| 1 | G | 36.6 | Very low | 51 | Low | 134 Ų | 134 | 116.3 Ų | 116.3 | 100% | 1.381 | 86% | 0.855 | S | S | * | * | | | | 0 | 133.8 | 0 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 2 | S | 50.6 | Low | 51.1 | Low | 136 Ų | 136 | 116.9 Ų | 116.9 | 95% | 0.951 | 86% | 0.856 | S | S | * | * | | | trans | -69.6 | 158.4 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 3 | G | 43.3 | Very low | 51.3 | Low | 67 Ų | 67 | 117.1 Ų | 117.1 | 69% | 0.691 | 86% | 0.855 | S | S | * | * | | | trans | 119.4 | 100.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 4 | S | 63.1 | Low | 51.7 | Low | 114 Ų | 114 | 113.7 Ų | 113.7 | 80% | 0.797 | 85% | 0.845 | S | S | * | * | | | | 84.6 | 156.1 | 65 | -167.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 5 | L | 57.8 | Low | 51.9 | Low | 171 Ų | 171 | 115.7 Ų | 115.7 | 90% | 0.895 | 85% | 0.847 | S | S | * | * | | | trans | 92.1 | 108.7 | -178.1 | -47.3 | 178 | 0 | 0 | 0 | 112.4 | | |
| 6 | G | 49.4 | Very low | 52.1 | Low | 76 Ų | 76 | 114.5 Ų | 114.5 | 78% | 0.784 | 84% | 0.844 | S | S | * | * | | | cis | 139.6 | 116 | 19.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 7 | S | 55.7 | Low | 52.2 | Low | 110 Ų | 110 | 114.9 Ų | 114.9 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | | | trans | -68.7 | 164.9 | -172 | -172.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 8 | T | 52 | Low | 52.4 | Low | 121 Ų | 121 | 113.2 Ų | 113.2 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | | | trans | 82.1 | 134.7 | 163.2 | 71.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 9 | T | 51.6 | Low | 52.5 | Low | 131 Ų | 131 | 112.1 Ų | 112.1 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | | | cis | -164.3 | 166.5 | 28 | -23.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 10 | P | 56.9 | Low | 52.6 | Low | 121 Ų | 121 | 112.8 Ų | 112.8 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | | | trans | -94.8 | 159 | -154.5 | 38.9 | -33.4 | 0 | 0 | 0 | 114.7 | | |
| 11 | A | 44.4 | Very low | 52.8 | Low | 98 Ų | 98 | 115 Ų | 115 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | | | trans | -134.4 | 119.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 12 | S | 51.3 | Low | 53.6 | Low | 124 Ų | 124 | 113 Ų | 113 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | trans | -23.6 | 128.6 | 174.3 | -171.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 13 | S | 54.6 | Low | 54 | Low | 119 Ų | 119 | 112.1 Ų | 112.1 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -147.4 | 112.1 | 163.2 | -72.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 14 | G | 56.2 | Low | 54.5 | Low | 70 Ų | 70 | 112.8 Ų | 112.8 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | 74.8 | 111.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | A16 | G14-A16 PolarHBondContact O-N 2.78Å; G14-A16 VanDerWaalsContact O-N 3.13Å |
| 15 | T | 55.5 | Low | 54.5 | Low | 143 Ų | 143 | 114.4 Ų | 114.4 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -44.1 | 112.3 | 158.1 | -49.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 16 | A | 54.2 | Low | 54.6 | Low | 97 Ų | 97 | 114 Ų | 114 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -112.7 | 101.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | G14 | G14-A16 PolarHBondContact O-N 2.78Å; G14-A16 VanDerWaalsContact O-N 3.13Å |
| 17 | T | 54.9 | Low | 55 | Low | 122 Ų | 122 | 112.8 Ų | 112.8 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -43.2 | 133.8 | 173.7 | -51.5 | 0 | 0 | 0 | 0 | 110.9 | A19 | T17-A19 PolarHBondContact O-N 2.8Š|
