| 1 | M | 37 | Very low | 58.4 | Low | 240 Ų | 240 | 141.5 Ų | 141.5 | 100% | 1.182 | 74% | 0.741 | S | S | * | * | | | | 0 | 106.5 | 0 | -62.3 | -55.2 | -171.1 | 0 | 0 | 106.9 | E3 | M1-E3 PolarHBondContact O-N 3.23Š|
| 2 | S | 47.2 | Very low | 58.8 | Low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | | | trans | -78.6 | 104.4 | 175.8 | -82.6 | 0 | 0 | 0 | 0 | 108.2 | K4 | S2-K4 PolarHBondContact O-N 3.26Š|
| 3 | E | 56 | Low | 59.1 | Low | 186 Ų | 186 | 135.8 Ų | 135.8 | 87% | 0.869 | 71% | 0.711 | S | S | * | * | | | trans | -64 | 112.3 | 168.5 | -162.8 | 111.9 | 75.6 | 0 | 0 | 107.8 | M1 K5 | M1-E3 PolarHBondContact O-N 3.23Å; E3-K5 PolarHBondContact O-N 3.3Å |
| 4 | K | 54.2 | Low | 59.4 | Low | 177 Ų | 177 | 134.9 Ų | 134.9 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | | | trans | -75.4 | 105.7 | 170.7 | -66.8 | -171.9 | 178.1 | 77.6 | 0 | 106.4 | S2 Q6 | S2-K4 PolarHBondContact O-N 3.26Å; K4-Q6 PolarHBondContact O-N 3.1Å |
| 5 | K | 60.4 | Low | 59.7 | Low | 202 Ų | 202 | 135.7 Ų | 135.7 | 88% | 0.878 | 70% | 0.7 | S | S | * | * | | | trans | -51.5 | 107.2 | 165.2 | -103.8 | 172.2 | 170.8 | 158.4 | 0 | 107 | E3 | E3-K5 PolarHBondContact O-N 3.3Š|
| 6 | Q | 64.3 | Low | 59.9 | Low | 158 Ų | 158 | 135.9 Ų | 135.9 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | | | trans | -54.8 | 131.8 | 167.5 | -61.6 | -80.1 | -66.6 | 0 | 0 | 105.9 | K4 V8 | K4-Q6 PolarHBondContact O-N 3.1Å; Q6-V8 PolarHBondContact O-N 2.86Å |
| 7 | P | 62.1 | Low | 60.5 | Low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | | | trans | -59.8 | 111.9 | 169.8 | 26.3 | -30.5 | 0 | 0 | 0 | 106.1 | D9 | P7-D9 PolarHBondContact O-N 3.31Š|
| 8 | V | 67.3 | Low | 61.7 | Low | 102 Ų | 102 | 137.6 Ų | 137.6 | 62% | 0.618 | 71% | 0.709 | S | S | * | * | | | trans | -62.5 | 123.4 | 172.7 | 179.6 | 0 | 0 | 0 | 0 | 105.6 | Q6 L10 L13 | Q6-V8 PolarHBondContact O-N 2.86Å; V8-L10 PolarHBondContact O-N 3.02Å; V8-L13 HydrophobicContact CG1-CD1 3.51Å |
| 9 | D | 67.4 | Low | 62.5 | Low | 116 Ų | 116 | 138.9 Ų | 138.9 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | | | trans | -71.3 | 98.2 | -180 | -167.9 | 11.1 | 0 | 0 | 0 | 108.1 | P7 G11 L12 | P7-D9 PolarHBondContact O-N 3.31Å; D9-G11 PolarHBondContact O-N 2.97Å; D9-L12 PolarHBondContact O-N 3.27Å |
| 10 | L | 61.2 | Low | 63.3 | Low | 106 Ų | 106 | 139.7 Ų | 139.7 | 56% | 0.555 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -24 | -172.5 | -65.8 | 172 | 0 | 0 | 0 | 112.1 | V8 L12 L13 E14 | V8-L10 PolarHBondContact O-N 3.02Å; L10-L12 PolarHBondContact O-N 3.15Å; L10-L13 HydrophobicContact CD2-CD1 4.23Å; L10-L13 PolarHBondContact O-N 3.44Å; L10-L13 VanDerWaalsContact O-N 3.1Å; L10-E14 WeakPolarHBondContact O-CB 3.26Å; L10-E14 VanDerWaalsContact O-CG 3.26Å; L10-E14 WeakPolarHBondContact O-CG 3.45Å; L10-E14 PolarHBondContact O-N 3.22Å |
| 11 | G | 64.9 | Low | 64 | Low | 28 Ų | 28 | 142.6 Ų | 142.6 | 29% | 0.289 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -60.7 | -34.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D9 L13 E14 E15 | D9-G11 PolarHBondContact O-N 2.97Å; G11-L13 VanDerWaalsContact C-N 3.3Å; G11-L13 PolarHBondContact O-N 2.92Å; G11-E14 PolarHBondContact O-N 3.3Å; G11-E15 VanDerWaalsContact O-CG 3.29Å; G11-E15 WeakPolarHBondContact O-CG 3.29Å; G11-E15 PolarHBondContact O-N 3.21Å; G11-E15 VanDerWaalsContact O-N 3.15Å |
| 12 | L | 63.7 | Low | 65.9 | Low | 122 Ų | 122 | 137.8 Ų | 137.8 | 64% | 0.639 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -75.6 | -18.5 | 178.2 | -126.1 | 119.9 | 0 | 0 | 0 | 113.6 | D9 L10 | D9-L12 PolarHBondContact O-N 3.27Å; L10-L12 PolarHBondContact O-N 3.15Å |
| 13 | L | 63 | Low | 67.5 | Low | 87 Ų | 87 | 137.5 Ų | 137.5 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -91.9 | -34.9 | 174.4 | -72.5 | 164.4 | 0 | 0 | 0 | 110.9 | V8 L10 G11 E15 D16 D17 | V8-L13 HydrophobicContact CG1-CD1 3.51Å; L10-L13 HydrophobicContact CD2-CD1 4.23Å; L10-L13 PolarHBondContact O-N 3.44Å; L10-L13 VanDerWaalsContact O-N 3.1Å; G11-L13 VanDerWaalsContact C-N 3.3Å; G11-L13 PolarHBondContact O-N 2.92Å; L13-E15 VanDerWaalsContact C-N 3.27Å; L13-E15 PolarHBondContact O-N 3.37Å; L13-D16 PolarHBondContact O-N 3.49Å; L13-D16 VanDerWaalsContact O-N 3.17Å; L13-D17 PolarHBondContact O-N 3.4Å |
| 14 | E | 62.8 | Low | 68.4 | Low | 122 Ų | 122 | 133.4 Ų | 133.4 | 57% | 0.57 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -62.1 | -36.3 | 173.6 | -73 | 168.3 | -163.5 | 0 | 0 | 111 | L10 G11 D16 D17 E18 | L10-E14 WeakPolarHBondContact O-CB 3.26Å; L10-E14 VanDerWaalsContact O-CG 3.26Å; L10-E14 WeakPolarHBondContact O-CG 3.45Å; L10-E14 PolarHBondContact O-N 3.22Å; G11-E14 PolarHBondContact O-N 3.3Å; E14-D16 VanDerWaalsContact C-N 3.3Å; E14-D16 PolarHBondContact O-N 3.05Å; E14-D17 PolarHBondContact O-N 3.36Å; E14-E18 WeakPolarHBondContact O-CB 3.4Å; E14-E18 PolarHBondContact O-N 3.29Å |
| 15 | E | 63.7 | Low | 69.3 | Low | 147 Ų | 147 | 131.7 Ų | 131.7 | 69% | 0.687 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -64.9 | -24.2 | 173.7 | -73.1 | 170.9 | -150.8 | 0 | 0 | 114.3 | G11 L13 | G11-E15 VanDerWaalsContact O-CG 3.29Å; G11-E15 WeakPolarHBondContact O-CG 3.29Å; G11-E15 PolarHBondContact O-N 3.21Å; G11-E15 VanDerWaalsContact O-N 3.15Å; L13-E15 VanDerWaalsContact C-N 3.27Å; L13-E15 PolarHBondContact O-N 3.37Å |
| 16 | D | 62.9 | Low | 69.7 | Low | 140 Ų | 140 | 129.6 Ų | 129.6 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -88.9 | -22.7 | 178.9 | -161.3 | 37.6 | 0 | 0 | 0 | 112 | L13 E14 | L13-D16 PolarHBondContact O-N 3.49Å; L13-D16 VanDerWaalsContact O-N 3.17Å; E14-D16 VanDerWaalsContact C-N 3.3Å; E14-D16 PolarHBondContact O-N 3.05Å |
| 17 | D | 70.7 | Confident | 69.6 | Low | 148 Ų | 148 | 130.5 Ų | 130.5 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -89.6 | -18.3 | 174.3 | -81 | -26.4 | 0 | 0 | 0 | 112.7 | L13 E14 F19 | L13-D17 PolarHBondContact O-N 3.4Å; E14-D17 PolarHBondContact O-N 3.36Å; D17-F19 PolarHBondContact O-N 3.46Å |
| 18 | E | 81.4 | Confident | 69.6 | Low | 153 Ų | 153 | 128.7 Ų | 128.7 | 72% | 0.715 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -86.5 | 91.6 | 178.5 | -163.5 | 158.4 | -158.5 | 0 | 0 | 110.5 | E14 E20 | E14-E18 WeakPolarHBondContact O-CB 3.4Å; E14-E18 PolarHBondContact O-N 3.29Å; E18-E20 PolarHBondContact O-N 3.17Å |
| 19 | F | 77.2 | Confident | 69.1 | Low | 164 Ų | 164 | 126.9 Ų | 126.9 | 72% | 0.719 | 67% | 0.674 | S | S | * | * | | | trans | -51.5 | 131.7 | 178.6 | -172 | -102.5 | 0 | 0 | 0 | 112 | D17 E21 F22 | D17-F19 PolarHBondContact O-N 3.46Å; F19-E21 PolarHBondContact O-N 3.26Å; F19-F22 HydrophobicContact CD1-CD2 4.43Å; F19-F22 AromaticContact CE1-CD2 3.5Å; F19-F22 HydrophobicContact CE1-CD2 3.5Å; F19-F22 AromaticContact CE1-CE2 3.94Å; F19-F22 HydrophobicContact CE1-CE2 3.94Å; F19-F22 HydrophobicContact CE2-CE2 4.15Å; F19-F22 AromaticContact CZ-CD2 3.54Å; F19-F22 HydrophobicContact CZ-CD2 3.54Å; F19-F22 AromaticContact CZ-CE2 3.59Å; F19-F22 HydrophobicContact CZ-CE2 3.59Å |
| 20 | E | 78.1 | Confident | 68.6 | Low | 154 Ų | 154 | 128.5 Ų | 128.5 | 72% | 0.72 | 68% | 0.682 | S | S | * | * | | | trans | -60.6 | 125.8 | 173.9 | -66.4 | -173.5 | -160.9 | 0 | 0 | 110.1 | E18 F22 | E18-E20 PolarHBondContact O-N 3.17Å; E20-F22 HydrophobicContact CB-CE2 4.28Å; E20-F22 WeakPolarHBondContact O-CD2 3.12Å; E20-F22 PolarHBondContact O-N 3.33Å |
| 21 | E | 77.8 | Confident | 68.4 | Low | 200 Ų | 200 | 128.3 Ų | 128.3 | 94% | 0.935 | 68% | 0.681 | S | S | * | * | | | trans | -65.1 | 99.5 | 174.9 | -81 | -174.3 | 173.6 | 0 | 0 | 110.2 | F19 | F19-E21 PolarHBondContact O-N 3.26Š|
| 22 | F | 76.6 | Confident | 68 | Low | 140 Ų | 140 | 135.2 Ų | 135.2 | 61% | 0.614 | 71% | 0.706 | S | S | * | * | | | trans | -70.3 | 146.7 | 170.2 | -73.7 | -91.9 | 0 | 0 | 0 | 110.3 | F19 E20 A24 | F19-F22 HydrophobicContact CD1-CD2 4.43Å; F19-F22 AromaticContact CE1-CD2 3.5Å; F19-F22 HydrophobicContact CE1-CD2 3.5Å; F19-F22 AromaticContact CE1-CE2 3.94Å; F19-F22 HydrophobicContact CE1-CE2 3.94Å; F19-F22 HydrophobicContact CE2-CE2 4.15Å; F19-F22 AromaticContact CZ-CD2 3.54Å; F19-F22 HydrophobicContact CZ-CD2 3.54Å; F19-F22 AromaticContact CZ-CE2 3.59Å; F19-F22 HydrophobicContact CZ-CE2 3.59Å; E20-F22 HydrophobicContact CB-CE2 4.28Å; E20-F22 WeakPolarHBondContact O-CD2 3.12Å; E20-F22 PolarHBondContact O-N 3.33Å; F22-A24 PolarHBondContact O-N 2.9Å |
| 23 | P | 81.9 | Confident | 67.6 | Low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 70% | 0.703 | S | S | * | * | | | trans | -54.8 | 136 | 171.2 | 24.3 | -32.7 | 0 | 0 | 0 | 109.3 | E25 | P23-E25 PolarHBondContact O-N 2.96Š|
| 24 | A | 74.6 | Confident | 67.4 | Low | 100 Ų | 100 | 137.5 Ų | 137.5 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | | | trans | -59.3 | 111 | 173 | 0 | 0 | 0 | 0 | 0 | 108.2 | F22 D26 | F22-A24 PolarHBondContact O-N 2.9Å; A24-D26 PolarHBondContact O-N 2.84Å |
| 25 | E | 73.7 | Confident | 67.1 | Low | 141 Ų | 141 | 136 Ų | 136 | 66% | 0.659 | 71% | 0.71 | S | S | * | * | | | trans | -72.4 | 124.9 | 169.3 | -172.4 | 131.7 | -127.6 | 0 | 0 | 107.3 | P23 W27 | P23-E25 PolarHBondContact O-N 2.96Å; E25-W27 PolarHBondContact O-N 3.48Å |
| 26 | D | 68.4 | Low | 66.8 | Low | 157 Ų | 157 | 131.3 Ų | 131.3 | 84% | 0.84 | 70% | 0.697 | S | S | * | * | | | trans | -70.3 | 82.5 | 171.3 | -85.6 | -38.5 | 0 | 0 | 0 | 107.3 | A24 A28 | A24-D26 PolarHBondContact O-N 2.84Å; D26-A28 PolarHBondContact O-N 2.72Å |
| 27 | W | 62.7 | Low | 66.7 | Low | 177 Ų | 177 | 129 Ų | 129 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | | | trans | -66.5 | 69.1 | 170.8 | -67.6 | 94 | 0 | 0 | 0 | 109.4 | E25 G29 | E25-W27 PolarHBondContact O-N 3.48Å; W27-G29 PolarHBondContact O-N 2.76Å |
| 28 | A | 61.9 | Low | 66.3 | Low | 85 Ų | 85 | 125.8 Ų | 125.8 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | | | trans | -72.7 | 67 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | D26 L30 | D26-A28 PolarHBondContact O-N 2.72Å; A28-L30 PolarHBondContact O-N 3.13Å |
| 29 | G | 56.8 | Low | 65.6 | Low | 64 Ų | 64 | 128.6 Ų | 128.6 | 66% | 0.66 | 67% | 0.672 | S | S | * | * | | | trans | 46.2 | 38.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | W27 D31 | W27-G29 PolarHBondContact O-N 2.76Å; G29-D31 PolarHBondContact O-N 2.95Å; G29-D31 VanDerWaalsContact O-N 3.13Å |
| 30 | L | 57.5 | Low | 64.8 | Low | 149 Ų | 149 | 127.4 Ų | 127.4 | 78% | 0.78 | 67% | 0.668 | S | S | * | * | | | trans | -70 | 106.2 | 163.4 | -85 | 161.8 | 0 | 0 | 0 | 105.3 | A28 E32 | A28-L30 PolarHBondContact O-N 3.13Å; L30-E32 PolarHBondContact O-N 3.25Å |
| 31 | D | 55.6 | Low | 64.2 | Low | 103 Ų | 103 | 125.2 Ų | 125.2 | 55% | 0.551 | 66% | 0.661 | S | S | * | * | | | trans | 7.5 | 93.8 | 176 | -72.8 | -67.4 | 0 | 0 | 0 | 114.4 | G29 D33 E34 | G29-D31 PolarHBondContact O-N 2.95Å; G29-D31 VanDerWaalsContact O-N 3.13Å; D31-D33 PolarHBondContact O-N 2.96Å; D31-E34 HydrophobicContact CB-CG 4.3Å; D31-E34 PolarHBondContact O-N 3.38Å |
| 32 | E | 56.7 | Low | 63.5 | Low | 172 Ų | 172 | 121.5 Ų | 121.5 | 80% | 0.804 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -52.1 | -17.2 | 169.6 | -71.9 | 176.1 | 175.8 | 0 | 0 | 112.3 | L30 | L30-E32 PolarHBondContact O-N 3.25Å |
| 33 | D | 56.3 | Low | 63.2 | Low | 108 Ų | 108 | 125.7 Ų | 125.7 | 58% | 0.578 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.3 | -36.6 | 176.2 | -59.8 | -45.7 | 0 | 0 | 0 | 112.6 | D31 H37 | D31-D33 PolarHBondContact O-N 2.96Å; D33-H37 PolarHBondContact O-CD2 2.91Å; D33-H37 VanDerWaalsContact O-CG 3.26Å; D33-H37 PolarHBondContact O-N 3.44Å; D33-H37 PolarHBondContact O-NE2 3.45Å |
| 34 | E | 57.4 | Low | 62.2 | Low | 149 Ų | 149 | 126.7 Ų | 126.7 | 70% | 0.696 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.9 | -36.9 | -176.4 | -70.7 | -143.7 | 150.8 | 0 | 0 | 113.4 | D31 A36 H37 | D31-E34 HydrophobicContact CB-CG 4.3Å; D31-E34 PolarHBondContact O-N 3.38Å; E34-A36 VanDerWaalsContact C-N 3.35Å; E34-H37 PolarHBondContact O-N 3.37Å |
| 35 | D | 57.4 | Low | 61.7 | Low | 90 Ų | 90 | 125.7 Ų | 125.7 | 48% | 0.481 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72.7 | -29.1 | 179.5 | -88.6 | -23.7 | 0 | 0 | 0 | 112.4 | H37 | D35-H37 VanDerWaalsContact C-N 3.34Å |
| 36 | A | 58.2 | Low | 61 | Low | 50 Ų | 50 | 124 Ų | 124 | 41% | 0.413 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.8 | -33.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | E34 V38 W39 | E34-A36 VanDerWaalsContact C-N 3.35Å; A36-V38 VanDerWaalsContact C-N 3.3Å; A36-V38 PolarHBondContact O-N 2.85Å; A36-W39 PolarHBondContact O-N 3.29Å |
| 37 | H | 59.6 | Low | 60.7 | Low | 92 Ų | 92 | 122.5 Ų | 122.5 | 43% | 0.426 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.1 | -28.3 | 179.3 | -67.2 | -39.7 | 0 | 0 | 0 | 113.3 | D33 E34 D35 W39 E40 D41 | D33-H37 PolarHBondContact O-CD2 2.91Å; D33-H37 VanDerWaalsContact O-CG 3.26Å; D33-H37 PolarHBondContact O-N 3.44Å; D33-H37 PolarHBondContact O-NE2 3.45Å; E34-H37 PolarHBondContact O-N 3.37Å; D35-H37 VanDerWaalsContact C-N 3.34Å; H37-W39 VanDerWaalsContact C-N 3.27Å; H37-W39 PolarHBondContact O-N 3.28Å; H37-E40 PolarHBondContact O-N 2.8Å; H37-D41 WeakPolarHBondContact O-CB 3.2Å; H37-D41 PolarHBondContact O-N 3.45Å |
| 38 | V | 63.6 | Low | 60.5 | Low | 80 Ų | 80 | 118.9 Ų | 118.9 | 49% | 0.485 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.7 | -30.3 | -178.9 | -177.2 | 0 | 0 | 0 | 0 | 112.9 | A36 N42 | A36-V38 VanDerWaalsContact C-N 3.3Å; A36-V38 PolarHBondContact O-N 2.85Å; V38-N42 PolarHBondContact O-ND2 3.44Å |
| 39 | W | 66.5 | Low | 60.3 | Low | 212 Ų | 212 | 121.7 Ų | 121.7 | 80% | 0.803 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -89.4 | -30.8 | -177.9 | -64.4 | 89.5 | 0 | 0 | 0 | 113 | A36 H37 | A36-W39 PolarHBondContact O-N 3.29Å; H37-W39 VanDerWaalsContact C-N 3.27Å; H37-W39 PolarHBondContact O-N 3.28Å |
| 40 | E | 60.4 | Low | 60.5 | Low | 139 Ų | 139 | 123 Ų | 123 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -81.7 | -40.7 | 178.3 | -65.7 | -174.4 | 169.8 | 0 | 0 | 111.7 | H37 N42 W43 D44 | H37-E40 PolarHBondContact O-N 2.8Å; E40-N42 VanDerWaalsContact C-N 3.3Å; E40-N42 PolarHBondContact O-N 3.48Å; E40-W43 PolarHBondContact O-N 3.31Å; E40-D44 PolarHBondContact O-N 2.95Å |
| 41 | D | 64.8 | Low | 61 | Low | 107 Ų | 107 | 120.6 Ų | 120.6 | 57% | 0.572 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -26.4 | -175.8 | -74 | -13.7 | 0 | 0 | 0 | 113.6 | H37 | H37-D41 WeakPolarHBondContact O-CB 3.2Å; H37-D41 PolarHBondContact O-N 3.45Å |
| 42 | N | 63 | Low | 61.5 | Low | 122 Ų | 122 | 122.1 Ų | 122.1 | 65% | 0.652 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -5.5 | -174.8 | -70.8 | -46.1 | 0 | 0 | 0 | 114.2 | V38 E40 | V38-N42 PolarHBondContact O-ND2 3.44Å; E40-N42 VanDerWaalsContact C-N 3.3Å; E40-N42 PolarHBondContact O-N 3.48Å |
| 43 | W | 70.1 | Confident | 62.1 | Low | 228 Ų | 228 | 117 Ų | 117 | 86% | 0.864 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -31.6 | 176.9 | -169 | 4.7 | 0 | 0 | 0 | 111.9 | E40 D45 | E40-W43 PolarHBondContact O-N 3.31Å; W43-D45 VanDerWaalsContact C-N 3.3Å |
| 44 | D | 61 | Low | 62.6 | Low | 136 Ų | 136 | 115.6 Ų | 115.6 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -87.3 | 4.6 | 176.3 | -130.5 | -5.7 | 0 | 0 | 0 | 113.1 | E40 D46 | E40-D44 PolarHBondContact O-N 2.95Å; D44-D46 PolarHBondContact O-N 2.88Å |
| 45 | D | 64.4 | Low | 63.4 | Low | 78 Ų | 78 | 115.2 Ų | 115.2 | 42% | 0.417 | 58% | 0.579 | S | S | . | * | | | trans | -77.7 | 55.7 | 172.6 | -161.5 | 16.6 | 0 | 0 | 0 | 111.4 | W43 N47 V48 | W43-D45 VanDerWaalsContact C-N 3.3Å; D45-N47 PolarHBondContact O-N 2.89Å; D45-N47 VanDerWaalsContact OD1-CB 3.28Å; D45-N47 WeakPolarHBondContact OD1-CB 3.33Å; D45-V48 PolarHBondContact O-N 3.12Å; D45-V48 VanDerWaalsContact O-N 3.12Å; D45-V48 WeakPolarHBondContact OD2-CG2 3.28Å |
| 46 | D | 59.5 | Low | 64.1 | Low | 106 Ų | 106 | 117 Ų | 117 | 57% | 0.567 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -12.3 | 170.2 | -85.8 | -21.1 | 0 | 0 | 0 | 112.6 | D44 V48 D50 | D44-D46 PolarHBondContact O-N 2.88Å; D46-V48 VanDerWaalsContact C-N 3.33Å; D46-V48 PolarHBondContact O-N 3.41Å; D46-D50 PolarHBondContact O-N 3.49Å |
| 47 | N | 60.8 | Low | 64.4 | Low | 126 Ų | 126 | 127.6 Ų | 127.6 | 67% | 0.674 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.6 | -24.8 | 178 | -166.6 | 38.1 | 0 | 0 | 0 | 113 | D45 | D45-N47 PolarHBondContact O-N 2.89Å; D45-N47 VanDerWaalsContact OD1-CB 3.28Å; D45-N47 WeakPolarHBondContact OD1-CB 3.33Å |
| 48 | V | 59.4 | Low | 64.7 | Low | 101 Ų | 101 | 129.4 Ų | 129.4 | 61% | 0.612 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.8 | -30.9 | 177.3 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | D45 D46 | D45-V48 PolarHBondContact O-N 3.12Å; D45-V48 VanDerWaalsContact O-N 3.12Å; D45-V48 WeakPolarHBondContact OD2-CG2 3.28Å; D46-V48 VanDerWaalsContact C-N 3.33Å; D46-V48 PolarHBondContact O-N 3.41Å |
| 49 | E | 57.3 | Low | 64.7 | Low | 144 Ų | 144 | 131.9 Ų | 131.9 | 67% | 0.673 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -78.3 | -24.9 | 177.5 | -79.8 | -158.3 | 111.6 | 0 | 0 | 113.8 | S53 | E49-S53 WeakPolarHBondContact O-CB 3.32Å; E49-S53 PolarHBondContact O-N 2.94Å; E49-S53 PolarHBondContact O-OG 3.42Å |
| 50 | D | 61.8 | Low | 64.6 | Low | 91 Ų | 91 | 127.5 Ų | 127.5 | 49% | 0.487 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.5 | -38.5 | 179.9 | -164 | 47.4 | 0 | 0 | 0 | 112.3 | D46 F52 S53 N54 | D46-D50 PolarHBondContact O-N 3.49Å; D50-F52 PolarHBondContact O-N 3.34Å; D50-S53 PolarHBondContact O-N 3.29Å; D50-N54 VanDerWaalsContact O-CB 3.32Å; D50-N54 WeakPolarHBondContact O-CB 3.44Å; D50-N54 PolarHBondContact O-N 3.34Å; D50-N54 PolarHBondContact O-ND2 3.26Å; D50-N54 PolarHBondContact OD1-ND2 3.46Å; D50-N54 PolarHBondContact OD2-ND2 3.46Å |
| 51 | D | 67.9 | Low | 64.9 | Low | 99 Ų | 99 | 126.8 Ų | 126.8 | 53% | 0.529 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.4 | -33.8 | -178.6 | -159.6 | 16.7 | 0 | 0 | 0 | 112.7 | Q55 | D51-Q55 WeakPolarHBondContact O-CG 3.33Å; D51-Q55 PolarHBondContact O-N 2.88Å; D51-Q55 PolarHBondContact O-NE2 3.4Å |
| 52 | F | 64.9 | Low | 64.9 | Low | 134 Ų | 134 | 128.1 Ų | 128.1 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.1 | -40.5 | 172.8 | -172.4 | -101.9 | 0 | 0 | 0 | 111.8 | D50 Q55 L56 | D50-F52 PolarHBondContact O-N 3.34Å; F52-Q55 PolarHBondContact O-N 2.9Å; F52-L56 HydrophobicContact CD1-CD1 3.9Å; F52-L56 HydrophobicContact CE1-CD1 3.47Å; F52-L56 VanDerWaalsContact CE1-CD1 3.47Å; F52-L56 HydrophobicContact CE1-CG 4.47Å; F52-L56 HydrophobicContact CZ-CD1 4.02Å; F52-L56 PolarHBondContact O-N 2.86Å |
| 53 | S | 70.5 | Confident | 65 | Low | 64 Ų | 64 | 128.5 Ų | 128.5 | 45% | 0.448 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.8 | -36.2 | 178.8 | -63 | 0 | 0 | 0 | 0 | 112.6 | E49 D50 Q55 L56 | E49-S53 WeakPolarHBondContact O-CB 3.32Å; E49-S53 PolarHBondContact O-N 2.94Å; E49-S53 PolarHBondContact O-OG 3.42Å; D50-S53 PolarHBondContact O-N 3.29Å; S53-Q55 VanDerWaalsContact C-N 3.31Å; S53-Q55 PolarHBondContact O-N 3.43Å; S53-L56 PolarHBondContact O-N 3.28Å |
| 54 | N | 66.6 | Low | 64.6 | Low | 79 Ų | 79 | 121.4 Ų | 121.4 | 42% | 0.422 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.4 | -28.4 | 175.9 | -76 | -45.5 | 0 | 0 | 0 | 112.8 | D50 | D50-N54 VanDerWaalsContact O-CB 3.32Å; D50-N54 WeakPolarHBondContact O-CB 3.44Å; D50-N54 PolarHBondContact O-N 3.34Å; D50-N54 PolarHBondContact O-ND2 3.26Å; D50-N54 PolarHBondContact OD1-ND2 3.46Å; D50-N54 PolarHBondContact OD2-ND2 3.46Å |
| 55 | Q | 72.8 | Confident | 64.9 | Low | 141 Ų | 141 | 120.2 Ų | 120.2 | 66% | 0.659 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -78 | -21.6 | 174.7 | -71.1 | 173.5 | 43.6 | 0 | 0 | 113.9 | D51 F52 S53 | D51-Q55 WeakPolarHBondContact O-CG 3.33Å; D51-Q55 PolarHBondContact O-N 2.88Å; D51-Q55 PolarHBondContact O-NE2 3.4Å; F52-Q55 PolarHBondContact O-N 2.9Å; S53-Q55 VanDerWaalsContact C-N 3.31Å; S53-Q55 PolarHBondContact O-N 3.43Å |
| 56 | L | 72.4 | Confident | 64.9 | Low | 128 Ų | 128 | 123.8 Ų | 123.8 | 67% | 0.67 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -0.9 | 179.2 | -70.7 | 177 | 0 | 0 | 0 | 113.8 | F52 S53 | F52-L56 HydrophobicContact CD1-CD1 3.9Å; F52-L56 HydrophobicContact CE1-CD1 3.47Å; F52-L56 VanDerWaalsContact CE1-CD1 3.47Å; F52-L56 HydrophobicContact CE1-CG 4.47Å; F52-L56 HydrophobicContact CZ-CD1 4.02Å; F52-L56 PolarHBondContact O-N 2.86Å; S53-L56 PolarHBondContact O-N 3.28Å |
| 57 | R | 65.5 | Low | 65.4 | Low | 272 Ų | 272 | 125.4 Ų | 125.4 | 100% | 1.026 | 62% | 0.617 | S | S | * | * | | | trans | -92.4 | 0 | -175.9 | -138.9 | 176.5 | -176.2 | 155.8 | 2.3 | 113.8 | | |