| 1 | M | 40 | Very low | 49.9 | Very low | 246 Ų | 246 | 148.3 Ų | 148.3 | 100% | 1.212 | 85% | 0.845 | S | S | * | * | | | | 0 | 132.6 | 0 | -68.8 | 167.3 | 63.1 | 0 | 0 | 107.7 | | |
| 2 | R | 44.4 | Very low | 50.7 | Low | 247 Ų | 247 | 143 Ų | 143 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | | | trans | -82.9 | 150.8 | -164.3 | -59.7 | 164.4 | 94.7 | 155.8 | 3.5 | 111.7 | | |
| 3 | G | 45.2 | Very low | 51.2 | Low | 73 Ų | 73 | 140.1 Ų | 140.1 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | | | trans | 151.2 | 69.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 4 | L | 53.6 | Low | 52 | Low | 168 Ų | 168 | 138.4 Ų | 138.4 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | | | | 55.9 | 103.7 | 84.2 | -69.3 | 175.6 | 0 | 0 | 0 | 115.7 | | |
| 5 | G | 46.8 | Very low | 52.5 | Low | 74 Ų | 74 | 136.8 Ų | 136.8 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | 75.8 | 138.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 6 | C | 47.9 | Very low | 53.3 | Low | 107 Ų | 107 | 130.2 Ų | 130.2 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | | | cis | -156.3 | 150.3 | 9.1 | -70 | 0 | 0 | 0 | 0 | 108.3 | | |
| 7 | P | 57.4 | Low | 53.4 | Low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -75.1 | 147.9 | 162.9 | 33.4 | -29 | 0 | 0 | 0 | 108.6 | | |
| 8 | F | 56.2 | Low | 53.9 | Low | 205 Ų | 205 | 128.4 Ų | 128.4 | 90% | 0.899 | 79% | 0.79 | S | S | * | * | | | trans | 82.9 | 52.8 | 163.6 | -139.8 | -90.8 | 0 | 0 | 0 | 119 | | |
| 9 | L | 50.5 | Low | 54.3 | Low | 149 Ų | 149 | 126.5 Ų | 126.5 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | | | trans | -112.7 | 130.8 | 158.1 | -95.4 | 81.7 | 0 | 0 | 0 | 110.5 | | |
| 10 | P | 50.7 | Low | 54.5 | Low | 110 Ų | 110 | 129.6 Ų | 129.6 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 145.9 | 171.4 | 26.3 | -32.6 | 0 | 0 | 0 | 109.6 | A12 | P10-A12 PolarHBondContact O-N 2.86Š|
| 11 | P | 56.3 | Low | 54.7 | Low | 129 Ų | 129 | 128.6 Ų | 128.6 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 119.1 | -177.7 | 22.6 | -31.6 | 0 | 0 | 0 | 109.5 | | |
| 12 | A | 60 | Low | 55.5 | Low | 85 Ų | 85 | 125.6 Ų | 125.6 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 138 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108 | P10 S14 | P10-A12 PolarHBondContact O-N 2.86Å; A12-S14 PolarHBondContact O-N 3Å |
| 13 | P | 56.9 | Low | 56.5 | Low | 105 Ų | 105 | 119.4 Ų | 119.4 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | | | trans | -61.9 | 107.3 | -179.6 | 24.8 | -31.5 | 0 | 0 | 0 | 108.3 | L15 | P13-L15 PolarHBondContact O-N 3.37Š|
| 14 | S | 61.8 | Low | 57.1 | Low | 116 Ų | 116 | 121.5 Ų | 121.5 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | | | trans | -69.7 | 96.6 | 176.2 | 57.3 | 0 | 0 | 0 | 0 | 108.2 | A12 G16 | A12-S14 PolarHBondContact O-N 3Å; S14-G16 PolarHBondContact O-N 3.13Å |