| 18 | A | 54.2 | Low | 55.3 | Low | 84 Ų | 84 | 112.3 Ų | 112.3 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | | | trans | -40 | 134 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | T20 | A18-T20 PolarHBondContact O-N 2.76Š|
| 19 | A | 55.6 | Low | 55.5 | Low | 92 Ų | 92 | 112.1 Ų | 112.1 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | trans | -44.2 | 102.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T17 N21 | T17-A19 PolarHBondContact O-N 2.8Å; A19-N21 PolarHBondContact O-N 2.79Å; A19-N21 VanDerWaalsContact O-N 3.1Å |
| 20 | T | 53.2 | Low | 55.8 | Low | 125 Ų | 125 | 109.1 Ų | 109.1 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | | | trans | -69.8 | 104.9 | 168.7 | 39.8 | 0 | 0 | 0 | 0 | 106.3 | A18 A22 | A18-T20 PolarHBondContact O-N 2.76Å; T20-A22 PolarHBondContact O-N 3.47Å |
| 21 | N | 58.1 | Low | 55.9 | Low | 160 Ų | 160 | 111.7 Ų | 111.7 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | | | trans | -56.1 | 89.3 | 170.9 | -72.6 | -26.8 | 0 | 0 | 0 | 108.9 | A19 S23 | A19-N21 PolarHBondContact O-N 2.79Å; A19-N21 VanDerWaalsContact O-N 3.1Å; N21-S23 PolarHBondContact O-N 2.92Å; N21-S23 VanDerWaalsContact O-N 3.12Å |
| 22 | A | 52.9 | Low | 56.7 | Low | 92 Ų | 92 | 114.8 Ų | 114.8 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | trans | -69 | 107.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | T20 A24 | T20-A22 PolarHBondContact O-N 3.47Å; A22-A24 VanDerWaalsContact C-N 3.27Å; A22-A24 PolarHBondContact O-N 2.69Å |
| 23 | S | 58.1 | Low | 57.2 | Low | 118 Ų | 118 | 116.5 Ų | 116.5 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | trans | -54.8 | 89 | 164.5 | 58.2 | 0 | 0 | 0 | 0 | 109.8 | N21 D25 | N21-S23 PolarHBondContact O-N 2.92Å; N21-S23 VanDerWaalsContact O-N 3.12Å; S23-D25 VanDerWaalsContact C-N 3.29Å; S23-D25 PolarHBondContact O-N 3.37Å |
| 24 | A | 55.6 | Low | 57.3 | Low | 81 Ų | 81 | 113.1 Ų | 113.1 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | | | trans | -89.9 | 87.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 105 | A22 L26 | A22-A24 VanDerWaalsContact C-N 3.27Å; A22-A24 PolarHBondContact O-N 2.69Å; A24-L26 PolarHBondContact O-N 2.73Å |
| 25 | D | 63.1 | Low | 57.2 | Low | 148 Ų | 148 | 119.6 Ų | 119.6 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | | | trans | 3.6 | 85.1 | 158.9 | -171.5 | 34.1 | 0 | 0 | 0 | 112.9 | S23 G27 | S23-D25 VanDerWaalsContact C-N 3.29Å; S23-D25 PolarHBondContact O-N 3.37Å; D25-G27 PolarHBondContact O-N 2.77Å |
| 26 | L | 59.9 | Low | 57.2 | Low | 162 Ų | 162 | 119 Ų | 119 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | | | trans | -70.8 | 73.4 | 163 | -62.6 | 177.6 | 0 | 0 | 0 | 105.2 | A24 S28 | A24-L26 PolarHBondContact O-N 2.73Å; L26-S28 PolarHBondContact O-N 2.88Å |
| 27 | G | 56.5 | Low | 57.2 | Low | 51 Ų | 51 | 118.4 Ų | 118.4 | 53% | 0.526 | 71% | 0.708 | S | S | . | * | | | trans | -49.5 | 103.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 104.8 | D25 P29 | D25-G27 PolarHBondContact O-N 2.77Å; G27-P29 WeakPolarHBondContact O-CD 3.47Å; G27-P29 VanDerWaalsContact O-N 3.08Å |
| 28 | S | 61.8 | Low | 57.2 | Low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | | | trans | -54 | 123.6 | 179.9 | -65.1 | 0 | 0 | 0 | 0 | 104.6 | L26 S30 | L26-S28 PolarHBondContact O-N 2.88Å; S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 2.84Å |
