| 1 | M | 48.8 | Very low | 49.4 | Very low | 244 Ų | 244 | 125.2 Ų | 125.2 | 100% | 1.202 | 86% | 0.857 | S | S | * | * | | | | 0 | 125.9 | 0 | -77.2 | 169.3 | 170.1 | 0 | 0 | 107.6 | | |
| 2 | A | 48.5 | Very low | 49.3 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 88% | 0.876 | 86% | 0.857 | S | S | * | * | | | trans | 35.2 | 129.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 3 | G | 41 | Very low | 49.5 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 85% | 0.85 | S | S | * | * | | | cis | 106.9 | 139.1 | 28.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 4 | A | 56.8 | Low | 49.5 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 88% | 0.876 | 84% | 0.844 | S | S | * | * | | | trans | 81.5 | 125.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 5 | G | 46 | Very low | 49.3 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 84% | 0.844 | S | S | * | * | | | cis | 79.4 | 130 | 45.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 6 | C | 49.2 | Very low | 49.2 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 87% | 0.865 | 85% | 0.849 | S | S | * | * | | | cis | -176.1 | 175.7 | 22.4 | 45.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 7 | A | 53.2 | Low | 48.9 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 81% | 0.81 | 84% | 0.843 | S | S | * | * | | | trans | 105.7 | 109 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 8 | T | 47.9 | Very low | 49.2 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 80% | 0.798 | 84% | 0.844 | S | S | * | * | | | trans | -40.7 | 140.8 | 160.9 | -47.9 | 0 | 0 | 0 | 0 | 116.4 | V10 | T8-V10 HydrophobicContact CG2-CG2 4.48Š|
| 9 | A | 54.2 | Low | 49.5 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | | | trans | -147.8 | 129.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 10 | V | 46.2 | Very low | 49.4 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 76% | 0.764 | 84% | 0.841 | S | S | * | * | | | trans | -86 | 128.5 | -179 | 167.6 | 0 | 0 | 0 | 0 | 109.6 | T8 | T8-V10 HydrophobicContact CG2-CG2 4.48Š|
| 11 | Q | 51 | Low | 49.4 | Very low | 190 Ų | 190 | 120.1 Ų | 120.1 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | | | trans | -160.5 | 114.9 | 151.6 | -146.3 | 110.2 | 9.5 | 0 | 0 | 111 | | |
| 12 | R | 48.4 | Very low | 49.7 | Very low | 227 Ų | 227 | 114.6 Ų | 114.6 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | | | trans | -73 | 167.8 | 156.8 | -86 | 175.5 | 74.5 | -161.5 | 4.4 | 108.3 | | |
| 13 | P | 52.8 | Low | 49.6 | Very low | 118 Ų | 118 | 113.9 Ų | 113.9 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | | | cis | -143.3 | -165.3 | 22.3 | 34.9 | -10.4 | 0 | 0 | 0 | 114.7 | | |
| 14 | A | 49.1 | Very low | 50.4 | Low | 92 Ų | 92 | 121.5 Ų | 121.5 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | | | trans | 109.3 | 110.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 15 | A | 46.4 | Very low | 49.8 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | | | trans | 70.5 | 139.6 | 131.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 16 | A | 47.8 | Very low | 49.9 | Very low | 112 Ų | 112 | 124 Ų | 124 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | | | trans | 82.7 | 116.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 17 | G | 44.8 | Very low | 50 | Low | 73 Ų | 73 | 124.6 Ų | 124.6 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | 153.8 | 69.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 18 | A | 54.3 | Low | 49.3 | Very low | 104 Ų | 104 | 123 Ų | 123 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -67.1 | 140.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 19 | P | 54.4 | Low | 49.1 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | | | trans | -112.4 | 126.8 | 150.2 | 31.9 | -21.9 | 0 | 0 | 0 | 110.2 | A21 | P19-A21 PolarHBondContact O-N 3.31Š|
| 20 | A | 47.6 | Very low | 48.3 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | | | trans | -57.8 | 98.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V22 | A20-V22 PolarHBondContact O-N 3.49Š|
| 21 | A | 48 | Very low | 48 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | | | trans | -80.2 | 105.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | P19 A23 | P19-A21 PolarHBondContact O-N 3.31Å; A21-A23 PolarHBondContact O-N 3.49Å |
| 22 | V | 55.3 | Low | 47.9 | Very low | 128 Ų | 128 | 112.8 Ų | 112.8 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -55.5 | 101.2 | 169.3 | 174.5 | 0 | 0 | 0 | 0 | 108.3 | A20 R24 | A20-V22 PolarHBondContact O-N 3.49Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 2.85Å |
| 23 | A | 47.8 | Very low | 48.2 | Very low | 91 Ų | 91 | 108.7 Ų | 108.7 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | -63.9 | 95.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108 | A21 T25 | A21-A23 PolarHBondContact O-N 3.49Å; A23-T25 VanDerWaalsContact C-N 3.35Å; A23-T25 PolarHBondContact O-N 3.48Å |
| 24 | R | 56.7 | Low | 48.2 | Very low | 234 Ų | 234 | 107.1 Ų | 107.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -67.1 | 99.6 | 164.8 | -74.3 | -178.1 | 149.2 | -179.8 | -5.1 | 107 | V22 A26 | V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 2.85Å; R24-A26 PolarHBondContact O-N 3.17Å |
| 25 | T | 45.7 | Very low | 48.3 | Very low | 130 Ų | 130 | 107 Ų | 107 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | | | trans | -50 | 112.3 | 166.7 | 14.4 | 0 | 0 | 0 | 0 | 108.6 | A23 V27 | A23-T25 VanDerWaalsContact C-N 3.35Å; A23-T25 PolarHBondContact O-N 3.48Å; T25-V27 VanDerWaalsContact C-N 3.32Å; T25-V27 PolarHBondContact O-N 3.44Å |
| 26 | A | 47.2 | Very low | 48.5 | Very low | 99 Ų | 99 | 108.2 Ų | 108.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -62 | 96.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | R24 G28 | R24-A26 PolarHBondContact O-N 3.17Å; A26-G28 PolarHBondContact O-N 2.82Å; A26-G28 VanDerWaalsContact O-N 3.11Å |
| 27 | V | 52.1 | Low | 48.8 | Very low | 141 Ų | 141 | 114 Ų | 114 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | | | trans | -61.4 | 115.2 | 165.4 | 174.5 | 0 | 0 | 0 | 0 | 106.1 | T25 A29 | T25-V27 VanDerWaalsContact C-N 3.32Å; T25-V27 PolarHBondContact O-N 3.44Å; V27-A29 PolarHBondContact O-N 3.25Å |
| 28 | G | 37.9 | Very low | 49.2 | Very low | 65 Ų | 65 | 113.3 Ų | 113.3 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | | | trans | -44.7 | 125.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A26 G30 | A26-G28 PolarHBondContact O-N 2.82Å; A26-G28 VanDerWaalsContact O-N 3.11Å; G28-G30 PolarHBondContact O-N 2.9Å |
| 29 | A | 42.9 | Very low | 49.4 | Very low | 104 Ų | 104 | 115.6 Ų | 115.6 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | -63.6 | 83.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | V27 G31 | V27-A29 PolarHBondContact O-N 3.25Å; A29-G31 PolarHBondContact O-N 2.9Å |
| 30 | G | 38.2 | Very low | 49.9 | Very low | 74 Ų | 74 | 112.6 Ų | 112.6 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | | | trans | -62.3 | 91.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | G28 A32 | G28-G30 PolarHBondContact O-N 2.9Å; G30-A32 PolarHBondContact O-N 3.12Å |
| 31 | G | 40.7 | Very low | 51.4 | Low | 64 Ų | 64 | 109.4 Ų | 109.4 | 66% | 0.66 | 71% | 0.714 | S | S | * | * | | | trans | -53.5 | 109.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | A29 V33 | A29-G31 PolarHBondContact O-N 2.9Å; G31-V33 VanDerWaalsContact C-N 3.34Å; G31-V33 PolarHBondContact O-N 3.01Å |
| 32 | A | 48.6 | Very low | 53.3 | Low | 94 Ų | 94 | 113.4 Ų | 113.4 | 78% | 0.777 | 71% | 0.708 | S | S | * | * | | | trans | -57.4 | 106.3 | 167 | 0 | 0 | 0 | 0 | 0 | 105.7 | G30 A34 | G30-A32 PolarHBondContact O-N 3.12Å; A32-A34 PolarHBondContact O-N 3.04Å |
| 33 | V | 53.3 | Low | 55 | Low | 141 Ų | 141 | 107.3 Ų | 107.3 | 86% | 0.855 | 67% | 0.671 | S | S | * | * | | | trans | -58.3 | 98.8 | 165.2 | 179.2 | 0 | 0 | 0 | 0 | 104.5 | G31 D35 | G31-V33 VanDerWaalsContact C-N 3.34Å; G31-V33 PolarHBondContact O-N 3.01Å; V33-D35 PolarHBondContact O-N 3.34Å; V33-D35 VanDerWaalsContact O-N 3.08Å |
| 34 | A | 53.1 | Low | 56.9 | Low | 84 Ų | 84 | 105.8 Ų | 105.8 | 69% | 0.694 | 65% | 0.653 | S | S | * | * | | | trans | -63.8 | 111.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | A32 P36 | A32-A34 PolarHBondContact O-N 3.04Å; A34-P36 VanDerWaalsContact O-CD 3.28Å; A34-P36 WeakPolarHBondContact O-CD 2.97Å; A34-P36 VanDerWaalsContact O-N 3.12Å |
| 35 | D | 51 | Low | 58.2 | Low | 91 Ų | 91 | 98 Ų | 98 | 49% | 0.487 | 62% | 0.624 | S | S | . | * | | | trans | -53.9 | 115.6 | 172.1 | -179.1 | -12.8 | 0 | 0 | 0 | 108.3 | V33 R37 A38 | V33-D35 PolarHBondContact O-N 3.34Å; V33-D35 VanDerWaalsContact O-N 3.08Å; D35-R37 PolarHBondContact O-N 3.11Å; D35-R37 WeakPolarHBondContact OD1-CB 3.41Å; D35-R37 PolarHBondContact OD1-N 2.82Å; D35-A38 PolarHBondContact O-N 3.31Å |
| 36 | P | 51.5 | Low | 60.3 | Low | 127 Ų | 127 | 94.1 Ų | 94.1 | 83% | 0.825 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -1.6 | -177.5 | 27.2 | -33.8 | 0 | 0 | 0 | 113.5 | A34 | A34-P36 VanDerWaalsContact O-CD 3.28Å; A34-P36 WeakPolarHBondContact O-CD 2.97Å; A34-P36 VanDerWaalsContact O-N 3.12Å |
| 37 | R | 53.9 | Low | 62.3 | Low | 232 Ų | 232 | 94.5 Ų | 94.5 | 88% | 0.875 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -12.2 | 171.5 | -61.2 | -176.9 | 177.9 | 132.8 | -2.3 | 113.7 | D35 E39 | D35-R37 PolarHBondContact O-N 3.11Å; D35-R37 WeakPolarHBondContact OD1-CB 3.41Å; D35-R37 PolarHBondContact OD1-N 2.82Å; R37-E39 PolarHBondContact O-N 3.47Å |
| 38 | A | 53 | Low | 64 | Low | 60 Ų | 60 | 88.7 Ų | 88.7 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -93.1 | 88.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | D35 A40 | D35-A38 PolarHBondContact O-N 3.31Å; A38-A40 VanDerWaalsContact O-CA 3.3Å; A38-A40 WeakPolarHBondContact O-CA 3.43Å; A38-A40 PolarHBondContact O-N 2.83Å |
| 39 | E | 59.1 | Low | 66.6 | Low | 152 Ų | 152 | 88.3 Ų | 88.3 | 71% | 0.71 | 55% | 0.547 | S | S | * | . | | | trans | -46.8 | 99.4 | 155.1 | -178.1 | 71.2 | -143.8 | 0 | 0 | 105.7 | R37 L41 | R37-E39 PolarHBondContact O-N 3.47Å; E39-L41 VanDerWaalsContact C-N 3.29Å; E39-L41 WeakPolarHBondContact O-CG 3.26Å; E39-L41 PolarHBondContact O-N 3.33Å |
| 40 | A | 63.7 | Low | 68.9 | Low | 55 Ų | 55 | 88.4 Ų | 88.4 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | | | trans | -70.1 | 91 | -154.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | A38 R42 | A38-A40 VanDerWaalsContact O-CA 3.3Å; A38-A40 WeakPolarHBondContact O-CA 3.43Å; A38-A40 PolarHBondContact O-N 2.83Å; A40-R42 PolarHBondContact O-N 2.92Å |
| 41 | L | 79.3 | Confident | 71.5 | Confident | 36 Ų | 36 | 86.3 Ų | 86.3 | 19% | 0.188 | 51% | 0.505 | C | S | . | . | | | trans | -59.2 | 115.2 | -171.2 | -76.4 | 165.5 | 0 | 0 | 0 | 109.5 | E39 T51 H66 W75 R77 | E39-L41 VanDerWaalsContact C-N 3.29Å; E39-L41 WeakPolarHBondContact O-CG 3.26Å; E39-L41 PolarHBondContact O-N 3.33Å; L41-T51 WeakPolarHBondContact O-CB 3.29Å; L41-T51 WeakPolarHBondContact O-CG2 3.4Å; L41-T51 PolarHBondContact O-OG1 3.32Å; L41-H66 WeakPolarHBondContact CD1-NE2 3.42Å; L41-W75 HydrophobicContact CB-CH2 3.36Å; L41-W75 HydrophobicContact CB-CZ2 3.81Å; L41-W75 HydrophobicContact CB-CZ3 4.4Å; L41-W75 HydrophobicContact CD1-CH2 3.78Å; L41-W75 HydrophobicContact CD2-CH2 4.43Å; L41-W75 HydrophobicContact CG-CH2 4.04Å; L41-R77 HydrophobicContact CD1-CB 4.18Å; L41-R77 HydrophobicContact CD1-CG 4.15Å; L41-R77 HydrophobicContact CD2-CG 3.84Å |
| 42 | R | 88.8 | Confident | 74 | Confident | 180 Ų | 180 | 90.9 Ų | 90.9 | 68% | 0.679 | 51% | 0.507 | S | S | * | . | | | trans | -71.8 | 135.9 | 178.8 | -64.3 | -172.4 | -178.3 | -175.2 | 0.9 | 109.2 | A40 P44 | A40-R42 PolarHBondContact O-N 2.92Å; R42-P44 WeakPolarHBondContact O-CD 3.29Å |
| 43 | C | 90.1 | Very high | 76 | Confident | 0 Ų | 0 | 90.5 Ų | 90.5 | 0% | 0 | 49% | 0.488 | C | S | . | . | | | trans | -67 | 119.7 | 174.4 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | R45 C46 D47 S48 T51 C68 | C43-R45 PolarHBondContact O-N 2.79Å; C43-C46 PolarHBondContact O-N 3.46Å; C43-D47 VanDerWaalsContact O-CA 3.29Å; C43-D47 WeakPolarHBondContact O-CA 3.43Å; C43-D47 PolarHBondContact O-N 3.44Å; C43-S48 PolarHBondContact N-O 2.82Å; C43-S48 VanDerWaalsContact N-O 3.11Å; C43-T51 HydrophobicContact CB-CG2 3.72Å; C43-C68 HydrophobicContact CB-CB 3.85Å; C43-C68 VanDerWaalsContact CB-SG 3.55Å; C43-C68 VanDerWaalsContact SG-CB 3.5Å; C43-C68 VanDerWaalsContact SG-SG 3.68Å |