| 15 | L | 59.9 | Low | 57.6 | Low | 115 Ų | 115 | 119.2 Ų | 119.2 | 60% | 0.602 | 73% | 0.734 | S | S | * | * | | | trans | -67 | 97 | 169.2 | -69.3 | 160.6 | 0 | 0 | 0 | 107.5 | P13 H21 | P13-L15 PolarHBondContact O-N 3.37Å; L15-H21 HydrophobicContact CD2-CB 3.27Å; L15-H21 WeakPolarHBondContact CD2-ND1 3.48Å |
| 16 | G | 65.6 | Low | 58.3 | Low | 31 Ų | 31 | 120.8 Ų | 120.8 | 32% | 0.32 | 73% | 0.733 | S | S | . | * | | | trans | -64.3 | 145 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S14 G18 T19 | S14-G16 PolarHBondContact O-N 3.13Å; G16-G18 PolarHBondContact O-N 3.42Å; G16-T19 WeakPolarHBondContact O-CB 3.5Å; G16-T19 PolarHBondContact O-N 3.39Å; G16-T19 VanDerWaalsContact O-N 3.08Å; G16-T19 PolarHBondContact O-OG1 2.89Å |
| 17 | P | 53.9 | Low | 59.3 | Low | 142 Ų | 142 | 121.5 Ų | 121.5 | 92% | 0.922 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 125.7 | 176.1 | -19.5 | 29.6 | 0 | 0 | 0 | 110.6 | | |
| 18 | G | 63.4 | Low | 59.7 | Low | 87 Ų | 87 | 123.3 Ų | 123.3 | 90% | 0.897 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.8 | 0.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | G16 | G16-G18 PolarHBondContact O-N 3.42Š|
| 19 | T | 61.9 | Low | 60.2 | Low | 91 Ų | 91 | 118.4 Ų | 118.4 | 56% | 0.558 | 71% | 0.712 | S | S | * | * | | | trans | -92.3 | 109.7 | 177 | -30 | 0 | 0 | 0 | 0 | 110.4 | G16 H21 | G16-T19 WeakPolarHBondContact O-CB 3.5Å; G16-T19 PolarHBondContact O-N 3.39Å; G16-T19 VanDerWaalsContact O-N 3.08Å; G16-T19 PolarHBondContact O-OG1 2.89Å; T19-H21 PolarHBondContact O-N 3.06Å |
| 20 | M | 57.6 | Low | 60.7 | Low | 189 Ų | 189 | 115 Ų | 115 | 93% | 0.931 | 70% | 0.699 | S | S | * | * | | | trans | -75 | 104.5 | 167.7 | -73.1 | -140.3 | -69.8 | 0 | 0 | 109.3 | Q22 | M20-Q22 PolarHBondContact O-N 3.42Š|
| 21 | H | 59.3 | Low | 61.4 | Low | 108 Ų | 108 | 119.7 Ų | 119.7 | 50% | 0.5 | 71% | 0.708 | S | S | . | * | | | trans | -89.4 | 98.3 | 177.5 | -163.6 | 109 | 0 | 0 | 0 | 109.4 | L15 T19 L23 | L15-H21 HydrophobicContact CD2-CB 3.27Å; L15-H21 WeakPolarHBondContact CD2-ND1 3.48Å; T19-H21 PolarHBondContact O-N 3.06Å; H21-L23 WeakPolarHBondContact CD2-CD1 3.34Å; H21-L23 WeakPolarHBondContact NE2-CD1 3.46Å; H21-L23 PolarHBondContact O-N 2.93Å; H21-L23 VanDerWaalsContact O-N 3.15Å |
| 22 | Q | 56.5 | Low | 61.8 | Low | 183 Ų | 183 | 121 Ų | 121 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | | | trans | -79.7 | 96.9 | 173.8 | -169.6 | 172.7 | -43.9 | 0 | 0 | 108.5 | M20 P24 | M20-Q22 PolarHBondContact O-N 3.42Å; Q22-P24 VanDerWaalsContact O-CD 3.24Å; Q22-P24 WeakPolarHBondContact O-CD 3.48Å |
| 23 | L | 65.9 | Low | 61.9 | Low | 118 Ų | 118 | 120 Ų | 120 | 62% | 0.618 | 69% | 0.69 | S | S | * | * | | | trans | -73.5 | 114.3 | 173.7 | -141.9 | 74.6 | 0 | 0 | 0 | 107.7 | H21 T25 | H21-L23 WeakPolarHBondContact CD2-CD1 3.34Å; H21-L23 WeakPolarHBondContact NE2-CD1 3.46Å; H21-L23 PolarHBondContact O-N 2.93Å; H21-L23 VanDerWaalsContact O-N 3.15Å; L23-T25 PolarHBondContact O-N 3.25Å |
