondContact O-N 3.14Å; S26-S28 PolarHBondContact O-N 3.07Å |
| 27 | L | 60.7 | Low | 60.1 | Low | 168 Ų | 168 | 138.3 Ų | 138.3 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | | | trans | -63 | 106.7 | 171.4 | -65.7 | 176.6 | 0 | 0 | 0 | 107.5 | E25 E29 | E25-L27 PolarHBondContact O-N 3Å; L27-E29 PolarHBondContact O-N 3.05Å |
| 28 | S | 58.8 | Low | 60.8 | Low | 112 Ų | 112 | 140.3 Ų | 140.3 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | trans | -55 | 107.8 | -178.8 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | S26 K30 | S26-S28 PolarHBondContact O-N 3.07Å; S28-K30 PolarHBondContact O-N 3.15Å; S28-K30 VanDerWaalsContact O-N 3.14Å |
| 29 | E | 61.7 | Low | 61.7 | Low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -74 | 94.1 | 171.2 | 179.3 | 159.3 | 75.8 | 0 | 0 | 109.6 | L27 | L27-E29 PolarHBondContact O-N 3.05Š|
| 30 | K | 60.8 | Low | 62.6 | Low | 198 Ų | 198 | 138.7 Ų | 138.7 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | -140.6 | 105.4 | 158.3 | -84.4 | -54.6 | -176.2 | -162.3 | 0 | 112.3 | S28 | S28-K30 PolarHBondContact O-N 3.15Å; S28-K30 VanDerWaalsContact O-N 3.14Å |
| 31 | G | 56.1 | Low | 63.2 | Low | 66 Ų | 66 | 134.1 Ų | 134.1 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 139.7 | 95.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 32 | S | 54.3 | Low | 64.1 | Low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | trans | 46.9 | 99.7 | 146.5 | 60.7 | 0 | 0 | 0 | 0 | 119.1 | L34 | S32-L34 PolarHBondContact O-N 2.92Š|
| 33 | E | 64.4 | Low | 64.3 | Low | 185 Ų | 185 | 139.2 Ų | 139.2 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | 20.3 | 73.1 | 131.1 | -159.5 | 174.8 | 173.5 | 0 | 0 | 118 | | |
| 34 | L | 58.5 | Low | 64.9 | Low | 152 Ų | 152 | 137.7 Ų | 137.7 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | -134.1 | 98.3 | 133.8 | -73.6 | 176.5 | 0 | 0 | 0 | 104.9 | S32 K36 | S32-L34 PolarHBondContact O-N 2.92Å; L34-K36 PolarHBondContact O-N 3.3Å |
| 35 | K | 65.4 | Low | 65 | Low | 202 Ų | 202 | 139.4 Ų | 139.4 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | | | trans | -65.6 | 70.9 | 176.1 | -72.2 | -167.1 | 175.3 | -178.8 | 0 | 110 | S37 | K35-S37 PolarHBondContact O-N 2.95Š|
| 36 | K | 66.9 | Low | 65 | Low | 158 Ų | 158 | 138.1 Ų | 138.1 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | | | trans | -72.8 | 82.8 | 154 | -71.8 | -178.3 | 173.5 | 179.9 | 0 | 105.4 | L34 F38 | L34-K36 PolarHBondContact O-N 3.3Å; K36-F38 HydrophobicContact CB-CD2 4.16Å; K36-F38 HydrophobicContact CB-CE2 3.56Å; K36-F38 HydrophobicContact CB-CZ 3.98Å; K36-F38 HydrophobicContact CD-CE2 4.33Å; K36-F38 HydrophobicContact CD-CZ 4.08Å; K36-F38 VanDerWaalsContact O-CD2 3.25Å; K36-F38 WeakPolarHBondContact O-CD2 3.25Å; K36-F38 PolarHBondContact O-N 3Å; K36-F38 VanDerWaalsContact O-N 3.08Å |
| 37 | S | 71.3 | Confident | 65.2 | Low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | | | trans | -68.5 | 102.3 | 166.1 | 52 | 0 | 0 | 0 | 0 | 106.5 | K35 | K35-S37 PolarHBondContact O-N 2.95Š|
