| 1 | M | 41.9 | Very low | 46.8 | Very low | 238 Ų | 238 | 138.2 Ų | 138.2 | 100% | 1.172 | 80% | 0.796 | S | S | * | * | | | | 0 | 117.9 | 0 | -84.3 | -117.9 | 166.2 | 0 | 0 | 107.8 | | |
| 2 | V | 44 | Very low | 46.7 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -108.5 | 119 | -179.6 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 3 | V | 44.3 | Very low | 46.6 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | trans | -97.3 | 110.3 | -179.2 | -168.2 | 0 | 0 | 0 | 0 | 108.1 | V5 | V3-V5 PolarHBondContact O-N 3.48Š|
| 4 | L | 46.1 | Very low | 46.5 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | | | trans | -77.9 | 105.6 | 172.2 | -76.2 | 162.6 | 0 | 0 | 0 | 108.8 | V6 | L4-V6 PolarHBondContact O-N 2.84Š|
| 5 | V | 50 | Low | 46.3 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -78.5 | 97.8 | 173.2 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | V3 S7 | V3-V5 PolarHBondContact O-N 3.48Å; V5-S7 PolarHBondContact O-N 2.98Å |
| 6 | V | 47.3 | Very low | 46 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 62% | 0.618 | 78% | 0.781 | S | S | * | * | | | trans | -80.4 | 96.9 | 171.9 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | L4 F8 | L4-V6 PolarHBondContact O-N 2.84Å; V6-F8 HydrophobicContact CB-CE2 4.16Å; V6-F8 HydrophobicContact CG1-CD2 4.05Å; V6-F8 HydrophobicContact CG1-CE1 4.37Å; V6-F8 HydrophobicContact CG1-CE2 3.55Å; V6-F8 HydrophobicContact CG1-CZ 3.74Å; V6-F8 PolarHBondContact O-N 2.78Å |
| 7 | S | 51.4 | Low | 45.8 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -76.8 | 102.4 | 173.1 | -66.6 | 0 | 0 | 0 | 0 | 109.9 | V5 G9 | V5-S7 PolarHBondContact O-N 2.98Å; S7-G9 PolarHBondContact O-N 3.42Å |
| 8 | F | 52.3 | Low | 45.8 | Very low | 189 Ų | 189 | 128.3 Ų | 128.3 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | | | trans | -74.7 | 79.5 | 166.4 | -67.1 | -87.5 | 0 | 0 | 0 | 109.1 | V6 C10 | V6-F8 HydrophobicContact CB-CE2 4.16Å; V6-F8 HydrophobicContact CG1-CD2 4.05Å; V6-F8 HydrophobicContact CG1-CE1 4.37Å; V6-F8 HydrophobicContact CG1-CE2 3.55Å; V6-F8 HydrophobicContact CG1-CZ 3.74Å; V6-F8 PolarHBondContact O-N 2.78Å; F8-C10 PolarHBondContact O-N 2.79Å |
| 9 | G | 48.2 | Very low | 45.7 | Very low | 53 Ų | 53 | 126.6 Ų | 126.6 | 55% | 0.546 | 78% | 0.776 | S | S | . | * | | | trans | -60.2 | 133.2 | 166 | 0 | 0 | 0 | 0 | 0 | 109 | S7 L11 | S7-G9 PolarHBondContact O-N 3.42Å; G9-L11 PolarHBondContact O-N 2.78Å |
| 10 | C | 45.6 | Very low | 46 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -54.5 | 108.3 | 168.9 | -72.2 | 0 | 0 | 0 | 0 | 108 | F8 N12 | F8-C10 PolarHBondContact O-N 2.79Å; C10-N12 PolarHBondContact O-N 2.91Å |
| 11 | L | 43.8 | Very low | 46.2 | Very low | 173 Ų | 173 | 129 Ų | 129 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | | | trans | -64.6 | 89.7 | 168.3 | -87.2 | 96.4 | 0 | 0 | 0 | 107.5 | G9 P13 | G9-L11 PolarHBondContact O-N 2.78Å; L11-P13 WeakPolarHBondContact O-CD 3.18Å |
| 12 | N | 45.4 | Very low | 46.5 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | | | trans | -70.5 | 121.2 | 159.3 | -165.1 | -6.3 | 0 | 0 | 0 | 105.8 | C10 A14 | C10-N12 PolarHBondContact O-N 2.91Å; N12-A14 HydrophobicContact CB-CB 4.33Å; N12-A14 PolarHBondContact O-N 2.75Å; N12-A14 WeakPolarHBondContact OD1-CB 3.21Å |