| 44 | P | 87.8 | Confident | 77.9 | Confident | 58 Ų | 58 | 86.6 Ų | 86.6 | 38% | 0.377 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -2 | -177.3 | 28.5 | -36.8 | 0 | 0 | 0 | 114.2 | R42 L81 | R42-P44 WeakPolarHBondContact O-CD 3.29Å; P44-L81 HydrophobicContact CB-CD2 4.4Å; P44-L81 HydrophobicContact CG-CD1 4.38Å |
| 45 | R | 84.5 | Confident | 79.8 | Confident | 70 Ų | 70 | 87.6 Ų | 87.6 | 26% | 0.264 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -27.2 | 179 | -65.7 | -174.5 | 170.2 | 173.5 | -5.1 | 113.7 | C43 R73 | C43-R45 PolarHBondContact O-N 2.79Å; R45-R73 VanDerWaalsContact NH1-CD 3.25Å |
| 46 | C | 89 | Confident | 81.8 | Confident | 50 Ų | 50 | 88.5 Ų | 88.5 | 34% | 0.338 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.8 | 10.2 | -172.3 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | C43 S48 C71 | C43-C46 PolarHBondContact O-N 3.46Å; C46-S48 PolarHBondContact O-N 3.1Å; C46-S48 PolarHBondContact SG-OG 2.91Å; C46-C71 HydrophobicContact CB-CB 4.18Å; C46-C71 VanDerWaalsContact SG-SG 3.64Å |
| 47 | D | 89.2 | Confident | 83.4 | Confident | 107 Ų | 107 | 83.8 Ų | 83.8 | 57% | 0.572 | 42% | 0.418 | S | S | * | . | | | trans | 52.9 | 15 | 177.9 | -55.1 | -49.3 | 0 | 0 | 0 | 116.1 | C43 | C43-D47 VanDerWaalsContact O-CA 3.29Å; C43-D47 WeakPolarHBondContact O-CA 3.43Å; C43-D47 PolarHBondContact O-N 3.44Å |
| 48 | S | 89.4 | Confident | 84 | Confident | 18 Ų | 18 | 78.7 Ų | 78.7 | 13% | 0.126 | 41% | 0.408 | C | S | . | . | | | trans | -76.6 | 135.7 | -178.5 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | C43 C46 N50 C68 A70 | C43-S48 PolarHBondContact N-O 2.82Å; C43-S48 VanDerWaalsContact N-O 3.11Å; C46-S48 PolarHBondContact O-N 3.1Å; C46-S48 PolarHBondContact SG-OG 2.91Å; S48-N50 PolarHBondContact O-N 2.93Å; S48-C68 PolarHBondContact OG-SG 3.09Å; S48-A70 WeakPolarHBondContact OG-CB 3.49Å |
| 49 | A | 92.6 | Very high | 84.8 | Confident | 58 Ų | 58 | 87 Ų | 87 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -73.3 | -4.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T51 | A49-T51 PolarHBondContact O-N 2.85Š|
| 50 | N | 90.5 | Very high | 85.6 | Confident | 105 Ų | 105 | 81.4 Ų | 81.4 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | | | trans | -82.7 | 59.6 | -179.4 | -71.7 | -77.3 | 0 | 0 | 0 | 111.8 | S48 K69 | S48-N50 PolarHBondContact O-N 2.93Å; N50-K69 HydrophobicContact CB-CB 4.13Å; N50-K69 PolarHBondContact O-N 3.11Å |
| 51 | T | 92.5 | Very high | 86.5 | Confident | 30 Ų | 30 | 85.4 Ų | 85.4 | 18% | 0.184 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 146.9 | 174.6 | 72.8 | 0 | 0 | 0 | 0 | 110.5 | L41 C43 A49 F67 C68 W75 | L41-T51 WeakPolarHBondContact O-CB 3.29Å; L41-T51 WeakPolarHBondContact O-CG2 3.4Å; L41-T51 PolarHBondContact O-OG1 3.32Å; C43-T51 HydrophobicContact CB-CG2 3.72Å; A49-T51 PolarHBondContact O-N 2.85Å; T51-F67 CarbonylContact C-O 3.49Å; T51-F67 VanDerWaalsContact CA-O 3.32Å; T51-F67 WeakPolarHBondContact CA-O 3.23Å; T51-C68 HydrophobicContact CG2-CB 4.23Å; T51-W75 HydrophobicContact CG2-CZ2 3.74Å |
| 52 | K | 93.2 | Very high | 86.8 | Confident | 161 Ų | 161 | 88.9 Ų | 88.9 | 70% | 0.7 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 138.1 | 176.7 | -168 | -173 | 172.2 | 169.7 | 0 | 109.1 | C54 H66 F67 | K52-C54 PolarHBondContact O-N 3.49Å; K52-H66 CarbonylContact O-C 3.49Å; K52-H66 VanDerWaalsContact O-CA 3.27Å; K52-H66 WeakPolarHBondContact O-CA 3.33Å; K52-F67 PolarHBondContact N-O 3.32Å; K52-F67 PolarHBondContact O-N 3.38Å |
| 53 | F | 91.7 | Very high | 86.6 | Confident | 85 Ų | 85 | 83.9 Ų | 83.9 | 37% | 0.373 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 134.8 | 164.8 | 175.4 | -97.8 | 0 | 0 | 0 | 110.2 | Y56 P64 | F53-Y56 HydrophobicContact CE1-CE2 4.28Å; F53-Y56 HydrophobicContact CE2-CD1 4.18Å; F53-Y56 HydrophobicContact CE2-CD2 4.39Å; F53-Y56 AromaticContact CE2-CE1 3.9Å; F53-Y56 HydrophobicContact CE2-CE1 3.9Å; F53-Y56 HydrophobicContact CE2-CE2 4.13Å; F53-Y56 HydrophobicContact CE2-CG 4.41Å; F53-Y56 AromaticContact CE2-CZ 3.87Å; F53-Y56 HydrophobicContact CZ-CD1 4.26Å; F53-Y56 AromaticContact CZ-CD2 3.67Å; F53-Y56 HydrophobicContact CZ-CD2 3.67Å; F53-Y56 HydrophobicContact CZ-CE1 4.07Å; F53-Y56 AromaticContact CZ-CE2 3.44Å; F53-Y56 HydrophobicContact CZ-CE2 3.44Å; F53-Y56 VanDerWaalsContact CZ-CE2 3.44Å; F53-Y56 HydrophobicContact CZ-CG 4.07Å; F53-Y56 AromaticContact CZ-CZ 3.65Å; F53-P64 HydrophobicContact CD2-CB 3.93Å; F53-P64 HydrophobicContact CE2-CB 3.61Å |
| 54 | C | 92.6 | Very high | 86.7 | Confident | 60 Ų | 60 | 85.4 Ų | 85.4 | 41% | 0.405 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -56 | -176.9 | -162.3 | 0 | 0 | 0 | 0 | 112.2 | K52 R65 F67 Y74 | K52-C54 PolarHBondContact O-N 3.49Å; C54-R65 PolarHBondContact N-O 3.35Å; C54-F67 HydrophobicContact CB-CB 4.29Å; C54-Y74 HydrophobicContact CB-CD1 4.48Å; C54-Y74 HydrophobicContact CB-CE1 4.17Å |
| 55 | Y | 93.4 | Very high | 86.9 | Confident | 104 Ų | 104 | 84.9 Ų | 84.9 | 41% | 0.408 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 167.7 | 179.6 | 63.2 | -80.4 | 0 | 0 | 0 | 110.1 | R65 Y74 | Y55-R65 VanDerWaalsContact CE2-CD 3.47Å; Y55-R65 WeakPolarHBondContact O-CA 3.33Å; Y55-R65 VanDerWaalsContact O-CB 3.32Å; Y55-R65 WeakPolarHBondContact O-CB 3.29Å; Y55-R65 PolarHBondContact O-N 2.69Å; Y55-R65 WeakPolarHBondContact OH-CD 3.29Å; Y55-Y74 HydrophobicContact CE1-CE1 4.24Å |
| 56 | Y | 92 | Very high | 87.3 | Confident | 111 Ų | 111 | 82.5 Ų | 82.5 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 142.3 | 171.5 | -67 | -75.2 | 0 | 0 | 0 | 111 | F53 L61 P64 | F53-Y56 HydrophobicContact CE1-CE2 4.28Å; F53-Y56 HydrophobicContact CE2-CD1 4.18Å; F53-Y56 HydrophobicContact CE2-CD2 4.39Å; F53-Y56 AromaticContact CE2-CE1 3.9Å; F53-Y56 HydrophobicContact CE2-CE1 3.9Å; F53-Y56 HydrophobicContact CE2-CE2 4.13Å; F53-Y56 HydrophobicContact CE2-CG 4.41Å; F53-Y56 AromaticContact CE2-CZ 3.87Å; F53-Y56 HydrophobicContact CZ-CD1 4.26Å; F53-Y56 AromaticContact CZ-CD2 3.67Å; F53-Y56 HydrophobicContact CZ-CD2 3.67Å; F53-Y56 HydrophobicContact CZ-CE1 4.07Å; F53-Y56 AromaticContact CZ-CE2 3.44Å; F53-Y56 HydrophobicContact CZ-CE2 3.44Å; F53-Y56 VanDerWaalsContact CZ-CE2 3.44Å; F53-Y56 HydrophobicContact CZ-CG 4.07Å; F53-Y56 AromaticContact CZ-CZ 3.65Å; Y56-L61 HydrophobicContact CD1-CD2 4.46Å; Y56-L61 WeakPolarHBondContact CD1-O 3.2Å; Y56-L61 HydrophobicContact CD2-CD2 3.86Å; Y56-L61 VanDerWaalsContact CE1-O 3.26Å; Y56-L61 WeakPolarHBondContact CE1-O 3.29Å; Y56-L61 HydrophobicContact CE2-CD2 3.99Å; Y56-L61 HydrophobicContact CG-CD2 4.12Å; Y56-P64 HydrophobicContact CD1-CB 4.08Å; Y56-P64 HydrophobicContact CE1-CB 3.81Å |
| 57 | N | 86.2 | Confident | 87.5 | Confident | 28 Ų | 28 | 83 Ų | 83 | 15% | 0.15 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -79.7 | 135.2 | 178 | -167.7 | 41.4 | 0 | 0 | 0 | 112.2 | Y59 S60 Q63 R65 | N57-Y59 PolarHBondContact O-N 2.97Å; N57-S60 PolarHBondContact O-N 3.04Å; N57-S60 PolarHBondContact O-OG 2.95Å; N57-Q63 HydrophobicContact CB-CB 4.17Å; N57-Q63 HydrophobicContact CB-CG 4.19Å; N57-Q63 PolarHBondContact N-O 2.92Å; N57-Q63 VanDerWaalsContact N-O 3.15Å; N57-Q63 PolarHBondContact ND2-OE1 3.27Å; N57-R65 HydrophobicContact CB-CG 4.39Å; N57-R65 PolarHBondContact ND2-NH2 3.47Å; N57-R65 VanDerWaalsContact ND2-NH2 3.11Å; N57-R65 PolarHBondContact OD1-NE 2.87Å; N57-R65 PolarHBondContact OD1-NH2 2.85Å |
| 58 | N | 66.4 | Low | 87.7 | Confident | 124 Ų | 124 | 78 Ų | 78 | 66% | 0.663 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 29.8 | 66.6 | 169.9 | -74.3 | -27.5 | 0 | 0 | 0 | 114.7 | S60 | N58-S60 PolarHBondContact O-N 3.12Š|
| 59 | Y | 69.5 | Low | 87.8 | Confident | 235 Ų | 235 | 84.4 Ų | 84.4 | 92% | 0.922 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 4.5 | 170.3 | -45 | -79.8 | 0 | 0 | 0 | 115.8 | N57 | N57-Y59 PolarHBondContact O-N 2.97Š|
| 60 | S | 76.1 | Confident | 87.8 | Confident | 34 Ų | 34 | 84.2 Ų | 84.2 | 24% | 0.238 | 42% | 0.416 | C | S | . | . | | | trans | -101.3 | 116.4 | 175.4 | 68.7 | 0 | 0 | 0 | 0 | 111 | N57 N58 S62 Q63 | N57-S60 PolarHBondContact O-N 3.04Å; N57-S60 PolarHBondContact O-OG 2.95Å; N58-S60 PolarHBondContact O-N 3.12Å; S60-S62 PolarHBondContact O-N 2.82Å; S60-Q63 PolarHBondContact O-N 2.97Å |
| 61 | L | 82.1 | Confident | 87.8 | Confident | 140 Ų | 140 | 80.1 Ų | 80.1 | 73% | 0.733 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.6 | 171.8 | -63.3 | 178.3 | 0 | 0 | 0 | 112.1 | Y56 Q63 | Y56-L61 HydrophobicContact CD1-CD2 4.46Å; Y56-L61 WeakPolarHBondContact CD1-O 3.2Å; Y56-L61 HydrophobicContact CD2-CD2 3.86Å; Y56-L61 VanDerWaalsContact CE1-O 3.26Å; Y56-L61 WeakPolarHBondContact CE1-O 3.29Å; Y56-L61 HydrophobicContact CE2-CD2 3.99Å; Y56-L61 HydrophobicContact CG-CD2 4.12Å; L61-Q63 VanDerWaalsContact C-N 3.3Å; L61-Q63 PolarHBondContact O-N 3.23Å |
| 62 | S | 85.4 | Confident | 87.8 | Confident | 109 Ų | 109 | 86.7 Ų | 86.7 | 76% | 0.762 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -10.5 | 178.7 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | S60 P64 | S60-S62 PolarHBondContact O-N 2.82Å; S62-P64 VanDerWaalsContact C-CD 3.4Å; S62-P64 VanDerWaalsContact O-CD 3.25Å; S62-P64 WeakPolarHBondContact O-CD 3.22Å |
| 63 | Q | 85.6 | Confident | 87.7 | Confident | 74 Ų | 74 | 83.5 Ų | 83.5 | 35% | 0.346 | 41% | 0.405 | S | S | . | . | | | trans | -122 | 70.8 | -176.1 | -158.5 | 175.9 | 36.3 | 0 | 0 | 113.3 | N57 S60 L61 R65 T76 | N57-Q63 HydrophobicContact CB-CB 4.17Å; N57-Q63 HydrophobicContact CB-CG 4.19Å; N57-Q63 PolarHBondContact N-O 2.92Å; N57-Q63 VanDerWaalsContact N-O 3.15Å; N57-Q63 PolarHBondContact ND2-OE1 3.27Å; S60-Q63 PolarHBondContact O-N 2.97Å; L61-Q63 VanDerWaalsContact C-N 3.3Å; L61-Q63 PolarHBondContact O-N 3.23Å; Q63-R65 PolarHBondContact O-N 2.86Å; Q63-T76 HydrophobicContact CG-CG2 4.27Å |
| 64 | P | 90.6 | Very high | 87.7 | Confident | 33 Ų | 33 | 84.9 Ų | 84.9 | 21% | 0.214 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 122.8 | 178 | 27.7 | -34.1 | 0 | 0 | 0 | 112.1 | F53 Y56 S62 H66 | F53-P64 HydrophobicContact CD2-CB 3.93Å; F53-P64 HydrophobicContact CE2-CB 3.61Å; Y56-P64 HydrophobicContact CD1-CB 4.08Å; Y56-P64 HydrophobicContact CE1-CB 3.81Å; S62-P64 VanDerWaalsContact C-CD 3.4Å; S62-P64 VanDerWaalsContact O-CD 3.25Å; S62-P64 WeakPolarHBondContact O-CD 3.22Å; P64-H66 PolarHBondContact O-ND1 2.81Å |
| 65 | R | 92 | Very high | 87.5 | Confident | 46 Ų | 46 | 82.9 Ų | 82.9 | 17% | 0.174 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 134.2 | 172.8 | -63.6 | -179.4 | 175.5 | -74.4 | 2.2 | 110.9 | C54 Y55 N57 Q63 T76 | C54-R65 PolarHBondContact N-O 3.35Å; Y55-R65 VanDerWaalsContact CE2-CD 3.47Å; Y55-R65 WeakPolarHBondContact O-CA 3.33Å; Y55-R65 VanDerWaalsContact O-CB 3.32Å; Y55-R65 WeakPolarHBondContact O-CB 3.29Å; Y55-R65 PolarHBondContact O-N 2.69Å; Y55-R65 WeakPolarHBondContact OH-CD 3.29Å; N57-R65 HydrophobicContact CB-CG 4.39Å; N57-R65 PolarHBondContact ND2-NH2 3.47Å; N57-R65 VanDerWaalsContact ND2-NH2 3.11Å; N57-R65 PolarHBondContact OD1-NE 2.87Å; N57-R65 PolarHBondContact OD1-NH2 2.85Å; Q63-R65 PolarHBondContact O-N 2.86Å; R65-T76 HydrophobicContact CG-CG2 3.95Å |
| 66 | H | 93.1 | Very high | 87.4 | Confident | 21 Ų | 21 | 79.3 Ų | 79.3 | 10% | 0.097 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.4 | 177.8 | -63.9 | 74.2 | 0 | 0 | 0 | 109.6 | L41 K52 P64 Y74 W75 | L41-H66 WeakPolarHBondContact CD1-NE2 3.42Å; K52-H66 CarbonylContact O-C 3.49Å; K52-H66 VanDerWaalsContact O-CA 3.27Å; K52-H66 WeakPolarHBondContact O-CA 3.33Å; P64-H66 PolarHBondContact O-ND1 2.81Å; H66-Y74 CarbonylContact O-C 3.47Å; H66-Y74 VanDerWaalsContact O-CA 3.24Å; H66-Y74 WeakPolarHBondContact O-CA 3.39Å; H66-W75 HydrophobicContact CB-CD2 3.89Å; H66-W75 HydrophobicContact CB-CE3 4.42Å; H66-W75 HydrophobicContact CB-CG 4.38Å; H66-W75 HydrophobicContact CB-CH2 3.74Å; H66-W75 HydrophobicContact CB-CZ2 3.26Å; H66-W75 HydrophobicContact CB-CZ3 4.35Å; H66-W75 AromaticContact CD2-CH2 3.86Å; H66-W75 AromaticContact CD2-CZ2 3.89Å; H66-W75 AromaticContact CG-CH2 3.54Å; H66-W75 AromaticContact CG-CZ2 3.55Å; H66-W75 PolarHBondContact N-O 3.08Å; H66-W75 AromaticContact ND1-CH2 3.86Å; H66-W75 PolarHBondContact O-N 2.97Å |