| 24 | P | 56.1 | Low | 62.5 | Low | 117 Ų | 117 | 120 Ų | 120 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | | | trans | -69.2 | 98.8 | 176.7 | 27.7 | -32 | 0 | 0 | 0 | 108.7 | Q22 S26 | Q22-P24 VanDerWaalsContact O-CD 3.24Å; Q22-P24 WeakPolarHBondContact O-CD 3.48Å; P24-S26 PolarHBondContact O-N 3.48Å |
| 25 | T | 64.6 | Low | 62.7 | Low | 119 Ų | 119 | 117.2 Ų | 117.2 | 73% | 0.73 | 68% | 0.68 | S | S | * | * | | | trans | -78.3 | 87.8 | 172.6 | 53.8 | 0 | 0 | 0 | 0 | 108.6 | L23 | L23-T25 PolarHBondContact O-N 3.25Š|
| 26 | S | 62.6 | Low | 63.1 | Low | 107 Ų | 107 | 113.8 Ų | 113.8 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | | | trans | -88 | 116.5 | 167.4 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | P24 | P24-S26 PolarHBondContact O-N 3.48Š|
| 27 | I | 67.3 | Low | 63.2 | Low | 123 Ų | 123 | 117.3 Ų | 117.3 | 63% | 0.631 | 68% | 0.679 | S | S | * | * | | | trans | -106.4 | 115.7 | 173.4 | -58.7 | 169.5 | 0 | 0 | 0 | 106.6 | I29 | I27-I29 PolarHBondContact O-N 2.93Š|
| 28 | L | 66.1 | Low | 64 | Low | 161 Ų | 161 | 114.4 Ų | 114.4 | 84% | 0.843 | 66% | 0.655 | S | S | * | * | | | trans | -70.5 | 113 | 168.8 | -67.2 | 173.2 | 0 | 0 | 0 | 107.7 | P30 | L28-P30 WeakPolarHBondContact O-CD 3.48Š|
| 29 | I | 67.3 | Low | 64.6 | Low | 101 Ų | 101 | 115.6 Ų | 115.6 | 52% | 0.518 | 64% | 0.64 | S | S | . | * | | | trans | -87.2 | 113.1 | 176.2 | -56.4 | 171.1 | 0 | 0 | 0 | 107.6 | I27 K31 M33 L38 | I27-I29 PolarHBondContact O-N 2.93Å; I29-K31 PolarHBondContact O-N 3.29Å; I29-M33 HydrophobicContact CG2-SD 3.93Å; I29-L38 HydrophobicContact CD1-CD2 4.08Å; I29-L38 HydrophobicContact CG2-CD2 4.37Å |
| 30 | P | 61.1 | Low | 65.4 | Low | 77 Ų | 77 | 115.9 Ų | 115.9 | 50% | 0.5 | 64% | 0.641 | S | S | . | * | | | trans | -54.4 | 129.4 | 174.4 | -8.8 | 4.2 | 0 | 0 | 0 | 111.2 | L28 N32 M33 | L28-P30 WeakPolarHBondContact O-CD 3.48Å; P30-N32 PolarHBondContact O-N 3.31Å; P30-M33 HydrophobicContact CB-CG 3.89Å; P30-M33 HydrophobicContact CB-SD 4.43Å; P30-M33 WeakPolarHBondContact CD-SD 3.32Å; P30-M33 HydrophobicContact CG-CE 4.45Å; P30-M33 HydrophobicContact CG-CG 3.69Å; P30-M33 HydrophobicContact CG-SD 3.69Å; P30-M33 WeakPolarHBondContact O-CG 3.18Å; P30-M33 PolarHBondContact O-N 3.43Å; P30-M33 VanDerWaalsContact O-N 3.13Å |
| 31 | K | 64.9 | Low | 66.4 | Low | 209 Ų | 209 | 109.7 Ų | 109.7 | 91% | 0.909 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -12.9 | -177 | -155.9 | -170.6 | 79.2 | 71.3 | 0 | 114.5 | I29 | I29-K31 PolarHBondContact O-N 3.29Š|
| 32 | N | 64.6 | Low | 67.4 | Low | 156 Ų | 156 | 109.1 Ų | 109.1 | 83% | 0.834 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 32 | -176.8 | -156.9 | 53.9 | 0 | 0 | 0 | 112.5 | P30 | P30-N32 PolarHBondContact O-N 3.31Š|