| 38 | F | 71.7 | Confident | 65.1 | Low | 172 Ų | 172 | 136.1 Ų | 136.1 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | | | trans | -79.1 | 119.8 | 168.6 | -67.1 | -84 | 0 | 0 | 0 | 107.3 | K36 A40 | K36-F38 HydrophobicContact CB-CD2 4.16Å; K36-F38 HydrophobicContact CB-CE2 3.56Å; K36-F38 HydrophobicContact CB-CZ 3.98Å; K36-F38 HydrophobicContact CD-CE2 4.33Å; K36-F38 HydrophobicContact CD-CZ 4.08Å; K36-F38 VanDerWaalsContact O-CD2 3.25Å; K36-F38 WeakPolarHBondContact O-CD2 3.25Å; K36-F38 PolarHBondContact O-N 3Å; K36-F38 VanDerWaalsContact O-N 3.08Å; F38-A40 PolarHBondContact O-N 2.94Å; F38-A40 VanDerWaalsContact O-N 3.14Å |
| 39 | D | 78.8 | Confident | 65.8 | Low | 144 Ų | 144 | 133.6 Ų | 133.6 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | | | trans | -67.4 | 108.7 | 167.8 | -173.9 | 38 | 0 | 0 | 0 | 107.1 | V41 | D39-V41 PolarHBondContact O-N 3.28Š|
| 40 | A | 70.4 | Confident | 66.1 | Low | 84 Ų | 84 | 129.9 Ų | 129.9 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | | | trans | -74.7 | 82.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | F38 V42 | F38-A40 PolarHBondContact O-N 2.94Å; F38-A40 VanDerWaalsContact O-N 3.14Å; A40-V42 VanDerWaalsContact C-N 3.32Å; A40-V42 PolarHBondContact O-N 3.32Å |
| 41 | V | 71.8 | Confident | 66.9 | Low | 91 Ų | 91 | 127.6 Ų | 127.6 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | | | trans | -71.2 | 92.1 | 168.1 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | D39 F43 | D39-V41 PolarHBondContact O-N 3.28Å; V41-F43 HydrophobicContact CG1-CE1 4.46Å; V41-F43 HydrophobicContact CG1-CE2 4.23Å; V41-F43 HydrophobicContact CG1-CZ 4.14Å; V41-F43 PolarHBondContact O-N 2.55Å; V41-F43 VanDerWaalsContact O-N 3.15Å |
| 42 | V | 73.6 | Confident | 67.9 | Low | 119 Ų | 119 | 129.4 Ų | 129.4 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | | | trans | -72 | 106.2 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | A40 D44 | A40-V42 VanDerWaalsContact C-N 3.32Å; A40-V42 PolarHBondContact O-N 3.32Å; V42-D44 PolarHBondContact O-N 2.9Å; V42-D44 VanDerWaalsContact O-N 3.07Å |
| 43 | F | 65 | Low | 68.5 | Low | 176 Ų | 176 | 131.1 Ų | 131.1 | 77% | 0.772 | 68% | 0.677 | S | S | * | * | | | trans | -67.9 | 106.3 | 163 | -66.9 | -80.6 | 0 | 0 | 0 | 106.8 | V41 V45 | V41-F43 HydrophobicContact CG1-CE1 4.46Å; V41-F43 HydrophobicContact CG1-CE2 4.23Å; V41-F43 HydrophobicContact CG1-CZ 4.14Å; V41-F43 PolarHBondContact O-N 2.55Å; V41-F43 VanDerWaalsContact O-N 3.15Å; F43-V45 PolarHBondContact O-N 2.96Å |
| 44 | D | 73.2 | Confident | 68.9 | Low | 72 Ų | 72 | 124.6 Ų | 124.6 | 39% | 0.385 | 66% | 0.655 | S | S | . | * | | | trans | -66.2 | 102.1 | 176.5 | -165.2 | -8.6 | 0 | 0 | 0 | 107.4 | V42 L46 K47 | V42-D44 PolarHBondContact O-N 2.9Å; V42-D44 VanDerWaalsContact O-N 3.07Å; D44-L46 PolarHBondContact O-N 3.3Å; D44-L46 WeakPolarHBondContact OD1-CB 3.37Å; D44-L46 PolarHBondContact OD1-N 3.11Å; D44-K47 HydrophobicContact CB-CB 4Å; D44-K47 HydrophobicContact CB-CD 3.59Å; D44-K47 HydrophobicContact CB-CG 3.56Å; D44-K47 PolarHBondContact O-N 3.39Å; D44-K47 WeakPolarHBondContact OD2-CE 3.5Å; D44-K47 WeakPolarHBondContact OD2-CG 3.5Å |
| 45 | V | 64 | Low | 69.5 | Low | 129 Ų | 129 | 119.3 Ų | 119.3 | 78% | 0.782 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -19.3 | 178 | -180 | 0 | 0 | 0 | 0 | 110.5 | F43 | F43-V45 PolarHBondContact O-N 2.96Š|