| 67 | F | 92.8 | Very high | 86.9 | Confident | 61 Ų | 61 | 81.1 Ų | 81.1 | 27% | 0.268 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.3 | 172.9 | -177.9 | -104.7 | 0 | 0 | 0 | 109.9 | T51 K52 C54 K72 Y74 | T51-F67 CarbonylContact C-O 3.49Å; T51-F67 VanDerWaalsContact CA-O 3.32Å; T51-F67 WeakPolarHBondContact CA-O 3.23Å; K52-F67 PolarHBondContact N-O 3.32Å; K52-F67 PolarHBondContact O-N 3.38Å; C54-F67 HydrophobicContact CB-CB 4.29Å; F67-K72 HydrophobicContact CE2-CB 4.49Å; F67-K72 HydrophobicContact CZ-CB 4.12Å; F67-K72 HydrophobicContact CZ-CG 4.48Å; F67-Y74 HydrophobicContact CB-CD1 3.99Å; F67-Y74 HydrophobicContact CB-CE1 3.9Å; F67-Y74 AromaticContact CD2-CD1 3.82Å; F67-Y74 HydrophobicContact CD2-CD1 3.82Å; F67-Y74 HydrophobicContact CD2-CD2 4.49Å; F67-Y74 AromaticContact CD2-CE1 3.53Å; F67-Y74 HydrophobicContact CD2-CE1 3.53Å; F67-Y74 HydrophobicContact CD2-CE2 4.23Å; F67-Y74 HydrophobicContact CD2-CG 4.29Å; F67-Y74 AromaticContact CD2-CZ 3.75Å; F67-Y74 HydrophobicContact CE2-CE1 4.46Å; F67-Y74 HydrophobicContact CG-CD1 4.41Å; F67-Y74 HydrophobicContact CG-CE1 4.11Å |
| 68 | C | 93.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119.4 | 171.9 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | C43 S48 T51 A70 C71 K72 R73 | C43-C68 HydrophobicContact CB-CB 3.85Å; C43-C68 VanDerWaalsContact CB-SG 3.55Å; C43-C68 VanDerWaalsContact SG-CB 3.5Å; C43-C68 VanDerWaalsContact SG-SG 3.68Å; S48-C68 PolarHBondContact OG-SG 3.09Å; T51-C68 HydrophobicContact CG2-CB 4.23Å; C68-A70 VanDerWaalsContact C-N 3.33Å; C68-A70 PolarHBondContact O-N 2.82Å; C68-C71 VanDerWaalsContact CB-SG 3.58Å; C68-C71 PolarHBondContact SG-SG 2.87Å; C68-K72 WeakPolarHBondContact O-CA 3.18Å; C68-K72 PolarHBondContact O-N 3.02Å; C68-R73 PolarHBondContact N-O 3.36Å; C68-R73 PolarHBondContact O-N 3.14Å |
| 69 | K | 92.1 | Very high | 87.1 | Confident | 154 Ų | 154 | 79.8 Ų | 79.8 | 67% | 0.67 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -30.6 | 179.2 | -166.4 | 176.3 | -179.2 | -177.4 | 0 | 112.5 | N50 | N50-K69 HydrophobicContact CB-CB 4.13Å; N50-K69 PolarHBondContact O-N 3.11Å |
| 70 | A | 91.9 | Very high | 87 | Confident | 53 Ų | 53 | 75 Ų | 75 | 44% | 0.438 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -47.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S48 C68 | S48-A70 WeakPolarHBondContact OG-CB 3.49Å; C68-A70 VanDerWaalsContact C-N 3.33Å; C68-A70 PolarHBondContact O-N 2.82Å |
| 71 | C | 91.1 | Very high | 86.6 | Confident | 20 Ų | 20 | 76.2 Ų | 76.2 | 14% | 0.135 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 1.4 | -179.7 | 69 | 0 | 0 | 0 | 0 | 114.3 | C46 C68 R73 | C46-C71 HydrophobicContact CB-CB 4.18Å; C46-C71 VanDerWaalsContact SG-SG 3.64Å; C68-C71 VanDerWaalsContact CB-SG 3.58Å; C68-C71 PolarHBondContact SG-SG 2.87Å; C71-R73 VanDerWaalsContact C-N 3.26Å; C71-R73 WeakPolarHBondContact O-CG 3.29Å; C71-R73 PolarHBondContact O-N 2.79Å |
| 72 | K | 92.1 | Very high | 86.2 | Confident | 167 Ų | 167 | 79.2 Ų | 79.2 | 73% | 0.726 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 40 | -180 | -57 | -172.8 | 179.2 | -165.8 | 0 | 113.6 | F67 C68 | F67-K72 HydrophobicContact CE2-CB 4.49Å; F67-K72 HydrophobicContact CZ-CB 4.12Å; F67-K72 HydrophobicContact CZ-CG 4.48Å; C68-K72 WeakPolarHBondContact O-CA 3.18Å; C68-K72 PolarHBondContact O-N 3.02Å |
| 73 | R | 90.8 | Very high | 84.8 | Confident | 94 Ų | 94 | 81.9 Ų | 81.9 | 36% | 0.355 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.6 | -176.2 | -79.2 | 163.2 | 167.9 | -130.6 | 10.7 | 110.9 | R45 C68 C71 | R45-R73 VanDerWaalsContact NH1-CD 3.25Å; C68-R73 PolarHBondContact N-O 3.36Å; C68-R73 PolarHBondContact O-N 3.14Å; C71-R73 VanDerWaalsContact C-N 3.26Å; C71-R73 WeakPolarHBondContact O-CG 3.29Å; C71-R73 PolarHBondContact O-N 2.79Å |
| 74 | Y | 92.1 | Very high | 83.4 | Confident | 114 Ų | 114 | 80 Ų | 80 | 45% | 0.447 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 144.3 | 170.2 | -59.7 | -79 | 0 | 0 | 0 | 111.2 | C54 Y55 H66 F67 | C54-Y74 HydrophobicContact CB-CD1 4.48Å; C54-Y74 HydrophobicContact CB-CE1 4.17Å; Y55-Y74 HydrophobicContact CE1-CE1 4.24Å; H66-Y74 CarbonylContact O-C 3.47Å; H66-Y74 VanDerWaalsContact O-CA 3.24Å; H66-Y74 WeakPolarHBondContact O-CA 3.39Å; F67-Y74 HydrophobicContact CB-CD1 3.99Å; F67-Y74 HydrophobicContact CB-CE1 3.9Å; F67-Y74 AromaticContact CD2-CD1 3.82Å; F67-Y74 HydrophobicContact CD2-CD1 3.82Å; F67-Y74 HydrophobicContact CD2-CD2 4.49Å; F67-Y74 AromaticContact CD2-CE1 3.53Å; F67-Y74 HydrophobicContact CD2-CE1 3.53Å; F67-Y74 HydrophobicContact CD2-CE2 4.23Å; F67-Y74 HydrophobicContact CD2-CG 4.29Å; F67-Y74 AromaticContact CD2-CZ 3.75Å; F67-Y74 HydrophobicContact CE2-CE1 4.46Å; F67-Y74 HydrophobicContact CG-CD1 4.41Å; F67-Y74 HydrophobicContact CG-CE1 4.11Å |
| 75 | W | 89.9 | Confident | 82 | Confident | 18 Ų | 18 | 83.2 Ų | 83.2 | 7% | 0.068 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 167.1 | 176.4 | 65.5 | -85.3 | 0 | 0 | 0 | 110.1 | L41 T51 H66 R77 | L41-W75 HydrophobicContact CB-CH2 3.36Å; L41-W75 HydrophobicContact CB-CZ2 3.81Å; L41-W75 HydrophobicContact CB-CZ3 4.4Å; L41-W75 HydrophobicContact CD1-CH2 3.78Å; L41-W75 HydrophobicContact CD2-CH2 4.43Å; L41-W75 HydrophobicContact CG-CH2 4.04Å; T51-W75 HydrophobicContact CG2-CZ2 3.74Å; H66-W75 HydrophobicContact CB-CD2 3.89Å; H66-W75 HydrophobicContact CB-CE3 4.42Å; H66-W75 HydrophobicContact CB-CG 4.38Å; H66-W75 HydrophobicContact CB-CH2 3.74Å; H66-W75 HydrophobicContact CB-CZ2 3.26Å; H66-W75 HydrophobicContact CB-CZ3 4.35Å; H66-W75 AromaticContact CD2-CH2 3.86Å; H66-W75 AromaticContact CD2-CZ2 3.89Å; H66-W75 AromaticContact CG-CH2 3.54Å; H66-W75 AromaticContact CG-CZ2 3.55Å; H66-W75 PolarHBondContact N-O 3.08Å; H66-W75 AromaticContact ND1-CH2 3.86Å; H66-W75 PolarHBondContact O-N 2.97Å; W75-R77 HydrophobicContact CZ3-CB 4.05Å |
| 76 | T | 90.3 | Very high | 80.4 | Confident | 30 Ų | 30 | 87.7 Ų | 87.7 | 18% | 0.184 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.2 | -178.2 | 47.4 | 0 | 0 | 0 | 0 | 109.7 | Q63 R65 G78 | Q63-T76 HydrophobicContact CG-CG2 4.27Å; R65-T76 HydrophobicContact CG-CG2 3.95Å; T76-G78 PolarHBondContact O-N 2.82Å |
| 77 | R | 82.6 | Confident | 78.9 | Confident | 149 Ų | 149 | 90.1 Ų | 90.1 | 56% | 0.562 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 126.3 | 175.7 | -171.2 | -172.3 | -176.7 | 140.1 | 1.5 | 108.8 | L41 W75 G79 | L41-R77 HydrophobicContact CD1-CB 4.18Å; L41-R77 HydrophobicContact CD1-CG 4.15Å; L41-R77 HydrophobicContact CD2-CG 3.84Å; W75-R77 HydrophobicContact CZ3-CB 4.05Å; R77-G79 PolarHBondContact O-N 3.19Å; R77-G79 VanDerWaalsContact O-N 3.16Å |
| 78 | G | 78.7 | Confident | 77.4 | Confident | 87 Ų | 87 | 89.3 Ų | 89.3 | 90% | 0.897 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | -0.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | T76 | T76-G78 PolarHBondContact O-N 2.82Š|
| 79 | G | 76.5 | Confident | 75.9 | Confident | 36 Ų | 36 | 91.4 Ų | 91.4 | 37% | 0.371 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -78.3 | 147.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R77 L81 | R77-G79 PolarHBondContact O-N 3.19Å; R77-G79 VanDerWaalsContact O-N 3.16Å; G79-L81 PolarHBondContact O-N 3.06Å |
| 80 | T | 66.9 | Low | 74.3 | Confident | 134 Ų | 134 | 88.8 Ų | 88.8 | 82% | 0.822 | 52% | 0.524 | S | S | * | . | | | trans | -53.4 | 113.2 | 169 | -54.4 | 0 | 0 | 0 | 0 | 108.3 | R82 | T80-R82 PolarHBondContact O-N 2.9Š|
| 81 | L | 69.2 | Low | 72.9 | Confident | 61 Ų | 61 | 97.2 Ų | 97.2 | 32% | 0.319 | 55% | 0.545 | S | S | . | . | | | trans | -61.9 | 112.5 | 170.7 | -175.7 | 65.6 | 0 | 0 | 0 | 105.4 | P44 G79 N83 V84 | P44-L81 HydrophobicContact CB-CD2 4.4Å; P44-L81 HydrophobicContact CG-CD1 4.38Å; G79-L81 PolarHBondContact O-N 3.06Å; L81-N83 PolarHBondContact O-N 3.31Å; L81-V84 HydrophobicContact CD1-CG2 4.22Å; L81-V84 HydrophobicContact CD2-CB 4.07Å; L81-V84 HydrophobicContact CD2-CG2 4.39Å; L81-V84 HydrophobicContact CG-CB 4.28Å; L81-V84 HydrophobicContact CG-CG2 4.1Å |
| 82 | R | 73.8 | Confident | 71.4 | Confident | 202 Ų | 202 | 105.4 Ų | 105.4 | 76% | 0.762 | 58% | 0.578 | S | S | * | * | | | trans | -44.7 | 114.8 | 170.3 | -64.5 | 178.1 | -176.1 | 160.4 | -1.7 | 106.4 | T80 V84 | T80-R82 PolarHBondContact O-N 2.9Å; R82-V84 WeakPolarHBondContact O-CG2 3.36Å; R82-V84 PolarHBondContact O-N 3.46Å |
| 83 | N | 56.2 | Low | 69.8 | Low | 165 Ų | 165 | 104.2 Ų | 104.2 | 88% | 0.882 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -36.7 | 100.9 | -163.9 | -72.5 | -52.8 | 0 | 0 | 0 | 111.6 | L81 | L81-N83 PolarHBondContact O-N 3.31Š|
| 84 | V | 54.5 | Low | 67.9 | Low | 35 Ų | 35 | 109 Ų | 109 | 21% | 0.212 | 60% | 0.603 | C | S | . | * | | | trans | -112.4 | 111.7 | 177.8 | -179.5 | 0 | 0 | 0 | 0 | 106.1 | L81 R82 V86 | L81-V84 HydrophobicContact CD1-CG2 4.22Å; L81-V84 HydrophobicContact CD2-CB 4.07Å; L81-V84 HydrophobicContact CD2-CG2 4.39Å; L81-V84 HydrophobicContact CG-CB 4.28Å; L81-V84 HydrophobicContact CG-CG2 4.1Å; R82-V84 WeakPolarHBondContact O-CG2 3.36Å; R82-V84 PolarHBondContact O-N 3.46Å; V84-V86 PolarHBondContact O-N 3.49Å |
| 85 | P | 63.2 | Low | 66.3 | Low | 101 Ų | 101 | 114.6 Ų | 114.6 | 66% | 0.656 | 62% | 0.623 | S | S | * | * | | | trans | -58 | 128.8 | 171.3 | 23.4 | -31.5 | 0 | 0 | 0 | 109.2 | G87 G88 | P85-G87 PolarHBondContact O-N 3.15Å; P85-G88 PolarHBondContact O-N 3.16Å; P85-G88 VanDerWaalsContact O-N 3.12Å |
| 86 | V | 57.3 | Low | 64.7 | Low | 139 Ų | 139 | 118.6 Ų | 118.6 | 84% | 0.842 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 109.8 | 175.6 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | V84 | V84-V86 PolarHBondContact O-N 3.49Š|
| 87 | G | 62.3 | Low | 62.9 | Low | 73 Ų | 73 | 122 Ų | 122 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124.4 | -5.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116 | P85 G89 | P85-G87 PolarHBondContact O-N 3.15Å; G87-G89 VanDerWaalsContact C-N 3.33Å; G87-G89 PolarHBondContact O-N 3.21Å |
| 88 | G | 60.5 | Low | 61.3 | Low | 43 Ų | 43 | 126.6 Ų | 126.6 | 44% | 0.443 | 70% | 0.696 | S | S | . | * | | | trans | -74.8 | 64.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | P85 | P85-G88 PolarHBondContact O-N 3.16Å; P85-G88 VanDerWaalsContact O-N 3.12Å |
| 89 | G | 61.2 | Low | 59.9 | Low | 45 Ų | 45 | 127.9 Ų | 127.9 | 46% | 0.464 | 69% | 0.692 | S | S | . | * | | | trans | 76.5 | 84.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | G87 R91 | G87-G89 VanDerWaalsContact C-N 3.33Å; G87-G89 PolarHBondContact O-N 3.21Å; G89-R91 PolarHBondContact O-N 3.42Å; G89-R91 VanDerWaalsContact O-N 3.12Å |
| 90 | C | 59.7 | Low | 58.4 | Low | 99 Ų | 99 | 130.1 Ų | 130.1 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | | | trans | -64.4 | 105.1 | 140.8 | -175.5 | 0 | 0 | 0 | 0 | 106.6 | K92 | C90-K92 VanDerWaalsContact C-N 3.27Å; C90-K92 PolarHBondContact O-N 2.94Å |
| 91 | R | 61.1 | Low | 57.5 | Low | 229 Ų | 229 | 127.4 Ų | 127.4 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | | | trans | -63.9 | 94.2 | 170.5 | -77.9 | -174.5 | 177.7 | -161.9 | -0.3 | 107.2 | G89 N93 | G89-R91 PolarHBondContact O-N 3.42Å; G89-R91 VanDerWaalsContact O-N 3.12Å; R91-N93 PolarHBondContact O-N 3.27Å |
| 92 | K | 59.8 | Low | 56.3 | Low | 192 Ų | 192 | 128.7 Ų | 128.7 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | | | trans | -63.7 | 102.3 | 166.1 | -174.7 | 115.5 | 175.1 | -175.3 | 0 | 106.4 | C90 K94 | C90-K92 VanDerWaalsContact C-N 3.27Å; C90-K92 PolarHBondContact O-N 2.94Å; K92-K94 PolarHBondContact O-N 3.48Å |
| 93 | N | 58.4 | Low | 55.1 | Low | 143 Ų | 143 | 122.8 Ų | 122.8 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | | | trans | -59.5 | 103.7 | 165.9 | -77.9 | 91.1 | 0 | 0 | 0 | 107.6 | R91 R95 | R91-N93 PolarHBondContact O-N 3.27Å; N93-R95 VanDerWaalsContact C-N 3.26Å; N93-R95 PolarHBondContact O-N 3.45Å |
| 94 | K | 52.6 | Low | 54.9 | Low | 193 Ų | 193 | 126.1 Ų | 126.1 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | | | trans | -68.4 | 93.7 | 160.9 | -164.2 | 164.6 | -175.2 | -169.8 | 0 | 105.5 | K92 S96 | K92-K94 PolarHBondContact O-N 3.48Å; K94-S96 PolarHBondContact O-N 2.86Å |
| 95 | R | 58.5 | Low | 54.8 | Low | 233 Ų | 233 | 131.9 Ų | 131.9 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | | | trans | -62.3 | 90.8 | 161.4 | -81.6 | -173.7 | -178.7 | -155.7 | -0 | 106.2 | N93 S97 | N93-R95 VanDerWaalsContact C-N 3.26Å; N93-R95 PolarHBondContact O-N 3.45Å; R95-S97 PolarHBondContact O-N 2.86Å |
| 96 | S | 54.9 | Low | 54.1 | Low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -71.6 | 75.1 | 155 | 43.4 | 0 | 0 | 0 | 0 | 107.2 | K94 R98 | K94-S96 PolarHBondContact O-N 2.86Å; S96-R98 PolarHBondContact O-N 3.28Å; S96-R98 VanDerWaalsContact O-N 3.11Å |