| 13 | P | 45.8 | Very low | 46.5 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -70.6 | 35.3 | 175.5 | 31.2 | -35.2 | 0 | 0 | 0 | 112.2 | L11 | L11-P13 WeakPolarHBondContact O-CD 3.18Š|
| 14 | A | 44.6 | Very low | 46.5 | Very low | 66 Ų | 66 | 120.3 Ų | 120.3 | 55% | 0.545 | 75% | 0.754 | S | S | . | * | | | trans | -104.2 | 9.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N12 A16 | N12-A14 HydrophobicContact CB-CB 4.33Å; N12-A14 PolarHBondContact O-N 2.75Å; N12-A14 WeakPolarHBondContact OD1-CB 3.21Å; A14-A16 PolarHBondContact O-N 3.21Å |
| 15 | I | 44.5 | Very low | 46.2 | Very low | 168 Ų | 168 | 116.8 Ų | 116.8 | 86% | 0.862 | 76% | 0.755 | S | S | * | * | | | trans | -89.5 | 84.5 | 170 | -56.8 | 162.7 | 0 | 0 | 0 | 107.7 | | |
| 16 | A | 40.7 | Very low | 45.9 | Very low | 101 Ų | 101 | 114.1 Ų | 114.1 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 164.6 | 54.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 113 | A14 | A14-A16 PolarHBondContact O-N 3.21Š|
| 17 | A | 43.2 | Very low | 46.1 | Very low | 76 Ų | 76 | 119 Ų | 119 | 63% | 0.628 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -161.8 | 135.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A19 | A17-A19 PolarHBondContact O-N 2.82Š|
| 18 | P | 45.8 | Very low | 46 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 132.4 | 169.7 | 24.6 | -31.2 | 0 | 0 | 0 | 109 | P20 | P18-P20 WeakPolarHBondContact O-CD 3.18Š|
| 19 | A | 43.7 | Very low | 46.2 | Very low | 96 Ų | 96 | 111.7 Ų | 111.7 | 79% | 0.793 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 120.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112 | A17 | A17-A19 PolarHBondContact O-N 2.82Š|
| 20 | P | 50.8 | Low | 46.4 | Very low | 120 Ų | 120 | 111 Ų | 111 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 141.9 | 167.3 | 27.9 | -30.8 | 0 | 0 | 0 | 109.7 | P18 | P18-P20 WeakPolarHBondContact O-CD 3.18Š|
| 21 | E | 49.9 | Very low | 46.9 | Very low | 184 Ų | 184 | 106.9 Ų | 106.9 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 142.3 | -179.2 | -63.6 | 172.3 | 91.2 | 0 | 0 | 111.9 | A23 | E21-A23 PolarHBondContact O-N 3.45Š|
| 22 | P | 48.8 | Very low | 47.4 | Very low | 99 Ų | 99 | 103.8 Ų | 103.8 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | | | trans | -65.5 | 110 | -176.3 | 25.4 | -31.3 | 0 | 0 | 0 | 109.8 | | |
| 23 | A | 43.8 | Very low | 47.7 | Very low | 81 Ų | 81 | 102 Ų | 102 | 67% | 0.669 | 69% | 0.688 | S | S | * | * | | | trans | -51.4 | 129.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | E21 G25 | E21-A23 PolarHBondContact O-N 3.45Å; A23-G25 VanDerWaalsContact C-N 3.28Å; A23-G25 PolarHBondContact O-N 3.4Å |
| 24 | P | 44 | Very low | 47.9 | Very low | 142 Ų | 142 | 97.4 Ų | 97.4 | 92% | 0.922 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 84.7 | 179.4 | 29.9 | -32 | 0 | 0 | 0 | 108.6 | | |
| 25 | G | 40.1 | Very low | 48.2 | Very low | 81 Ų | 81 | 96.2 Ų | 96.2 | 84% | 0.835 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.4 | -4.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | A23 | A23-G25 VanDerWaalsContact C-N 3.28Å; A23-G25 PolarHBondContact O-N 3.4Å |