| 46 | L | 57.9 | Low | 69.5 | Low | 146 Ų | 146 | 116 Ų | 116 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -0.2 | 179.7 | -55 | 176.1 | 0 | 0 | 0 | 114.4 | D44 V48 | D44-L46 PolarHBondContact O-N 3.3Å; D44-L46 WeakPolarHBondContact OD1-CB 3.37Å; D44-L46 PolarHBondContact OD1-N 3.11Å; L46-V48 PolarHBondContact O-N 3.46Å |
| 47 | K | 63.5 | Low | 69.5 | Low | 162 Ų | 162 | 112.1 Ų | 112.1 | 70% | 0.704 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -72.4 | -9.9 | 174.9 | -91.1 | 176.4 | -160.7 | -177 | 0 | 113.7 | D44 | D44-K47 HydrophobicContact CB-CB 4Å; D44-K47 HydrophobicContact CB-CD 3.59Å; D44-K47 HydrophobicContact CB-CG 3.56Å; D44-K47 PolarHBondContact O-N 3.39Å; D44-K47 WeakPolarHBondContact OD2-CE 3.5Å; D44-K47 WeakPolarHBondContact OD2-CG 3.5Å |
| 48 | V | 59.6 | Low | 69.2 | Low | 77 Ų | 77 | 110.6 Ų | 110.6 | 47% | 0.467 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -98.7 | 121.8 | 172.7 | -147.8 | 0 | 0 | 0 | 0 | 106.8 | L46 E52 | L46-V48 PolarHBondContact O-N 3.46Å; V48-E52 HydrophobicContact CG1-CB 3.87Å |
| 49 | T | 72.4 | Confident | 68.7 | Low | 58 Ų | 58 | 109 Ų | 109 | 36% | 0.356 | 60% | 0.595 | S | S | . | * | | | trans | -68.1 | 149.1 | 178.3 | 64.7 | 0 | 0 | 0 | 0 | 109.8 | E51 E52 Y53 | T49-E51 PolarHBondContact O-N 2.89Å; T49-E51 VanDerWaalsContact O-N 3.12Å; T49-E52 VanDerWaalsContact CB-OE2 3.31Å; T49-E52 WeakPolarHBondContact CB-OE2 3.31Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.39Å; T49-E52 PolarHBondContact N-OE2 3.39Å; T49-E52 PolarHBondContact O-N 3.28Å; T49-E52 PolarHBondContact OG1-N 3.13Å; T49-E52 PolarHBondContact OG1-OE2 2.94Å; T49-Y53 PolarHBondContact O-N 3.31Å |
| 50 | P | 69.1 | Low | 68 | Low | 106 Ų | 106 | 109.1 Ų | 109.1 | 69% | 0.688 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -53 | -31.8 | 175.2 | -27.7 | 35.7 | 0 | 0 | 0 | 113.4 | Y53 A54 | P50-Y53 PolarHBondContact O-N 3.44Å; P50-A54 WeakPolarHBondContact O-CB 3.49Å; P50-A54 PolarHBondContact O-N 3.29Å |
| 51 | E | 77.6 | Confident | 67.3 | Low | 150 Ų | 150 | 108.4 Ų | 108.4 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.7 | -42.4 | 172.8 | -81.8 | 95.5 | 178.8 | 0 | 0 | 113.4 | T49 Y53 A54 G55 | T49-E51 PolarHBondContact O-N 2.89Å; T49-E51 VanDerWaalsContact O-N 3.12Å; E51-Y53 VanDerWaalsContact C-N 3.32Å; E51-Y53 PolarHBondContact O-N 3.35Å; E51-A54 PolarHBondContact O-N 3.48Å; E51-G55 PolarHBondContact O-N 3.12Å |
| 52 | E | 76 | Confident | 66.7 | Low | 104 Ų | 104 | 107.7 Ų | 107.7 | 49% | 0.486 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.8 | -31.8 | -179.6 | -76.7 | 147.6 | 156.9 | 0 | 0 | 112 | V48 T49 | V48-E52 HydrophobicContact CG1-CB 3.87Å; T49-E52 VanDerWaalsContact CB-OE2 3.31Å; T49-E52 WeakPolarHBondContact CB-OE2 3.31Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.39Å; T49-E52 PolarHBondContact N-OE2 3.39Å; T49-E52 PolarHBondContact O-N 3.28Å; T49-E52 PolarHBondContact OG1-N 3.13Å; T49-E52 PolarHBondContact OG1-OE2 2.94Å |
