| 1 | M | 60.4 | Low | 73.7 | Confident | 208 Ų | 208 | 102.5 Ų | 102.5 | 100% | 1.025 | 60% | 0.598 | S | S | * | * | | | | 0 | -56 | 0 | -65.4 | -64.5 | 173.5 | 0 | 0 | 111.4 | T3 A4 A5 | M1-T3 PolarHBondContact O-N 3.17Å; M1-A4 PolarHBondContact O-N 3.44Å; M1-A5 PolarHBondContact O-N 3.26Å |
| 2 | L | 66.9 | Low | 73.6 | Confident | 138 Ų | 138 | 107.7 Ų | 107.7 | 72% | 0.723 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.1 | -42.4 | -179.9 | -164.9 | 87.4 | 0 | 0 | 0 | 114.3 | A4 A5 I6 | L2-A4 PolarHBondContact O-N 3.39Å; L2-A5 PolarHBondContact O-N 3.38Å; L2-I6 HydrophobicContact CD2-CD1 4.29Å; L2-I6 HydrophobicContact CG-CD1 4.22Å; L2-I6 WeakPolarHBondContact O-CG1 3.41Å; L2-I6 PolarHBondContact O-N 3.42Å; L2-I6 VanDerWaalsContact O-N 3.17Å |
| 3 | T | 70.5 | Confident | 72.9 | Confident | 101 Ų | 101 | 111.2 Ų | 111.2 | 62% | 0.62 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.2 | -35.4 | -177.4 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | M1 I6 L7 | M1-T3 PolarHBondContact O-N 3.17Å; T3-I6 PolarHBondContact O-N 3.23Å; T3-L7 WeakPolarHBondContact O-CG 3.48Å; T3-L7 PolarHBondContact O-N 3.04Å; T3-L7 VanDerWaalsContact O-N 3.15Å |
| 4 | A | 75.6 | Confident | 72.1 | Confident | 60 Ų | 60 | 108.1 Ų | 108.1 | 50% | 0.496 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69 | -35.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | M1 L2 S8 | M1-A4 PolarHBondContact O-N 3.44Å; L2-A4 PolarHBondContact O-N 3.39Å; A4-S8 PolarHBondContact O-N 3.1Å; A4-S8 VanDerWaalsContact O-N 3.1Å |
| 5 | A | 77.5 | Confident | 70.8 | Confident | 63 Ų | 63 | 104.4 Ų | 104.4 | 52% | 0.521 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.1 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1 L2 S8 A9 | M1-A5 PolarHBondContact O-N 3.26Å; L2-A5 PolarHBondContact O-N 3.38Å; A5-S8 PolarHBondContact O-N 3.43Å; A5-A9 PolarHBondContact O-N 3.46Å |
| 6 | I | 79.9 | Confident | 69.8 | Low | 89 Ų | 89 | 109.6 Ų | 109.6 | 46% | 0.456 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -65.8 | -42.9 | 177.9 | -65.1 | 166.3 | 0 | 0 | 0 | 111.1 | L2 T3 S8 A9 L10 | L2-I6 HydrophobicContact CD2-CD1 4.29Å; L2-I6 HydrophobicContact CG-CD1 4.22Å; L2-I6 WeakPolarHBondContact O-CG1 3.41Å; L2-I6 PolarHBondContact O-N 3.42Å; L2-I6 VanDerWaalsContact O-N 3.17Å; T3-I6 PolarHBondContact O-N 3.23Å; I6-S8 PolarHBondContact O-N 3.04Å; I6-A9 PolarHBondContact O-N 3.36Å; I6-L10 HydrophobicContact CG2-CD1 4.27Å; I6-L10 WeakPolarHBondContact O-CG 3.29Å; I6-L10 PolarHBondContact O-N 3.45Å |
| 7 | L | 78.4 | Confident | 68.5 | Low | 110 Ų | 110 | 108.1 Ų | 108.1 | 58% | 0.576 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -65.3 | -37.5 | 177.5 | -71.2 | 170.7 | 0 | 0 | 0 | 112.4 | T3 L10 L11 | T3-L7 WeakPolarHBondContact O-CG 3.48Å; T3-L7 PolarHBondContact O-N 3.04Å; T3-L7 VanDerWaalsContact O-N 3.15Å; L7-L10 PolarHBondContact O-N 3.48Å; L7-L11 PolarHBondContact O-N 3.4Å; L7-L11 VanDerWaalsContact O-N 3.1Å |
| 8 | S | 76.8 | Confident | 67.4 | Low | 76 Ų | 76 | 106.2 Ų | 106.2 | 53% | 0.531 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -63.4 | -41.4 | 171.8 | -85.6 | 0 | 0 | 0 | 0 | 112.4 | A4 A5 I6 L10 L11 M12 | A4-S8 PolarHBondContact O-N 3.1Å; A4-S8 VanDerWaalsContact O-N 3.1Å; A5-S8 PolarHBondContact O-N 3.43Å; I6-S8 PolarHBondContact O-N 3.04Å; S8-L10 VanDerWaalsContact C-N 3.35Å; S8-L10 PolarHBondContact O-N 3.04Å; S8-L11 PolarHBondContact O-N 3.36Å; S8-M12 VanDerWaalsContact O-CG 3.29Å; S8-M12 WeakPolarHBondContact O-CG 3.45Å; S8-M12 PolarHBondContact O-N 3.45Å |
| 9 | A | 76.5 | Confident | 66.4 | Low | 50 Ų | 50 | 106.3 Ų | 106.3 | 41% | 0.413 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -63.6 | -39.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A5 I6 M12 M13 | A5-A9 PolarHBondContact O-N 3.46Å; I6-A9 PolarHBondContact O-N 3.36Å; A9-M12 PolarHBondContact O-N 3.1Å; A9-M13 WeakPolarHBondContact O-CG 3.44Å; A9-M13 PolarHBondContact O-N 3.05Å |
| 10 | L | 75.8 | Confident | 65.6 | Low | 100 Ų | 100 | 105.5 Ų | 105.5 | 52% | 0.524 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -67 | -39.5 | 176.9 | -69.6 | 171.9 | 0 | 0 | 0 | 112.5 | I6 L7 S8 M13 G14 | I6-L10 HydrophobicContact CG2-CD1 4.27Å; I6-L10 WeakPolarHBondContact O-CG 3.29Å; I6-L10 PolarHBondContact O-N 3.45Å; L7-L10 PolarHBondContact O-N 3.48Å; S8-L10 VanDerWaalsContact C-N 3.35Å; S8-L10 PolarHBondContact O-N 3.04Å; L10-M13 HydrophobicContact CD2-CE 4.17Å; L10-M13 PolarHBondContact O-N 2.92Å; L10-G14 PolarHBondContact O-N 3.41Å |
| 11 | L | 72.9 | Confident | 64.5 | Low | 133 Ų | 133 | 105 Ų | 105 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.2 | -37.1 | 175.7 | -89.6 | 155.4 | 0 | 0 | 0 | 112.6 | L7 S8 G15 | L7-L11 PolarHBondContact O-N 3.4Å; L7-L11 VanDerWaalsContact O-N 3.1Å; S8-L11 PolarHBondContact O-N 3.36Å; L11-G15 PolarHBondContact O-N 3.15Å |
| 12 | M | 71.9 | Confident | 63.6 | Low | 164 Ų | 164 | 99.7 Ų | 99.7 | 81% | 0.808 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.1 | -28.5 | 176.9 | -65 | -63.7 | -78.9 | 0 | 0 | 113 | S8 A9 | S8-M12 VanDerWaalsContact O-CG 3.29Å; S8-M12 WeakPolarHBondContact O-CG 3.45Å; S8-M12 PolarHBondContact O-N 3.45Å; A9-M12 PolarHBondContact O-N 3.1Å |
| 13 | M | 64.7 | Low | 62.3 | Low | 153 Ų | 153 | 100.8 Ų | 100.8 | 75% | 0.754 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -84.2 | -22.1 | 173.5 | -72.3 | -170.1 | -53.9 | 0 | 0 | 113.7 | A9 L10 | A9-M13 WeakPolarHBondContact O-CG 3.44Å; A9-M13 PolarHBondContact O-N 3.05Å; L10-M13 HydrophobicContact CD2-CE 4.17Å; L10-M13 PolarHBondContact O-N 2.92Å |
| 14 | G | 61.5 | Low | 61 | Low | 69 Ų | 69 | 104.7 Ų | 104.7 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -97.7 | 4.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L10 | L10-G14 PolarHBondContact O-N 3.41Š|
| 15 | G | 52.2 | Low | 59.3 | Low | 52 Ų | 52 | 109.4 Ų | 109.4 | 54% | 0.536 | 70% | 0.697 | S | S | . | * | | | trans | -103.4 | 121.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L11 | L11-G15 PolarHBondContact O-N 3.15Š|
| 16 | L | 55.2 | Low | 57.5 | Low | 187 Ų | 187 | 112.5 Ų | 112.5 | 98% | 0.979 | 71% | 0.709 | S | S | * | * | | | trans | 89 | 99.9 | 152 | -140.7 | 77.6 | 0 | 0 | 0 | 118 | | |
| 17 | G | 47.5 | Very low | 55.8 | Low | 84 Ų | 84 | 115.6 Ų | 115.6 | 87% | 0.866 | 72% | 0.719 | S | S | * | * | | | trans | 153.1 | 121.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 18 | G | 48.4 | Very low | 53.9 | Low | 74 Ų | 74 | 113.5 Ų | 113.5 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | | | cis | -171.2 | 152.4 | 1.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | A20 | G18-A20 PolarHBondContact O-N 3.48Å; G18-A20 VanDerWaalsContact O-N 3.16Å |
| 19 | A | 49.1 | Very low | 52.3 | Low | 108 Ų | 108 | 116.8 Ų | 116.8 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | | | trans | -61.7 | 111.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | A21 | A19-A21 PolarHBondContact O-N 3.16Š|