| 29 | P | 57.9 | Low | 57.4 | Low | 116 Ų | 116 | 118.2 Ų | 118.2 | 75% | 0.753 | 70% | 0.695 | S | S | * | * | | | trans | -56.9 | 110.7 | 166.5 | 25.3 | -29.5 | 0 | 0 | 0 | 103.2 | G27 L31 | G27-P29 WeakPolarHBondContact O-CD 3.47Å; G27-P29 VanDerWaalsContact O-N 3.08Å; P29-L31 VanDerWaalsContact C-N 3.32Å; P29-L31 PolarHBondContact O-N 2.76Å |
| 30 | S | 56.9 | Low | 57.5 | Low | 69 Ų | 69 | 118.1 Ų | 118.1 | 48% | 0.483 | 68% | 0.681 | S | S | . | * | | | trans | -56.3 | 104.3 | -170.8 | -168.8 | 0 | 0 | 0 | 0 | 106.2 | S28 Q32 | S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 2.84Å; S30-Q32 PolarHBondContact O-N 3.12Å; S30-Q32 WeakPolarHBondContact OG-CB 3.43Å |
| 31 | L | 58.3 | Low | 57.9 | Low | 175 Ų | 175 | 118.4 Ų | 118.4 | 92% | 0.916 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 39.7 | 173.9 | -84.8 | 171.6 | 0 | 0 | 0 | 109.2 | P29 | P29-L31 VanDerWaalsContact C-N 3.32Å; P29-L31 PolarHBondContact O-N 2.76Å |
| 32 | Q | 62.6 | Low | 58 | Low | 163 Ų | 163 | 113 Ų | 113 | 76% | 0.762 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -1.6 | -177 | -61 | -153.2 | -33.6 | 0 | 0 | 112.6 | S30 | S30-Q32 PolarHBondContact O-N 3.12Å; S30-Q32 WeakPolarHBondContact OG-CB 3.43Å |
| 33 | H | 60.7 | Low | 58.5 | Low | 159 Ų | 159 | 113.2 Ų | 113.2 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -111.9 | 128 | 164.9 | -55.1 | 137.8 | 0 | 0 | 0 | 108.5 | | |
| 34 | S | 57 | Low | 58.7 | Low | 48 Ų | 48 | 114.5 Ų | 114.5 | 34% | 0.336 | 64% | 0.639 | S | S | . | * | S | Bend | trans | 87.2 | 27.9 | 161.5 | -150.1 | 0 | 0 | 0 | 0 | 119.2 | D36 D37 S38 | S34-D36 VanDerWaalsContact C-N 3.35Å; S34-D37 WeakPolarHBondContact OG-CB 3.48Å; S34-S38 WeakPolarHBondContact O-CB 3.48Å; S34-S38 PolarHBondContact O-N 2.87Å; S34-S38 PolarHBondContact O-OG 2.83Å; S34-S38 PolarHBondContact OG-N 3.3Å |
| 35 | R | 55 | Low | 59.2 | Low | 206 Ų | 206 | 111.1 Ų | 111.1 | 78% | 0.777 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -76.9 | -31.7 | 154.5 | -151.7 | -175.9 | 79.6 | 177.7 | 2.9 | 111.2 | S38 | R35-S38 PolarHBondContact O-OG 3.21Š|
| 36 | D | 54.5 | Low | 59.5 | Low | 130 Ų | 130 | 111.6 Ų | 111.6 | 70% | 0.695 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -94.1 | -31 | 179.2 | -55.2 | -76.4 | 0 | 0 | 0 | 111.9 | S34 | S34-D36 VanDerWaalsContact C-N 3.35Š|
| 37 | D | 54.8 | Low | 59.8 | Low | 85 Ų | 85 | 110.8 Ų | 110.8 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -77 | -22.6 | 171.6 | -58.9 | -67.1 | 0 | 0 | 0 | 113.4 | S34 L39 D40 L41 | S34-D37 WeakPolarHBondContact OG-CB 3.48Å; D37-L39 PolarHBondContact O-N 3.26Å; D37-D40 PolarHBondContact O-N 3.13Å; D37-L41 HydrophobicContact CB-CD1 3.78Å; D37-L41 HydrophobicContact CB-CG 4.2Å; D37-L41 WeakPolarHBondContact O-CB 3.19Å; D37-L41 WeakPolarHBondContact O-CG 3.13Å; D37-L41 PolarHBondContact O-N 3.41Å |
| 38 | S | 54.8 | Low | 61 | Low | 64 Ų | 64 | 110.9 Ų | 110.9 | 45% | 0.448 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -72.1 | -16.5 | 179.8 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | S34 R35 | S34-S38 WeakPolarHBondContact O-CB 3.48Å; S34-S38 PolarHBondContact O-N 2.87Å; S34-S38 PolarHBondContact O-OG 2.83Å; S34-S38 PolarHBondContact OG-N 3.3Å; R35-S38 PolarHBondContact O-OG 3.21Å |
| 39 | L | 57.9 | Low | 61.9 | Low | 138 Ų | 138 | 109.2 Ų | 109.2 | 72% | 0.723 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -91.5 | -15 | 173.1 | -72.4 | 173.5 | 0 | 0 | 0 | 113.2 | D37 | D37-L39 PolarHBondContact O-N 3.26Š|
| 40 | D | 59.3 | Low | 63 | Low | 90 Ų | 90 | 106.8 Ų | 106.8 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105 | -17.7 | 176.4 | -165 | 28.1 | 0 | 0 | 0 | 113.1 | D37 Q44 | D37-D40 PolarHBondContact O-N 3.13Å; D40-Q44 PolarHBondContact O-NE2 3.19Å; D40-Q44 WeakPolarHBondContact OD1-CG 3.09Å; D40-Q44 PolarHBondContact OD1-NE2 2.62Å |
| 41 | L | 61.1 | Low | 64.2 | Low | 132 Ų | 132 | 109.6 Ų | 109.6 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -93.2 | 1.3 | 177.6 | -64 | 174.8 | 0 | 0 | 0 | 114.1 | D37 | D37-L41 HydrophobicContact CB-CD1 3.78Å; D37-L41 HydrophobicContact CB-CG 4.2Å; D37-L41 WeakPolarHBondContact O-CB 3.19Å; D37-L41 WeakPolarHBondContact O-CG 3.13Å; D37-L41 PolarHBondContact O-N 3.41Å |
| 42 | S | 59 | Low | 65.1 | Low | 45 Ų | 45 | 106 Ų | 106 | 32% | 0.315 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -84.6 | 132.5 | 156.9 | -151.8 | 0 | 0 | 0 | 0 | 106.5 | Q44 R46 | S42-Q44 WeakPolarHBondContact O-CA 3.3Å; S42-Q44 PolarHBondContact O-N 3.32Å; S42-R46 VanDerWaalsContact OG-CB 3.3Å; S42-R46 WeakPolarHBondContact OG-CB 3.34Å; S42-R46 WeakPolarHBondContact OG-CG 3.38Å |
| 43 | P | 63.4 | Low | 66.2 | Low | 97 Ų | 97 | 106.9 Ų | 106.9 | 63% | 0.63 | 54% | 0.539 | S | S | * | . | | | trans | -49.2 | 117.9 | 173.8 | 21.7 | -32 | 0 | 0 | 0 | 107.1 | G45 R46 | P43-G45 PolarHBondContact O-N 3.1Å; P43-R46 HydrophobicContact CG-CG 4.39Å; P43-R46 PolarHBondContact O-N 2.86Å; P43-R46 VanDerWaalsContact O-N 3.13Å |
| 44 | Q | 63.6 | Low | 67.2 | Low | 145 Ų | 145 | 107.4 Ų | 107.4 | 68% | 0.678 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 42.1 | -147.8 | -73.8 | 81.2 | -2.6 | 0 | 0 | 116.5 | D40 S42 | D40-Q44 PolarHBondContact O-NE2 3.19Å; D40-Q44 WeakPolarHBondContact OD1-CG 3.09Å; D40-Q44 PolarHBondContact OD1-NE2 2.62Å; S42-Q44 WeakPolarHBondContact O-CA 3.3Å; S42-Q44 PolarHBondContact O-N 3.32Å |
| 45 | G | 66.2 | Low | 68.5 | Low | 10 Ų | 10 | 113.3 Ų | 113.3 | 10% | 0.103 | 55% | 0.554 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -164.2 | -4.5 | -163.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P43 L47 S48 D49 | P43-G45 PolarHBondContact O-N 3.1Å; G45-L47 PolarHBondContact O-N 3.43Å; G45-S48 VanDerWaalsContact CA-OG 3.26Å; G45-S48 WeakPolarHBondContact CA-OG 3.41Å; G45-S48 CarbonylContact O-C 3.56Å; G45-S48 PolarHBondContact O-N 2.61Å; G45-S48 PolarHBondContact O-OG 2.98Å; G45-D49 VanDerWaalsContact C-OD2 3.23Å; G45-D49 WeakPolarHBondContact CA-OD2 3.46Å; G45-D49 VanDerWaalsContact O-CB 3.23Å; G45-D49 WeakPolarHBondContact O-CB 3.21Å; G45-D49 PolarHBondContact O-N 3.03Å |
| 46 | R | 69.1 | Low | 69.9 | Low | 159 Ų | 159 | 108.8 Ų | 108.8 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -49.7 | -40.4 | -179.1 | -102.9 | -80 | 163.6 | 172.4 | -3.3 | 114.1 | S42 P43 V50 | S42-R46 VanDerWaalsContact OG-CB 3.3Å; S42-R46 WeakPolarHBondContact OG-CB 3.34Å; S42-R46 WeakPolarHBondContact OG-CG 3.38Å; P43-R46 HydrophobicContact CG-CG 4.39Å; P43-R46 PolarHBondContact O-N 2.86Å; P43-R46 VanDerWaalsContact O-N 3.13Å; R46-V50 WeakPolarHBondContact O-CG2 3.26Å; R46-V50 PolarHBondContact O-N 2.71Å |
| 47 | L | 66.4 | Low | 71.3 | Confident | 144 Ų | 144 | 107.8 Ų | 107.8 | 75% | 0.754 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -81.6 | -40 | 175.5 | -64.8 | 175.1 | 0 | 0 | 0 | 112.7 | G45 L51 | G45-L47 PolarHBondContact O-N 3.43Å; L47-L51 VanDerWaalsContact O-CB 3.26Å; L47-L51 WeakPolarHBondContact O-CB 3.13Å; L47-L51 PolarHBondContact O-N 3.43Å |
| 48 | S | 81.6 | Confident | 72.6 | Confident | 54 Ų | 54 | 113.5 Ų | 113.5 | 38% | 0.378 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71 | -33.6 | -179 | 71 | 0 | 0 | 0 | 0 | 112.5 | G45 L51 K52 | G45-S48 VanDerWaalsContact CA-OG 3.26Å; G45-S48 WeakPolarHBondContact CA-OG 3.41Å; G45-S48 CarbonylContact O-C 3.56Å; G45-S48 PolarHBondContact O-N 2.61Å; G45-S48 PolarHBondContact O-OG 2.98Å; S48-L51 CarbonylContact O-C 3.58Å; S48-L51 PolarHBondContact O-N 3.13Å; S48-K52 VanDerWaalsContact C-CE 3.48Å; S48-K52 WeakPolarHBondContact O-CB 3.18Å; S48-K52 WeakPolarHBondContact O-CE 3.22Å; S48-K52 WeakPolarHBondContact O-CG 3.26Å; S48-K52 PolarHBondContact O-N 3.44Å |
| 49 | D | 79.2 | Confident | 73.7 | Confident | 65 Ų | 65 | 118.7 Ų | 118.7 | 35% | 0.348 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.8 | -40.2 | 174.2 | -74.7 | -57.2 | 0 | 0 | 0 | 112.8 | G45 L51 K52 R53 | G45-D49 VanDerWaalsContact C-OD2 3.23Å; G45-D49 WeakPolarHBondContact CA-OD2 3.46Å; G45-D49 VanDerWaalsContact O-CB 3.23Å; G45-D49 WeakPolarHBondContact O-CB 3.21Å; G45-D49 PolarHBondContact O-N 3.03Å; D49-L51 VanDerWaalsContact C-N 3.32Å; D49-K52 WeakPolarHBondContact OD1-CE 3.23Å; D49-K52 IonicContact OD1-NZ 2.61Å; D49-K52 PolarHBondContact OD1-NZ 3.48Å; D49-R53 VanDerWaalsContact O-CB 3.23Å; D49-R53 WeakPolarHBondContact O-CB 3.3Å; D49-R53 VanDerWaalsContact O-CG 3.22Å; D49-R53 WeakPolarHBondContact O-CG 3.26Å; D49-R53 PolarHBondContact O-N 2.88Å; D49-R53 PolarHBondContact O-NE 3.24Å |
| 50 | V | 81.9 | Confident | 74.8 | Confident | 64 Ų | 64 | 114.7 Ų | 114.7 | 39% | 0.388 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64 | -44.6 | 171.3 | 171.6 | 0 | 0 | 0 | 0 | 109.2 | R46 R53 K54 | R46-V50 WeakPolarHBondContact O-CG2 3.26Å; R46-V50 PolarHBondContact O-N 2.71Å; V50-R53 PolarHBondContact O-N 3.36Å; V50-K54 HydrophobicContact CG1-CG 4.46Å; V50-K54 VanDerWaalsContact O-CB 3.26Å; V50-K54 WeakPolarHBondContact O-CB 3.23Å; V50-K54 VanDerWaalsContact O-CG 3.3Å; V50-K54 WeakPolarHBondContact O-CG 3.17Å; V50-K54 PolarHBondContact O-N 3.49Å |
| 51 | L | 80.9 | Confident | 75.9 | Confident | 128 Ų | 128 | 116.6 Ų | 116.6 | 67% | 0.67 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.6 | -37.2 | 177.5 | -171 | 60.6 | 0 | 0 | 0 | 112.9 | L47 S48 D49 R55 | L47-L51 VanDerWaalsContact O-CB 3.26Å; L47-L51 WeakPolarHBondContact O-CB 3.13Å; L47-L51 PolarHBondContact O-N 3.43Å; S48-L51 CarbonylContact O-C 3.58Å; S48-L51 PolarHBondContact O-N 3.13Å; D49-L51 VanDerWaalsContact C-N 3.32Å; L51-R55 WeakPolarHBondContact O-CB 3.34Å; L51-R55 PolarHBondContact O-N 2.72Å |
| 52 | K | 78.8 | Confident | 76.5 | Confident | 100 Ų | 100 | 119.7 Ų | 119.7 | 44% | 0.435 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.5 | -41.4 | 176.3 | -80.2 | 177.8 | -69.4 | 145.3 | 0 | 112 | S48 D49 R55 | S48-K52 VanDerWaalsContact C-CE 3.48Å; S48-K52 WeakPolarHBondContact O-CB 3.18Å; S48-K52 WeakPolarHBondContact O-CE 3.22Å; S48-K52 WeakPolarHBondContact O-CG 3.26Å; S48-K52 PolarHBondContact O-N 3.44Å; D49-K52 WeakPolarHBondContact OD1-CE 3.23Å; D49-K52 IonicContact OD1-NZ 2.61Å; D49-K52 PolarHBondContact OD1-NZ 3.48Å; K52-R55 WeakPolarHBondContact O-CB 3.32Å; K52-R55 PolarHBondContact O-N 2.94Å |
| 53 | R | 84.1 | Confident | 76.9 | Confident | 181 Ų | 181 | 128.5 Ų | 128.5 | 68% | 0.683 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.5 | -31.7 | 176.4 | -72 | -177.3 | -66 | 156.4 | -4 | 112.6 | D49 V50 R55 | D49-R53 VanDerWaalsContact O-CB 3.23Å; D49-R53 WeakPolarHBondContact O-CB 3.3Å; D49-R53 VanDerWaalsContact O-CG 3.22Å; D49-R53 WeakPolarHBondContact O-CG 3.26Å; D49-R53 PolarHBondContact O-N 2.88Å; D49-R53 PolarHBondContact O-NE 3.24Å; V50-R53 PolarHBondContact O-N 3.36Å; R53-R55 VanDerWaalsContact C-N 3.34Å |
| 54 | K | 82.2 | Confident | 76.8 | Confident | 170 Ų | 170 | 127.5 Ų | 127.5 | 74% | 0.739 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -87.8 | -2.8 | 173.2 | -64.5 | -62 | -174.8 | -177.1 | 0 | 113.2 | V50 L56 | V50-K54 HydrophobicContact CG1-CG 4.46Å; V50-K54 VanDerWaalsContact O-CB 3.26Å; V50-K54 WeakPolarHBondContact O-CB 3.23Å; V50-K54 VanDerWaalsContact O-CG 3.3Å; V50-K54 WeakPolarHBondContact O-CG 3.17Å; V50-K54 PolarHBondContact O-N 3.49Å; K54-L56 PolarHBondContact O-N 2.88Å |
| 55 | R | 85.2 | Confident | 76.5 | Confident | 172 Ų | 172 | 126.6 Ų | 126.6 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | | | trans | -68.1 | 110.6 | 174 | -167.2 | 170.4 | 67.7 | -138.5 | 1.3 | 107.9 | L51 K52 R53 | L51-R55 WeakPolarHBondContact O-CB 3.34Å; L51-R55 PolarHBondContact O-N 2.72Å; K52-R55 WeakPolarHBondContact O-CB 3.32Å; K52-R55 PolarHBondContact O-N 2.94Å; R53-R55 VanDerWaalsContact C-N 3.34Å |
| 56 | L | 83.7 | Confident | 76.2 | Confident | 111 Ų | 111 | 135.4 Ų | 135.4 | 58% | 0.581 | 65% | 0.653 | S | S | * | * | | | trans | -52.6 | 142 | 170.3 | -72.2 | 161.1 | 0 | 0 | 0 | 109 | K54 K58 | K54-L56 PolarHBondContact O-N 2.88Å; L56-K58 PolarHBondContact O-N 2.9Å |
| 57 | P | 84.4 | Confident | 75.7 | Confident | 109 Ų | 109 | 135.7 Ų | 135.7 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | | | trans | -46.1 | 136.9 | 165.3 | -25 | 33.4 | 0 | 0 | 0 | 108.3 | R59 | P57-R59 PolarHBondContact O-N 3.19Š|
| 58 | K | 81 | Confident | 74.9 | Confident | 206 Ų | 206 | 132.7 Ų | 132.7 | 90% | 0.896 | 65% | 0.649 | S | S | * | * | | | trans | -50.6 | 109.5 | 179.9 | -76.8 | -178.7 | 175.3 | 173.1 | 0 | 107 | L56 G60 | L56-K58 PolarHBondContact O-N 2.9Å; K58-G60 PolarHBondContact O-N 3.07Å |
| 59 | R | 78.8 | Confident | 73.6 | Confident | 173 Ų | 173 | 142.3 Ų | 142.3 | 65% | 0.653 | 68% | 0.677 | S | S | * | * | | | trans | -54.7 | 130.1 | 178 | -68.5 | -171.1 | 179.9 | -177.8 | 0.5 | 105.4 | P57 | P57-R59 PolarHBondContact O-N 3.19Š|
| 60 | G | 81.8 | Confident | 72.7 | Confident | 54 Ų | 54 | 145 Ų | 145 | 56% | 0.557 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -50.9 | 170.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K58 R62 | K58-G60 PolarHBondContact O-N 3.07Å; G60-R62 PolarHBondContact O-N 2.79Å |
| 61 | P | 81.6 | Confident | 71.5 | Confident | 130 Ų | 130 | 146.5 Ų | 146.5 | 84% | 0.844 | 71% | 0.71 | S | S | * | * | | | trans | -39.9 | 116.4 | -170 | -29.2 | 33.5 | 0 | 0 | 0 | 111.8 | R63 | P61-R63 PolarHBondContact O-N 3.31Š|
| 62 | R | 73 | Confident | 70.5 | Confident | 197 Ų | 197 | 143.5 Ų | 143.5 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -73.4 | 36.6 | -172 | -91.9 | -176.8 | 161.6 | -100.6 | 5.5 | 113 | G60 | G60-R62 PolarHBondContact O-N 2.79Š|
| 63 | R | 67.6 | Low | 69.6 | Low | 230 Ų | 230 | 144.2 Ų | 144.2 | 87% | 0.868 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 100.6 | 134.4 | -162.8 | -60.4 | 157.8 | 179.7 | 173.3 | -0.8 | 109.6 | P61 | P61-R63 PolarHBondContact O-N 3.31Š|
| 64 | A | 62.1 | Low | 68.3 | Low | 75 Ų | 75 | 142 Ų | 142 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | | | cis | -114.9 | 120.6 | 38.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | W66 | A64-W66 VanDerWaalsContact C-N 3.31Š|