| 26 | G | 45.2 | Very low | 48.6 | Very low | 64 Ų | 64 | 93.6 Ų | 93.6 | 66% | 0.66 | 64% | 0.643 | S | S | * | * | | | trans | -124.9 | 11.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | C28 | G26-C28 PolarHBondContact O-N 2.97Š|
| 27 | R | 50 | Low | 49 | Very low | 204 Ų | 204 | 95.6 Ų | 95.6 | 77% | 0.77 | 64% | 0.635 | S | S | * | * | | | trans | -84.2 | 103.9 | -177.9 | -68.4 | -176.1 | 179.3 | -167.7 | -0.1 | 109.9 | P29 | R27-P29 WeakPolarHBondContact O-CD 3.48Š|
| 28 | C | 50.6 | Low | 49.5 | Very low | 26 Ų | 26 | 93 Ų | 93 | 18% | 0.176 | 61% | 0.612 | C | S | . | * | | | trans | -72.1 | 104.9 | 155.9 | -104.8 | 0 | 0 | 0 | 0 | 108 | G26 C30 C31 C53 | G26-C28 PolarHBondContact O-N 2.97Å; C28-C30 PolarHBondContact O-N 3.44Å; C28-C31 PolarHBondContact O-N 3.45Å; C28-C31 VanDerWaalsContact O-N 3.09Å; C28-C53 HydrophobicContact CB-CB 3.49Å; C28-C53 VanDerWaalsContact CB-CB 3.49Å; C28-C53 WeakPolarHBondContact CB-SG 3.47Å; C28-C53 WeakPolarHBondContact SG-CB 3.46Å; C28-C53 CovalentContact SG-SG 2.01Å; C28-C53 PolarHBondContact SG-SG 3.08Å |
| 29 | P | 55.2 | Low | 49.9 | Very low | 116 Ų | 116 | 92.1 Ų | 92.1 | 75% | 0.753 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -21.8 | -179.4 | 28 | -35.7 | 0 | 0 | 0 | 111.8 | R27 | R27-P29 WeakPolarHBondContact O-CD 3.48Š|
| 30 | C | 53.2 | Low | 50.2 | Low | 39 Ų | 39 | 97.4 Ų | 97.4 | 26% | 0.264 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -20.6 | 179.4 | 22.6 | 0 | 0 | 0 | 0 | 114.6 | C28 C44 | C28-C30 PolarHBondContact O-N 3.44Å; C30-C44 HydrophobicContact CB-CB 3.57Å; C30-C44 WeakPolarHBondContact CB-SG 3.33Å |
| 31 | C | 56.9 | Low | 50.5 | Low | 31 Ų | 31 | 91.8 Ų | 91.8 | 21% | 0.209 | 57% | 0.569 | C | S | . | * | | | trans | -132.1 | 24 | -168.9 | -45.7 | 0 | 0 | 0 | 0 | 113.6 | C28 G33 A34 C41 | C28-C31 PolarHBondContact O-N 3.45Å; C28-C31 VanDerWaalsContact O-N 3.09Å; C31-G33 PolarHBondContact O-N 3.38Å; C31-A34 PolarHBondContact O-N 3.45Å; C31-C41 WeakPolarHBondContact CB-SG 3.45Å; C31-C41 WeakPolarHBondContact SG-CB 3.23Å; C31-C41 CovalentContact SG-SG 2.09Å; C31-C41 PolarHBondContact SG-SG 3.45Å |
| 32 | S | 53.1 | Low | 50.9 | Low | 108 Ų | 108 | 86.6 Ų | 86.6 | 76% | 0.755 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 27.1 | 173.7 | -59.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 33 | G | 51.8 | Low | 51.2 | Low | 76 Ų | 76 | 85 Ų | 85 | 78% | 0.784 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.9 | 7.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C31 | C31-G33 PolarHBondContact O-N 3.38Š|
| 34 | A | 49.9 | Very low | 51.7 | Low | 40 Ų | 40 | 83 Ų | 83 | 33% | 0.331 | 53% | 0.534 | S | S | . | . | | | trans | -130.9 | 53.8 | -160.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | C31 | C31-A34 PolarHBondContact O-N 3.45Š|
| 35 | C | 52.2 | Low | 52.5 | Low | 40 Ų | 40 | 87.8 Ų | 87.8 | 27% | 0.27 | 53% | 0.534 | S | S | . | . | | | trans | -157.3 | 96.8 | 159.1 | -93.6 | 0 | 0 | 0 | 0 | 113 | C38 C56 | C35-C38 WeakPolarHBondContact CB-SG 2.96Å; C35-C38 WeakPolarHBondContact SG-CB 3.13Å; C35-C38 CovalentContact SG-SG 2.06Å; C35-C38 PolarHBondContact SG-SG 3.38Å; C35-C56 HydrophobicContact CB-CB 4.38Å; C35-C56 WeakPolarHBondContact CB-SG 3.25Å; C35-C56 VanDerWaalsContact SG-SG 3.61Å |