| 33 | M | 62.6 | Low | 68.5 | Low | 65 Ų | 65 | 103.7 Ų | 103.7 | 32% | 0.32 | 60% | 0.597 | S | S | . | * | | | trans | -76.9 | 135.4 | 169.9 | -72.1 | -177 | 105.9 | 0 | 0 | 110.2 | I29 P30 G35 F37 | I29-M33 HydrophobicContact CG2-SD 3.93Å; P30-M33 HydrophobicContact CB-CG 3.89Å; P30-M33 HydrophobicContact CB-SD 4.43Å; P30-M33 WeakPolarHBondContact CD-SD 3.32Å; P30-M33 HydrophobicContact CG-CE 4.45Å; P30-M33 HydrophobicContact CG-CG 3.69Å; P30-M33 HydrophobicContact CG-SD 3.69Å; P30-M33 WeakPolarHBondContact O-CG 3.18Å; P30-M33 PolarHBondContact O-N 3.43Å; P30-M33 VanDerWaalsContact O-N 3.13Å; M33-G35 PolarHBondContact O-N 3.27Å; M33-F37 HydrophobicContact CE-CB 4.31Å; M33-F37 HydrophobicContact CE-CD1 3.31Å; M33-F37 HydrophobicContact CE-CD2 3.9Å; M33-F37 HydrophobicContact CE-CE1 3.43Å; M33-F37 VanDerWaalsContact CE-CE1 3.43Å; M33-F37 HydrophobicContact CE-CE2 4Å; M33-F37 HydrophobicContact CE-CG 3.56Å; M33-F37 HydrophobicContact CE-CZ 3.78Å; M33-F37 HydrophobicContact SD-CD1 3.91Å; M33-F37 HydrophobicContact SD-CE1 4.29Å; M33-F37 HydrophobicContact SD-CG 4.43Å |
| 34 | P | 69.3 | Low | 69.1 | Low | 104 Ų | 104 | 103.2 Ų | 103.2 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | | | trans | -58.2 | 133.9 | 172.8 | 24.7 | -32.2 | 0 | 0 | 0 | 109.2 | G36 F37 | P34-G36 PolarHBondContact O-N 3.5Å; P34-F37 PolarHBondContact O-N 3.48Å |
| 35 | G | 65.1 | Low | 70.3 | Confident | 59 Ų | 59 | 101.9 Ų | 101.9 | 61% | 0.608 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -15.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | M33 F37 | M33-G35 PolarHBondContact O-N 3.27Å; G35-F37 VanDerWaalsContact C-N 3.34Å; G35-F37 PolarHBondContact O-N 3.34Å |
| 36 | G | 70 | Confident | 70.9 | Confident | 43 Ų | 43 | 103.8 Ų | 103.8 | 44% | 0.443 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.2 | -21.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | P34 L38 I39 V40 | P34-G36 PolarHBondContact O-N 3.5Å; G36-L38 VanDerWaalsContact C-N 3.34Å; G36-L38 PolarHBondContact O-N 3.29Å; G36-I39 PolarHBondContact O-N 2.73Å; G36-V40 WeakPolarHBondContact O-CG2 3.28Å; G36-V40 PolarHBondContact O-N 3.37Å |
| 37 | F | 67.8 | Low | 71.3 | Confident | 104 Ų | 104 | 103.4 Ų | 103.4 | 46% | 0.456 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67 | -35.6 | -177.5 | -170.9 | -94.4 | 0 | 0 | 0 | 112.6 | M33 P34 G35 I39 V40 L41 | M33-F37 HydrophobicContact CE-CB 4.31Å; M33-F37 HydrophobicContact CE-CD1 3.31Å; M33-F37 HydrophobicContact CE-CD2 3.9Å; M33-F37 HydrophobicContact CE-CE1 3.43Å; M33-F37 VanDerWaalsContact CE-CE1 3.43Å; M33-F37 HydrophobicContact CE-CE2 4Å; M33-F37 HydrophobicContact CE-CG 3.56Å; M33-F37 HydrophobicContact CE-CZ 3.78Å; M33-F37 HydrophobicContact SD-CD1 3.91Å; M33-F37 HydrophobicContact SD-CE1 4.29Å; M33-F37 HydrophobicContact SD-CG 4.43Å; P34-F37 PolarHBondContact O-N 3.48Å; G35-F37 VanDerWaalsContact C-N 3.34Å; G35-F37 PolarHBondContact O-N 3.34Å; F37-I39 VanDerWaalsContact C-N 3.34Å; F37-V40 PolarHBondContact O-N 3.32Å; F37-L41 WeakPolarHBondContact O-CB 3.36Å; F37-L41 PolarHBondContact O-N 3.43Å |
| 38 | L | 69.6 | Low | 71.3 | Confident | 82 Ų | 82 | 103.4 Ų | 103.4 | 43% | 0.429 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.8 | -35.7 | 177.8 | -63.5 | 178.6 | 0 | 0 | 0 | 112 | I29 G36 L41 V42 | I29-L38 HydrophobicContact CD1-CD2 4.08Å; I29-L38 HydrophobicContact CG2-CD2 4.37Å; G36-L38 VanDerWaalsContact C-N 3.34Å; G36-L38 PolarHBondContact O-N 3.29Å; L38-L41 PolarHBondContact O-N 3.35Å; L38-V42 VanDerWaalsContact O-CG2 3.31Å; L38-V42 WeakPolarHBondContact O-CG2 3.49Å; L38-V42 PolarHBondContact O-N 2.98Å |
| 39 | I | 76.9 | Confident | 71.1 | Confident | 112 Ų | 112 | 104.7 Ų | 104.7 | 57% | 0.574 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.1 | -46.3 | 178.5 | -58 | 174.1 | 0 | 0 | 0 | 109.9 | G36 F37 L41 V42 C43 | G36-I39 PolarHBondContact O-N 2.73Å; F37-I39 VanDerWaalsContact C-N 3.34Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 2.97Å; I39-V42 PolarHBondContact O-N 2.96Å; I39-C43 WeakPolarHBondContact O-CB 3.47Å; I39-C43 PolarHBondContact O-N 3.42Å; I39-C43 PolarHBondContact O-SG 3.23Å; I39-C43 VanDerWaalsContact O-SG 3.32Å |
| 40 | V | 77.4 | Confident | 71.3 | Confident | 96 Ų | 96 | 104.9 Ų | 104.9 | 58% | 0.582 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.1 | -41.6 | 177 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | G36 F37 C43 L44 | G36-V40 WeakPolarHBondContact O-CG2 3.28Å; G36-V40 PolarHBondContact O-N 3.37Å; F37-V40 PolarHBondContact O-N 3.32Å; V40-C43 PolarHBondContact O-N 3.37Å; V40-L44 WeakPolarHBondContact O-CB 3.38Å; V40-L44 PolarHBondContact O-N 3.01Å |
| 41 | L | 78.8 | Confident | 71.9 | Confident | 59 Ų | 59 | 106.4 Ų | 106.4 | 31% | 0.309 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.1 | -45.3 | 177.2 | -175.5 | 64.9 | 0 | 0 | 0 | 112 | F37 L38 I39 L44 I45 | F37-L41 WeakPolarHBondContact O-CB 3.36Å; F37-L41 PolarHBondContact O-N 3.43Å; L38-L41 PolarHBondContact O-N 3.35Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 2.97Å; L41-L44 PolarHBondContact O-N 2.9Å; L41-I45 HydrophobicContact CD1-CD1 4.34Å; L41-I45 HydrophobicContact CG-CD1 4.05Å; L41-I45 WeakPolarHBondContact O-CD1 3.31Å; L41-I45 VanDerWaalsContact O-CG1 3.28Å; L41-I45 WeakPolarHBondContact O-CG1 3.24Å; L41-I45 PolarHBondContact O-N 3.05Å |
| 42 | V | 80.3 | Confident | 72.2 | Confident | 96 Ų | 96 | 100.7 Ų | 100.7 | 58% | 0.582 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.4 | -44.1 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | L38 I39 L44 I45 F46 | L38-V42 VanDerWaalsContact O-CG2 3.31Å; L38-V42 WeakPolarHBondContact O-CG2 3.49Å; L38-V42 PolarHBondContact O-N 2.98Å; I39-V42 PolarHBondContact O-N 2.96Å; V42-L44 VanDerWaalsContact C-N 3.31Å; V42-L44 PolarHBondContact O-N 3.06Å; V42-I45 PolarHBondContact O-N 2.94Å; V42-F46 WeakPolarHBondContact O-CB 3.49Å; V42-F46 PolarHBondContact O-N 3.24Å |
| 43 | C | 80.6 | Confident | 72.7 | Confident | 69 Ų | 69 | 97.4 Ų | 97.4 | 47% | 0.466 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.3 | -39.8 | 176.2 | -71.4 | 0 | 0 | 0 | 0 | 112.2 | I39 V40 S47 | I39-C43 WeakPolarHBondContact O-CB 3.47Å; I39-C43 PolarHBondContact O-N 3.42Å; I39-C43 PolarHBondContact O-SG 3.23Å; I39-C43 VanDerWaalsContact O-SG 3.32Å; V40-C43 PolarHBondContact O-N 3.37Å; C43-S47 WeakPolarHBondContact O-CB 3.24Å; C43-S47 PolarHBondContact O-N 3.15Å; C43-S47 PolarHBondContact O-OG 3.01Å |