| 65 | C | 56.5 | Low | 67.2 | Low | 127 Ų | 127 | 140 Ų | 140 | 86% | 0.858 | 74% | 0.738 | S | S | * | * | | | trans | -87.4 | 6.3 | 168.1 | -166.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 66 | W | 60.1 | Low | 65.3 | Low | 194 Ų | 194 | 140.9 Ų | 140.9 | 74% | 0.735 | 75% | 0.746 | S | S | * | * | | | trans | -123.8 | 20.3 | -162.8 | 65 | -86.8 | 0 | 0 | 0 | 116.5 | A64 | A64-W66 VanDerWaalsContact C-N 3.31Š|
| 67 | K | 59.1 | Low | 63.9 | Low | 165 Ų | 165 | 140.6 Ų | 140.6 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | -132.2 | 59.4 | 171.8 | -65.4 | -157.7 | -179 | -167.9 | 0 | 114.1 | | |
| 68 | S | 49.2 | Very low | 62.2 | Low | 81 Ų | 81 | 137.4 Ų | 137.4 | 57% | 0.566 | 75% | 0.747 | S | S | * | * | | | trans | -145.2 | 108.6 | 150.5 | -44.7 | 0 | 0 | 0 | 0 | 107.8 | T70 | S68-T70 PolarHBondContact O-N 3.03Š|
| 69 | R | 55.3 | Low | 60.7 | Low | 256 Ų | 256 | 135.7 Ų | 135.7 | 97% | 0.966 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -61.6 | -7.1 | 168.7 | 179.9 | 171.4 | -78.6 | -137.3 | -2.4 | 111.9 | | |
| 70 | T | 58.4 | Low | 59.2 | Low | 123 Ų | 123 | 131.4 Ų | 131.4 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -156.1 | 98.4 | -179.8 | 46 | 0 | 0 | 0 | 0 | 109.7 | S68 | S68-T70 PolarHBondContact O-N 3.03Š|
| 71 | S | 56.9 | Low | 57.7 | Low | 94 Ų | 94 | 134.9 Ų | 134.9 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | | | trans | 162.7 | 106 | 148.5 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 72 | G | 60.3 | Low | 56.5 | Low | 66 Ų | 66 | 137.5 Ų | 137.5 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | trans | 49.8 | 142.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 122 | C74 | G72-C74 PolarHBondContact O-N 3.42Š|
| 73 | P | 61.3 | Low | 55.6 | Low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | | | trans | -68.2 | 129.8 | 168.6 | 29.5 | -32.2 | 0 | 0 | 0 | 110.3 | T75 | P73-T75 VanDerWaalsContact C-N 3.32Å; P73-T75 PolarHBondContact O-N 2.76Å |
| 74 | C | 56.2 | Low | 55.1 | Low | 135 Ų | 135 | 134.3 Ų | 134.3 | 91% | 0.912 | 78% | 0.781 | S | S | * | * | | | trans | -68 | 86.6 | 173.4 | -42.9 | 0 | 0 | 0 | 0 | 109.4 | G72 | G72-C74 PolarHBondContact O-N 3.42Š|
| 75 | T | 58 | Low | 54.4 | Low | 127 Ų | 127 | 139.2 Ų | 139.2 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -83.6 | 133.3 | 177.9 | 38.2 | 0 | 0 | 0 | 0 | 111.8 | P73 | P73-T75 VanDerWaalsContact C-N 3.32Å; P73-T75 PolarHBondContact O-N 2.76Å |
| 76 | F | 47 | Very low | 54.3 | Low | 190 Ų | 190 | 139.9 Ų | 139.9 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | | | trans | -78.6 | 111.4 | 176.8 | 177 | -93.7 | 0 | 0 | 0 | 109.4 | | |
| 77 | A | 52.9 | Low | 54 | Low | 105 Ų | 105 | 136.5 Ų | 136.5 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | | | trans | -92.8 | 103.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 78 | G | 49.3 | Very low | 53.8 | Low | 42 Ų | 42 | 135.3 Ų | 135.3 | 43% | 0.433 | 79% | 0.788 | S | S | . | * | | | trans | -111.4 | 111.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 79 | I | 48.9 | Very low | 54.2 | Low | 171 Ų | 171 | 137.6 Ų | 137.6 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | 38.8 | 115.7 | 143.2 | 54.5 | 172.1 | 0 | 0 | 0 | 119.6 | | |