| 36 | P | 52.8 | Low | 53.2 | Low | 114 Ų | 114 | 87.3 Ų | 87.3 | 74% | 0.74 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -110.2 | -10.7 | 140.7 | 28 | -26.8 | 0 | 0 | 0 | 113.8 | | |
| 37 | Q | 48.6 | Very low | 53.6 | Low | 143 Ų | 143 | 84.6 Ų | 84.6 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -148 | -3.4 | -178.3 | -66.2 | 179.5 | -34 | 0 | 0 | 116 | P39 | Q37-P39 WeakPolarHBondContact O-CD 3.31Š|
| 38 | C | 53.7 | Low | 53.8 | Low | 22 Ų | 22 | 86 Ų | 86 | 15% | 0.149 | 51% | 0.506 | C | S | . | . | | | trans | 38.5 | 46.4 | 171.9 | -37.4 | 0 | 0 | 0 | 0 | 121.7 | C35 R40 C41 | C35-C38 WeakPolarHBondContact CB-SG 2.96Å; C35-C38 WeakPolarHBondContact SG-CB 3.13Å; C35-C38 CovalentContact SG-SG 2.06Å; C35-C38 PolarHBondContact SG-SG 3.38Å; C38-R40 PolarHBondContact O-N 2.92Å; C38-C41 HydrophobicContact CB-CB 4.3Å |
| 39 | P | 53.4 | Low | 54.2 | Low | 108 Ų | 108 | 88 Ų | 88 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -7.9 | 159.5 | 31.8 | -34.2 | 0 | 0 | 0 | 113.3 | Q37 | Q37-P39 WeakPolarHBondContact O-CD 3.31Š|
| 40 | R | 51.4 | Low | 54.3 | Low | 208 Ų | 208 | 84 Ų | 84 | 79% | 0.785 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -32 | -173.5 | -72.1 | -81 | 149.3 | 165 | -7.1 | 114.2 | C38 G43 | C38-R40 PolarHBondContact O-N 2.92Å; R40-G43 PolarHBondContact O-N 3.45Å |
| 41 | C | 56.5 | Low | 54.5 | Low | 1 Ų | 1 | 88.3 Ų | 88.3 | 1% | 0.007 | 53% | 0.531 | C | S | . | . | G | 310 helix | trans | -70.9 | -30.8 | 176.8 | -169.8 | 0 | 0 | 0 | 0 | 110.4 | C31 C38 G43 C44 C47 | C31-C41 WeakPolarHBondContact CB-SG 3.45Å; C31-C41 WeakPolarHBondContact SG-CB 3.23Å; C31-C41 CovalentContact SG-SG 2.09Å; C31-C41 PolarHBondContact SG-SG 3.45Å; C38-C41 HydrophobicContact CB-CB 4.3Å; C41-G43 PolarHBondContact O-N 2.97Å; C41-C44 PolarHBondContact O-N 3.18Å; C41-C47 VanDerWaalsContact O-CB 3.29Å; C41-C47 WeakPolarHBondContact O-CB 3.21Å |
| 42 | C | 57.2 | Low | 54.7 | Low | 76 Ų | 76 | 87 Ų | 87 | 51% | 0.514 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -68.9 | -12.2 | 170.3 | -68.8 | 0 | 0 | 0 | 0 | 115 | | |
| 43 | G | 54.9 | Low | 55 | Low | 66 Ų | 66 | 85 Ų | 85 | 68% | 0.68 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -89.7 | -7.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | R40 C41 | R40-G43 PolarHBondContact O-N 3.45Å; C41-G43 PolarHBondContact O-N 2.97Å |
| 44 | C | 55.9 | Low | 55.3 | Low | 37 Ų | 37 | 85.7 Ų | 85.7 | 25% | 0.25 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -73.5 | 131.5 | 179.1 | -69.7 | 0 | 0 | 0 | 0 | 110.6 | C30 C41 G46 C47 | C30-C44 HydrophobicContact CB-CB 3.57Å; C30-C44 WeakPolarHBondContact CB-SG 3.33Å; C41-C44 PolarHBondContact O-N 3.18Å; C44-G46 PolarHBondContact O-N 2.97Å; C44-C47 HydrophobicContact CB-CB 4.2Å; C44-C47 PolarHBondContact O-N 3.48Å |
| 45 | R | 59.2 | Low | 55.6 | Low | 243 Ų | 243 | 85 Ų | 85 | 92% | 0.917 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -26.9 | -179.5 | -146.3 | 174.7 | -171.3 | 173.7 | 1.6 | 112.7 | | |