| 97 | S | 52.8 | Low | 53.9 | Low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -68.1 | 106.6 | 160.2 | 51.8 | 0 | 0 | 0 | 0 | 106.4 | R95 S99 | R95-S97 PolarHBondContact O-N 2.86Å; S97-S99 VanDerWaalsContact C-N 3.32Å; S97-S99 PolarHBondContact O-N 2.85Å |
| 98 | R | 48.3 | Very low | 53.3 | Low | 246 Ų | 246 | 131.8 Ų | 131.8 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | | | trans | -56.2 | 94.6 | 170.2 | -68.8 | 164.1 | 76.8 | 171.7 | 3.3 | 108.2 | S96 G100 | S96-R98 PolarHBondContact O-N 3.28Å; S96-R98 VanDerWaalsContact O-N 3.11Å; R98-G100 PolarHBondContact O-N 3.43Å |
| 99 | S | 51.1 | Low | 53 | Low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | -77.7 | 100.4 | 158.6 | 48.3 | 0 | 0 | 0 | 0 | 106.8 | S97 | S97-S99 VanDerWaalsContact C-N 3.32Å; S97-S99 PolarHBondContact O-N 2.85Å |
| 100 | G | 43.2 | Very low | 52.4 | Low | 82 Ų | 82 | 138.2 Ų | 138.2 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | -59.6 | 133.5 | 165 | 0 | 0 | 0 | 0 | 0 | 109.6 | R98 | R98-G100 PolarHBondContact O-N 3.43Š|
| 101 | G | 48.1 | Very low | 52.3 | Low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | | | trans | 170.8 | 88.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 102 | G | 45.8 | Very low | 51.6 | Low | 88 Ų | 88 | 137.4 Ų | 137.4 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | | | trans | 35.7 | 131.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 103 | G | 48 | Very low | 51.2 | Low | 79 Ų | 79 | 133.1 Ų | 133.1 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | | | trans | 152.9 | 80 | 150.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 104 | R | 51.2 | Low | 50.8 | Low | 235 Ų | 235 | 131.5 Ų | 131.5 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | trans | -16.4 | 125.8 | 153.3 | -60.5 | 166.9 | 175.3 | -177.5 | -3.8 | 115.8 | | |
| 105 | N | 52.6 | Low | 50.8 | Low | 156 Ų | 156 | 128.5 Ų | 128.5 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | | | | 177.2 | 110.8 | 116.3 | -92.6 | -4.1 | 0 | 0 | 0 | 110.6 | | |
| 106 | G | 47.6 | Very low | 50.6 | Low | 78 Ų | 78 | 122.2 Ų | 122.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -87.5 | 125.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 107 | S | 54.9 | Low | 50.2 | Low | 116 Ų | 116 | 123.7 Ų | 123.7 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | | | trans | -147.4 | 117.9 | 159.5 | -68.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 108 | S | 49.9 | Very low | 49.9 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | | | trans | -53.5 | 139.9 | 169.3 | 45 | 0 | 0 | 0 | 0 | 114.5 | | |
| 109 | S | 53.6 | Low | 50.2 | Low | 109 Ų | 109 | 118 Ų | 118 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | | | trans | -157.9 | 119.2 | 140.6 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 110 | S | 48.8 | Very low | 49.9 | Very low | 115 Ų | 115 | 117 Ų | 117 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -77.5 | 141.5 | 176.4 | -42.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 111 | F | 56.1 | Low | 50.7 | Low | 191 Ų | 191 | 120.4 Ų | 120.4 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | trans | -143.6 | 120.6 | 148.9 | 51.5 | -87.6 | 0 | 0 | 0 | 108.9 | | |
| 112 | S | 46.6 | Very low | 51.2 | Low | 120 Ų | 120 | 122.4 Ų | 122.4 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | -112.9 | 126.9 | 176.8 | -55.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 113 | S | 52.5 | Low | 51.7 | Low | 102 Ų | 102 | 126.1 Ų | 126.1 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | | | trans | -168.6 | 95.2 | 160.2 | 39.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 114 | S | 49.5 | Very low | 52.8 | Low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | | 74 | 105.5 | 96.7 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 115 | S | 53.6 | Low | 53.9 | Low | 129 Ų | 129 | 122.1 Ų | 122.1 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -175.6 | 123.4 | 130.7 | -76.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 116 | A | 53.4 | Low | 54.8 | Low | 102 Ų | 102 | 120.2 Ų | 120.2 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -79 | 136.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 117 | D | 45.8 | Very low | 55.9 | Low | 132 Ų | 132 | 122.7 Ų | 122.7 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | -154.6 | 118.7 | 137.1 | -161.5 | 86.8 | 0 | 0 | 0 | 107.1 | T119 | D117-T119 PolarHBondContact OD2-N 3.28Å; D117-T119 PolarHBondContact OD2-OG1 3.47Å |
| 118 | S | 47.3 | Very low | 55.7 | Low | 123 Ų | 123 | 123.4 Ų | 123.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -131 | 82.3 | 173.1 | -71 | 0 | 0 | 0 | 0 | 106.3 | A120 | S118-A120 PolarHBondContact O-N 3.05Š|
| 119 | T | 54.5 | Low | 55.9 | Low | 106 Ų | 106 | 124.6 Ų | 124.6 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | trans | -76.3 | 107.1 | 168.3 | -57.4 | 0 | 0 | 0 | 0 | 108.4 | D117 | D117-T119 PolarHBondContact OD2-N 3.28Å; D117-T119 PolarHBondContact OD2-OG1 3.47Å |
| 120 | A | 45.3 | Very low | 55.8 | Low | 93 Ų | 93 | 128.1 Ų | 128.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -64.9 | 128.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S118 | S118-A120 PolarHBondContact O-N 3.05Š|
| 121 | L | 58.7 | Low | 56 | Low | 152 Ų | 152 | 125.9 Ų | 125.9 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | | | trans | -115.5 | 128.1 | 164.1 | -67.1 | -179.8 | 0 | 0 | 0 | 108.9 | | |
| 122 | P | 59.4 | Low | 55.7 | Low | 119 Ų | 119 | 122.4 Ų | 122.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 144.7 | -174.2 | 31.9 | -32.4 | 0 | 0 | 0 | 112.3 | | |
| 123 | L | 56.2 | Low | 55.7 | Low | 166 Ų | 166 | 124.1 Ų | 124.1 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 138.8 | 165.8 | -95 | 66 | 0 | 0 | 0 | 111 | | |
| 124 | P | 72.1 | Confident | 55.9 | Low | 119 Ų | 119 | 125 Ų | 125 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 141 | 162.3 | 31.7 | -30.3 | 0 | 0 | 0 | 111.9 | | |
| 125 | P | 74.3 | Confident | 55.9 | Low | 111 Ų | 111 | 124.8 Ų | 124.8 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 160.1 | 174.1 | 33.7 | -33.8 | 0 | 0 | 0 | 112.5 | | |
| 126 | P | 70.6 | Confident | 55.8 | Low | 117 Ų | 117 | 123.2 Ų | 123.2 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 133.5 | 178 | 32.4 | -32.4 | 0 | 0 | 0 | 111.6 | T128 | P126-T128 PolarHBondContact O-N 3.46Š|
| 127 | P | 70.9 | Confident | 55.6 | Low | 129 Ų | 129 | 126.9 Ų | 126.9 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -84.8 | 111.9 | 171.2 | 30.1 | -29.9 | 0 | 0 | 0 | 111.6 | | |
| 128 | T | 50.7 | Low | 55.4 | Low | 131 Ų | 131 | 123.9 Ų | 123.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -85.6 | 108.9 | 154.7 | 42 | 0 | 0 | 0 | 0 | 109 | P126 | P126-T128 PolarHBondContact O-N 3.46Š|
| 129 | T | 53.8 | Low | 55.4 | Low | 141 Ų | 141 | 126.4 Ų | 126.4 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -164.9 | 142 | 152.3 | 3.3 | 0 | 0 | 0 | 0 | 112 | | |
| 130 | M | 51.2 | Low | 55.2 | Low | 184 Ų | 184 | 127.5 Ų | 127.5 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | | | trans | -72.2 | 148.4 | -176.6 | -54.4 | -145.9 | 75.9 | 0 | 0 | 113.4 | | |
| 131 | G | 54.1 | Low | 55.3 | Low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | | | trans | -159.4 | 99.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 132 | S | 49.5 | Very low | 54.8 | Low | 118 Ų | 118 | 123.8 Ų | 123.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | | 62.4 | 108.8 | 88.3 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 133 | L | 47.3 | Very low | 54.3 | Low | 156 Ų | 156 | 122.8 Ų | 122.8 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | | | trans | -48.5 | 161.8 | -176.9 | -61.8 | 146.3 | 0 | 0 | 0 | 114.4 | | |
| 134 | P | 56.6 | Low | 53.9 | Low | 122 Ų | 122 | 120.2 Ų | 120.2 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | | | | -128.5 | 134.6 | 107.2 | 34.8 | -28.6 | 0 | 0 | 0 | 113.4 | | |
| 135 | S | 48.2 | Very low | 52.7 | Low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | | | trans | -67.4 | 128.9 | 166.1 | -51.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 136 | S | 51.6 | Low | 51.6 | Low | 97 Ų | 97 | 125.3 Ų | 125.3 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | | | trans | -174.6 | 134.1 | 154.9 | 38.2 | 0 | 0 | 0 | 0 | 111 | | |
| 137 | L | 49.7 | Very low | 50.5 | Low | 179 Ų | 179 | 128.4 Ų | 128.4 | 94% | 0.937 | 83% | 0.827 | S | S | * | * | | | trans | 79.4 | 104.3 | 169.5 | -48.5 | 158.7 | 0 | 0 | 0 | 113.3 | | |
| 138 | G | 42.2 | Very low | 49.3 | Very low | 68 Ų | 68 | 125.4 Ų | 125.4 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | cis | 114.3 | 93.9 | 23.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 139 | L | 47.4 | Very low | 49.2 | Very low | 177 Ų | 177 | 124.7 Ų | 124.7 | 93% | 0.927 | 82% | 0.82 | S | S | * | * | | | trans | -160.5 | 139.8 | 150.9 | -121.2 | 89.4 | 0 | 0 | 0 | 109 | | |
| 140 | P | 49.5 | Very low | 48.7 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | -104.5 | 158.9 | -159 | 39 | -32 | 0 | 0 | 0 | 115 | | |
| 141 | G | 48.6 | Very low | 48.5 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | | | trans | 126.7 | 116 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 142 | G | 47.1 | Very low | 48.2 | Very low | 82 Ų | 82 | 124.6 Ų | 124.6 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | | | cis | 144.1 | 88.2 | 8.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 143 | A | 48 | Very low | 47.8 | Very low | 97 Ų | 97 | 122.9 Ų | 122.9 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | | | trans | -176 | 92 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 144 | S | 47.8 | Very low | 47.4 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | | | trans | 43.4 | 101.4 | 134.8 | -51.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 145 | L | 48.2 | Very low | 46.8 | Very low | 176 Ų | 176 | 118.3 Ų | 118.3 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | | | trans | -80.4 | 122.2 | 144.3 | -70.2 | 169.3 | 0 | 0 | 0 | 108.7 | | |
| 146 | L | 51.3 | Low | 46.7 | Very low | 160 Ų | 160 | 115.5 Ų | 115.5 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | -132.8 | 98.1 | 159.7 | -75.3 | 179.8 | 0 | 0 | 0 | 110.1 | | |
| 147 | L | 47.7 | Very low | 47 | Very low | 183 Ų | 183 | 118.7 Ų | 118.7 | 96% | 0.958 | 82% | 0.821 | S | S | * | * | | | trans | 3 | 129.8 | 134.3 | -143.7 | 73.4 | 0 | 0 | 0 | 117.7 | | |
| 148 | G | 45.1 | Very low | 47.3 | Very low | 65 Ų | 65 | 117 Ų | 117 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | | | trans | 135.4 | 127.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 149 | S | 48.4 | Very low | 48.1 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | cis | -160.1 | 151.2 | 6.7 | -65.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 150 | A | 42.7 | Very low | 48.7 | Very low | 95 Ų | 95 | 120 Ų | 120 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -58.6 | 139.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 151 | L | 48.2 | Very low | 49.4 | Very low | 165 Ų | 165 | 119.8 Ų | 119.8 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -136 | 131.3 | 145.3 | -85.4 | 102.9 | 0 | 0 | 0 | 108.8 | | |
| 152 | P | 46.2 | Very low | 50.4 | Low | 130 Ų | 130 | 117.5 Ų | 117.5 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | | | trans | -94.9 | 145.7 | 175.4 | 36 | -28.8 | 0 | 0 | 0 | 110.8 | | |
| 153 | G | 43 | Very low | 51.7 | Low | 82 Ų | 82 | 119.5 Ų | 119.5 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | | | trans | 146.2 | 126.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 154 | G | 38.3 | Very low | 53 | Low | 71 Ų | 71 | 120.9 Ų | 120.9 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | | | trans | 106.5 | 81.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 155 | A | 43.3 | Very low | 54.4 | Low | 110 Ų | 110 | 121.2 Ų | 121.2 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | | | trans | 28.1 | 126.5 | 133.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 156 | G | 46.7 | Very low | 55.5 | Low | 44 Ų | 44 | 115.3 Ų | 115.3 | 45% | 0.454 | 71% | 0.71 | S | S | . | * | | | trans | 124.4 | 83.6 | 144.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | H158 | G156-H158 PolarHBondContact O-N 2.77Š|