| 53 | Y | 66.6 | Low | 66.1 | Low | 153 Ų | 153 | 106.3 Ų | 106.3 | 60% | 0.6 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71 | -44.4 | 171.4 | -172.6 | -107.5 | 0 | 0 | 0 | 112 | T49 P50 E51 G55 Q56 I57 | T49-Y53 PolarHBondContact O-N 3.31Å; P50-Y53 PolarHBondContact O-N 3.44Å; E51-Y53 VanDerWaalsContact C-N 3.32Å; E51-Y53 PolarHBondContact O-N 3.35Å; Y53-G55 VanDerWaalsContact C-N 3.3Å; Y53-G55 PolarHBondContact O-N 3.2Å; Y53-Q56 PolarHBondContact O-N 2.84Å; Y53-I57 HydrophobicContact CD1-CD1 3.74Å; Y53-I57 HydrophobicContact CE1-CD1 3.38Å; Y53-I57 HydrophobicContact CE1-CG1 4.45Å; Y53-I57 PolarHBondContact O-N 3.25Å |
| 54 | A | 72.9 | Confident | 66 | Low | 48 Ų | 48 | 102.9 Ų | 102.9 | 40% | 0.397 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.1 | -33.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P50 E51 I57 T58 | P50-A54 WeakPolarHBondContact O-CB 3.49Å; P50-A54 PolarHBondContact O-N 3.29Å; E51-A54 PolarHBondContact O-N 3.48Å; A54-I57 PolarHBondContact O-N 3.14Å; A54-T58 WeakPolarHBondContact O-CB 3.34Å; A54-T58 PolarHBondContact O-N 3.33Å; A54-T58 PolarHBondContact O-OG1 3.15Å |
| 55 | G | 71.6 | Confident | 65.3 | Low | 41 Ų | 41 | 107.6 Ų | 107.6 | 42% | 0.423 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.5 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E51 Y53 L59 | E51-G55 PolarHBondContact O-N 3.12Å; Y53-G55 VanDerWaalsContact C-N 3.3Å; Y53-G55 PolarHBondContact O-N 3.2Å; G55-L59 WeakPolarHBondContact O-CB 3.5Å; G55-L59 PolarHBondContact O-N 3.47Å; G55-L59 VanDerWaalsContact O-N 3.13Å |
| 56 | Q | 65.6 | Low | 65 | Low | 132 Ų | 132 | 110.2 Ų | 110.2 | 62% | 0.617 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.5 | -40 | 177.7 | -67.2 | -177.6 | 25.2 | 0 | 0 | 112.2 | Y53 L59 M60 | Y53-Q56 PolarHBondContact O-N 2.84Å; Q56-L59 PolarHBondContact O-N 3.25Å; Q56-M60 WeakPolarHBondContact O-CG 3.48Å; Q56-M60 PolarHBondContact O-N 2.98Å |
| 57 | I | 66 | Low | 65 | Low | 76 Ų | 76 | 110.5 Ų | 110.5 | 39% | 0.39 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.2 | -51.7 | 177 | -65.5 | 171.1 | 0 | 0 | 0 | 110.5 | Y53 A54 L59 M60 D61 | Y53-I57 HydrophobicContact CD1-CD1 3.74Å; Y53-I57 HydrophobicContact CE1-CD1 3.38Å; Y53-I57 HydrophobicContact CE1-CG1 4.45Å; Y53-I57 PolarHBondContact O-N 3.25Å; A54-I57 PolarHBondContact O-N 3.14Å; I57-L59 PolarHBondContact O-N 3.25Å; I57-M60 PolarHBondContact O-N 3.43Å; I57-D61 PolarHBondContact O-N 3.06Å |
| 58 | T | 66.2 | Low | 65 | Low | 83 Ų | 83 | 108 Ų | 108 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -56.6 | -38.3 | 179.6 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | A54 M60 D61 V62 | A54-T58 WeakPolarHBondContact O-CB 3.34Å; A54-T58 PolarHBondContact O-N 3.33Å; A54-T58 PolarHBondContact O-OG1 3.15Å; T58-M60 VanDerWaalsContact C-N 3.32Å; T58-M60 PolarHBondContact O-N 3.03Å; T58-D61 PolarHBondContact O-N 3.17Å; T58-V62 HydrophobicContact CG2-CG2 4.33Å; T58-V62 WeakPolarHBondContact O-CG2 3.13Å; T58-V62 PolarHBondContact O-N 3.43Å |
| 59 | L | 61.5 | Low | 65.3 | Low | 137 Ų | 137 | 109.6 Ų | 109.6 | 72% | 0.717 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.7 | -30.1 | -179.9 | -160.8 | 121.8 | 0 | 0 | 0 | 113.1 | G55 Q56 I57 | G55-L59 WeakPolarHBondContact O-CB 3.5Å; G55-L59 PolarHBondContact O-N 3.47Å; G55-L59 VanDerWaalsContact O-N 3.13Å; Q56-L59 PolarHBondContact O-N 3.25Å; I57-L59 PolarHBondContact O-N 3.25Å |