| 46 | G | 55 | Low | 55.8 | Low | 72 Ų | 72 | 85.7 Ų | 85.7 | 74% | 0.742 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -3.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | C44 | C44-G46 PolarHBondContact O-N 2.97Š|
| 47 | C | 55 | Low | 55.9 | Low | 6 Ų | 6 | 81.7 Ų | 81.7 | 4% | 0.041 | 49% | 0.49 | C | S | . | . | | | trans | -107.1 | 20.6 | 177.2 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | C41 C44 G49 G50 | C41-C47 VanDerWaalsContact O-CB 3.29Å; C41-C47 WeakPolarHBondContact O-CB 3.21Å; C44-C47 HydrophobicContact CB-CB 4.2Å; C44-C47 PolarHBondContact O-N 3.48Å; C47-G49 PolarHBondContact O-N 2.98Å; C47-G49 VanDerWaalsContact O-N 3.08Å; C47-G50 PolarHBondContact O-N 2.92Å |
| 48 | R | 53.9 | Low | 56.2 | Low | 234 Ų | 234 | 77.5 Ų | 77.5 | 88% | 0.883 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 105.7 | 176.6 | -124.3 | -179.6 | -167.9 | -142.4 | 1.5 | 108.3 | | |
| 49 | G | 59.4 | Low | 56.2 | Low | 67 Ų | 67 | 85.5 Ų | 85.5 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 139 | -12.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C47 D51 | C47-G49 PolarHBondContact O-N 2.98Å; C47-G49 VanDerWaalsContact O-N 3.08Å; G49-D51 PolarHBondContact O-N 3.28Å |
| 50 | G | 56.4 | Low | 56.1 | Low | 32 Ų | 32 | 87.3 Ų | 87.3 | 33% | 0.33 | 50% | 0.496 | S | S | . | . | S | Bend | trans | 84.3 | -7.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C47 C52 | C47-G50 PolarHBondContact O-N 2.92Å; G50-C52 VanDerWaalsContact C-N 3.33Å; G50-C52 PolarHBondContact O-N 3.09Å; G50-C52 VanDerWaalsContact O-N 3.09Å |
| 51 | D | 58 | Low | 56.2 | Low | 131 Ų | 131 | 86.8 Ų | 86.8 | 70% | 0.701 | 49% | 0.494 | S | S | * | . | | | trans | -82.9 | 72.3 | 172.5 | -66.1 | -79 | 0 | 0 | 0 | 111.3 | G49 | G49-D51 PolarHBondContact O-N 3.28Š|
| 52 | C | 60.8 | Low | 56.1 | Low | 3 Ų | 3 | 90.7 Ų | 90.7 | 2% | 0.02 | 52% | 0.518 | C | S | . | . | | | trans | -66.5 | 146.7 | 164.4 | -65.3 | 0 | 0 | 0 | 0 | 109.3 | G50 G54 G55 C56 C57 | G50-C52 VanDerWaalsContact C-N 3.33Å; G50-C52 PolarHBondContact O-N 3.09Å; G50-C52 VanDerWaalsContact O-N 3.09Å; C52-G54 PolarHBondContact O-N 3.44Å; C52-G55 PolarHBondContact O-N 3.4Å; C52-C56 HydrophobicContact CB-CB 4.19Å; C52-C57 VanDerWaalsContact SG-SG 3.6Å |
| 53 | C | 58 | Low | 55.9 | Low | 66 Ų | 66 | 91.7 Ų | 91.7 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -47 | 127.9 | 177.7 | -88.6 | 0 | 0 | 0 | 0 | 111.5 | C28 G55 | C28-C53 HydrophobicContact CB-CB 3.49Å; C28-C53 VanDerWaalsContact CB-CB 3.49Å; C28-C53 WeakPolarHBondContact CB-SG 3.47Å; C28-C53 WeakPolarHBondContact SG-CB 3.46Å; C28-C53 CovalentContact SG-SG 2.01Å; C28-C53 PolarHBondContact SG-SG 3.08Å; C53-G55 VanDerWaalsContact C-N 3.31Å; C53-G55 PolarHBondContact O-N 3.18Å |
| 54 | G | 58.3 | Low | 55.8 | Low | 91 Ų | 91 | 92 Ų | 92 | 94% | 0.938 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | 71.9 | 16.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | C52 C56 | C52-G54 PolarHBondContact O-N 3.44Å; G54-C56 VanDerWaalsContact C-N 3.32Å; G54-C56 PolarHBondContact O-N 3.5Å |