| 157 | D | 57.5 | Low | 56.7 | Low | 165 Ų | 165 | 110 Ų | 110 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 34.8 | 14.1 | 140.7 | -59.1 | -44.1 | 0 | 0 | 0 | 123.1 | | |
| 158 | H | 57.1 | Low | 57.8 | Low | 142 Ų | 142 | 105.9 Ų | 105.9 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | | | trans | -115.4 | 4.9 | -175.1 | -73 | -68.7 | 0 | 0 | 0 | 115.9 | G156 H160 G162 | G156-H158 PolarHBondContact O-N 2.77Å; H158-H160 PolarHBondContact O-N 3.08Å; H158-G162 PolarHBondContact O-N 2.8Å |
| 159 | H | 58.4 | Low | 58.9 | Low | 148 Ų | 148 | 108.2 Ų | 108.2 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.6 | -24.4 | -174 | -69.1 | -82.7 | 0 | 0 | 0 | 115.1 | L163 | H159-L163 WeakPolarHBondContact O-CG 3.49Å; H159-L163 PolarHBondContact O-N 2.84Å; H159-L163 VanDerWaalsContact O-N 3.11Å |
| 160 | H | 59.1 | Low | 59.7 | Low | 160 Ų | 160 | 105.8 Ų | 105.8 | 74% | 0.741 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.9 | -35.9 | 179.9 | -166.5 | -100.3 | 0 | 0 | 0 | 112.8 | H158 F164 | H158-H160 PolarHBondContact O-N 3.08Å; H160-F164 WeakPolarHBondContact O-CB 3.46Å; H160-F164 PolarHBondContact O-N 3.31Å |
| 161 | L | 64.5 | Low | 60.8 | Low | 126 Ų | 126 | 105 Ų | 105 | 66% | 0.66 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.4 | -37.6 | 173.6 | -95 | 129.5 | 0 | 0 | 0 | 111.6 | F164 Q165 | L161-F164 PolarHBondContact O-N 2.67Å; L161-Q165 VanDerWaalsContact O-CB 3.29Å; L161-Q165 WeakPolarHBondContact O-CB 3.12Å; L161-Q165 PolarHBondContact O-N 3.49Å |
| 162 | G | 69.8 | Low | 61.5 | Low | 37 Ų | 37 | 101.8 Ų | 101.8 | 38% | 0.381 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.7 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H158 Q165 A166 | H158-G162 PolarHBondContact O-N 2.8Å; G162-Q165 PolarHBondContact O-N 2.91Å; G162-A166 VanDerWaalsContact O-CB 3.29Å; G162-A166 WeakPolarHBondContact O-CB 3.38Å; G162-A166 PolarHBondContact O-N 3.43Å |
| 163 | L | 73.7 | Confident | 62.4 | Low | 124 Ų | 124 | 99 Ų | 99 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.5 | -39.5 | 175.9 | -76.6 | 165.7 | 0 | 0 | 0 | 112.3 | H159 A166 A167 | H159-L163 WeakPolarHBondContact O-CG 3.49Å; H159-L163 PolarHBondContact O-N 2.84Å; H159-L163 VanDerWaalsContact O-N 3.11Å; L163-A166 PolarHBondContact O-N 3.39Å; L163-A167 VanDerWaalsContact O-CB 3.29Å; L163-A167 WeakPolarHBondContact O-CB 3.24Å; L163-A167 PolarHBondContact O-N 2.83Å |
| 164 | F | 77.1 | Confident | 63.2 | Low | 126 Ų | 126 | 98.2 Ų | 98.2 | 55% | 0.553 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.2 | -41.2 | 174.9 | -178.9 | -101.4 | 0 | 0 | 0 | 112 | H160 L161 A167 M168 | H160-F164 WeakPolarHBondContact O-CB 3.46Å; H160-F164 PolarHBondContact O-N 3.31Å; L161-F164 PolarHBondContact O-N 2.67Å; F164-A167 PolarHBondContact O-N 3.26Å; F164-M168 HydrophobicContact CD1-CG 4.1Å; F164-M168 HydrophobicContact CD2-CG 4.47Å; F164-M168 HydrophobicContact CE1-CG 3.67Å; F164-M168 HydrophobicContact CE1-SD 4.45Å; F164-M168 HydrophobicContact CE2-CG 4.08Å; F164-M168 HydrophobicContact CE2-SD 4.31Å; F164-M168 HydrophobicContact CG-CG 4.49Å; F164-M168 HydrophobicContact CZ-CG 3.66Å; F164-M168 HydrophobicContact CZ-SD 3.91Å; F164-M168 WeakPolarHBondContact O-CB 3.38Å; F164-M168 VanDerWaalsContact O-CG 3.26Å; F164-M168 WeakPolarHBondContact O-CG 3.38Å; F164-M168 PolarHBondContact O-N 3.07Å |
| 165 | Q | 75.4 | Confident | 64.2 | Low | 119 Ų | 119 | 99.8 Ų | 99.8 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.9 | -40.9 | 175.3 | -174.4 | 172.6 | 25.1 | 0 | 0 | 111.5 | L161 G162 M168 Q169 | L161-Q165 VanDerWaalsContact O-CB 3.29Å; L161-Q165 WeakPolarHBondContact O-CB 3.12Å; L161-Q165 PolarHBondContact O-N 3.49Å; G162-Q165 PolarHBondContact O-N 2.91Å; Q165-M168 PolarHBondContact O-N 3Å; Q165-Q169 WeakPolarHBondContact O-CB 3.21Å; Q165-Q169 WeakPolarHBondContact O-CG 3.42Å; Q165-Q169 PolarHBondContact O-N 3.2Å |
| 166 | A | 72 | Confident | 65 | Low | 53 Ų | 53 | 97.4 Ų | 97.4 | 44% | 0.438 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.1 | -39 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G162 L163 Q169 S170 | G162-A166 VanDerWaalsContact O-CB 3.29Å; G162-A166 WeakPolarHBondContact O-CB 3.38Å; G162-A166 PolarHBondContact O-N 3.43Å; L163-A166 PolarHBondContact O-N 3.39Å; A166-Q169 PolarHBondContact O-N 3.16Å; A166-S170 WeakPolarHBondContact O-CB 3.34Å; A166-S170 PolarHBondContact O-N 3.48Å |
| 167 | A | 75.5 | Confident | 66 | Low | 49 Ų | 49 | 99.1 Ų | 99.1 | 41% | 0.405 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.6 | -40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L163 F164 S170 V171 | L163-A167 VanDerWaalsContact O-CB 3.29Å; L163-A167 WeakPolarHBondContact O-CB 3.24Å; L163-A167 PolarHBondContact O-N 2.83Å; F164-A167 PolarHBondContact O-N 3.26Å; A167-S170 WeakPolarHBondContact O-CB 3.42Å; A167-S170 PolarHBondContact O-N 3.11Å; A167-V171 WeakPolarHBondContact O-CG1 3.38Å; A167-V171 PolarHBondContact O-N 3.3Å |
| 168 | M | 72.1 | Confident | 66.6 | Low | 95 Ų | 95 | 93.9 Ų | 93.9 | 47% | 0.468 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 176.4 | -72.1 | -66.9 | -71.4 | 0 | 0 | 112 | F164 Q165 V171 V172 | F164-M168 HydrophobicContact CD1-CG 4.1Å; F164-M168 HydrophobicContact CD2-CG 4.47Å; F164-M168 HydrophobicContact CE1-CG 3.67Å; F164-M168 HydrophobicContact CE1-SD 4.45Å; F164-M168 HydrophobicContact CE2-CG 4.08Å; F164-M168 HydrophobicContact CE2-SD 4.31Å; F164-M168 HydrophobicContact CG-CG 4.49Å; F164-M168 HydrophobicContact CZ-CG 3.66Å; F164-M168 HydrophobicContact CZ-SD 3.91Å; F164-M168 WeakPolarHBondContact O-CB 3.38Å; F164-M168 VanDerWaalsContact O-CG 3.26Å; F164-M168 WeakPolarHBondContact O-CG 3.38Å; F164-M168 PolarHBondContact O-N 3.07Å; Q165-M168 PolarHBondContact O-N 3Å; M168-V171 WeakPolarHBondContact O-CG2 3.18Å; M168-V171 HydrophobicContact SD-CG2 4.35Å; M168-V172 VanDerWaalsContact O-CG2 3.23Å; M168-V172 WeakPolarHBondContact O-CG2 3.48Å; M168-V172 PolarHBondContact O-N 2.65Å; M168-V172 VanDerWaalsContact O-N 3.09Å |
| 169 | Q | 68.9 | Low | 67 | Low | 115 Ų | 115 | 94.8 Ų | 94.8 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -37 | 172.1 | -73.7 | 175.4 | 17.1 | 0 | 0 | 111.3 | Q165 A166 V172 S173 | Q165-Q169 WeakPolarHBondContact O-CB 3.21Å; Q165-Q169 WeakPolarHBondContact O-CG 3.42Å; Q165-Q169 PolarHBondContact O-N 3.2Å; A166-Q169 PolarHBondContact O-N 3.16Å; Q169-V172 PolarHBondContact O-N 3.04Å; Q169-S173 VanDerWaalsContact O-CB 3.29Å; Q169-S173 WeakPolarHBondContact O-CB 3.33Å; Q169-S173 PolarHBondContact O-N 3.33Å; Q169-S173 PolarHBondContact O-OG 3.47Å |
| 170 | S | 64.3 | Low | 67.8 | Low | 66 Ų | 66 | 92.5 Ų | 92.5 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 173.3 | 155.7 | 0 | 0 | 0 | 0 | 111.9 | A166 A167 S173 S174 | A166-S170 WeakPolarHBondContact O-CB 3.34Å; A166-S170 PolarHBondContact O-N 3.48Å; A167-S170 WeakPolarHBondContact O-CB 3.42Å; A167-S170 PolarHBondContact O-N 3.11Å; S170-S173 PolarHBondContact O-N 3.41Å; S170-S174 VanDerWaalsContact O-CB 3.29Å; S170-S174 WeakPolarHBondContact O-CB 3.29Å; S170-S174 PolarHBondContact O-N 2.84Å; S170-S174 PolarHBondContact O-OG 3.45Å |
| 171 | V | 66.3 | Low | 68.5 | Low | 77 Ų | 77 | 91.4 Ų | 91.4 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.1 | -34.6 | 177.6 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | A167 M168 D175 | A167-V171 WeakPolarHBondContact O-CG1 3.38Å; A167-V171 PolarHBondContact O-N 3.3Å; M168-V171 WeakPolarHBondContact O-CG2 3.18Å; M168-V171 HydrophobicContact SD-CG2 4.35Å; V171-D175 PolarHBondContact O-N 2.9Å; V171-D175 VanDerWaalsContact O-N 3.1Å |
| 172 | V | 62.5 | Low | 69.1 | Low | 99 Ų | 99 | 91 Ų | 91 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.2 | -39.6 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | M168 Q169 A176 | M168-V172 VanDerWaalsContact O-CG2 3.23Å; M168-V172 WeakPolarHBondContact O-CG2 3.48Å; M168-V172 PolarHBondContact O-N 2.65Å; M168-V172 VanDerWaalsContact O-N 3.09Å; Q169-V172 PolarHBondContact O-N 3.04Å; V172-A176 WeakPolarHBondContact O-CB 3.49Å; V172-A176 PolarHBondContact O-N 2.97Å |
| 173 | S | 64.6 | Low | 69.4 | Low | 70 Ų | 70 | 95.7 Ų | 95.7 | 49% | 0.49 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.1 | -39.7 | 174.2 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | Q169 S170 D175 A176 T177 | Q169-S173 VanDerWaalsContact O-CB 3.29Å; Q169-S173 WeakPolarHBondContact O-CB 3.33Å; Q169-S173 PolarHBondContact O-N 3.33Å; Q169-S173 PolarHBondContact O-OG 3.47Å; S170-S173 PolarHBondContact O-N 3.41Å; S173-D175 PolarHBondContact O-N 3.15Å; S173-A176 PolarHBondContact O-N 3.11Å; S173-T177 WeakPolarHBondContact O-CG2 3.27Å; S173-T177 PolarHBondContact O-N 3.25Å; S173-T177 PolarHBondContact O-OG1 3.03Å; S173-T177 VanDerWaalsContact O-OG1 3.08Å |
| 174 | S | 60.5 | Low | 69.6 | Low | 67 Ų | 67 | 95.7 Ų | 95.7 | 47% | 0.469 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 177.5 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | S170 T177 A178 | S170-S174 VanDerWaalsContact O-CB 3.29Å; S170-S174 WeakPolarHBondContact O-CB 3.29Å; S170-S174 PolarHBondContact O-N 2.84Å; S170-S174 PolarHBondContact O-OG 3.45Å; S174-T177 PolarHBondContact O-OG1 3.49Å; S174-A178 VanDerWaalsContact O-CB 3.22Å; S174-A178 WeakPolarHBondContact O-CB 3.13Å; S174-A178 PolarHBondContact O-N 2.92Å |
| 175 | D | 58.7 | Low | 69.7 | Low | 103 Ų | 103 | 96.3 Ų | 96.3 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.1 | -40.6 | 173.1 | -88.3 | -40.7 | 0 | 0 | 0 | 110.9 | V171 S173 A178 Y179 | V171-D175 PolarHBondContact O-N 2.9Å; V171-D175 VanDerWaalsContact O-N 3.1Å; S173-D175 PolarHBondContact O-N 3.15Å; D175-A178 PolarHBondContact O-N 3.15Å; D175-Y179 WeakPolarHBondContact O-CD2 3.32Å; D175-Y179 PolarHBondContact O-N 2.84Å; D175-Y179 VanDerWaalsContact O-N 3.16Å |
| 176 | A | 61.1 | Low | 69.8 | Low | 60 Ų | 60 | 97 Ų | 97 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | V172 S173 Y179 D180 | V172-A176 WeakPolarHBondContact O-CB 3.49Å; V172-A176 PolarHBondContact O-N 2.97Å; S173-A176 PolarHBondContact O-N 3.11Å; A176-Y179 PolarHBondContact O-N 2.86Å; A176-D180 PolarHBondContact O-N 3.31Å; A176-D180 VanDerWaalsContact O-N 3.15Å |
| 177 | T | 67.3 | Low | 70.1 | Confident | 81 Ų | 81 | 99.7 Ų | 99.7 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72 | -33.4 | 177.5 | 56.5 | 0 | 0 | 0 | 0 | 112 | S173 S174 Y179 D180 E181 | S173-T177 WeakPolarHBondContact O-CG2 3.27Å; S173-T177 PolarHBondContact O-N 3.25Å; S173-T177 PolarHBondContact O-OG1 3.03Å; S173-T177 VanDerWaalsContact O-OG1 3.08Å; S174-T177 PolarHBondContact O-OG1 3.49Å; T177-Y179 VanDerWaalsContact C-N 3.32Å; T177-Y179 PolarHBondContact O-N 2.77Å; T177-D180 PolarHBondContact O-N 3.48Å; T177-E181 PolarHBondContact O-N 2.91Å |
| 178 | A | 70.2 | Confident | 70.2 | Confident | 54 Ų | 54 | 101.3 Ų | 101.3 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | S174 D175 M182 | S174-A178 VanDerWaalsContact O-CB 3.22Å; S174-A178 WeakPolarHBondContact O-CB 3.13Å; S174-A178 PolarHBondContact O-N 2.92Å; D175-A178 PolarHBondContact O-N 3.15Å; A178-M182 WeakPolarHBondContact O-CB 3.32Å; A178-M182 PolarHBondContact O-N 3.37Å |
| 179 | Y | 65.5 | Low | 70.5 | Confident | 162 Ų | 162 | 103.3 Ų | 103.3 | 64% | 0.635 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -71.7 | -39.3 | 173.2 | -80.6 | -68.5 | 0 | 0 | 0 | 112.6 | D175 A176 T177 M182 Q183 | D175-Y179 WeakPolarHBondContact O-CD2 3.32Å; D175-Y179 PolarHBondContact O-N 2.84Å; D175-Y179 VanDerWaalsContact O-N 3.16Å; A176-Y179 PolarHBondContact O-N 2.86Å; T177-Y179 VanDerWaalsContact C-N 3.32Å; T177-Y179 PolarHBondContact O-N 2.77Å; Y179-M182 PolarHBondContact O-N 2.96Å; Y179-Q183 PolarHBondContact O-N 2.82Å |
| 180 | D | 74.4 | Confident | 71 | Confident | 100 Ų | 100 | 101.4 Ų | 101.4 | 54% | 0.535 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 178 | -162 | -102.7 | 0 | 0 | 0 | 111.7 | A176 T177 M182 Q183 Q184 | A176-D180 PolarHBondContact O-N 3.31Å; A176-D180 VanDerWaalsContact O-N 3.15Å; T177-D180 PolarHBondContact O-N 3.48Å; D180-M182 PolarHBondContact O-N 2.76Å; D180-Q183 PolarHBondContact O-N 2.87Å; D180-Q184 WeakPolarHBondContact O-CB 3.25Å; D180-Q184 PolarHBondContact O-N 2.98Å |
| 181 | E | 74.5 | Confident | 71.5 | Confident | 136 Ų | 136 | 100.5 Ų | 100.5 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.5 | -43.3 | 174.4 | -94.1 | -166 | 90.2 | 0 | 0 | 112.1 | T177 Q183 Q184 Q185 | T177-E181 PolarHBondContact O-N 2.91Å; E181-Q183 VanDerWaalsContact C-N 3.32Å; E181-Q183 PolarHBondContact O-N 2.92Å; E181-Q184 PolarHBondContact O-N 3.48Å; E181-Q185 WeakPolarHBondContact O-CB 3.25Å; E181-Q185 PolarHBondContact O-N 3.45Å |