| 20 | A | 49.5 | Very low | 50.7 | Low | 91 Ų | 91 | 119.8 Ų | 119.8 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | -93.1 | 87.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | G18 S22 | G18-A20 PolarHBondContact O-N 3.48Å; G18-A20 VanDerWaalsContact O-N 3.16Å; A20-S22 PolarHBondContact O-N 3.18Å; A20-S22 VanDerWaalsContact O-N 3.16Å |
| 21 | A | 43.3 | Very low | 48.9 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | | | trans | -69 | 101.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | A19 D23 | A19-A21 PolarHBondContact O-N 3.16Å; A21-D23 PolarHBondContact O-N 3.16Å |
| 22 | S | 42.5 | Very low | 47.5 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | trans | -80.6 | 93.4 | 170.8 | -59.2 | 0 | 0 | 0 | 0 | 108.5 | A20 F24 | A20-S22 PolarHBondContact O-N 3.18Å; A20-S22 VanDerWaalsContact O-N 3.16Å; S22-F24 PolarHBondContact O-N 3.17Å |
| 23 | D | 38.5 | Very low | 46.2 | Very low | 161 Ų | 161 | 123.9 Ų | 123.9 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | trans | -75.6 | 93.9 | 176.7 | -147.6 | 4.7 | 0 | 0 | 0 | 109 | A21 H25 | A21-D23 PolarHBondContact O-N 3.16Å; D23-H25 PolarHBondContact O-N 3.18Å; D23-H25 VanDerWaalsContact O-N 3.17Å |
| 24 | F | 43.3 | Very low | 45 | Very low | 184 Ų | 184 | 122.5 Ų | 122.5 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | | | trans | -79.5 | 95.2 | 173.8 | -90.8 | -83.9 | 0 | 0 | 0 | 109.1 | S22 V26 | S22-F24 PolarHBondContact O-N 3.17Å; F24-V26 PolarHBondContact O-N 2.92Å |
| 25 | H | 39.1 | Very low | 44.4 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -62 | 97.2 | 167.1 | 178.3 | -80.2 | 0 | 0 | 0 | 109.8 | D23 F27 | D23-H25 PolarHBondContact O-N 3.18Å; D23-H25 VanDerWaalsContact O-N 3.17Å; H25-F27 PolarHBondContact O-N 2.71Å; H25-F27 VanDerWaalsContact O-N 3.12Å |
| 26 | V | 39.9 | Very low | 43.7 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -65.4 | 107.7 | 170.1 | 174.6 | 0 | 0 | 0 | 0 | 108 | F24 G28 | F24-V26 PolarHBondContact O-N 2.92Å; V26-G28 PolarHBondContact O-N 3.11Å |
| 27 | F | 44.1 | Very low | 43.6 | Very low | 153 Ų | 153 | 129 Ų | 129 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | | | trans | -72.6 | 77 | 172.1 | -162.2 | -97 | 0 | 0 | 0 | 109.5 | H25 K29 | H25-F27 PolarHBondContact O-N 2.71Å; H25-F27 VanDerWaalsContact O-N 3.12Å; F27-K29 HydrophobicContact CD1-CD 4.44Å; F27-K29 HydrophobicContact CD1-CG 4.22Å; F27-K29 HydrophobicContact CE1-CD 3.7Å; F27-K29 HydrophobicContact CE1-CG 3.73Å; F27-K29 HydrophobicContact CZ-CG 4.48Å; F27-K29 PolarHBondContact O-N 3.12Å |
| 28 | G | 39.3 | Very low | 43 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | trans | -81.5 | 91.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V26 S30 | V26-G28 PolarHBondContact O-N 3.11Å; G28-S30 PolarHBondContact O-N 3.3Å |
| 29 | K | 42.3 | Very low | 42.6 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 64% | 0.635 | 77% | 0.768 | S | S | * | * | | | trans | -75.6 | 101.5 | 163.4 | -88.9 | 177.7 | 169 | 170.1 | 0 | 108.7 | F27 F31 | F27-K29 HydrophobicContact CD1-CD 4.44Å; F27-K29 HydrophobicContact CD1-CG 4.22Å; F27-K29 HydrophobicContact CE1-CD 3.7Å; F27-K29 HydrophobicContact CE1-CG 3.73Å; F27-K29 HydrophobicContact CZ-CG 4.48Å; F27-K29 PolarHBondContact O-N 3.12Å; K29-F31 HydrophobicContact CB-CE2 4.21Å; K29-F31 HydrophobicContact CD-CZ 4.34Å |
| 30 | S | 44.6 | Very low | 42.1 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | -83.8 | 111.6 | 164.2 | 57.7 | 0 | 0 | 0 | 0 | 109 | G28 H32 | G28-S30 PolarHBondContact O-N 3.3Å; S30-H32 PolarHBondContact O-N 2.87Å |
| 31 | F | 36.7 | Very low | 41.8 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -80 | 106.8 | 168.1 | -70.9 | -81.3 | 0 | 0 | 0 | 108.7 | K29 | K29-F31 HydrophobicContact CB-CE2 4.21Å; K29-F31 HydrophobicContact CD-CZ 4.34Å |
| 32 | H | 44.6 | Very low | 41.8 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | | | trans | -81.5 | 123.6 | 165.1 | -177.8 | 61.9 | 0 | 0 | 0 | 107.5 | S30 D34 | S30-H32 PolarHBondContact O-N 2.87Å; H32-D34 IonicContact NE2-OD2 3.98Å |
| 33 | N | 44.8 | Very low | 41.6 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | trans | -128.4 | 104.2 | 163.3 | -78.2 | -48.7 | 0 | 0 | 0 | 107 | | |
| 34 | D | 39.2 | Very low | 41.9 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | | | trans | -86.4 | 153.2 | 172.4 | -144.7 | -2.9 | 0 | 0 | 0 | 109.8 | H32 | H32-D34 IonicContact NE2-OD2 3.98Š|
| 35 | E | 48.6 | Very low | 41.8 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -65.4 | 150.1 | -168 | -172 | 170 | 166 | 0 | 0 | 114.2 | | |
| 36 | T | 37.9 | Very low | 42.2 | Very low | 147 Ų | 147 | 144 Ų | 144 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | trans | -164.4 | 108.3 | 145.1 | 12.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 37 | L | 52.6 | Low | 42.3 | Very low | 147 Ų | 147 | 143 Ų | 143 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | trans | -74.9 | 136.3 | 160.9 | -72.5 | 159.5 | 0 | 0 | 0 | 110.3 | | |
| 38 | R | 34.3 | Very low | 42.8 | Very low | 245 Ų | 245 | 147.9 Ų | 147.9 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | | | trans | 172 | 107.5 | 145.3 | -97 | 168 | 102.8 | 176.7 | 4.7 | 109 | | |
| 39 | S | 41.3 | Very low | 43.3 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | | 71.5 | 113.6 | 88.3 | -177.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 40 | S | 38.5 | Very low | 43.2 | Very low | 108 Ų | 108 | 154.8 Ų | 154.8 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | | 168.3 | 111.8 | 128.2 | -174.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 41 | V | 42.8 | Very low | 43.1 | Very low | 131 Ų | 131 | 155.1 Ų | 155.1 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | 28.5 | 112.8 | 141.6 | -177 | 0 | 0 | 0 | 0 | 121.5 | | |
| 42 | D | 43.4 | Very low | 43.4 | Very low | 131 Ų | 131 | 157.4 Ų | 157.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | | 52.2 | 108.1 | 127 | -128.8 | 10.8 | 0 | 0 | 0 | 120.1 | | |
| 43 | D | 37.8 | Very low | 43.7 | Very low | 158 Ų | 158 | 158.9 Ų | 158.9 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | -142.6 | 132.2 | 140.1 | -154.2 | 4.8 | 0 | 0 | 0 | 110.9 | | |
| 44 | R | 43.9 | Very low | 43.7 | Very low | 195 Ų | 195 | 159.7 Ų | 159.7 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | trans | -83.1 | 139.9 | -174.1 | -68 | 171.5 | 175.8 | -177.7 | -2.2 | 108.3 | | |
| 45 | H | 41.7 | Very low | 43.9 | Very low | 176 Ų | 176 | 157.5 Ų | 157.5 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | | | | 178.1 | 126.9 | 125.5 | -85.4 | -50.1 | 0 | 0 | 0 | 112.1 | | |