| 60 | M | 62.4 | Low | 64.9 | Low | 148 Ų | 148 | 112.4 Ų | 112.4 | 73% | 0.729 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76.7 | -26.1 | 174.4 | -65.1 | -136 | 72.8 | 0 | 0 | 113 | Q56 I57 T58 P63 | Q56-M60 WeakPolarHBondContact O-CG 3.48Å; Q56-M60 PolarHBondContact O-N 2.98Å; I57-M60 PolarHBondContact O-N 3.43Å; T58-M60 VanDerWaalsContact C-N 3.32Å; T58-M60 PolarHBondContact O-N 3.03Å; M60-P63 WeakPolarHBondContact O-CD 3.35Å |
| 61 | D | 56.8 | Low | 64.7 | Low | 69 Ų | 69 | 112.8 Ų | 112.8 | 37% | 0.369 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -91.8 | -21.6 | -178 | -64.9 | -29.2 | 0 | 0 | 0 | 113.8 | I57 T58 P63 V64 F65 | I57-D61 PolarHBondContact O-N 3.06Å; T58-D61 PolarHBondContact O-N 3.17Å; D61-P63 VanDerWaalsContact C-CD 3.47Å; D61-V64 WeakPolarHBondContact O-CA 3.49Å; D61-V64 WeakPolarHBondContact O-CB 3.21Å; D61-V64 PolarHBondContact O-N 3.49Å; D61-F65 HydrophobicContact CB-CD2 4.09Å; D61-F65 HydrophobicContact CB-CE2 3.75Å; D61-F65 WeakPolarHBondContact O-CD2 3.48Å; D61-F65 PolarHBondContact O-N 3.2Å; D61-F65 VanDerWaalsContact O-N 3.17Å |
| 62 | V | 58.7 | Low | 63.9 | Low | 76 Ų | 76 | 110.5 Ų | 110.5 | 46% | 0.461 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.3 | -40.7 | 178 | 163 | 0 | 0 | 0 | 0 | 114.1 | T58 V64 | T58-V62 HydrophobicContact CG2-CG2 4.33Å; T58-V62 WeakPolarHBondContact O-CG2 3.13Å; T58-V62 PolarHBondContact O-N 3.43Å; V62-V64 VanDerWaalsContact C-N 3.3Å; V62-V64 PolarHBondContact O-N 2.94Å |
| 63 | P | 60.5 | Low | 63.1 | Low | 90 Ų | 90 | 110.9 Ų | 110.9 | 58% | 0.584 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -27.3 | 175 | -19 | 32.8 | 0 | 0 | 0 | 113.4 | M60 D61 | M60-P63 WeakPolarHBondContact O-CD 3.35Å; D61-P63 VanDerWaalsContact C-CD 3.47Å |
| 64 | V | 63.7 | Low | 62.8 | Low | 104 Ų | 104 | 107.9 Ų | 107.9 | 63% | 0.63 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -73 | -33.1 | 179.3 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | D61 V62 | D61-V64 WeakPolarHBondContact O-CA 3.49Å; D61-V64 WeakPolarHBondContact O-CB 3.21Å; D61-V64 PolarHBondContact O-N 3.49Å; V62-V64 VanDerWaalsContact C-N 3.3Å; V62-V64 PolarHBondContact O-N 2.94Å |
| 65 | F | 58.8 | Low | 62 | Low | 171 Ų | 171 | 112.5 Ų | 112.5 | 75% | 0.75 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -82.3 | -6.7 | 179.5 | -71.6 | -68.7 | 0 | 0 | 0 | 115.4 | D61 | D61-F65 HydrophobicContact CB-CD2 4.09Å; D61-F65 HydrophobicContact CB-CE2 3.75Å; D61-F65 WeakPolarHBondContact O-CD2 3.48Å; D61-F65 PolarHBondContact O-N 3.2Å; D61-F65 VanDerWaalsContact O-N 3.17Å |
| 66 | K | 57.1 | Low | 61.2 | Low | 184 Ų | 184 | 118.5 Ų | 118.5 | 80% | 0.8 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -104.6 | 8.9 | 179 | -69.6 | -170.2 | 78.9 | -179.3 | 0 | 114.3 | | |
| 67 | A | 57.6 | Low | 60.8 | Low | 152 Ų | 152 | 117.3 Ų | 117.3 | 100% | 1.256 | 65% | 0.654 | S | S | * | * | | | trans | -87.2 | 0 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |