| 1 | M | 68.4 | Low | 71.3 | Confident | 235 Ų | 235 | 145.7 Ų | 145.7 | 100% | 1.158 | 78% | 0.776 | S | S | * | * | | | | 0 | 107.7 | 0 | -169.4 | 175.7 | -149.5 | 0 | 0 | 104.9 | | |
| 2 | E | 68.8 | Low | 71.1 | Confident | 176 Ų | 176 | 146.7 Ų | 146.7 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -69.3 | 132.9 | 179.2 | -63.9 | -67.7 | 108.2 | 0 | 0 | 108.5 | | |
| 3 | P | 72.5 | Confident | 70.8 | Confident | 109 Ų | 109 | 148.4 Ų | 148.4 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | | | trans | -72.7 | 134.7 | 178.2 | 29.1 | -32.3 | 0 | 0 | 0 | 110.2 | T5 | P3-T5 VanDerWaalsContact O-N 3.15Å; P3-T5 PolarHBondContact O-N 2.96Å |
| 4 | E | 72.9 | Confident | 70.6 | Confident | 184 Ų | 184 | 141.3 Ų | 141.3 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | -63.5 | 115.5 | 174.5 | -62 | -170.5 | 111.4 | 0 | 0 | 109.3 | V6 | E4-V6 PolarHBondContact O-N 2.95Š|
| 5 | T | 69.9 | Low | 70.2 | Confident | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | -71.1 | 96 | 178.1 | 54.4 | 0 | 0 | 0 | 0 | 108.7 | P3 L7 | P3-T5 VanDerWaalsContact O-N 3.15Å; P3-T5 PolarHBondContact O-N 2.96Å; T5-L7 PolarHBondContact O-N 3.15Å |
| 6 | V | 69.7 | Low | 69.8 | Low | 96 Ų | 96 | 142.9 Ų | 142.9 | 58% | 0.582 | 77% | 0.77 | S | S | * | * | | | trans | -71.2 | 98 | 172.6 | -170.7 | 0 | 0 | 0 | 0 | 108.1 | E4 W8 | E4-V6 PolarHBondContact O-N 2.95Å; V6-W8 HydrophobicContact CG1-CD2 3.86Å; V6-W8 HydrophobicContact CG1-CG 4.1Å; V6-W8 HydrophobicContact CG1-CH2 4.49Å; V6-W8 HydrophobicContact CG1-CZ2 3.69Å; V6-W8 VanDerWaalsContact O-CD1 3.23Å; V6-W8 PolarHBondContact O-N 2.97Å |
| 7 | L | 70.8 | Confident | 69.3 | Low | 162 Ų | 162 | 142.9 Ų | 142.9 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | | | trans | -76.9 | 76.7 | 176.7 | -149 | 88.7 | 0 | 0 | 0 | 108.1 | T5 G9 | T5-L7 PolarHBondContact O-N 3.15Å; L7-G9 VanDerWaalsContact C-N 3.33Å; L7-G9 PolarHBondContact O-N 2.88Å |
| 8 | W | 70.8 | Confident | 68.8 | Low | 225 Ų | 225 | 138.6 Ų | 138.6 | 85% | 0.852 | 75% | 0.746 | S | S | * | * | | | trans | -61 | 101.3 | 168.3 | -58.5 | 95.6 | 0 | 0 | 0 | 106.7 | V6 | V6-W8 HydrophobicContact CG1-CD2 3.86Å; V6-W8 HydrophobicContact CG1-CG 4.1Å; V6-W8 HydrophobicContact CG1-CH2 4.49Å; V6-W8 HydrophobicContact CG1-CZ2 3.69Å; V6-W8 VanDerWaalsContact O-CD1 3.23Å; V6-W8 PolarHBondContact O-N 2.97Å |
| 9 | G | 76.6 | Confident | 68.3 | Low | 51 Ų | 51 | 140.6 Ų | 140.6 | 53% | 0.526 | 75% | 0.751 | S | S | . | * | | | trans | -53.2 | 163.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | L7 D11 | L7-G9 VanDerWaalsContact C-N 3.33Å; L7-G9 PolarHBondContact O-N 2.88Å; G9-D11 PolarHBondContact O-N 2.81Å; G9-D11 VanDerWaalsContact O-N 3.14Å |
| 10 | P | 72.6 | Confident | 67.8 | Low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | | | trans | -52.7 | 127.5 | -176.4 | 23.1 | -32.9 | 0 | 0 | 0 | 109.6 | L12 | P10-L12 VanDerWaalsContact C-N 3.34Å; P10-L12 PolarHBondContact O-N 2.88Å |
| 11 | D | 71.4 | Confident | 67.4 | Low | 124 Ų | 124 | 137.7 Ų | 137.7 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | | | trans | -56.8 | 99.1 | 177.4 | -172.4 | -114 | 0 | 0 | 0 | 107.9 | G9 Q13 | G9-D11 PolarHBondContact O-N 2.81Å; G9-D11 VanDerWaalsContact O-N 3.14Å; D11-Q13 PolarHBondContact O-N 3.14Å; D11-Q13 WeakPolarHBondContact OD1-CG 3.33Å; D11-Q13 PolarHBondContact OD1-NE2 2.87Å |
| 12 | L | 69.2 | Low | 67 | Low | 157 Ų | 157 | 129.8 Ų | 129.8 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | | | trans | -77.6 | 67.9 | 174.4 | -62.1 | -178.3 | 0 | 0 | 0 | 107.3 | P10 G14 | P10-L12 VanDerWaalsContact C-N 3.34Å; P10-L12 PolarHBondContact O-N 2.88Å; L12-G14 PolarHBondContact O-N 2.82Å |
| 13 | Q | 66.3 | Low | 66.5 | Low | 169 Ų | 169 | 127.5 Ų | 127.5 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | | | trans | -61.3 | 81.3 | 154 | -101.2 | 170.8 | 59.7 | 0 | 0 | 106.8 | D11 | D11-Q13 PolarHBondContact O-N 3.14Å; D11-Q13 WeakPolarHBondContact OD1-CG 3.33Å; D11-Q13 PolarHBondContact OD1-NE2 2.87Å |
| 14 | G | 68.5 | Low | 65.9 | Low | 49 Ų | 49 | 130.5 Ų | 130.5 | 51% | 0.505 | 69% | 0.689 | S | S | . | * | | | trans | -58.7 | 146.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | L12 E16 | L12-G14 PolarHBondContact O-N 2.82Å; G14-E16 PolarHBondContact O-N 2.77Å |
| 15 | P | 65.2 | Low | 65.3 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 78% | 0.779 | 67% | 0.672 | S | S | * | * | | | trans | -59.3 | 108.6 | 171.5 | 25.2 | -31.2 | 0 | 0 | 0 | 107.4 | E17 | P15-E17 HydrophobicContact CB-CG 4.47Å; P15-E17 PolarHBondContact O-N 2.89Å |
| 16 | E | 64 | Low | 64.7 | Low | 188 Ų | 188 | 121.3 Ų | 121.3 | 88% | 0.879 | 66% | 0.658 | S | S | * | * | | | trans | -66.8 | 66.7 | 163.7 | -89.5 | -160.1 | 82.9 | 0 | 0 | 108.4 | G14 S18 | G14-E16 PolarHBondContact O-N 2.77Å; E16-S18 PolarHBondContact O-N 2.76Å |
| 17 | E | 61.1 | Low | 63.6 | Low | 143 Ų | 143 | 120.5 Ų | 120.5 | 67% | 0.668 | 66% | 0.656 | S | S | * | * | | | trans | -74.2 | 74.9 | 159.1 | -81.3 | -97.1 | 78 | 0 | 0 | 106.2 | P15 Q19 | P15-E17 HydrophobicContact CB-CG 4.47Å; P15-E17 PolarHBondContact O-N 2.89Å; E17-Q19 PolarHBondContact O-N 3.27Å |
| 18 | S | 59.7 | Low | 63 | Low | 65 Ų | 65 | 121 Ų | 121 | 46% | 0.455 | 65% | 0.651 | S | S | . | * | | | trans | -52.1 | 125.4 | 173.7 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | E16 N20 E21 | E16-S18 PolarHBondContact O-N 2.76Å; S18-N20 WeakPolarHBondContact OG-CB 3.27Å; S18-N20 PolarHBondContact O-N 2.89Å; S18-N20 VanDerWaalsContact OG-CB 3.27Å; S18-E21 PolarHBondContact O-N 2.74Å |
| 19 | Q | 59.7 | Low | 62.2 | Low | 177 Ų | 177 | 114.8 Ų | 114.8 | 83% | 0.827 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.9 | -11.4 | 170.7 | -64 | 178.1 | -44.1 | 0 | 0 | 113.3 | E17 E21 A22 H23 | E17-Q19 PolarHBondContact O-N 3.27Å; Q19-E21 VanDerWaalsContact C-N 3.35Å; Q19-A22 PolarHBondContact O-N 3.41Å; Q19-H23 PolarHBondContact O-N 3.02Å; Q19-H23 VanDerWaalsContact O-N 3.11Å |
| 20 | N | 57.7 | Low | 61.3 | Low | 89 Ų | 89 | 117.2 Ų | 117.2 | 48% | 0.476 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -58.2 | -36.7 | 168.5 | -152.7 | -66.9 | 0 | 0 | 0 | 113.9 | S18 H23 R24 | S18-N20 WeakPolarHBondContact OG-CB 3.27Å; S18-N20 PolarHBondContact O-N 2.89Å; S18-N20 VanDerWaalsContact OG-CB 3.27Å; N20-H23 PolarHBondContact O-N 3.48Å; N20-R24 PolarHBondContact O-N 2.9Å |
| 21 | E | 59.3 | Low | 60.2 | Low | 132 Ų | 132 | 122.3 Ų | 122.3 | 62% | 0.617 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.9 | -42.7 | 177.2 | -177.3 | 136.5 | 122.8 | 0 | 0 | 111.1 | S18 Q19 H23 R24 A25 | S18-E21 PolarHBondContact O-N 2.74Å; Q19-E21 VanDerWaalsContact C-N 3.35Å; E21-H23 VanDerWaalsContact C-N 3.34Å; E21-H23 PolarHBondContact O-N 3.45Å; E21-R24 PolarHBondContact O-N 3.24Å; E21-A25 WeakPolarHBondContact O-CB 3.46Å; E21-A25 PolarHBondContact O-N 3.43Å |
| 22 | A | 60.1 | Low | 59.3 | Low | 69 Ų | 69 | 120.5 Ų | 120.5 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.8 | -39.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q19 A25 A26 | Q19-A22 PolarHBondContact O-N 3.41Å; A22-A25 PolarHBondContact O-N 3.11Å; A22-A26 PolarHBondContact O-N 3.44Å |
| 23 | H | 59.5 | Low | 58.6 | Low | 128 Ų | 128 | 119 Ų | 119 | 59% | 0.593 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.9 | -38.3 | 175.3 | -175.2 | -92.7 | 0 | 0 | 0 | 112.6 | Q19 N20 E21 A26 C27 | Q19-H23 PolarHBondContact O-N 3.02Å; Q19-H23 VanDerWaalsContact O-N 3.11Å; N20-H23 PolarHBondContact O-N 3.48Å; E21-H23 VanDerWaalsContact C-N 3.34Å; E21-H23 PolarHBondContact O-N 3.45Å; H23-A26 PolarHBondContact O-N 3.33Å; H23-C27 PolarHBondContact O-N 3.38Å |
| 24 | R | 59.3 | Low | 57.6 | Low | 171 Ų | 171 | 116.4 Ų | 116.4 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.1 | -38.1 | 173.7 | -83.3 | -169.5 | 172.1 | -178.9 | 0.2 | 112.7 | N20 E21 C27 K28 | N20-R24 PolarHBondContact O-N 2.9Å; E21-R24 PolarHBondContact O-N 3.24Å; R24-C27 PolarHBondContact O-N 2.89Å; R24-K28 PolarHBondContact O-N 3.25Å |
| 25 | A | 59.5 | Low | 56.9 | Low | 61 Ų | 61 | 117 Ų | 117 | 50% | 0.504 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -63.7 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E21 A22 C27 K28 S29 | E21-A25 WeakPolarHBondContact O-CB 3.46Å; E21-A25 PolarHBondContact O-N 3.43Å; A22-A25 PolarHBondContact O-N 3.11Å; A25-C27 PolarHBondContact O-N 3.34Å; A25-K28 PolarHBondContact O-N 3.23Å; A25-S29 PolarHBondContact O-N 3.39Å |
| 26 | A | 57.3 | Low | 56.2 | Low | 57 Ų | 57 | 123.4 Ų | 123.4 | 47% | 0.471 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -62.6 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | A22 H23 K28 S29 | A22-A26 PolarHBondContact O-N 3.44Å; H23-A26 PolarHBondContact O-N 3.33Å; A26-K28 VanDerWaalsContact C-N 3.29Å; A26-K28 PolarHBondContact O-N 3.47Å; A26-S29 PolarHBondContact O-N 3.04Å |
| 27 | C | 48.3 | Very low | 55.6 | Low | 79 Ų | 79 | 118.4 Ų | 118.4 | 53% | 0.534 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -67.8 | -23.1 | 176.8 | -105 | 0 | 0 | 0 | 0 | 114.4 | H23 R24 A25 T30 | H23-C27 PolarHBondContact O-N 3.38Å; R24-C27 PolarHBondContact O-N 2.89Å; A25-C27 PolarHBondContact O-N 3.34Å; C27-T30 PolarHBondContact O-OG1 3.37Å |
| 28 | K | 57.3 | Low | 55.2 | Low | 173 Ų | 173 | 115.1 Ų | 115.1 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -81 | -27.6 | 176.3 | -75.2 | 175.9 | 178.2 | 177.8 | 0 | 112.6 | R24 A25 A26 | R24-K28 PolarHBondContact O-N 3.25Å; A25-K28 PolarHBondContact O-N 3.23Å; A26-K28 VanDerWaalsContact C-N 3.29Å; A26-K28 PolarHBondContact O-N 3.47Å |
| 29 | S | 53.4 | Low | 55.2 | Low | 94 Ų | 94 | 118.8 Ų | 118.8 | 66% | 0.657 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -74.7 | -25.6 | -178.9 | -169 | 0 | 0 | 0 | 0 | 113.3 | A25 A26 | A25-S29 PolarHBondContact O-N 3.39Å; A26-S29 PolarHBondContact O-N 3.04Å |
| 30 | T | 57.6 | Low | 55.1 | Low | 101 Ų | 101 | 115.4 Ų | 115.4 | 62% | 0.62 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -7 | -173.5 | 55.8 | 0 | 0 | 0 | 0 | 114.8 | C27 | C27-T30 PolarHBondContact O-OG1 3.37Š|
| 31 | R | 49.8 | Very low | 55.4 | Low | 222 Ų | 222 | 122.6 Ų | 122.6 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 28.1 | -178.8 | -151.7 | 179.7 | -173.9 | 170.4 | 2.1 | 114 | | |
| 32 | A | 52.7 | Low | 55.5 | Low | 87 Ų | 87 | 126.3 Ų | 126.3 | 72% | 0.719 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -124.7 | -0.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 33 | T | 53.6 | Low | 55.8 | Low | 126 Ų | 126 | 130.9 Ų | 130.9 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -122.9 | 5.2 | -176.4 | 52.3 | 0 | 0 | 0 | 0 | 115.2 | G35 | T33-G35 PolarHBondContact O-N 3.24Š|