| 55 | G | 56.2 | Low | 55.7 | Low | 25 Ų | 25 | 94.7 Ų | 94.7 | 26% | 0.258 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | 69.9 | 27.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C52 C53 C57 S58 R59 | C52-G55 PolarHBondContact O-N 3.4Å; C53-G55 VanDerWaalsContact C-N 3.31Å; C53-G55 PolarHBondContact O-N 3.18Å; G55-C57 PolarHBondContact O-N 2.97Å; G55-S58 WeakPolarHBondContact O-CA 3.49Å; G55-S58 WeakPolarHBondContact O-CB 3.49Å; G55-S58 PolarHBondContact O-N 3.41Å; G55-R59 PolarHBondContact O-N 2.06Å |
| 56 | C | 56.2 | Low | 55.4 | Low | 55 Ų | 55 | 87.2 Ų | 87.2 | 37% | 0.372 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -36.1 | -174.7 | -143.5 | 0 | 0 | 0 | 0 | 113.4 | C35 C52 G54 | C35-C56 HydrophobicContact CB-CB 4.38Å; C35-C56 WeakPolarHBondContact CB-SG 3.25Å; C35-C56 VanDerWaalsContact SG-SG 3.61Å; C52-C56 HydrophobicContact CB-CB 4.19Å; G54-C56 VanDerWaalsContact C-N 3.32Å; G54-C56 PolarHBondContact O-N 3.5Å |
| 57 | C | 56.6 | Low | 55.3 | Low | 29 Ų | 29 | 87.5 Ų | 87.5 | 20% | 0.196 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -24.8 | 174.3 | -69 | 0 | 0 | 0 | 0 | 113.5 | C52 G55 | C52-C57 VanDerWaalsContact SG-SG 3.6Å; G55-C57 PolarHBondContact O-N 2.97Å |
| 58 | S | 54.9 | Low | 55.1 | Low | 55 Ų | 55 | 94.2 Ų | 94.2 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.1 | -36 | 180 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | G55 R60 R61 T62 | G55-S58 WeakPolarHBondContact O-CA 3.49Å; G55-S58 WeakPolarHBondContact O-CB 3.49Å; G55-S58 PolarHBondContact O-N 3.41Å; S58-R60 VanDerWaalsContact C-N 3.26Å; S58-R60 PolarHBondContact O-N 3.18Å; S58-R61 PolarHBondContact O-N 3.29Å; S58-T62 PolarHBondContact O-N 3.18Å; S58-T62 PolarHBondContact O-OG1 3.4Å |
| 59 | R | 52.3 | Low | 55 | Low | 190 Ų | 190 | 89.2 Ų | 89.2 | 72% | 0.717 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.9 | -26.7 | -179.7 | -156.3 | 163 | -171.9 | 177.3 | 0.5 | 113.2 | G55 T62 I63 | G55-R59 PolarHBondContact O-N 2.06Å; R59-T62 PolarHBondContact O-N 3.26Å; R59-I63 HydrophobicContact CG-CD1 4.16Å; R59-I63 WeakPolarHBondContact O-CD1 3.25Å; R59-I63 VanDerWaalsContact O-CG1 3.25Å; R59-I63 WeakPolarHBondContact O-CG1 3.15Å; R59-I63 PolarHBondContact O-N 2.09Å |
| 60 | R | 51.9 | Low | 54.8 | Low | 147 Ų | 147 | 92 Ų | 92 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71.6 | -34.3 | 175.3 | -156.3 | -172.7 | -169.9 | -160.8 | 2.9 | 112.7 | S58 T62 I63 N64 | S58-R60 VanDerWaalsContact C-N 3.26Å; S58-R60 PolarHBondContact O-N 3.18Å; R60-T62 VanDerWaalsContact C-N 3.34Å; R60-I63 PolarHBondContact O-N 2.01Å; R60-N64 WeakPolarHBondContact O-CB 3.11Å; R60-N64 PolarHBondContact O-N 3.09Å |
| 61 | R | 53.3 | Low | 54.8 | Low | 197 Ų | 197 | 96.5 Ų | 96.5 | 74% | 0.743 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -46.5 | 172.6 | -70.9 | -165.7 | -152.7 | 179.4 | 8.3 | 109.9 | S58 I63 N64 T65 | S58-R61 PolarHBondContact O-N 3.29Å; R61-I63 PolarHBondContact O-N 3.26Å; R61-N64 PolarHBondContact O-N 2.86Å; R61-T65 WeakPolarHBondContact O-CB 3.24Å; R61-T65 PolarHBondContact O-N 3.04Å; R61-T65 PolarHBondContact O-OG1 2.76Å |
| 62 | T | 54 | Low | 54.6 | Low | 83 Ų | 83 | 93.5 Ų | 93.5 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 179.1 | -45.1 | 0 | 0 | 0 | 0 | 112 | S58 R59 R60 T65 N66 | S58-T62 PolarHBondContact O-N 3.18Å; S58-T62 PolarHBondContact O-OG1 3.4Å; R59-T62 PolarHBondContact O-N 3.26Å; R60-T62 VanDerWaalsContact C-N 3.34Å; T62-T65 PolarHBondContact O-N 3.48Å; T62-N66 PolarHBondContact O-N 2.92Å; T62-N66 PolarHBondContact O-ND2 3.18Å |