| 46 | S | 48.7 | Very low | 43.8 | Very low | 107 Ų | 107 | 156 Ų | 156 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | 44.8 | 118.2 | 148.3 | 68.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 47 | V | 41.7 | Very low | 44.6 | Very low | 108 Ų | 108 | 154.7 Ų | 154.7 | 66% | 0.655 | 79% | 0.793 | S | S | * | * | | | | 168 | 107.8 | 110.9 | 160.3 | 0 | 0 | 0 | 0 | 106.3 | K49 | V47-K49 VanDerWaalsContact C-N 3.35Å; V47-K49 HydrophobicContact CG1-CB 4.12Å; V47-K49 HydrophobicContact CG1-CD 3.9Å; V47-K49 HydrophobicContact CG1-CG 3.64Å; V47-K49 PolarHBondContact O-N 2.92Å |
| 48 | R | 53.6 | Low | 44.1 | Very low | 255 Ų | 255 | 150.4 Ų | 150.4 | 96% | 0.962 | 79% | 0.785 | S | S | * | * | | | trans | -67.5 | 93.8 | 168.8 | -176.1 | -179.3 | -169.6 | 171.1 | 3.1 | 108.2 | | |
| 49 | K | 50.6 | Low | 44.9 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | | | trans | -134.3 | 110.2 | 162.8 | -72.9 | -173.3 | -176.4 | -175.3 | 0 | 109 | V47 | V47-K49 VanDerWaalsContact C-N 3.35Å; V47-K49 HydrophobicContact CG1-CB 4.12Å; V47-K49 HydrophobicContact CG1-CD 3.9Å; V47-K49 HydrophobicContact CG1-CG 3.64Å; V47-K49 PolarHBondContact O-N 2.92Å |
| 50 | Q | 40.3 | Very low | 45.3 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | 5.2 | 132.2 | 158.7 | -150 | 171.3 | 14.8 | 0 | 0 | 117.1 | R52 | Q50-R52 PolarHBondContact O-N 3.27Š|
| 51 | P | 41.2 | Very low | 46.1 | Very low | 120 Ų | 120 | 152.9 Ų | 152.9 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -62.1 | 100.1 | 175.7 | 25.7 | -32.3 | 0 | 0 | 0 | 109.1 | Q53 | P51-Q53 VanDerWaalsContact C-N 3.26Å; P51-Q53 PolarHBondContact O-N 3.26Å |
| 52 | R | 43.8 | Very low | 46.8 | Very low | 225 Ų | 225 | 152.1 Ų | 152.1 | 85% | 0.849 | 77% | 0.769 | S | S | * | * | | | trans | -62.3 | 97.9 | 164.6 | -146.8 | 176.2 | -170.4 | 153.6 | 0.2 | 104.1 | Q50 Q54 | Q50-R52 PolarHBondContact O-N 3.27Å; R52-Q54 PolarHBondContact O-N 3.24Å |
| 53 | Q | 50.6 | Low | 47.6 | Very low | 180 Ų | 180 | 152.3 Ų | 152.3 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | trans | -59.9 | 93.3 | 164.9 | -68.6 | -155.5 | -2.4 | 0 | 0 | 105.6 | P51 A55 | P51-Q53 VanDerWaalsContact C-N 3.26Å; P51-Q53 PolarHBondContact O-N 3.26Å; Q53-A55 PolarHBondContact O-N 3.04Å |
| 54 | Q | 45.6 | Very low | 48.6 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | -64.6 | 86.7 | 157.8 | -68.8 | -176.9 | 21.8 | 0 | 0 | 103.9 | R52 P56 | R52-Q54 PolarHBondContact O-N 3.24Å; Q54-P56 WeakPolarHBondContact O-CD 3.35Å |
| 55 | A | 42.5 | Very low | 49.1 | Very low | 79 Ų | 79 | 144.7 Ų | 144.7 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | | | trans | -60.7 | 113.5 | 160 | 0 | 0 | 0 | 0 | 0 | 104.8 | Q53 S57 | Q53-A55 PolarHBondContact O-N 3.04Å; A55-S57 PolarHBondContact O-N 3.32Å |
| 56 | P | 47.5 | Very low | 50 | Low | 120 Ų | 120 | 144.8 Ų | 144.8 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | | | trans | -59.9 | 114 | 161.6 | 26.5 | -29.7 | 0 | 0 | 0 | 104.5 | Q54 G58 | Q54-P56 WeakPolarHBondContact O-CD 3.35Å; P56-G58 PolarHBondContact O-N 2.92Å |
| 57 | S | 53.8 | Low | 50.6 | Low | 118 Ų | 118 | 143.2 Ų | 143.2 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | | | trans | -66.9 | 56.6 | 167.9 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | A55 L59 | A55-S57 PolarHBondContact O-N 3.32Å; S57-L59 PolarHBondContact O-N 3.29Å |
| 58 | G | 43.6 | Very low | 51.4 | Low | 58 Ų | 58 | 141.6 Ų | 141.6 | 60% | 0.598 | 72% | 0.716 | S | S | * | * | | | trans | -78.5 | 100.1 | 165 | 0 | 0 | 0 | 0 | 0 | 106.2 | P56 R60 | P56-G58 PolarHBondContact O-N 2.92Å; G58-R60 VanDerWaalsContact C-N 3.35Å; G58-R60 PolarHBondContact O-N 2.97Å |
| 59 | L | 49.4 | Very low | 51.6 | Low | 120 Ų | 120 | 138.3 Ų | 138.3 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | | | trans | -41.5 | 104.2 | 159.4 | -72.1 | 139.3 | 0 | 0 | 0 | 107.7 | S57 R61 | S57-L59 PolarHBondContact O-N 3.29Å; L59-R61 HydrophobicContact CB-CG 4.32Å; L59-R61 PolarHBondContact O-N 2.92Å |
| 60 | R | 50.8 | Low | 52.1 | Low | 219 Ų | 219 | 133.2 Ų | 133.2 | 83% | 0.826 | 69% | 0.69 | S | S | * | * | | | trans | -68.1 | 72.2 | 170.1 | -82.5 | -164 | 157.6 | -139.1 | -16.5 | 107.9 | G58 D64 | G58-R60 VanDerWaalsContact C-N 3.35Å; G58-R60 PolarHBondContact O-N 2.97Å; R60-D64 IonicContact CZ-OD2 3.91Å; R60-D64 IonicContact NH1-OD2 2.81Å; R60-D64 IonicContact NH2-OD2 3.64Å; R60-D64 PolarHBondContact NH2-OD2 2.98Å |
| 61 | R | 54.2 | Low | 53 | Low | 181 Ų | 181 | 131.1 Ų | 131.1 | 68% | 0.683 | 68% | 0.68 | S | S | * | * | | | trans | -93.2 | 131.1 | 166.6 | -76.6 | -174 | -178 | 111.5 | 2 | 106.7 | L59 | L59-R61 HydrophobicContact CB-CG 4.32Å; L59-R61 PolarHBondContact O-N 2.92Å |
| 62 | S | 58.2 | Low | 53.9 | Low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 58.7 | 112.4 | 173.1 | 52.6 | 0 | 0 | 0 | 0 | 116.7 | D64 | S62-D64 PolarHBondContact O-N 3.36Š|
| 63 | L | 60 | Low | 54.9 | Low | 136 Ų | 136 | 124 Ų | 124 | 71% | 0.712 | 66% | 0.659 | S | S | * | * | | | trans | 22.6 | 93.4 | 156.7 | -66.1 | 166.6 | 0 | 0 | 0 | 115.8 | L65 F68 | L63-L65 PolarHBondContact O-N 3.27Å; L63-L65 VanDerWaalsContact O-N 3.07Å; L63-F68 HydrophobicContact CD2-CE2 3.8Å; L63-F68 HydrophobicContact CD2-CZ 3.89Å |
| 64 | D | 59.1 | Low | 55.2 | Low | 63 Ų | 63 | 120.7 Ų | 120.7 | 34% | 0.337 | 65% | 0.653 | S | S | . | * | | | trans | -63.9 | 102.2 | 165.3 | -173.8 | 4.6 | 0 | 0 | 0 | 109.1 | R60 S62 E66 S67 | R60-D64 IonicContact CZ-OD2 3.91Å; R60-D64 IonicContact NH1-OD2 2.81Å; R60-D64 IonicContact NH2-OD2 3.64Å; R60-D64 PolarHBondContact NH2-OD2 2.98Å; S62-D64 PolarHBondContact O-N 3.36Å; D64-E66 PolarHBondContact O-N 2.77Å; D64-E66 VanDerWaalsContact O-N 3.16Å; D64-E66 PolarHBondContact OD1-N 3.05Å; D64-S67 PolarHBondContact O-N 3.2Å; D64-S67 VanDerWaalsContact O-N 3.13Å; D64-S67 PolarHBondContact O-OG 3.12Å |
| 65 | L | 55.5 | Low | 55.8 | Low | 129 Ų | 129 | 115.7 Ų | 115.7 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -59.5 | -24.3 | -176.6 | -101.8 | 100.8 | 0 | 0 | 0 | 112.5 | L63 S67 F68 L70 | L63-L65 PolarHBondContact O-N 3.27Å; L63-L65 VanDerWaalsContact O-N 3.07Å; L65-S67 PolarHBondContact O-N 3.41Å; L65-F68 PolarHBondContact O-N 2.97Å; L65-L70 HydrophobicContact CD2-CD1 4.46Å |
| 66 | E | 59.5 | Low | 56.6 | Low | 178 Ų | 178 | 118.9 Ų | 118.9 | 83% | 0.832 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -67.1 | -20.9 | 179.2 | -62.9 | -168.6 | 172.3 | 0 | 0 | 113 | D64 F68 | D64-E66 PolarHBondContact O-N 2.77Å; D64-E66 VanDerWaalsContact O-N 3.16Å; D64-E66 PolarHBondContact OD1-N 3.05Å; E66-F68 VanDerWaalsContact C-N 3.3Å; E66-F68 PolarHBondContact O-N 2.92Å |
| 67 | S | 60.7 | Low | 57.4 | Low | 74 Ų | 74 | 116.2 Ų | 116.2 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -77 | -13.9 | 179.3 | 67.2 | 0 | 0 | 0 | 0 | 114.2 | D64 L65 | D64-S67 PolarHBondContact O-N 3.2Å; D64-S67 VanDerWaalsContact O-N 3.13Å; D64-S67 PolarHBondContact O-OG 3.12Å; L65-S67 PolarHBondContact O-N 3.41Å |
| 68 | F | 59.3 | Low | 57.7 | Low | 74 Ų | 74 | 122.7 Ų | 122.7 | 33% | 0.325 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -106.4 | 114.7 | -179.1 | -58.9 | -77.7 | 0 | 0 | 0 | 110.4 | L63 L65 E66 L70 | L63-F68 HydrophobicContact CD2-CE2 3.8Å; L63-F68 HydrophobicContact CD2-CZ 3.89Å; L65-F68 PolarHBondContact O-N 2.97Å; E66-F68 VanDerWaalsContact C-N 3.3Å; E66-F68 PolarHBondContact O-N 2.92Å; F68-L70 VanDerWaalsContact C-N 3.28Å; F68-L70 HydrophobicContact CB-CD2 4.26Å; F68-L70 HydrophobicContact CB-CG 4.48Å; F68-L70 PolarHBondContact O-N 3.06Å |
| 69 | K | 58.5 | Low | 58.5 | Low | 186 Ų | 186 | 125.8 Ų | 125.8 | 81% | 0.809 | 65% | 0.646 | S | S | * | * | | | trans | -70.5 | 87.6 | 168 | -69.2 | -173.9 | 178.6 | -176.6 | 0 | 109 | H71 | K69-H71 PolarHBondContact O-N 3.06Å; K69-H71 VanDerWaalsContact O-N 3.08Å |
| 70 | L | 60.8 | Low | 59.1 | Low | 74 Ų | 74 | 126 Ų | 126 | 39% | 0.387 | 66% | 0.658 | S | S | . | * | | | trans | -72.2 | 97.4 | 175.5 | -62.1 | 179.3 | 0 | 0 | 0 | 109.2 | L65 F68 V72 I85 L87 | L65-L70 HydrophobicContact CD2-CD1 4.46Å; F68-L70 VanDerWaalsContact C-N 3.28Å; F68-L70 HydrophobicContact CB-CD2 4.26Å; F68-L70 HydrophobicContact CB-CG 4.48Å; F68-L70 PolarHBondContact O-N 3.06Å; L70-V72 HydrophobicContact CB-CG2 4.36Å; L70-V72 PolarHBondContact O-N 3.21Å; L70-V72 VanDerWaalsContact O-N 3.11Å; L70-I85 HydrophobicContact CD2-CG2 4.06Å; L70-L87 HydrophobicContact CD2-CD2 3.1Å |
| 71 | H | 59.7 | Low | 59.6 | Low | 133 Ų | 133 | 121.3 Ų | 121.3 | 62% | 0.616 | 65% | 0.649 | S | S | * | * | | | trans | -77.4 | 93.1 | 167.1 | -74.6 | -81.5 | 0 | 0 | 0 | 108.7 | K69 | K69-H71 PolarHBondContact O-N 3.06Å; K69-H71 VanDerWaalsContact O-N 3.08Å |
| 72 | V | 58.9 | Low | 59.7 | Low | 80 Ų | 80 | 118.1 Ų | 118.1 | 49% | 0.485 | 65% | 0.651 | S | S | . | * | | | trans | -90.4 | 110.1 | 171.4 | -177 | 0 | 0 | 0 | 0 | 107.8 | L70 P74 T83 | L70-V72 HydrophobicContact CB-CG2 4.36Å; L70-V72 PolarHBondContact O-N 3.21Å; L70-V72 VanDerWaalsContact O-N 3.11Å; V72-P74 WeakPolarHBondContact O-CD 3.44Å; V72-T83 HydrophobicContact CG1-CG2 4Å |
| 73 | T | 64.1 | Low | 60 | Low | 114 Ų | 114 | 116.6 Ų | 116.6 | 70% | 0.699 | 64% | 0.637 | S | S | * | * | | | trans | -85.2 | 116.1 | 167.2 | 46.2 | 0 | 0 | 0 | 0 | 108.4 | A75 | T73-A75 PolarHBondContact O-N 3.26Š|
| 74 | P | 58.4 | Low | 60.5 | Low | 112 Ų | 112 | 116.9 Ų | 116.9 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | | | trans | -63.7 | 121.2 | 177.1 | -16.4 | 29.2 | 0 | 0 | 0 | 109.8 | V72 T76 | V72-P74 WeakPolarHBondContact O-CD 3.44Å; P74-T76 PolarHBondContact O-N 2.96Å |
| 75 | A | 57.9 | Low | 61 | Low | 67 Ų | 67 | 118.5 Ų | 118.5 | 55% | 0.554 | 65% | 0.646 | S | S | * | * | | | trans | -77.4 | 108.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108 | T73 S77 | T73-A75 PolarHBondContact O-N 3.26Å; A75-S77 PolarHBondContact O-N 3.47Å; A75-S77 VanDerWaalsContact O-N 3.11Å |
| 76 | T | 59.9 | Low | 61.5 | Low | 146 Ų | 146 | 118.6 Ų | 118.6 | 90% | 0.896 | 64% | 0.641 | S | S | * | * | | | trans | -78.8 | 20.4 | -175.6 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | P74 | P74-T76 PolarHBondContact O-N 2.96Š|
| 77 | S | 62.8 | Low | 61.9 | Low | 64 Ų | 64 | 115.5 Ų | 115.5 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | | | trans | -96.9 | 131.6 | -179.4 | 57.7 | 0 | 0 | 0 | 0 | 111.2 | A75 N79 | A75-S77 PolarHBondContact O-N 3.47Å; A75-S77 VanDerWaalsContact O-N 3.11Å; S77-N79 PolarHBondContact O-N 3.37Å |
| 78 | R | 60.4 | Low | 62.2 | Low | 254 Ų | 254 | 119.5 Ų | 119.5 | 96% | 0.958 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -59.7 | -1.5 | 179 | -105.1 | 179.1 | 165.5 | -172.9 | -4.3 | 115.6 | | |
| 79 | N | 60.3 | Low | 62.3 | Low | 122 Ų | 122 | 121 Ų | 121 | 65% | 0.652 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -109.2 | 122.1 | -178.2 | -60.4 | -3.3 | 0 | 0 | 0 | 106.7 | S77 L81 | S77-N79 PolarHBondContact O-N 3.37Å; N79-L81 PolarHBondContact O-N 2.95Å |
| 80 | S | 61.3 | Low | 62.5 | Low | 125 Ų | 125 | 116.5 Ų | 116.5 | 87% | 0.874 | 64% | 0.641 | S | S | * | * | | | trans | -60.3 | 77.8 | -175.6 | 58.9 | 0 | 0 | 0 | 0 | 112 | | |
| 81 | L | 63.1 | Low | 62.6 | Low | 121 Ų | 121 | 120.1 Ų | 120.1 | 63% | 0.634 | 67% | 0.666 | S | S | * | * | | | trans | -84.6 | 135.7 | 166.9 | -66.2 | 175.5 | 0 | 0 | 0 | 107.7 | N79 T83 | N79-L81 PolarHBondContact O-N 2.95Å; L81-T83 PolarHBondContact O-N 3.29Å |
| 82 | P | 56.3 | Low | 62.9 | Low | 113 Ų | 113 | 117.5 Ų | 117.5 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | | | trans | -61.7 | 127 | 177.6 | 24.7 | -32.1 | 0 | 0 | 0 | 109.5 | I84 | P82-I84 PolarHBondContact O-N 3.15Š|
| 83 | T | 64.5 | Low | 63.1 | Low | 84 Ų | 84 | 122.7 Ų | 122.7 | 52% | 0.515 | 68% | 0.684 | S | S | . | * | | | trans | -59.8 | 110.1 | 175.6 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | V72 L81 I85 | V72-T83 HydrophobicContact CG1-CG2 4Å; L81-T83 PolarHBondContact O-N 3.29Å; T83-I85 HydrophobicContact CG2-CG1 4.4Å; T83-I85 PolarHBondContact O-N 2.93Å; T83-I85 VanDerWaalsContact O-N 3.12Å |
| 84 | I | 68.9 | Low | 62.7 | Low | 141 Ų | 141 | 122.2 Ų | 122.2 | 72% | 0.723 | 68% | 0.683 | S | S | * | * | | | trans | -76.4 | 101.5 | 176 | -58 | 176 | 0 | 0 | 0 | 108 | P82 K86 | P82-I84 PolarHBondContact O-N 3.15Å; I84-K86 HydrophobicContact CG2-CG 4.39Å; I84-K86 PolarHBondContact O-N 3.23Å |
| 85 | I | 70.6 | Confident | 62.8 | Low | 97 Ų | 97 | 124.4 Ų | 124.4 | 50% | 0.497 | 69% | 0.687 | S | S | . | * | | | trans | -78.5 | 105.6 | 174.6 | -56 | 174.4 | 0 | 0 | 0 | 108 | L70 T83 L87 | L70-I85 HydrophobicContact CD2-CG2 4.06Å; T83-I85 HydrophobicContact CG2-CG1 4.4Å; T83-I85 PolarHBondContact O-N 2.93Å; T83-I85 VanDerWaalsContact O-N 3.12Å; I85-L87 HydrophobicContact CG2-CD2 3.74Å; I85-L87 HydrophobicContact CG2-CG 4.28Å; I85-L87 PolarHBondContact O-N 2.93Å |
| 86 | K | 65.4 | Low | 62.9 | Low | 132 Ų | 132 | 128.3 Ų | 128.3 | 57% | 0.574 | 69% | 0.694 | S | S | * | * | | | trans | -82.2 | 105.9 | 172.6 | -72.6 | -175.2 | 177.4 | 179.2 | 0 | 109.5 | I84 Y88 | I84-K86 HydrophobicContact CG2-CG 4.39Å; I84-K86 PolarHBondContact O-N 3.23Å; K86-Y88 HydrophobicContact CB-CE2 4.36Å |
| 87 | L | 69.1 | Low | 62.8 | Low | 112 Ų | 112 | 129.4 Ų | 129.4 | 59% | 0.586 | 69% | 0.691 | S | S | * | * | | | trans | -85.9 | 114 | 172 | -57.9 | 179.8 | 0 | 0 | 0 | 109 | L70 I85 | L70-L87 HydrophobicContact CD2-CD2 3.1Å; I85-L87 HydrophobicContact CG2-CD2 3.74Å; I85-L87 HydrophobicContact CG2-CG 4.28Å; I85-L87 PolarHBondContact O-N 2.93Å |
| 88 | Y | 65.6 | Low | 62.7 | Low | 158 Ų | 158 | 134 Ų | 134 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 120.1 | 168.4 | -64.1 | -79.8 | 0 | 0 | 0 | 108.2 | K86 | K86-Y88 HydrophobicContact CB-CE2 4.36Š|
| 89 | P | 62.7 | Low | 62.8 | Low | 105 Ų | 105 | 125.3 Ų | 125.3 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 137.6 | 173.6 | 25.4 | -31.6 | 0 | 0 | 0 | 108.8 | T91 | P89-T91 PolarHBondContact O-N 3.39Š|
| 90 | P | 62.6 | Low | 62.8 | Low | 92 Ų | 92 | 127.4 Ų | 127.4 | 60% | 0.597 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -59 | 122.9 | -178.9 | 21 | -30.7 | 0 | 0 | 0 | 110.3 | A92 | P90-A92 PolarHBondContact O-N 2.95Š|
| 91 | T | 61.3 | Low | 63.3 | Low | 150 Ų | 150 | 127.8 Ų | 127.8 | 92% | 0.92 | 69% | 0.688 | S | S | * | * | | | trans | -72.9 | 29.7 | -178.8 | -24.7 | 0 | 0 | 0 | 0 | 113.3 | P89 | P89-T91 PolarHBondContact O-N 3.39Š|
| 92 | A | 66.3 | Low | 63.3 | Low | 79 Ų | 79 | 127.1 Ų | 127.1 | 65% | 0.653 | 69% | 0.691 | S | S | * | * | | | trans | -87.8 | 118.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | P90 P94 | P90-A92 PolarHBondContact O-N 2.95Å; A92-P94 WeakPolarHBondContact O-CD 3.38Å |
| 93 | K | 62.7 | Low | 63.6 | Low | 189 Ų | 189 | 129.3 Ų | 129.3 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | | | trans | -54.4 | 123.9 | 170.1 | -61.7 | 179.2 | -177.9 | 178.8 | 0 | 107.6 | L95 | K93-L95 PolarHBondContact O-N 3.37Š|
| 94 | P | 57 | Low | 63.6 | Low | 104 Ų | 104 | 135.7 Ų | 135.7 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | | | trans | -68.3 | 100.1 | 176.2 | 26.4 | -30.5 | 0 | 0 | 0 | 107.5 | A92 H96 | A92-P94 WeakPolarHBondContact O-CD 3.38Å; P94-H96 PolarHBondContact O-N 3.11Å |
| 95 | L | 59.2 | Low | 63.4 | Low | 157 Ų | 157 | 139.1 Ų | 139.1 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -69.3 | 87.2 | 164.1 | -72 | 172.1 | 0 | 0 | 0 | 106.2 | K93 | K93-L95 PolarHBondContact O-N 3.37Š|
| 96 | H | 60.9 | Low | 62.8 | Low | 150 Ų | 150 | 138 Ų | 138 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | | | trans | 53.8 | 65.8 | 170.7 | -58.9 | 87.2 | 0 | 0 | 0 | 114.8 | P94 H98 | P94-H96 PolarHBondContact O-N 3.11Å; H96-H98 PolarHBondContact O-N 3.08Å |
| 97 | M | 57.8 | Low | 62.5 | Low | 169 Ų | 169 | 142.2 Ų | 142.2 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | | | trans | -71.1 | 87.3 | 151.6 | -74.8 | -173.4 | 92.5 | 0 | 0 | 107.2 | A99 | M97-A99 PolarHBondContact O-N 3.24Š|
| 98 | H | 59.8 | Low | 61.7 | Low | 160 Ų | 160 | 144.6 Ų | 144.6 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | trans | -61.4 | 97.3 | 162.3 | -76.4 | -70.2 | 0 | 0 | 0 | 106.6 | H96 N100 | H96-H98 PolarHBondContact O-N 3.08Å; H98-N100 PolarHBondContact O-N 3.15Å |
| 99 | A | 62.6 | Low | 61.5 | Low | 71 Ų | 71 | 142.5 Ų | 142.5 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | | | trans | -53.4 | 117.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | M97 M101 | M97-A99 PolarHBondContact O-N 3.24Å; A99-M101 HydrophobicContact CB-CG 3.78Å; A99-M101 HydrophobicContact CB-SD 4.21Å; A99-M101 PolarHBondContact O-N 3.48Å |
| 100 | N | 61.8 | Low | 60.9 | Low | 166 Ų | 166 | 144.8 Ų | 144.8 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | trans | -72.2 | 64.6 | 170.1 | -153.9 | 16 | 0 | 0 | 0 | 107.3 | H98 | H98-N100 PolarHBondContact O-N 3.15Š|
| 101 | M | 70.6 | Confident | 60.6 | Low | 133 Ų | 133 | 147.3 Ų | 147.3 | 66% | 0.655 | 78% | 0.782 | S | S | * | * | | | trans | -67.2 | 133 | 171.4 | -65.3 | -60.1 | -69.9 | 0 | 0 | 105.8 | A99 L103 | A99-M101 HydrophobicContact CB-CG 3.78Å; A99-M101 HydrophobicContact CB-SD 4.21Å; A99-M101 PolarHBondContact O-N 3.48Å; M101-L103 PolarHBondContact O-N 3.49Å |
| 102 | P | 62.9 | Low | 60.3 | Low | 108 Ų | 108 | 147.5 Ų | 147.5 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | trans | -52.5 | 124 | 178.4 | 21.6 | -31.5 | 0 | 0 | 0 | 107.6 | R104 | P102-R104 PolarHBondContact O-N 2.69Š|
| 103 | L | 63.4 | Low | 59.8 | Low | 158 Ų | 158 | 154 Ų | 154 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | -47 | 112.6 | 177.5 | -76.4 | 162.1 | 0 | 0 | 0 | 107.1 | M101 F105 | M101-L103 PolarHBondContact O-N 3.49Å; L103-F105 PolarHBondContact O-N 3.16Å |
| 104 | R | 65.3 | Low | 59.3 | Low | 218 Ų | 218 | 150.5 Ų | 150.5 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | | | trans | -67.8 | 108.1 | 173 | -70.2 | -171.7 | 176.9 | -141.9 | 1.1 | 105.4 | P102 G106 | P102-R104 PolarHBondContact O-N 2.69Å; R104-G106 PolarHBondContact O-N 3.27Å |
| 105 | F | 63.3 | Low | 59.2 | Low | 213 Ų | 213 | 150.6 Ų | 150.6 | 93% | 0.934 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -46.7 | 130.6 | 170 | -64.9 | -78.2 | 0 | 0 | 0 | 109.1 | L103 | L103-F105 PolarHBondContact O-N 3.16Š|
| 106 | G | 59.7 | Low | 58.9 | Low | 74 Ų | 74 | 150.6 Ų | 150.6 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | | | trans | 104.3 | 30.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | R104 | R104-G106 PolarHBondContact O-N 3.27Š|
| 107 | R | 58.4 | Low | 58.6 | Low | 221 Ų | 221 | 148.3 Ų | 148.3 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | -118.7 | 95.3 | 160.4 | -75.1 | -171.5 | 172.9 | -175.5 | -3.2 | 109.5 | S109 | R107-S109 PolarHBondContact O-N 3.31Š|
| 108 | D | 52.3 | Low | 58.6 | Low | 162 Ų | 162 | 145.3 Ų | 145.3 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | | | trans | -78.7 | 112.1 | 163.3 | -59.6 | -35.1 | 0 | 0 | 0 | 107 | | |
| 109 | S | 62.1 | Low | 58.7 | Low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | -97.4 | 80 | 170.6 | 61.3 | 0 | 0 | 0 | 0 | 108.9 | R107 | R107-S109 PolarHBondContact O-N 3.31Š|
| 110 | N | 49.6 | Very low | 58.4 | Low | 153 Ų | 153 | 147 Ų | 147 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -171.5 | 139.6 | 139.9 | -131.1 | -42.1 | 0 | 0 | 0 | 111.5 | | |
| 111 | D | 55.8 | Low | 58.6 | Low | 145 Ų | 145 | 146 Ų | 146 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | -59.7 | 138.8 | 170.3 | -80.3 | -51.8 | 0 | 0 | 0 | 111.7 | | |
| 112 | E | 54.8 | Low | 58.2 | Low | 155 Ų | 155 | 144.3 Ų | 144.3 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | | | | 153.2 | 121.5 | 123.2 | -84.6 | -167.5 | 157.3 | 0 | 0 | 111.1 | | |
| 113 | R | 56.5 | Low | 58.3 | Low | 214 Ų | 214 | 146.8 Ų | 146.8 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | 58.1 | 86.7 | 154.8 | -60.3 | -177.8 | -179.4 | 133.9 | 2.5 | 118.1 | | |
| 114 | V | 52.1 | Low | 58.2 | Low | 116 Ų | 116 | 149.3 Ų | 149.3 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | | | trans | -156.4 | 114.8 | 131.8 | -179 | 0 | 0 | 0 | 0 | 107.9 | | |
| 115 | P | 54.6 | Low | 57.9 | Low | 106 Ų | 106 | 148.2 Ų | 148.2 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -74.9 | 135.1 | 158 | 32.3 | -25.9 | 0 | 0 | 0 | 106.3 | | |
| 116 | N | 53.6 | Low | 57.7 | Low | 158 Ų | 158 | 141.8 Ų | 141.8 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | 94.2 | 59.5 | 176.9 | -35.6 | -29.7 | 0 | 0 | 0 | 114.8 | | |
| 117 | S | 54.5 | Low | 57.5 | Low | 101 Ų | 101 | 149.1 Ų | 149.1 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -115.1 | 118.8 | 144.5 | 58.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 118 | S | 58 | Low | 57.6 | Low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | -43.6 | 130.4 | 170.7 | 51 | 0 | 0 | 0 | 0 | 109.5 | N120 | S118-N120 PolarHBondContact O-N 2.88Å; S118-N120 VanDerWaalsContact O-N 3.1Å |
| 119 | P | 60.1 | Low | 57.8 | Low | 110 Ų | 110 | 145.9 Ų | 145.9 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | | | trans | -54.9 | 125.6 | 178.4 | 20.8 | -30 | 0 | 0 | 0 | 108.6 | M121 | P119-M121 PolarHBondContact O-N 3.28Š|
| 120 | N | 56.2 | Low | 57.5 | Low | 155 Ų | 155 | 147.8 Ų | 147.8 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | -63.7 | 89.3 | 177.3 | -176.2 | -0.6 | 0 | 0 | 0 | 108.3 | S118 | S118-N120 PolarHBondContact O-N 2.88Å; S118-N120 VanDerWaalsContact O-N 3.1Å |
| 121 | M | 66.9 | Low | 57.6 | Low | 145 Ų | 145 | 147 Ų | 147 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | | | trans | -64.7 | 131.8 | 170.7 | -71.2 | -64.1 | -72.9 | 0 | 0 | 107.1 | P119 Q123 | P119-M121 PolarHBondContact O-N 3.28Å; M121-Q123 PolarHBondContact O-N 3.32Å |
| 122 | P | 61.4 | Low | 57.5 | Low | 99 Ų | 99 | 148.1 Ų | 148.1 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | trans | -53.4 | 123.7 | 178.8 | 21.4 | -31.4 | 0 | 0 | 0 | 108.1 | R124 | P122-R124 VanDerWaalsContact C-N 3.28Å; P122-R124 PolarHBondContact O-N 3.1Å |
| 123 | Q | 65.2 | Low | 57.3 | Low | 159 Ų | 159 | 148.6 Ų | 148.6 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | trans | -55.2 | 94.5 | 178.5 | -174.7 | 173.3 | 8.9 | 0 | 0 | 108.4 | M121 F125 | M121-Q123 PolarHBondContact O-N 3.32Å; Q123-F125 PolarHBondContact O-N 3.33Å |
| 124 | R | 61.3 | Low | 56.9 | Low | 212 Ų | 212 | 146.9 Ų | 146.9 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | trans | -70.1 | 102.4 | 170.7 | -76.3 | -176.7 | 172.9 | -113.1 | 2.4 | 105.3 | P122 G126 | P122-R124 VanDerWaalsContact C-N 3.28Å; P122-R124 PolarHBondContact O-N 3.1Å; R124-G126 PolarHBondContact O-N 3.39Å; R124-G126 VanDerWaalsContact O-N 3.11Å |
| 125 | F | 59.5 | Low | 56.8 | Low | 194 Ų | 194 | 146 Ų | 146 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47 | 122.8 | 170.2 | -75.8 | -81.8 | 0 | 0 | 0 | 109.1 | Q123 | Q123-F125 PolarHBondContact O-N 3.33Š|
| 126 | G | 58.3 | Low | 56.7 | Low | 78 Ų | 78 | 144.2 Ų | 144.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.2 | 12 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | R124 | R124-G126 PolarHBondContact O-N 3.39Å; R124-G126 VanDerWaalsContact O-N 3.11Å |
| 127 | R | 57.2 | Low | 56.5 | Low | 228 Ų | 228 | 145.6 Ų | 145.6 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | -130.1 | 98.8 | 165.8 | -63.7 | -163.5 | 178.7 | -128.6 | -1.3 | 111 | | |
| 128 | S | 59.8 | Low | 56 | Low | 89 Ų | 89 | 146.4 Ų | 146.4 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | | | trans | -63.5 | 138.9 | 157 | 52.6 | 0 | 0 | 0 | 0 | 107.5 | E130 | S128-E130 PolarHBondContact O-N 3.48Š|
| 129 | W | 56.2 | Low | 55.5 | Low | 226 Ų | 226 | 152.6 Ų | 152.6 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | | | trans | -81.9 | 18.8 | 175.7 | 72.2 | -78.4 | 0 | 0 | 0 | 111.6 | L131 | W129-L131 VanDerWaalsContact C-N 3.35Å; W129-L131 PolarHBondContact O-N 2.75Å |
| 130 | E | 55.1 | Low | 54.9 | Low | 153 Ų | 153 | 155.9 Ų | 155.9 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | | | trans | -58.8 | 104 | 178.2 | -83.4 | 174.3 | 154.6 | 0 | 0 | 108.5 | S128 I132 | S128-E130 PolarHBondContact O-N 3.48Å; E130-I132 PolarHBondContact O-N 2.99Å |
| 131 | L | 53.1 | Low | 54.6 | Low | 137 Ų | 137 | 153.2 Ų | 153.2 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | trans | 11.3 | 103.9 | 160.6 | -73 | 112.8 | 0 | 0 | 0 | 112.8 | W129 Q133 | W129-L131 VanDerWaalsContact C-N 3.35Å; W129-L131 PolarHBondContact O-N 2.75Å; L131-Q133 PolarHBondContact O-N 3.45Å |
| 132 | I | 53.3 | Low | 53.7 | Low | 169 Ų | 169 | 157.5 Ų | 157.5 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -65.5 | 77.6 | 157.2 | -55.4 | 170.8 | 0 | 0 | 0 | 105.9 | E130 M134 | E130-I132 PolarHBondContact O-N 2.99Å; I132-M134 PolarHBondContact O-N 3.07Å |
| 133 | Q | 49.5 | Very low | 53.4 | Low | 164 Ų | 164 | 160.7 Ų | 160.7 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -68 | 111.7 | 160.3 | -151.7 | 167.8 | 35.3 | 0 | 0 | 103.6 | L131 C135 | L131-Q133 PolarHBondContact O-N 3.45Å; Q133-C135 PolarHBondContact O-N 3.13Å |
| 134 | M | 48 | Very low | 52.7 | Low | 178 Ų | 178 | 157 Ų | 157 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -54.2 | 104.9 | 172 | -68.4 | -174.8 | 86.8 | 0 | 0 | 107.1 | I132 G136 | I132-M134 PolarHBondContact O-N 3.07Å; M134-G136 PolarHBondContact O-N 2.73Å; M134-G136 VanDerWaalsContact O-N 3.07Å |
| 135 | C | 50.7 | Low | 52.6 | Low | 97 Ų | 97 | 152.9 Ų | 152.9 | 66% | 0.655 | 80% | 0.799 | S | S | * | * | | | trans | -69 | 103.6 | 166.8 | -76.8 | 0 | 0 | 0 | 0 | 106.3 | Q133 E137 | Q133-C135 PolarHBondContact O-N 3.13Å; C135-E137 PolarHBondContact O-N 3.45Å |
| 136 | G | 52.8 | Low | 52.6 | Low | 69 Ų | 69 | 147.1 Ų | 147.1 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -59.4 | 121.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107 | M134 | M134-G136 PolarHBondContact O-N 2.73Å; M134-G136 VanDerWaalsContact O-N 3.07Å |
| 137 | E | 50 | Low | 52.5 | Low | 188 Ų | 188 | 148.5 Ų | 148.5 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | | | trans | 79.8 | 69.5 | -179.6 | -59.7 | 161.7 | 175.1 | 0 | 0 | 115.7 | C135 R139 | C135-E137 PolarHBondContact O-N 3.45Å; E137-R139 VanDerWaalsContact C-N 3.26Å; E137-R139 PolarHBondContact O-N 3.38Å |
| 138 | C | 42.8 | Very low | 52.7 | Low | 117 Ų | 117 | 144.2 Ų | 144.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -68.4 | 87 | 152.5 | -68.7 | 0 | 0 | 0 | 0 | 109.3 | E140 | C138-E140 PolarHBondContact O-N 3.18Š|
| 139 | R | 47.9 | Very low | 52.8 | Low | 238 Ų | 238 | 145 Ų | 145 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | | | trans | -68.7 | 115.7 | 168.7 | -147.3 | 175 | -177.6 | 162.6 | 1.3 | 108.1 | E137 A141 | E137-R139 VanDerWaalsContact C-N 3.26Å; E137-R139 PolarHBondContact O-N 3.38Å; R139-A141 PolarHBondContact O-N 3.25Å |
| 140 | E | 48.6 | Very low | 52.6 | Low | 178 Ų | 178 | 138.6 Ų | 138.6 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | trans | 19.1 | 95 | 172.4 | -71.9 | 178.9 | 160.2 | 0 | 0 | 114.9 | C138 R142 | C138-E140 PolarHBondContact O-N 3.18Å; E140-R142 PolarHBondContact O-N 2.7Å |
| 141 | A | 48.3 | Very low | 52.8 | Low | 100 Ų | 100 | 140.5 Ų | 140.5 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | trans | -56.2 | 96.2 | 160 | 0 | 0 | 0 | 0 | 0 | 107.6 | R139 D143 | R139-A141 PolarHBondContact O-N 3.25Å; A141-D143 PolarHBondContact O-N 2.82Å |
| 142 | R | 49.6 | Very low | 52.9 | Low | 235 Ų | 235 | 145.1 Ų | 145.1 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | | | trans | -45.5 | 126.3 | 164.5 | -78.8 | -174.3 | 173.6 | -173.9 | -1.5 | 106.9 | E140 A144 | E140-R142 PolarHBondContact O-N 2.7Å; R142-A144 PolarHBondContact O-N 2.73Å |
| 143 | D | 53.3 | Low | 53.2 | Low | 165 Ų | 165 | 144.3 Ų | 144.3 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | trans | -37.8 | 102.6 | 175.5 | -82.9 | -46 | 0 | 0 | 0 | 110.2 | A141 | A141-D143 PolarHBondContact O-N 2.82Š|
| 144 | A | 51.8 | Low | 53.6 | Low | 81 Ų | 81 | 139 Ų | 139 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | trans | -62.1 | 132 | 171.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | R142 S146 | R142-A144 PolarHBondContact O-N 2.73Å; A144-S146 PolarHBondContact O-N 3.17Å |
| 145 | P | 59.4 | Low | 54 | Low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -54.3 | 115.9 | 174.3 | -20.4 | 30.2 | 0 | 0 | 0 | 107.5 | | |
| 146 | S | 58.8 | Low | 54.3 | Low | 74 Ų | 74 | 141.2 Ų | 141.2 | 52% | 0.517 | 75% | 0.753 | S | S | . | * | | | trans | -49.1 | 131 | -173.6 | 67.8 | 0 | 0 | 0 | 0 | 108.8 | A144 V148 | A144-S146 PolarHBondContact O-N 3.17Å; S146-V148 PolarHBondContact O-N 2.91Å |
| 147 | P | 56.7 | Low | 54.8 | Low | 106 Ų | 106 | 140.2 Ų | 140.2 | 69% | 0.688 | 74% | 0.738 | S | S | * | * | | | trans | -55 | 121.3 | 175.4 | 22.8 | -31.6 | 0 | 0 | 0 | 107.1 | L149 | P147-L149 PolarHBondContact O-N 2.82Š|
| 148 | V | 60.3 | Low | 55.4 | Low | 139 Ų | 139 | 136.2 Ų | 136.2 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | | | trans | -66.8 | 91.4 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 106.3 | S146 | S146-V148 PolarHBondContact O-N 2.91Š|
| 149 | L | 62.2 | Low | 56.3 | Low | 104 Ų | 104 | 137.9 Ų | 137.9 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | | | trans | -57.2 | 142 | 169.9 | -67.8 | 174.7 | 0 | 0 | 0 | 107.3 | P147 Q151 F153 | P147-L149 PolarHBondContact O-N 2.82Å; L149-Q151 PolarHBondContact O-N 2.81Å; L149-F153 HydrophobicContact CB-CD2 4.46Å |
| 150 | P | 53.4 | Low | 57.2 | Low | 92 Ų | 92 | 134 Ų | 134 | 60% | 0.597 | 71% | 0.705 | S | S | * | * | | | trans | -49.8 | 134.7 | 178 | -6 | 4.3 | 0 | 0 | 0 | 109.2 | R152 F153 | P150-R152 PolarHBondContact O-N 2.86Å; P150-F153 PolarHBondContact O-N 2.96Å |
| 151 | Q | 58.3 | Low | 58 | Low | 193 Ų | 193 | 128.7 Ų | 128.7 | 90% | 0.902 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 49.1 | 179 | -165.3 | 172.5 | 16.5 | 0 | 0 | 111.5 | L149 | L149-Q151 PolarHBondContact O-N 2.81Š|
| 152 | R | 54.4 | Low | 59 | Low | 235 Ų | 235 | 129 Ų | 129 | 89% | 0.887 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | -17.5 | 174 | -119.6 | -176.6 | -178.4 | -103.1 | 0.9 | 111.2 | P150 G154 | P150-R152 PolarHBondContact O-N 2.86Å; R152-G154 VanDerWaalsContact C-N 3.28Å; R152-G154 PolarHBondContact O-N 2.86Å; R152-G154 VanDerWaalsContact O-N 3.15Å |
| 153 | F | 60.5 | Low | 60 | Low | 151 Ų | 151 | 120.6 Ų | 120.6 | 66% | 0.662 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -82.9 | 82 | 165 | -62.4 | -76.2 | 0 | 0 | 0 | 107.4 | L149 P150 R155 | L149-F153 HydrophobicContact CB-CD2 4.46Å; P150-F153 PolarHBondContact O-N 2.96Å; F153-R155 PolarHBondContact O-N 2.74Å |
| 154 | G | 57.2 | Low | 60.6 | Low | 53 Ų | 53 | 121.5 Ų | 121.5 | 55% | 0.546 | 64% | 0.638 | S | S | . | * | | | trans | -39.1 | 107.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R152 D156 | R152-G154 VanDerWaalsContact C-N 3.28Å; R152-G154 PolarHBondContact O-N 2.86Å; R152-G154 VanDerWaalsContact O-N 3.15Å; G154-D156 PolarHBondContact O-N 2.76Å |
| 155 | R | 57.2 | Low | 61.3 | Low | 180 Ų | 180 | 121.1 Ų | 121.1 | 68% | 0.679 | 63% | 0.628 | S | S | * | * | | | trans | -81.7 | 6 | 172.9 | -74.2 | -173.2 | 175.6 | -161.2 | -0.9 | 112.1 | F153 | F153-R155 PolarHBondContact O-N 2.74Š|
| 156 | D | 57.5 | Low | 61.5 | Low | 142 Ų | 142 | 120.1 Ų | 120.1 | 76% | 0.759 | 62% | 0.615 | S | S | * | * | | | trans | -100 | 11.5 | -167.6 | -45.4 | -25.4 | 0 | 0 | 0 | 112.2 | G154 P158 | G154-D156 PolarHBondContact O-N 2.76Å; D156-P158 WeakPolarHBondContact O-CD 3.5Å |
| 157 | A | 62.9 | Low | 61.8 | Low | 47 Ų | 47 | 119.2 Ų | 119.2 | 39% | 0.388 | 61% | 0.612 | S | S | . | * | | | trans | -76.1 | 117.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y159 W160 | A157-Y159 PolarHBondContact O-N 3.45Å; A157-W160 PolarHBondContact O-N 2.86Å |
| 158 | P | 62.4 | Low | 62 | Low | 105 Ų | 105 | 116.8 Ų | 116.8 | 68% | 0.682 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63 | -8.7 | -178.4 | 26.7 | -35.5 | 0 | 0 | 0 | 113.4 | D156 S161 | D156-P158 WeakPolarHBondContact O-CD 3.5Å; P158-S161 PolarHBondContact O-OG 2.91Å |
| 159 | Y | 61.7 | Low | 61.9 | Low | 152 Ų | 152 | 116 Ų | 116 | 60% | 0.596 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -74.4 | -28.7 | 173.4 | -177.7 | -116.2 | 0 | 0 | 0 | 113.3 | A157 L162 L163 | A157-Y159 PolarHBondContact O-N 3.45Å; Y159-L162 PolarHBondContact O-N 2.74Å; Y159-L163 HydrophobicContact CD1-CD1 3.69Å; Y159-L163 HydrophobicContact CD1-CG 4.1Å; Y159-L163 HydrophobicContact CE1-CD1 3.29Å; Y159-L163 HydrophobicContact CE1-CD2 4.16Å; Y159-L163 HydrophobicContact CE1-CG 3.72Å; Y159-L163 HydrophobicContact CE2-CD2 4.29Å; Y159-L163 HydrophobicContact CE2-CG 4.18Å; Y159-L163 WeakPolarHBondContact O-CG 3.37Å; Y159-L163 PolarHBondContact O-N 3.05Å |
| 160 | W | 66.4 | Low | 61.4 | Low | 156 Ų | 156 | 118.4 Ų | 118.4 | 59% | 0.591 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.3 | -32.4 | -178.8 | -93.9 | 110.6 | 0 | 0 | 0 | 113.3 | A157 L163 R164 | A157-W160 PolarHBondContact O-N 2.86Å; W160-L163 HydrophobicContact CE3-CD1 4.43Å; W160-R164 WeakPolarHBondContact O-CB 3.46Å; W160-R164 PolarHBondContact O-N 2.9Å |
| 161 | S | 64.9 | Low | 61.1 | Low | 67 Ų | 67 | 120.5 Ų | 120.5 | 47% | 0.469 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.5 | -44.1 | 172.7 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | P158 R164 T165 | P158-S161 PolarHBondContact O-OG 2.91Å; S161-R164 WeakPolarHBondContact O-CB 3.42Å; S161-R164 PolarHBondContact O-N 3.28Å; S161-T165 PolarHBondContact O-N 2.97Å; S161-T165 PolarHBondContact O-OG1 2.79Å |
| 162 | L | 69.3 | Low | 60.8 | Low | 106 Ų | 106 | 118.2 Ų | 118.2 | 56% | 0.555 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.3 | -45.2 | 176.4 | -67.4 | 173 | 0 | 0 | 0 | 112.2 | Y159 R164 T165 L166 | Y159-L162 PolarHBondContact O-N 2.74Å; L162-R164 VanDerWaalsContact C-N 3.29Å; L162-R164 PolarHBondContact O-N 2.83Å; L162-T165 PolarHBondContact O-N 2.87Å; L162-L166 WeakPolarHBondContact O-CG 3.43Å; L162-L166 PolarHBondContact O-N 3.11Å |
| 163 | L | 70.6 | Confident | 60.5 | Low | 59 Ų | 59 | 113.4 Ų | 113.4 | 31% | 0.309 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.6 | -38.3 | 175 | -77.8 | 179.8 | 0 | 0 | 0 | 112.6 | Y159 W160 A167 | Y159-L163 HydrophobicContact CD1-CD1 3.69Å; Y159-L163 HydrophobicContact CD1-CG 4.1Å; Y159-L163 HydrophobicContact CE1-CD1 3.29Å; Y159-L163 HydrophobicContact CE1-CD2 4.16Å; Y159-L163 HydrophobicContact CE1-CG 3.72Å; Y159-L163 HydrophobicContact CE2-CD2 4.29Å; Y159-L163 HydrophobicContact CE2-CG 4.18Å; Y159-L163 WeakPolarHBondContact O-CG 3.37Å; Y159-L163 PolarHBondContact O-N 3.05Å; W160-L163 HydrophobicContact CE3-CD1 4.43Å; L163-A167 VanDerWaalsContact O-CB 3.23Å; L163-A167 WeakPolarHBondContact O-CB 3.23Å; L163-A167 PolarHBondContact O-N 2.73Å |