| 182 | M | 75.8 | Confident | 72.1 | Confident | 118 Ų | 118 | 104.5 Ų | 104.5 | 58% | 0.581 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | 178.8 | -169.7 | -168.4 | 71.3 | 0 | 0 | 111.5 | A178 Y179 D180 Q186 | A178-M182 WeakPolarHBondContact O-CB 3.32Å; A178-M182 PolarHBondContact O-N 3.37Å; Y179-M182 PolarHBondContact O-N 2.96Å; D180-M182 PolarHBondContact O-N 2.76Å; M182-Q186 PolarHBondContact O-N 2.71Å |
| 183 | Q | 77.2 | Confident | 72.7 | Confident | 135 Ų | 135 | 106.8 Ų | 106.8 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.9 | -42.1 | 174.8 | -107.2 | -156.7 | -24 | 0 | 0 | 111.8 | Y179 D180 E181 Q185 Q186 Q187 | Y179-Q183 PolarHBondContact O-N 2.82Å; D180-Q183 PolarHBondContact O-N 2.87Å; E181-Q183 VanDerWaalsContact C-N 3.32Å; E181-Q183 PolarHBondContact O-N 2.92Å; Q183-Q185 VanDerWaalsContact C-N 3.29Å; Q183-Q185 PolarHBondContact O-N 2.75Å; Q183-Q186 PolarHBondContact O-N 3.33Å; Q183-Q187 WeakPolarHBondContact O-CB 3.49Å; Q183-Q187 PolarHBondContact O-N 3.02Å |
| 184 | Q | 77.5 | Confident | 73 | Confident | 124 Ų | 124 | 108.7 Ų | 108.7 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.8 | -35.9 | 177.8 | -165.6 | 170.6 | 76.9 | 0 | 0 | 111.3 | D180 E181 Q187 T188 | D180-Q184 WeakPolarHBondContact O-CB 3.25Å; D180-Q184 PolarHBondContact O-N 2.98Å; E181-Q184 PolarHBondContact O-N 3.48Å; Q184-Q187 PolarHBondContact O-N 2.93Å; Q184-T188 WeakPolarHBondContact O-CB 3.42Å; Q184-T188 PolarHBondContact O-N 2.75Å; Q184-T188 PolarHBondContact O-OG1 2.93Å |
| 185 | Q | 78.6 | Confident | 73 | Confident | 140 Ų | 140 | 108.8 Ų | 108.8 | 65% | 0.654 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.2 | -38.4 | 175.5 | -158.2 | 177.4 | 1.2 | 0 | 0 | 112 | E181 Q183 T188 Q189 | E181-Q185 WeakPolarHBondContact O-CB 3.25Å; E181-Q185 PolarHBondContact O-N 3.45Å; Q183-Q185 VanDerWaalsContact C-N 3.29Å; Q183-Q185 PolarHBondContact O-N 2.75Å; Q185-T188 PolarHBondContact O-N 3.44Å; Q185-Q189 WeakPolarHBondContact O-CB 3.37Å; Q185-Q189 PolarHBondContact O-N 2.7Å |
| 186 | Q | 79.4 | Confident | 73.2 | Confident | 134 Ų | 134 | 109.2 Ų | 109.2 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.6 | -41.3 | 172.4 | -176.8 | 173.5 | 66.2 | 0 | 0 | 111.7 | M182 Q183 Q189 L190 | M182-Q186 PolarHBondContact O-N 2.71Å; Q183-Q186 PolarHBondContact O-N 3.33Å; Q186-Q189 WeakPolarHBondContact O-CB 3.3Å; Q186-Q189 PolarHBondContact O-N 2.91Å; Q186-L190 PolarHBondContact O-N 2.95Å |
| 187 | Q | 77 | Confident | 72.4 | Confident | 109 Ų | 109 | 109.1 Ų | 109.1 | 51% | 0.509 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.5 | -42.5 | 176 | -169.1 | 66.8 | 45.7 | 0 | 0 | 110.8 | Q183 Q184 Q189 L190 D191 | Q183-Q187 WeakPolarHBondContact O-CB 3.49Å; Q183-Q187 PolarHBondContact O-N 3.02Å; Q184-Q187 PolarHBondContact O-N 2.93Å; Q187-Q189 VanDerWaalsContact C-N 3.34Å; Q187-Q189 PolarHBondContact O-N 3.34Å; Q187-L190 CarbonylContact O-C 3.54Å; Q187-L190 WeakPolarHBondContact O-CA 3.29Å; Q187-L190 WeakPolarHBondContact O-CB 3.29Å; Q187-L190 PolarHBondContact O-N 3.41Å; Q187-D191 PolarHBondContact NE2-OD2 3.45Å; Q187-D191 PolarHBondContact O-N 3.27Å |
| 188 | T | 76.8 | Confident | 71.8 | Confident | 83 Ų | 83 | 116.5 Ų | 116.5 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.5 | -38.7 | 175.6 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | Q184 Q185 L190 D191 H192 | Q184-T188 WeakPolarHBondContact O-CB 3.42Å; Q184-T188 PolarHBondContact O-N 2.75Å; Q184-T188 PolarHBondContact O-OG1 2.93Å; Q185-T188 PolarHBondContact O-N 3.44Å; T188-L190 VanDerWaalsContact C-N 3.31Å; T188-D191 PolarHBondContact O-N 3.01Å; T188-H192 WeakPolarHBondContact O-CB 3.49Å; T188-H192 PolarHBondContact O-N 3.17Å |
| 189 | Q | 78.6 | Confident | 70.5 | Confident | 136 Ų | 136 | 117.3 Ų | 117.3 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.9 | -41.2 | 170.1 | -96.2 | -89.6 | -65.1 | 0 | 0 | 111.4 | Q185 Q186 Q187 H192 L193 | Q185-Q189 WeakPolarHBondContact O-CB 3.37Å; Q185-Q189 PolarHBondContact O-N 2.7Å; Q186-Q189 WeakPolarHBondContact O-CB 3.3Å; Q186-Q189 PolarHBondContact O-N 2.91Å; Q187-Q189 VanDerWaalsContact C-N 3.34Å; Q187-Q189 PolarHBondContact O-N 3.34Å; Q189-H192 PolarHBondContact O-N 2.97Å; Q189-L193 VanDerWaalsContact O-CB 3.29Å; Q189-L193 WeakPolarHBondContact O-CB 3.26Å; Q189-L193 PolarHBondContact O-N 3.02Å |
| 190 | L | 80.9 | Confident | 69.3 | Low | 76 Ų | 76 | 113.8 Ų | 113.8 | 40% | 0.398 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.2 | -42 | 176.8 | -122.4 | 168.6 | 0 | 0 | 0 | 112.2 | Q186 Q187 T188 H192 L193 L194 | Q186-L190 PolarHBondContact O-N 2.95Å; Q187-L190 CarbonylContact O-C 3.54Å; Q187-L190 WeakPolarHBondContact O-CA 3.29Å; Q187-L190 WeakPolarHBondContact O-CB 3.29Å; Q187-L190 PolarHBondContact O-N 3.41Å; T188-L190 VanDerWaalsContact C-N 3.31Å; L190-H192 VanDerWaalsContact C-N 3.35Å; L190-L193 CarbonylContact O-C 3.58Å; L190-L193 PolarHBondContact O-N 3.01Å; L190-L193 VanDerWaalsContact O-N 3.15Å; L190-L194 HydrophobicContact CD2-CD1 3.46Å; L190-L194 VanDerWaalsContact CD2-CD1 3.46Å; L190-L194 HydrophobicContact CD2-CG 3.78Å; L190-L194 VanDerWaalsContact O-CB 3.29Å; L190-L194 WeakPolarHBondContact O-CB 3.28Å; L190-L194 VanDerWaalsContact O-CG 3.29Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 3.08Å |
| 191 | D | 74 | Confident | 67.6 | Low | 47 Ų | 47 | 112.3 Ų | 112.3 | 25% | 0.251 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.3 | -35.9 | 175 | -91.8 | -74 | 0 | 0 | 0 | 112 | Q187 T188 L193 G195 L196 | Q187-D191 PolarHBondContact NE2-OD2 3.45Å; Q187-D191 PolarHBondContact O-N 3.27Å; T188-D191 PolarHBondContact O-N 3.01Å; D191-L193 VanDerWaalsContact C-N 3.31Å; D191-G195 PolarHBondContact O-N 2.81Å; D191-L196 PolarHBondContact O-N 2.95Å; D191-L196 VanDerWaalsContact OD1-CB 3.25Å; D191-L196 WeakPolarHBondContact OD1-CB 3.45Å |
| 192 | H | 79.2 | Confident | 66.1 | Low | 160 Ų | 160 | 110.9 Ų | 110.9 | 74% | 0.741 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.7 | -27.5 | 172.6 | -159 | -71.4 | 0 | 0 | 0 | 111.9 | T188 Q189 L190 | T188-H192 WeakPolarHBondContact O-CB 3.49Å; T188-H192 PolarHBondContact O-N 3.17Å; Q189-H192 PolarHBondContact O-N 2.97Å; L190-H192 VanDerWaalsContact C-N 3.35Å |
| 193 | L | 74.5 | Confident | 64 | Low | 147 Ų | 147 | 109.2 Ų | 109.2 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -81.7 | -32.7 | 174.7 | -152.2 | 74.6 | 0 | 0 | 0 | 112.4 | Q189 L190 D191 | Q189-L193 VanDerWaalsContact O-CB 3.29Å; Q189-L193 WeakPolarHBondContact O-CB 3.26Å; Q189-L193 PolarHBondContact O-N 3.02Å; L190-L193 CarbonylContact O-C 3.58Å; L190-L193 PolarHBondContact O-N 3.01Å; L190-L193 VanDerWaalsContact O-N 3.15Å; D191-L193 VanDerWaalsContact C-N 3.31Å |
| 194 | L | 72.4 | Confident | 62.5 | Low | 111 Ų | 111 | 107 Ų | 107 | 58% | 0.581 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -91.2 | -2.7 | 178.8 | -67.3 | 177.7 | 0 | 0 | 0 | 113.3 | L190 L196 | L190-L194 HydrophobicContact CD2-CD1 3.46Å; L190-L194 VanDerWaalsContact CD2-CD1 3.46Å; L190-L194 HydrophobicContact CD2-CG 3.78Å; L190-L194 VanDerWaalsContact O-CB 3.29Å; L190-L194 WeakPolarHBondContact O-CB 3.28Å; L190-L194 VanDerWaalsContact O-CG 3.29Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 3.08Å; L194-L196 HydrophobicContact CB-CD1 4.22Å; L194-L196 HydrophobicContact CB-CG 4.26Å; L194-L196 PolarHBondContact O-N 3.07Å |
| 195 | G | 59.2 | Low | 60.7 | Low | 68 Ų | 68 | 109.7 Ų | 109.7 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.8 | 22.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D191 | D191-G195 PolarHBondContact O-N 2.81Š|
| 196 | L | 62.6 | Low | 59.3 | Low | 112 Ų | 112 | 109.5 Ų | 109.5 | 59% | 0.586 | 68% | 0.676 | S | S | * | * | | | trans | -98.5 | 1.9 | -175.9 | -66.6 | 176.7 | 0 | 0 | 0 | 113.4 | D191 L194 Y198 | D191-L196 PolarHBondContact O-N 2.95Å; D191-L196 VanDerWaalsContact OD1-CB 3.25Å; D191-L196 WeakPolarHBondContact OD1-CB 3.45Å; L194-L196 HydrophobicContact CB-CD1 4.22Å; L194-L196 HydrophobicContact CB-CG 4.26Å; L194-L196 PolarHBondContact O-N 3.07Å; L196-Y198 PolarHBondContact O-N 3.02Å |
| 197 | G | 44.9 | Very low | 57.3 | Low | 58 Ų | 58 | 110.7 Ų | 110.7 | 60% | 0.598 | 68% | 0.681 | S | S | * | * | | | trans | -65.7 | 97.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G199 | G197-G199 PolarHBondContact O-N 2.91Š|
| 198 | Y | 53.7 | Low | 56.1 | Low | 237 Ų | 237 | 112.8 Ų | 112.8 | 93% | 0.929 | 70% | 0.695 | S | S | * | * | | | trans | -66.1 | 75.6 | 165.1 | -94.2 | -98.6 | 0 | 0 | 0 | 110.2 | L196 G200 | L196-Y198 PolarHBondContact O-N 3.02Å; Y198-G200 PolarHBondContact O-N 2.84Å |
| 199 | G | 43.3 | Very low | 54.7 | Low | 70 Ų | 70 | 117.5 Ų | 117.5 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | | | trans | -76.7 | 107.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | G197 G201 | G197-G199 PolarHBondContact O-N 2.91Å; G199-G201 PolarHBondContact O-N 3.11Å |
| 200 | G | 40.1 | Very low | 52.9 | Low | 89 Ų | 89 | 117 Ų | 117 | 92% | 0.918 | 72% | 0.717 | S | S | * | * | | | trans | -59.1 | 115.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110 | Y198 | Y198-G200 PolarHBondContact O-N 2.84Š|
| 201 | G | 38.9 | Very low | 51.6 | Low | 68 Ų | 68 | 123.1 Ų | 123.1 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | | | trans | 179.6 | 96.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | G199 | G199-G201 PolarHBondContact O-N 3.11Š|
| 202 | A | 42.6 | Very low | 50.1 | Low | 107 Ų | 107 | 128.6 Ų | 128.6 | 88% | 0.884 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 54.4 | 104.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 203 | G | 33.7 | Very low | 48.3 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | trans | 74.7 | 72.2 | 132.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 204 | A | 43.8 | Very low | 46.8 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -143.5 | 99.8 | 148.1 | 0 | 0 | 0 | 0 | 0 | 109 | I206 | A204-I206 PolarHBondContact O-N 3.3Š|
| 205 | Q | 41.2 | Very low | 45.5 | Very low | 181 Ų | 181 | 131 Ų | 131 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -56.9 | 100.4 | 167.6 | -91.7 | -97.9 | -7.4 | 0 | 0 | 109.2 | | |
| 206 | I | 48 | Very low | 44.6 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 70% | 0.697 | 79% | 0.793 | S | S | * | * | | | trans | -106.4 | 104.9 | 160.7 | -60.1 | 176.7 | 0 | 0 | 0 | 106.4 | A204 L208 | A204-I206 PolarHBondContact O-N 3.3Å; I206-L208 HydrophobicContact CG2-CD1 4.15Å; I206-L208 PolarHBondContact O-N 2.93Å |
| 207 | Q | 37.8 | Very low | 43.4 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | -55.8 | 102.2 | 172.8 | -93.1 | -102.6 | 31.3 | 0 | 0 | 110.8 | | |
| 208 | L | 51.3 | Low | 43.4 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | | | trans | -112.3 | 122.4 | 160.9 | -78.9 | 130.6 | 0 | 0 | 0 | 107.9 | I206 | I206-L208 HydrophobicContact CG2-CD1 4.15Å; I206-L208 PolarHBondContact O-N 2.93Å |
| 209 | K | 48.5 | Very low | 42.6 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | -55.3 | 135.5 | -169.5 | -75.5 | 117.5 | 170.9 | 174.8 | 0 | 112.6 | | |
| 210 | P | 39.5 | Very low | 42.1 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | trans | -88 | 112.3 | 177 | 33.4 | -28.2 | 0 | 0 | 0 | 110.1 | | |
| 211 | W | 54.6 | Low | 42.3 | Very low | 204 Ų | 204 | 126.9 Ų | 126.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | -139.7 | 10.2 | 168.3 | 70 | -87.6 | 0 | 0 | 0 | 114.7 | | |
| 212 | M | 42.4 | Very low | 42.6 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | | | trans | -130.6 | 50.9 | 177.5 | -92.5 | -173.4 | 162.1 | 0 | 0 | 112.5 | | |
| 213 | Q | 41 | Very low | 42.6 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -133.3 | 81 | 165.4 | -169.6 | 152.1 | 49.8 | 0 | 0 | 108 | | |
| 214 | E | 43.5 | Very low | 43.2 | Very low | 190 Ų | 190 | 130.6 Ų | 130.6 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -164.3 | 150.3 | 159.8 | -153.6 | 85.1 | 134.1 | 0 | 0 | 106.9 | | |
| 215 | A | 44.1 | Very low | 43.6 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | 86.7 | 50 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | G217 | A215-G217 PolarHBondContact O-N 3.06Š|