| 63 | I | 54.7 | Low | 54.1 | Low | 97 Ų | 97 | 96.2 Ų | 96.2 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 178.3 | -67 | 162.8 | 0 | 0 | 0 | 111.6 | R59 R60 R61 N66 L67 | R59-I63 HydrophobicContact CG-CD1 4.16Å; R59-I63 WeakPolarHBondContact O-CD1 3.25Å; R59-I63 VanDerWaalsContact O-CG1 3.25Å; R59-I63 WeakPolarHBondContact O-CG1 3.15Å; R59-I63 PolarHBondContact O-N 2.09Å; R60-I63 PolarHBondContact O-N 2.01Å; R61-I63 PolarHBondContact O-N 3.26Å; I63-N66 PolarHBondContact O-N 2.94Å; I63-L67 WeakPolarHBondContact O-CB 3.29Å; I63-L67 PolarHBondContact O-N 3.33Å |
| 64 | N | 51.8 | Low | 53.6 | Low | 73 Ų | 73 | 102.4 Ų | 102.4 | 39% | 0.39 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.1 | -39.6 | 176 | -78.5 | -25.7 | 0 | 0 | 0 | 111.7 | R60 R61 N66 L67 E68 | R60-N64 WeakPolarHBondContact O-CB 3.11Å; R60-N64 PolarHBondContact O-N 3.09Å; R61-N64 PolarHBondContact O-N 2.86Å; N64-N66 VanDerWaalsContact C-N 3.34Å; N64-N66 PolarHBondContact O-N 3.23Å; N64-L67 PolarHBondContact O-N 2.79Å; N64-E68 WeakPolarHBondContact O-CB 3.37Å; N64-E68 VanDerWaalsContact O-CG 3.31Å; N64-E68 WeakPolarHBondContact O-CG 3.34Å; N64-E68 PolarHBondContact O-N 3.32Å |
| 65 | T | 53.9 | Low | 52.8 | Low | 92 Ų | 92 | 103.8 Ų | 103.8 | 56% | 0.564 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.3 | -40.6 | 175.4 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | R61 T62 D69 | R61-T65 WeakPolarHBondContact O-CB 3.24Å; R61-T65 PolarHBondContact O-N 3.04Å; R61-T65 PolarHBondContact O-OG1 2.76Å; T62-T65 PolarHBondContact O-N 3.48Å; T65-D69 WeakPolarHBondContact O-CB 2.89Å; T65-D69 PolarHBondContact O-N 3.06Å |
| 66 | N | 51.9 | Low | 52.1 | Low | 86 Ų | 86 | 112.8 Ų | 112.8 | 46% | 0.46 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.3 | -36 | 174.7 | -76.1 | -88.1 | 0 | 0 | 0 | 111.5 | T62 I63 N64 D69 I70 | T62-N66 PolarHBondContact O-N 2.92Å; T62-N66 PolarHBondContact O-ND2 3.18Å; I63-N66 PolarHBondContact O-N 2.94Å; N64-N66 VanDerWaalsContact C-N 3.34Å; N64-N66 PolarHBondContact O-N 3.23Å; N66-D69 PolarHBondContact O-N 2.84Å; N66-I70 HydrophobicContact CB-CD1 4.34Å; N66-I70 VanDerWaalsContact O-CB 3.23Å; N66-I70 WeakPolarHBondContact O-CB 2.93Å; N66-I70 WeakPolarHBondContact O-CD1 3.47Å; N66-I70 WeakPolarHBondContact O-CG1 3.32Å; N66-I70 PolarHBondContact O-N 3.29Å |
| 67 | L | 53.4 | Low | 51.5 | Low | 78 Ų | 78 | 120.7 Ų | 120.7 | 41% | 0.408 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -73.9 | -34.7 | -179.8 | -163.8 | 73.3 | 0 | 0 | 0 | 112.2 | I63 N64 M71 | I63-L67 WeakPolarHBondContact O-CB 3.29Å; I63-L67 PolarHBondContact O-N 3.33Å; N64-L67 PolarHBondContact O-N 2.79Å; L67-M71 HydrophobicContact CD1-CE 4.11Å; L67-M71 HydrophobicContact CD2-CE 3.55Å; L67-M71 HydrophobicContact CG-CE 3.49Å; L67-M71 VanDerWaalsContact CG-CE 3.49Å; L67-M71 WeakPolarHBondContact O-CB 3.47Å; L67-M71 WeakPolarHBondContact O-CG 3.06Å; L67-M71 PolarHBondContact O-N 3.34Å |