| 80 | G | 47.3 | Very low | 54.1 | Low | 82 Ų | 82 | 132.7 Ų | 132.7 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | -70.7 | 139.5 | 169 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 81 | S | 51.3 | Low | 53.8 | Low | 128 Ų | 128 | 129.9 Ų | 129.9 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | | | trans | -84.6 | 113.4 | 163.4 | -70.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 82 | Q | 55.7 | Low | 53.6 | Low | 184 Ų | 184 | 130.5 Ų | 130.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -108 | 106.5 | 156.4 | -71.7 | -177.8 | 54.5 | 0 | 0 | 105.8 | | |
| 83 | D | 53.5 | Low | 53.4 | Low | 166 Ų | 166 | 135.5 Ų | 135.5 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | | | trans | -174.1 | 83.4 | 157.7 | -90.5 | -42.9 | 0 | 0 | 0 | 108 | | |
| 84 | E | 57.2 | Low | 53.1 | Low | 195 Ų | 195 | 135.4 Ų | 135.4 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | | | trans | -149.3 | 77.3 | 150.8 | -160.9 | 173.6 | 95.9 | 0 | 0 | 108 | | |
| 85 | Q | 48.6 | Very low | 53.1 | Low | 177 Ų | 177 | 133.8 Ų | 133.8 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | | | trans | -91.3 | 117.8 | 166.3 | -81.2 | -84.4 | 66.5 | 0 | 0 | 109.1 | | |
| 86 | L | 54.3 | Low | 52.9 | Low | 141 Ų | 141 | 136 Ų | 136 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | | | trans | 72.3 | 98.4 | 137.3 | -151.9 | 75.2 | 0 | 0 | 0 | 118.7 | | |
| 87 | S | 53.4 | Low | 53.3 | Low | 123 Ų | 123 | 131.6 Ų | 131.6 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -146.7 | 115.3 | 140 | -163.8 | 0 | 0 | 0 | 0 | 110 | | |
| 88 | Q | 54.3 | Low | 53.2 | Low | 140 Ų | 140 | 137 Ų | 137 | 65% | 0.654 | 82% | 0.819 | S | S | * | * | | | trans | -71.9 | 143 | -174.1 | -59.4 | 177.1 | 0.5 | 0 | 0 | 111.8 | N90 | Q88-N90 PolarHBondContact O-N 2.88Š|
| 89 | P | 58.6 | Low | 53.4 | Low | 129 Ų | 129 | 141.8 Ų | 141.8 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | | | trans | -88.1 | 97.8 | 161.5 | 31.9 | -28.6 | 0 | 0 | 0 | 110.5 | | |
| 90 | N | 52.6 | Low | 53.6 | Low | 153 Ų | 153 | 140.3 Ų | 140.3 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | | | trans | -79.4 | 109.9 | 153.1 | -80.1 | -50.7 | 0 | 0 | 0 | 107.7 | Q88 | Q88-N90 PolarHBondContact O-N 2.88Š|
| 91 | G | 52 | Low | 54 | Low | 65 Ų | 65 | 143.5 Ų | 143.5 | 67% | 0.67 | 84% | 0.836 | S | S | * | * | | | trans | -166.9 | 97.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I93 | G91-I93 PolarHBondContact O-N 3.06Š|
| 92 | A | 53.9 | Low | 54.1 | Low | 107 Ų | 107 | 144.4 Ų | 144.4 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | | | trans | -50.9 | 130.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 93 | I | 55.2 | Low | 54 | Low | 170 Ų | 170 | 141.9 Ų | 141.9 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | | | trans | -80.8 | 124.7 | 170.5 | -6.4 | 174.2 | 0 | 0 | 0 | 107.7 | G91 | G91-I93 PolarHBondContact O-N 3.06Š|
| 94 | S | 54.3 | Low | 54.1 | Low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | | | | 152.4 | 93.9 | 124.2 | -165.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 95 | S | 57.3 | Low | 53.9 | Low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | | | trans | -71.4 | 134 | 160.6 | -60.7 | 0 | 0 | 0 | 0 | 110 | | |
| 96 | Q | 54.3 | Low | 54.3 | Low | 175 Ų | 175 | 133.3 Ų | 133.3 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | 70.6 | 155.4 | 144.4 | -63.7 | 180 | 60.2 | 0 | 0 | 117.1 | | |
| 97 | S | 54 | Low | 54.3 | Low | 96 Ų | 96 | 132.7 Ų | 132.7 | 67% | 0.671 | 83% | 0.828 | S | S | * | * | | | cis | 172.2 | 133.4 | -21.2 | 53 | 0 | 0 | 0 | 0 | 104.3 | | |
| 98 | T | 51.3 | Low | 54.3 | Low | 220 Ų | 220 | 133.5 Ų | 133.5 | 100% | 1.35 | 83% | 0.825 | S | S | * | * | | | trans | -153.6 | 0 | 149.7 | -30.9 | 0 | 0 | 0 | 0 | 109.8 | | |