| 216 | A | 41.7 | Very low | 43.7 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 94% | 0.942 | 80% | 0.797 | S | S | * | * | | | trans | -77 | 99.5 | 135.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 217 | G | 37.6 | Very low | 43.5 | Very low | 62 Ų | 62 | 130.7 Ų | 130.7 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | | | trans | 165.5 | 115.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A215 | A215-G217 PolarHBondContact O-N 3.06Š|
| 218 | A | 44.1 | Very low | 43.8 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | 69.3 | 100.4 | 155 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 219 | G | 36.8 | Very low | 43.3 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | | | | 67.2 | 112 | 120.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 220 | G | 33.5 | Very low | 43.3 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | 129.2 | 95.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 221 | A | 42.9 | Very low | 43.7 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -72.2 | 174.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 222 | P | 45.7 | Very low | 43.3 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | cis | -146.8 | 170.5 | 12.6 | 39.5 | -18.6 | 0 | 0 | 0 | 117.8 | | |
| 223 | G | 43.1 | Very low | 43.4 | Very low | 66 Ų | 66 | 130.8 Ų | 130.8 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | | | trans | 83.6 | 149.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 224 | I | 47.1 | Very low | 43.5 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | | | cis | -174.2 | 163.4 | -2.2 | 34.6 | 177.3 | 0 | 0 | 0 | 105.1 | | |
| 225 | M | 51.5 | Low | 43.5 | Very low | 154 Ų | 154 | 124 Ų | 124 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | | | trans | 94.1 | 100.7 | 161.7 | -45.8 | 175.2 | -153.4 | 0 | 0 | 118.5 | | |
| 226 | D | 42.9 | Very low | 43.3 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | | | | 98.6 | 130.5 | 118.9 | -91.7 | -77.6 | 0 | 0 | 0 | 123.4 | | |
| 227 | S | 44.7 | Very low | 43.4 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | 83.4 | 75.9 | 148.7 | -68.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 228 | F | 43 | Very low | 43.8 | Very low | 210 Ų | 210 | 130.7 Ų | 130.7 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | trans | -81.4 | 101 | 145.2 | -75.1 | -90.2 | 0 | 0 | 0 | 109.6 | | |
| 229 | Y | 42.2 | Very low | 43.5 | Very low | 226 Ų | 226 | 131.7 Ų | 131.7 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | | | trans | -170.7 | 103.3 | 149.7 | -127.6 | -91 | 0 | 0 | 0 | 110.6 | | |
| 230 | A | 46.9 | Very low | 43.5 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | | | trans | -174.7 | 108.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 231 | P | 47.8 | Very low | 43.9 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 133.8 | 163.1 | 31.3 | -27.5 | 0 | 0 | 0 | 110 | | |
| 232 | L | 47.7 | Very low | 44.2 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 133.1 | 179.3 | -67.7 | 168.3 | 0 | 0 | 0 | 111.9 | | |
| 233 | L | 44.2 | Very low | 43.9 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 137.6 | 163.5 | -63.7 | 113 | 0 | 0 | 0 | 110.6 | | |
| 234 | S | 43.7 | Very low | 43.8 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -171.1 | 102.9 | 139 | -81.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 235 | S | 41.9 | Very low | 43.4 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | 51.6 | 112.6 | 131.1 | -50.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 236 | S | 41.4 | Very low | 43.1 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | | | | -172.3 | 113.2 | 117.8 | -156.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 237 | L | 43.9 | Very low | 42.8 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | | | trans | 25.8 | 119.5 | 145.2 | -82.2 | 61.6 | 0 | 0 | 0 | 121.2 | | |
| 238 | V | 44.7 | Very low | 42.5 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | | | | -147.5 | 128.8 | 125.3 | -176.9 | 0 | 0 | 0 | 0 | 109 | | |
| 239 | P | 38.6 | Very low | 42.3 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | | | trans | -96.8 | 146.8 | -179.6 | 34.9 | -29.9 | 0 | 0 | 0 | 113.6 | | |
| 240 | G | 37 | Very low | 41.9 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | trans | 148.8 | 122.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 241 | L | 42.1 | Very low | 41.7 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | | | trans | 78.1 | 91.8 | 166.7 | -74.5 | 140.8 | 0 | 0 | 0 | 116.5 | | |
| 242 | E | 49.3 | Very low | 41.2 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | | | | 73.2 | 88.6 | 83.3 | -158.9 | 164.2 | 115 | 0 | 0 | 110.2 | | |
| 243 | E | 38.7 | Very low | 40.9 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | | | | 89.5 | 103.5 | 96.5 | -166.5 | 167.2 | 138.3 | 0 | 0 | 110.9 | | |
| 244 | L | 41.6 | Very low | 40.8 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -170.7 | 94.1 | 141.2 | -100.6 | 162.2 | 0 | 0 | 0 | 108.8 | | |
| 245 | H | 37.9 | Very low | 40.7 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | | | trans | -67.6 | 122.7 | 160.9 | -86.3 | 100.2 | 0 | 0 | 0 | 109 | | |
| 246 | V | 45.2 | Very low | 40.9 | Very low | 138 Ų | 138 | 136 Ų | 136 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | | | trans | -132.1 | 131.1 | 152.7 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 247 | K | 35.9 | Very low | 40.8 | Very low | 176 Ų | 176 | 139 Ų | 139 | 77% | 0.765 | 82% | 0.823 | S | S | * | * | | | trans | -103 | 140.6 | -165.4 | 160.2 | 171.1 | 177.6 | 166.8 | 0 | 110 | | |
| 248 | A | 38.5 | Very low | 40.3 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | | | trans | -179.4 | 100.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 249 | E | 39.3 | Very low | 39.9 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | | 45.7 | 105.7 | 93.3 | -74.7 | -150.6 | 103.9 | 0 | 0 | 113.8 | | |
| 250 | A | 34.3 | Very low | 39.9 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | | | | 84.1 | 106 | 72.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 251 | A | 41.4 | Very low | 40 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | | | trans | 177.4 | 113.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 252 | G | 37.9 | Very low | 40.1 | Very low | 75 Ų | 75 | 141.3 Ų | 141.3 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | | 111.3 | 101.8 | 79 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 253 | A | 42.6 | Very low | 39.7 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 93% | 0.934 | 82% | 0.817 | S | S | * | * | | | | 96.8 | 128.4 | 98.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 254 | G | 42 | Very low | 40 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | 147.2 | 70.8 | 165 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 255 | D | 41.6 | Very low | 40 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | | | trans | -64.8 | 132.5 | 166.2 | -136.7 | -71.7 | 0 | 0 | 0 | 110.4 | | |
| 256 | H | 44.9 | Very low | 40.1 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | | | trans | -146.7 | 117.2 | 155.2 | -108.5 | -50.6 | 0 | 0 | 0 | 112.7 | | |
| 257 | Q | 40.5 | Very low | 40 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -58.1 | 146.3 | -175.9 | -168.9 | -153.8 | 68.7 | 0 | 0 | 116.1 | | |
| 258 | Q | 32.8 | Very low | 39.8 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | trans | -59.8 | 151.8 | 167.7 | -59.7 | 169.9 | -24.2 | 0 | 0 | 114.5 | | |
| 259 | K | 35.2 | Very low | 39.7 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | | -166.1 | 137.6 | 126.7 | -157.6 | 167.2 | -179.2 | -178 | 0 | 113.8 | | |
| 260 | P | 38.8 | Very low | 39.6 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | -108.7 | 163.1 | -179 | 40 | -31.6 | 0 | 0 | 0 | 114.5 | | |
| 261 | S | 40.3 | Very low | 39.8 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -178.6 | 141.8 | 162.6 | -170 | 0 | 0 | 0 | 0 | 106.6 | | |
| 262 | S | 43.8 | Very low | 39.7 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | cis | -172.3 | 150.2 | 18.3 | 11.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 263 | R | 40.2 | Very low | 39.9 | Very low | 213 Ų | 213 | 151 Ų | 151 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | 18.7 | 130.2 | 146.6 | -89.3 | 164 | 153.4 | 117.1 | -4.2 | 118 | | |
| 264 | D | 46.4 | Very low | 40.1 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | | -156.5 | 154.7 | 71.1 | -95.8 | -56.3 | 0 | 0 | 0 | 115.2 | | |
| 265 | Q | 40.2 | Very low | 40.6 | Very low | 165 Ų | 165 | 155.4 Ų | 155.4 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | | | trans | -71.4 | 134.7 | 178.5 | -65.8 | 161.8 | 58.8 | 0 | 0 | 111.5 | | |
| 266 | Q | 41.5 | Very low | 41.1 | Very low | 186 Ų | 186 | 154 Ų | 154 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | -151 | 109.6 | 141.8 | -150.7 | 140.3 | 13.9 | 0 | 0 | 111.6 | | |
| 267 | S | 41.2 | Very low | 40.9 | Very low | 100 Ų | 100 | 151 Ų | 151 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | trans | 21 | 125.6 | 149.1 | 56.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 268 | A | 32.7 | Very low | 40.9 | Very low | 86 Ų | 86 | 148.4 Ų | 148.4 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -38.4 | 131.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 269 | S | 36.5 | Very low | 41.2 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | trans | -146.4 | 111.4 | 148.3 | -170.7 | 0 | 0 | 0 | 0 | 107.5 | D271 | S269-D271 PolarHBondContact O-N 2.86Š|
| 270 | W | 38 | Very low | 41.7 | Very low | 216 Ų | 216 | 140.4 Ų | 140.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -90.5 | 84.5 | 175.1 | 4.3 | -77.5 | 0 | 0 | 0 | 106.9 | | |
| 271 | D | 38.2 | Very low | 41.9 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | trans | -92.2 | 115.4 | 174.7 | -141.5 | -66.2 | 0 | 0 | 0 | 109.7 | S269 E273 | S269-D271 PolarHBondContact O-N 2.86Å; D271-E273 PolarHBondContact O-N 2.9Å |
| 272 | W | 39.7 | Very low | 42.2 | Very low | 235 Ų | 235 | 141.3 Ų | 141.3 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | trans | -87.1 | 75.8 | 179.9 | -72.7 | 100.8 | 0 | 0 | 0 | 109.8 | | |
| 273 | E | 41.5 | Very low | 41.9 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | trans | -94.3 | 106 | 171.3 | -89.9 | -177.1 | 80.5 | 0 | 0 | 112.1 | D271 | D271-E273 PolarHBondContact O-N 2.9Š|
| 274 | L | 45.6 | Very low | 41.9 | Very low | 161 Ų | 161 | 138 Ų | 138 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -69.3 | 127.4 | 165.2 | -73.1 | 150.4 | 0 | 0 | 0 | 110.2 | T276 | L274-T276 PolarHBondContact O-N 3.28Š|
| 275 | P | 53.3 | Low | 41.6 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -76.2 | 115.5 | 167.1 | -13.9 | 29.2 | 0 | 0 | 0 | 110.8 | | |
| 276 | T | 52.6 | Low | 41.6 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | | | trans | -61.6 | 139.4 | 171.4 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | L274 | L274-T276 PolarHBondContact O-N 3.28Š|
| 277 | P | 39.6 | Very low | 41.4 | Very low | 133 Ų | 133 | 134 Ų | 134 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -88.1 | 119 | 172.6 | 33.2 | -27.7 | 0 | 0 | 0 | 109.7 | | |
| 278 | S | 41.7 | Very low | 41.3 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -127.1 | 130.1 | 170.1 | -152.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 279 | S | 38.2 | Very low | 41.5 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -69.9 | 148.5 | -170.1 | -47.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 280 | S | 46.6 | Very low | 41.9 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | | 161.2 | 149 | 124.4 | 50 | 0 | 0 | 0 | 0 | 112.1 | | |
| 281 | N | 42.2 | Very low | 41.8 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | | | trans | 85.7 | 89.8 | 170.1 | -58.5 | -56 | 0 | 0 | 0 | 116 | | |
| 282 | V | 46 | Very low | 42 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | | | | 78.6 | 115.6 | 83.6 | -64.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 283 | D | 38.2 | Very low | 42.2 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | 71.9 | 108.8 | 142.9 | -62.5 | -52.3 | 0 | 0 | 0 | 121.8 | | |
| 284 | A | 40.3 | Very low | 42.5 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | | 76.1 | 126.4 | 123.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 285 | N | 40.9 | Very low | 42 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | trans | 88.6 | 77.3 | 153.9 | -147.9 | 28.2 | 0 | 0 | 0 | 116.5 | | |