| 44 | L | 78.8 | Confident | 73.3 | Confident | 108 Ų | 108 | 99.4 Ų | 99.4 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.4 | -43 | 178.6 | -171 | 126.8 | 0 | 0 | 0 | 111.6 | V40 L41 V42 S47 V48 | V40-L44 WeakPolarHBondContact O-CB 3.38Å; V40-L44 PolarHBondContact O-N 3.01Å; L41-L44 PolarHBondContact O-N 2.9Å; V42-L44 VanDerWaalsContact C-N 3.31Å; V42-L44 PolarHBondContact O-N 3.06Å; L44-S47 PolarHBondContact O-N 2.87Å; L44-V48 VanDerWaalsContact O-CG2 3.32Å; L44-V48 WeakPolarHBondContact O-CG2 3.42Å; L44-V48 PolarHBondContact O-N 3.2Å |
| 45 | I | 80.5 | Confident | 73.6 | Confident | 89 Ų | 89 | 99.1 Ų | 99.1 | 46% | 0.456 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.1 | -46.9 | 176 | -67.3 | 163.3 | 0 | 0 | 0 | 110.6 | L41 V42 S47 V48 L49 | L41-I45 HydrophobicContact CD1-CD1 4.34Å; L41-I45 HydrophobicContact CG-CD1 4.05Å; L41-I45 WeakPolarHBondContact O-CD1 3.31Å; L41-I45 VanDerWaalsContact O-CG1 3.28Å; L41-I45 WeakPolarHBondContact O-CG1 3.24Å; L41-I45 PolarHBondContact O-N 3.05Å; V42-I45 PolarHBondContact O-N 2.94Å; I45-S47 VanDerWaalsContact C-N 3.31Å; I45-S47 PolarHBondContact O-N 2.77Å; I45-V48 PolarHBondContact O-N 3.4Å; I45-L49 HydrophobicContact CG2-CD1 3.9Å; I45-L49 PolarHBondContact O-N 3.08Å |
| 46 | F | 76.5 | Confident | 74.2 | Confident | 160 Ų | 160 | 102 Ų | 102 | 70% | 0.702 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.9 | -29.1 | 180 | -170.1 | -95.4 | 0 | 0 | 0 | 113.2 | V42 V48 | V42-F46 WeakPolarHBondContact O-CB 3.49Å; V42-F46 PolarHBondContact O-N 3.24Å; F46-V48 VanDerWaalsContact C-N 3.29Å; F46-V48 PolarHBondContact O-N 3.24Å |
| 47 | S | 72.5 | Confident | 74.5 | Confident | 99 Ų | 99 | 106.5 Ų | 106.5 | 69% | 0.692 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.3 | -18.8 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | C43 L44 I45 | C43-S47 WeakPolarHBondContact O-CB 3.24Å; C43-S47 PolarHBondContact O-N 3.15Å; C43-S47 PolarHBondContact O-OG 3.01Å; L44-S47 PolarHBondContact O-N 2.87Å; I45-S47 VanDerWaalsContact C-N 3.31Å; I45-S47 PolarHBondContact O-N 2.77Å |
| 48 | V | 67.8 | Low | 75.1 | Confident | 123 Ų | 123 | 106.8 Ų | 106.8 | 75% | 0.745 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -96.2 | -24.5 | -179 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | L44 I45 F46 | L44-V48 VanDerWaalsContact O-CG2 3.32Å; L44-V48 WeakPolarHBondContact O-CG2 3.42Å; L44-V48 PolarHBondContact O-N 3.2Å; I45-V48 PolarHBondContact O-N 3.4Å; F46-V48 VanDerWaalsContact C-N 3.29Å; F46-V48 PolarHBondContact O-N 3.24Å |
| 49 | L | 61.5 | Low | 75.6 | Confident | 188 Ų | 188 | 109 Ų | 109 | 98% | 0.984 | 61% | 0.605 | S | S | * | * | | | trans | -75.8 | 0 | 171.5 | -93 | 152.1 | 0 | 0 | 0 | 111.5 | I45 | I45-L49 HydrophobicContact CG2-CD1 3.9Å; I45-L49 PolarHBondContact O-N 3.08Å |