| 34 | C | 47.3 | Very low | 56 | Low | 113 Ų | 113 | 136.2 Ų | 136.2 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -86.7 | 83.8 | 166.7 | 54.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 35 | G | 53.3 | Low | 56.3 | Low | 62 Ų | 62 | 138.9 Ų | 138.9 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | trans | 133.2 | 88.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | T33 | T33-G35 PolarHBondContact O-N 3.24Š|
| 36 | R | 50.3 | Low | 56.2 | Low | 255 Ų | 255 | 145 Ų | 145 | 96% | 0.962 | 77% | 0.773 | S | S | * | * | | | trans | 169.3 | 92.7 | 144.9 | -98.8 | 177 | -77.9 | -156.5 | 1.8 | 105.4 | | |
| 37 | G | 51.6 | Low | 56.2 | Low | 83 Ų | 83 | 154.2 Ų | 154.2 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | | 94.7 | 114.6 | 68.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 38 | G | 52.5 | Low | 56.6 | Low | 74 Ų | 74 | 158 Ų | 158 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | trans | 107.1 | 97.5 | 158 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 39 | T | 58.7 | Low | 56.5 | Low | 142 Ų | 142 | 157.2 Ų | 157.2 | 87% | 0.871 | 83% | 0.832 | S | S | * | * | | | trans | 12.5 | 115.2 | 151.2 | 53.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 40 | A | 57.9 | Low | 56.7 | Low | 105 Ų | 105 | 160.7 Ų | 160.7 | 87% | 0.868 | 84% | 0.841 | S | S | * | * | | | trans | -128.4 | 71.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | R42 | A40-R42 PolarHBondContact O-N 3.3Š|
| 41 | R | 64 | Low | 56.7 | Low | 240 Ų | 240 | 164.2 Ų | 164.2 | 91% | 0.906 | 85% | 0.854 | S | S | * | * | | | trans | -56.7 | 119.1 | 151.7 | -98.5 | -179 | 171.2 | -133.6 | 1.1 | 107.3 | | |
| 42 | R | 61.6 | Low | 57.1 | Low | 211 Ų | 211 | 160.6 Ų | 160.6 | 80% | 0.796 | 86% | 0.855 | S | S | * | * | | | trans | -178.8 | 97.3 | 141.1 | -98.9 | 168.1 | -150 | -92.3 | 5.2 | 107.8 | A40 | A40-R42 PolarHBondContact O-N 3.3Š|
| 43 | Q | 65.5 | Low | 57.4 | Low | 165 Ų | 165 | 165.5 Ų | 165.5 | 77% | 0.771 | 86% | 0.864 | S | S | * | * | | | | 66.6 | 82.7 | 110.1 | -67.5 | -153.5 | 54.5 | 0 | 0 | 113.9 | | |
| 44 | Y | 63.7 | Low | 57.6 | Low | 239 Ų | 239 | 168.4 Ų | 168.4 | 94% | 0.937 | 87% | 0.871 | S | S | * | * | | | trans | -122.4 | 60.1 | 147.6 | -62.3 | -76.4 | 0 | 0 | 0 | 108.6 | | |
| 45 | R | 65.6 | Low | 58.4 | Low | 227 Ų | 227 | 172.6 Ų | 172.6 | 86% | 0.857 | 88% | 0.879 | S | S | * | * | | | trans | -105.9 | 97.6 | 151.9 | -177.2 | -174.5 | -170.9 | -166.5 | 3 | 103.3 | | |
| 46 | Q | 58.1 | Low | 58.9 | Low | 189 Ų | 189 | 181.8 Ų | 181.8 | 88% | 0.883 | 90% | 0.899 | S | S | * | * | | | trans | 162.3 | 85.4 | 151.1 | -70.9 | -129.8 | 92.4 | 0 | 0 | 108.7 | | |
| 47 | L | 57 | Low | 59.6 | Low | 252 Ų | 252 | 175.2 Ų | 175.2 | 100% | 1.319 | 89% | 0.893 | S | S | * | * | | | trans | -149.8 | 0 | 134.2 | -86.8 | 176.9 | 0 | 0 | 0 | 106.7 | | |