| 286 | V | 39.5 | Very low | 41.2 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | trans | -147.5 | 93.9 | 141.9 | 121.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 287 | V | 37.2 | Very low | 40.6 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | | | trans | -81.7 | 95.9 | 158.3 | 170.1 | 0 | 0 | 0 | 0 | 105.1 | | |
| 288 | T | 38.6 | Very low | 40.3 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 69% | 0.687 | 81% | 0.811 | S | S | * | * | | | trans | -165.1 | 136.2 | 167 | 27.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 289 | A | 37.1 | Very low | 40 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 77.5 | 70.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 290 | S | 44.4 | Very low | 40.3 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 92% | 0.923 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -149.3 | 5 | 143.4 | -58.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 291 | D | 37.2 | Very low | 40 | Very low | 169 Ų | 169 | 123.2 Ų | 123.2 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | | | trans | -113.2 | 70.5 | -177.6 | -133 | -59.9 | 0 | 0 | 0 | 109.2 | | |
| 292 | A | 41.1 | Very low | 40.4 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | | | trans | -160.9 | 64.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 293 | L | 44.4 | Very low | 40.3 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -169.1 | 127.3 | 157.6 | -102.6 | 143.1 | 0 | 0 | 0 | 107.4 | | |
| 294 | M | 47.7 | Very low | 40.8 | Very low | 183 Ų | 183 | 126 Ų | 126 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | S | Bend | trans | 110.7 | 26.9 | 177.4 | -56.2 | -59.9 | -178.5 | 0 | 0 | 118.5 | | |
| 295 | A | 34.9 | Very low | 40.7 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | | | trans | -134.1 | 78.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 296 | A | 37.9 | Very low | 40.8 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | | | trans | -157.8 | 141 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 297 | A | 38.2 | Very low | 40.8 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | | | trans | 86.2 | 51.3 | 177 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 298 | A | 33.3 | Very low | 41.2 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | | | trans | -112.5 | 87.7 | 149.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 299 | A | 37.1 | Very low | 41.3 | Very low | 100 Ų | 100 | 122.5 Ų | 122.5 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | | | trans | -169.3 | 90.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 300 | A | 44.2 | Very low | 41.5 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | | | trans | 157.4 | 124.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 301 | S | 40.1 | Very low | 41.5 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | cis | -163.7 | 112.8 | 23.4 | 167.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 302 | M | 49.4 | Very low | 42.1 | Very low | 182 Ų | 182 | 119.4 Ų | 119.4 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | trans | 31.9 | 119.4 | 132.4 | -42.4 | -176 | 176.7 | 0 | 0 | 119.5 | | |
| 303 | N | 44.4 | Very low | 42.1 | Very low | 151 Ų | 151 | 120.3 Ų | 120.3 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | trans | -78.9 | 161 | 165.3 | -140.1 | -33.1 | 0 | 0 | 0 | 110.2 | | |
| 304 | P | 49.1 | Very low | 42.1 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | | -148.4 | 137.9 | 105 | 33.4 | -14.7 | 0 | 0 | 0 | 117.7 | | |
| 305 | A | 38.4 | Very low | 42 | Very low | 79 Ų | 79 | 114.7 Ų | 114.7 | 65% | 0.653 | 79% | 0.791 | S | S | * | * | | | trans | -4.5 | 143 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 306 | V | 42.2 | Very low | 42.6 | Very low | 136 Ų | 136 | 115.3 Ų | 115.3 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | | 151 | 143.1 | 125.2 | -80.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 307 | S | 40.6 | Very low | 42.9 | Very low | 91 Ų | 91 | 117.8 Ų | 117.8 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | | | cis | -178.8 | 147 | -5.9 | -90 | 0 | 0 | 0 | 0 | 106.8 | | |
| 308 | V | 44.7 | Very low | 43.4 | Very low | 145 Ų | 145 | 116.6 Ų | 116.6 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | trans | 63 | 144.4 | 149.1 | -56.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 309 | S | 40.7 | Very low | 44.1 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | cis | -166.9 | 146.6 | 22.3 | 94.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 310 | S | 41.6 | Very low | 44.7 | Very low | 94 Ų | 94 | 118 Ų | 118 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | | | trans | 51.6 | 109.7 | 138.3 | 5.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 311 | T | 44.6 | Very low | 44.7 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | | | | 71.7 | 160.7 | 81.8 | 60.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 312 | P | 49.3 | Very low | 45.1 | Very low | 108 Ų | 108 | 123 Ų | 123 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | | -143 | -171.2 | -50.9 | 42.1 | -23.2 | 0 | 0 | 0 | 114.8 | | |
| 313 | S | 42.3 | Very low | 45 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | 80.6 | 125.8 | 160 | -61.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 314 | T | 42.8 | Very low | 45.4 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | | | | -169.8 | 155.1 | 67.4 | -55 | 0 | 0 | 0 | 0 | 110.9 | | |
| 315 | A | 47.1 | Very low | 45.1 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -85.9 | -151.3 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 316 | P | 45.9 | Very low | 45.2 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | | -127.6 | 157.6 | -92.1 | 38 | -21.2 | 0 | 0 | 0 | 114.9 | | |
| 317 | T | 44.9 | Very low | 45.4 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | | | trans | -154.9 | 147.4 | 161 | -15.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 318 | A | 49.1 | Very low | 45.4 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -68.3 | 172.2 | -161.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 319 | P | 47.9 | Very low | 45.6 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -91.1 | 144.6 | -172.4 | 35.7 | -29.2 | 0 | 0 | 0 | 112.6 | | |
| 320 | S | 49.2 | Very low | 45.9 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | -113.3 | 129.4 | 175.5 | 2.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 321 | S | 43.7 | Very low | 46.1 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -58.7 | 134.2 | 174.9 | -44.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 322 | F | 49.6 | Very low | 46 | Very low | 202 Ų | 202 | 129.8 Ų | 129.8 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | | | trans | -114.1 | 102.2 | 160.8 | -77.9 | -77.8 | 0 | 0 | 0 | 109.2 | | |
| 323 | L | 47.5 | Very low | 45.9 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 120.4 | 159.3 | -70.6 | 168.2 | 0 | 0 | 0 | 107.3 | | |
| 324 | Y | 51.9 | Low | 45.9 | Very low | 216 Ų | 216 | 129.6 Ų | 129.6 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 117.5 | 168.7 | 179.9 | -105 | 0 | 0 | 0 | 108.6 | | |
| 325 | W | 43 | Very low | 46 | Very low | 246 Ų | 246 | 126.8 Ų | 126.8 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 132.2 | 176.6 | -172.2 | -48.7 | 0 | 0 | 0 | 108.9 | | |
| 326 | G | 39.9 | Very low | 46.1 | Very low | 42 Ų | 42 | 127.5 Ų | 127.5 | 43% | 0.433 | 81% | 0.814 | S | S | . | * | | | trans | 104 | 110.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 327 | N | 46.1 | Very low | 46.5 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | | | | -150.5 | 119.9 | 123.9 | -158.8 | 23 | 0 | 0 | 0 | 110.1 | | |
| 328 | S | 42.4 | Very low | 47.5 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -81 | 132.8 | 175 | -63.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 329 | G | 47.8 | Very low | 47.6 | Very low | 67 Ų | 67 | 134.3 Ų | 134.3 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | | | trans | -155.8 | 75.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 330 | I | 47.6 | Very low | 47.7 | Very low | 179 Ų | 179 | 136 Ų | 136 | 92% | 0.918 | 82% | 0.816 | S | S | * | * | | | trans | 18.8 | 116 | 141.2 | 20.3 | 172.3 | 0 | 0 | 0 | 118.5 | | |
| 331 | G | 45.3 | Very low | 47.7 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | | | trans | 121.4 | 116.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 332 | G | 42.1 | Very low | 48.1 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | trans | 134.9 | 92.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 333 | A | 47 | Very low | 48 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | | | trans | 53.8 | 127 | 142.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 334 | A | 42.3 | Very low | 47.8 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | -68.4 | 141.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 335 | A | 46.1 | Very low | 47.5 | Very low | 88 Ų | 88 | 123.3 Ų | 123.3 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -147.2 | 101.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 336 | A | 48.6 | Very low | 48.1 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | -76.9 | 132 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 337 | W | 55.5 | Low | 48.5 | Very low | 238 Ų | 238 | 123.6 Ų | 123.6 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | | | trans | -109.8 | 130.6 | 160.7 | -68.9 | 76.3 | 0 | 0 | 0 | 107.5 | D339 | W337-D339 PolarHBondContact O-N 3.33Š|
| 338 | P | 65.7 | Low | 48.9 | Very low | 114 Ų | 114 | 120.3 Ų | 120.3 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | | | trans | -76.2 | 120.7 | 174.9 | 28.8 | -30.6 | 0 | 0 | 0 | 110.5 | | |
| 339 | D | 50.3 | Low | 49.6 | Very low | 148 Ų | 148 | 120.2 Ų | 120.2 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | -73.2 | 117.8 | 167 | -161 | -37.7 | 0 | 0 | 0 | 108.8 | W337 A341 | W337-D339 PolarHBondContact O-N 3.33Å; D339-A341 VanDerWaalsContact C-N 3.35Å; D339-A341 PolarHBondContact O-N 3.49Å |
| 340 | L | 50 | Low | 50.1 | Low | 167 Ų | 167 | 123.9 Ų | 123.9 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -81.5 | 85 | 169.1 | -87.4 | 94.9 | 0 | 0 | 0 | 109.2 | | |
| 341 | A | 48.8 | Very low | 50.6 | Low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | | | trans | -107.1 | 97.8 | 153.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | D339 | D339-A341 VanDerWaalsContact C-N 3.35Å; D339-A341 PolarHBondContact O-N 3.49Å |
| 342 | N | 52.2 | Low | 50.9 | Low | 143 Ų | 143 | 130.6 Ų | 130.6 | 77% | 0.765 | 83% | 0.825 | S | S | * | * | | | trans | -147.1 | 131.5 | 162.5 | -159.9 | 10.9 | 0 | 0 | 0 | 113.1 | | |
| 343 | C | 48.7 | Very low | 51.4 | Low | 109 Ų | 109 | 133.4 Ų | 133.4 | 74% | 0.736 | 83% | 0.828 | S | S | * | * | | | trans | 58.3 | 122.9 | 148.6 | 64 | 0 | 0 | 0 | 0 | 120.1 | | |
| 344 | G | 43.1 | Very low | 51.6 | Low | 77 Ų | 77 | 134.8 Ų | 134.8 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | | | trans | 162.6 | 26.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | S346 | G344-S346 PolarHBondContact O-N 3.34Š|
| 345 | S | 45.3 | Very low | 52.1 | Low | 124 Ų | 124 | 136.6 Ų | 136.6 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | | | trans | -76.5 | 118.6 | 161.8 | -58.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 346 | S | 54.9 | Low | 52.5 | Low | 124 Ų | 124 | 139.7 Ų | 139.7 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | | | trans | -147.7 | 90.5 | 157.9 | -79.9 | 0 | 0 | 0 | 0 | 108.6 | G344 | G344-S346 PolarHBondContact O-N 3.34Š|
| 347 | I | 48.3 | Very low | 52.8 | Low | 169 Ų | 169 | 142.3 Ų | 142.3 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | | | trans | -89.9 | 118.7 | 149.6 | -97.3 | 165.3 | 0 | 0 | 0 | 105 | | |
| 348 | A | 54.1 | Low | 52.6 | Low | 98 Ų | 98 | 135.4 Ų | 135.4 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | | | trans | -147.9 | 103.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 349 | T | 57.7 | Low | 51.6 | Low | 116 Ų | 116 | 137.1 Ų | 137.1 | 71% | 0.712 | 83% | 0.829 | S | S | * | * | | | trans | -52.7 | 147.4 | 164 | -43.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 350 | L | 58.7 | Low | 51.7 | Low | 144 Ų | 144 | 136.2 Ų | 136.2 | 75% | 0.754 | 83% | 0.832 | S | S | * | * | | | trans | 130 | 121.9 | 140 | -67.4 | 166.9 | 0 | 0 | 0 | 114.3 | | |
| 351 | F | 58.5 | Low | 51.9 | Low | 275 Ų | 275 | 133.4 Ų | 133.4 | 100% | 1.206 | 83% | 0.828 | S | S | * | * | | | trans | 83.9 | 0 | 173.3 | -64.8 | -80.1 | 0 | 0 | 0 | 118.4 | | |