| 68 | E | 51.6 | Low | 51.3 | Low | 148 Ų | 148 | 125.3 Ų | 125.3 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.3 | -31.4 | 171.3 | -69.2 | -169.3 | 110 | 0 | 0 | 111.8 | N64 G72 | N64-E68 WeakPolarHBondContact O-CB 3.37Å; N64-E68 VanDerWaalsContact O-CG 3.31Å; N64-E68 WeakPolarHBondContact O-CG 3.34Å; N64-E68 PolarHBondContact O-N 3.32Å; E68-G72 WeakPolarHBondContact O-CA 3.42Å; E68-G72 PolarHBondContact O-N 2.76Å |
| 69 | D | 52.3 | Low | 51.1 | Low | 129 Ų | 129 | 129 Ų | 129 | 69% | 0.69 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.3 | -37.2 | 171.3 | -165.9 | -101.5 | 0 | 0 | 0 | 111.8 | T65 N66 | T65-D69 WeakPolarHBondContact O-CB 2.89Å; T65-D69 PolarHBondContact O-N 3.06Å; N66-D69 PolarHBondContact O-N 2.84Å |
| 70 | I | 55.5 | Low | 51 | Low | 125 Ų | 125 | 125.6 Ų | 125.6 | 64% | 0.641 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.7 | -33.8 | 178.5 | -63.4 | 160.4 | 0 | 0 | 0 | 112.1 | N66 | N66-I70 HydrophobicContact CB-CD1 4.34Å; N66-I70 VanDerWaalsContact O-CB 3.23Å; N66-I70 WeakPolarHBondContact O-CB 2.93Å; N66-I70 WeakPolarHBondContact O-CD1 3.47Å; N66-I70 WeakPolarHBondContact O-CG1 3.32Å; N66-I70 PolarHBondContact O-N 3.29Å |
| 71 | M | 55.9 | Low | 51 | Low | 127 Ų | 127 | 124.4 Ų | 124.4 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -93.8 | -20 | 178 | -70.9 | -155.6 | -82.3 | 0 | 0 | 114.1 | L67 G73 | L67-M71 HydrophobicContact CD1-CE 4.11Å; L67-M71 HydrophobicContact CD2-CE 3.55Å; L67-M71 HydrophobicContact CG-CE 3.49Å; L67-M71 VanDerWaalsContact CG-CE 3.49Å; L67-M71 WeakPolarHBondContact O-CB 3.47Å; L67-M71 WeakPolarHBondContact O-CG 3.06Å; L67-M71 PolarHBondContact O-N 3.34Å; M71-G73 VanDerWaalsContact C-N 3.3Å; M71-G73 PolarHBondContact O-N 2.99Å |
| 72 | G | 53.4 | Low | 50.8 | Low | 68 Ų | 68 | 119.8 Ų | 119.8 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -3.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E68 | E68-G72 WeakPolarHBondContact O-CA 3.42Å; E68-G72 PolarHBondContact O-N 2.76Å |
| 73 | G | 49.5 | Very low | 50.6 | Low | 59 Ų | 59 | 122.3 Ų | 122.3 | 61% | 0.608 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -13.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | M71 | M71-G73 VanDerWaalsContact C-N 3.3Å; M71-G73 PolarHBondContact O-N 2.99Å |
| 74 | K | 47.4 | Very low | 50.3 | Low | 196 Ų | 196 | 124.1 Ų | 124.1 | 85% | 0.852 | 67% | 0.673 | S | S | * | * | | | trans | -156.2 | 69.7 | -175.2 | -67 | -175.1 | -177.1 | 169.4 | 0 | 114 | | |
| 75 | V | 42.6 | Very low | 50.2 | Low | 120 Ų | 120 | 128 Ų | 128 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | | | trans | -135 | 89.4 | 150.9 | -175 | 0 | 0 | 0 | 0 | 108.1 | I77 | V75-I77 HydrophobicContact CG1-CD1 3.9Å; V75-I77 HydrophobicContact CG1-CG1 4.04Å |
| 76 | K | 41 | Very low | 49.9 | Very low | 215 Ų | 215 | 131 Ų | 131 | 94% | 0.935 | 71% | 0.706 | S | S | * | * | | | trans | -97.9 | 97.2 | 160.5 | -164.7 | 177.3 | -175.2 | -177.7 | 0 | 105.2 | | |
| 77 | I | 44.8 | Very low | 49.8 | Very low | 221 Ų | 221 | 135.1 Ų | 135.1 | 100% | 1.133 | 73% | 0.728 | S | S | * | * | | | trans | -118.3 | 0 | 161 | -62.7 | 166.8 | 0 | 0 | 0 | 105.3 | V75 | V75-I77 HydrophobicContact CG1-CD1 3.9Å; V75-I77 HydrophobicContact CG1-CG1 4.04Å |