| 164 | R | 66.3 | Low | 60 | Low | 183 Ų | 183 | 110 Ų | 110 | 69% | 0.691 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67 | -42.9 | 176.2 | -171.6 | -179.1 | -66.3 | 165.1 | 0.4 | 111.2 | W160 S161 L162 A167 S168 | W160-R164 WeakPolarHBondContact O-CB 3.46Å; W160-R164 PolarHBondContact O-N 2.9Å; S161-R164 WeakPolarHBondContact O-CB 3.42Å; S161-R164 PolarHBondContact O-N 3.28Å; L162-R164 VanDerWaalsContact C-N 3.29Å; L162-R164 PolarHBondContact O-N 2.83Å; R164-A167 PolarHBondContact O-N 3.03Å; R164-S168 PolarHBondContact O-N 2.95Å; R164-S168 PolarHBondContact O-OG 3.02Å; R164-S168 VanDerWaalsContact O-OG 3.05Å |
| 165 | T | 66.7 | Low | 59.7 | Low | 74 Ų | 74 | 110.4 Ų | 110.4 | 45% | 0.454 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.4 | -45.4 | 177.6 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | S161 L162 S168 E169 | S161-T165 PolarHBondContact O-N 2.97Å; S161-T165 PolarHBondContact O-OG1 2.79Å; L162-T165 PolarHBondContact O-N 2.87Å; T165-S168 WeakPolarHBondContact CA-OG 3.1Å; T165-S168 PolarHBondContact O-N 2.94Å; T165-S168 PolarHBondContact O-OG 3.04Å; T165-E169 PolarHBondContact O-N 3.3Å |
| 166 | L | 65 | Low | 59.4 | Low | 104 Ų | 104 | 109.1 Ų | 109.1 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66 | -38.3 | 177.3 | -69.2 | 172.4 | 0 | 0 | 0 | 112.5 | L162 S168 E169 H170 | L162-L166 WeakPolarHBondContact O-CG 3.43Å; L162-L166 PolarHBondContact O-N 3.11Å; L166-S168 VanDerWaalsContact C-N 3.35Å; L166-E169 PolarHBondContact O-N 3.3Å; L166-H170 PolarHBondContact O-N 3.03Å; L166-H170 VanDerWaalsContact O-N 3.15Å |
| 167 | A | 64.4 | Low | 59 | Low | 56 Ų | 56 | 109.3 Ų | 109.3 | 46% | 0.463 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.6 | -32.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L163 R164 L171 | L163-A167 VanDerWaalsContact O-CB 3.23Å; L163-A167 WeakPolarHBondContact O-CB 3.23Å; L163-A167 PolarHBondContact O-N 2.73Å; R164-A167 PolarHBondContact O-N 3.03Å; A167-L171 PolarHBondContact O-N 3.26Å |
| 168 | S | 60.2 | Low | 57.9 | Low | 54 Ų | 54 | 119.7 Ų | 119.7 | 38% | 0.378 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -74.4 | -35.5 | 174 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | R164 T165 L166 L171 L172 | R164-S168 PolarHBondContact O-N 2.95Å; R164-S168 PolarHBondContact O-OG 3.02Å; R164-S168 VanDerWaalsContact O-OG 3.05Å; T165-S168 WeakPolarHBondContact CA-OG 3.1Å; T165-S168 PolarHBondContact O-N 2.94Å; T165-S168 PolarHBondContact O-OG 3.04Å; L166-S168 VanDerWaalsContact C-N 3.35Å; S168-L171 PolarHBondContact O-N 3.07Å; S168-L172 WeakPolarHBondContact O-CG 3.49Å; S168-L172 PolarHBondContact O-N 2.84Å; S168-L172 VanDerWaalsContact O-N 3.1Å |
| 169 | E | 57.6 | Low | 56.8 | Low | 123 Ų | 123 | 124.8 Ų | 124.8 | 58% | 0.575 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.8 | -43.6 | 175 | -80.2 | -171.6 | 158.3 | 0 | 0 | 111.4 | T165 L166 L171 L172 D173 | T165-E169 PolarHBondContact O-N 3.3Å; L166-E169 PolarHBondContact O-N 3.3Å; E169-L171 PolarHBondContact O-N 2.69Å; E169-L172 PolarHBondContact O-N 2.77Å; E169-D173 PolarHBondContact O-N 3.35Å |
| 170 | H | 51.8 | Low | 56 | Low | 154 Ų | 154 | 120.3 Ų | 120.3 | 71% | 0.713 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.9 | -26.3 | 176.8 | -110.9 | -70.4 | 0 | 0 | 0 | 113.9 | L166 A174 | L166-H170 PolarHBondContact O-N 3.03Å; L166-H170 VanDerWaalsContact O-N 3.15Å; H170-A174 PolarHBondContact O-N 3.26Å |
| 171 | L | 48.5 | Very low | 54.7 | Low | 136 Ų | 136 | 119.9 Ų | 119.9 | 71% | 0.712 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -82.8 | -28.7 | 176.6 | -83.5 | 168.9 | 0 | 0 | 0 | 113.1 | A167 S168 E169 | A167-L171 PolarHBondContact O-N 3.26Å; S168-L171 PolarHBondContact O-N 3.07Å; E169-L171 PolarHBondContact O-N 2.69Å |
| 172 | L | 51.5 | Low | 53.7 | Low | 146 Ų | 146 | 125 Ų | 125 | 76% | 0.764 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.6 | -31.2 | 174.9 | -70.8 | 169.6 | 0 | 0 | 0 | 111.8 | S168 E169 A174 G175 | S168-L172 WeakPolarHBondContact O-CG 3.49Å; S168-L172 PolarHBondContact O-N 2.84Å; S168-L172 VanDerWaalsContact O-N 3.1Å; E169-L172 PolarHBondContact O-N 2.77Å; L172-A174 VanDerWaalsContact C-N 3.34Å; L172-G175 PolarHBondContact O-N 2.78Å |
| 173 | D | 47.2 | Very low | 52.6 | Low | 133 Ų | 133 | 125.3 Ų | 125.3 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -77.5 | -20.3 | 177.1 | -147.6 | 29.7 | 0 | 0 | 0 | 112.8 | E169 G175 | E169-D173 PolarHBondContact O-N 3.35Å; D173-G175 PolarHBondContact O-N 3.1Å |
| 174 | A | 51.1 | Low | 51.4 | Low | 80 Ų | 80 | 134.2 Ų | 134.2 | 66% | 0.661 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 4.4 | 170 | 0 | 0 | 0 | 0 | 0 | 113.5 | H170 L172 L176 | H170-A174 PolarHBondContact O-N 3.26Å; L172-A174 VanDerWaalsContact C-N 3.34Å; A174-L176 VanDerWaalsContact C-N 3.34Å; A174-L176 PolarHBondContact O-N 3.44Å |
| 175 | G | 51.4 | Low | 50.7 | Low | 62 Ų | 62 | 131.8 Ų | 131.8 | 64% | 0.639 | 71% | 0.71 | S | S | * | * | | | trans | -89.1 | 32.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L172 D173 | L172-G175 PolarHBondContact O-N 2.78Å; D173-G175 PolarHBondContact O-N 3.1Å |
| 176 | L | 49.3 | Very low | 49.8 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | | | trans | -119.5 | 112 | 176 | -84.3 | 158.5 | 0 | 0 | 0 | 111.7 | A174 | A174-L176 VanDerWaalsContact C-N 3.34Å; A174-L176 PolarHBondContact O-N 3.44Å |
| 177 | H | 48.9 | Very low | 49 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 68% | 0.676 | 73% | 0.733 | S | S | * | * | | | trans | 93.4 | 72.9 | 154.2 | -148 | -61.9 | 0 | 0 | 0 | 118.9 | | |
| 178 | W | 40.8 | Very low | 48.1 | Very low | 265 Ų | 265 | 141.3 Ų | 141.3 | 100% | 1.004 | 75% | 0.749 | S | S | * | * | | | trans | -127.4 | 71.8 | 141.3 | -64.2 | 106.6 | 0 | 0 | 0 | 109.3 | | |
| 179 | Y | 40.1 | Very low | 47.3 | Very low | 212 Ų | 212 | 146.8 Ų | 146.8 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | -106.2 | 117.4 | 166 | -153.2 | -90.4 | 0 | 0 | 0 | 108.6 | | |
| 180 | G | 44.7 | Very low | 46.6 | Very low | 58 Ų | 58 | 148.3 Ų | 148.3 | 60% | 0.598 | 79% | 0.786 | S | S | * | * | | | trans | 69.5 | 111.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 181 | N | 37.8 | Very low | 46.3 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | | -163.8 | 82.3 | 122.8 | -101.7 | -5.8 | 0 | 0 | 0 | 110.1 | | |
| 182 | D | 44.5 | Very low | 46.1 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | | | trans | -92.4 | 100.1 | 151.8 | -73.8 | -23.3 | 0 | 0 | 0 | 106.7 | | |
| 183 | T | 46.1 | Very low | 45.6 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 69% | 0.693 | 80% | 0.799 | S | S | * | * | | | trans | -108.7 | 113.9 | 168.8 | 48 | 0 | 0 | 0 | 0 | 109.1 | | |
| 184 | I | 45.9 | Very low | 45.5 | Very low | 246 Ų | 246 | 150.5 Ų | 150.5 | 100% | 1.262 | 81% | 0.807 | S | S | * | * | | | trans | 16.9 | 0 | 153.8 | -52.1 | 172.8 | 0 | 0 | 0 | 116.9 | | |