| 1 | M | 47.5 | Very low | 46.4 | Very low | 249 Ų | 249 | 169.2 Ų | 169.2 | 100% | 1.227 | 79% | 0.79 | S | S | * | * | | | | 0 | 139.2 | 0 | -163.4 | 173.5 | -167 | 0 | 0 | 108.5 | | |
| 2 | F | 41.5 | Very low | 45.6 | Very low | 196 Ų | 196 | 167.6 Ų | 167.6 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -73.9 | 161.9 | -169.7 | -81.4 | -97.6 | 0 | 0 | 0 | 114.7 | | |
| 3 | R | 51.7 | Low | 45.2 | Very low | 197 Ų | 197 | 166 Ų | 166 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | 105.8 | 134 | 151.9 | -58.6 | -175.1 | -176.6 | -179.2 | 2.1 | 114.2 | | |
| 4 | R | 51.5 | Low | 44.9 | Very low | 175 Ų | 175 | 162.7 Ų | 162.7 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | | | cis | -162.3 | 144.1 | -0.8 | -112.1 | 168.3 | -170.2 | 169.5 | -1.8 | 105.7 | D6 | R4-D6 PolarHBondContact O-N 3.34Š|
| 5 | R | 41.6 | Very low | 45.2 | Very low | 243 Ų | 243 | 160.4 Ų | 160.4 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | | | trans | -72.1 | 111.1 | 158.9 | -76.4 | 178 | -179.6 | 163.8 | -0.6 | 106.4 | | |
| 6 | D | 52.2 | Low | 45.6 | Very low | 124 Ų | 124 | 160.7 Ų | 160.7 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | | | trans | -119 | 99.7 | 161 | -64.8 | -41.2 | 0 | 0 | 0 | 104.5 | R4 | R4-D6 PolarHBondContact O-N 3.34Š|
| 7 | N | 45.9 | Very low | 46.1 | Very low | 120 Ų | 120 | 160.2 Ų | 160.2 | 64% | 0.642 | 78% | 0.777 | S | S | * | * | | | | 75.2 | 117.9 | 91.9 | -91 | -10 | 0 | 0 | 0 | 112.2 | | |
| 8 | M | 46 | Very low | 46.4 | Very low | 151 Ų | 151 | 160.6 Ų | 160.6 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | | | trans | 56.3 | 126.3 | 138.7 | -69.8 | -176.6 | -87.8 | 0 | 0 | 115.3 | | |
| 9 | T | 48.6 | Very low | 46.9 | Very low | 114 Ų | 114 | 158.1 Ų | 158.1 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | | 168.2 | 148.9 | 54.2 | 1.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 10 | T | 39.2 | Very low | 47.1 | Very low | 114 Ų | 114 | 160.2 Ų | 160.2 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | trans | 29.8 | 125.6 | 144.6 | 50 | 0 | 0 | 0 | 0 | 120.9 | | |
| 11 | E | 44.3 | Very low | 47.1 | Very low | 178 Ų | 178 | 158.5 Ų | 158.5 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | | 160.7 | 103.3 | 129.3 | -86.4 | 166 | -159.2 | 0 | 0 | 108.7 | | |
| 12 | L | 37.5 | Very low | 47.1 | Very low | 150 Ų | 150 | 152 Ų | 152 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | | 59.9 | 100.7 | 94.8 | -97.7 | 132.9 | 0 | 0 | 0 | 114.7 | | |
| 13 | I | 40.6 | Very low | 47.7 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | trans | 56.3 | 103.3 | 140.5 | -50.4 | 175.9 | 0 | 0 | 0 | 117.7 | | |
| 14 | T | 41.2 | Very low | 47.6 | Very low | 120 Ų | 120 | 152 Ų | 152 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -178.8 | 135.9 | 151.5 | 37.4 | 0 | 0 | 0 | 0 | 105 | | |
| 15 | D | 48.6 | Very low | 47.8 | Very low | 128 Ų | 128 | 153.2 Ų | 153.2 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | | | cis | -155.7 | 136.6 | 14.3 | -81.2 | -46.4 | 0 | 0 | 0 | 107.7 | E17 | D15-E17 VanDerWaalsContact C-N 3.29Å; D15-E17 HydrophobicContact CB-CG 4.32Å; D15-E17 PolarHBondContact O-N 3.3Å; D15-E17 VanDerWaalsContact O-N 3.08Å |
| 16 | I | 51.7 | Low | 48.6 | Very low | 165 Ų | 165 | 147.4 Ų | 147.4 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -78.6 | 85.3 | 165.1 | -61.7 | 168.9 | 0 | 0 | 0 | 106.4 | L18 | I16-L18 PolarHBondContact O-N 3.47Š|
| 17 | E | 54.8 | Low | 48.3 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | | | trans | -76.8 | 99.6 | 171.9 | -82 | -167.6 | 151.7 | 0 | 0 | 110.5 | D15 T19 | D15-E17 VanDerWaalsContact C-N 3.29Å; D15-E17 HydrophobicContact CB-CG 4.32Å; D15-E17 PolarHBondContact O-N 3.3Å; D15-E17 VanDerWaalsContact O-N 3.08Å; E17-T19 VanDerWaalsContact C-N 3.35Å; E17-T19 PolarHBondContact O-N 2.9Å; E17-T19 VanDerWaalsContact O-N 3.11Å |
| 18 | L | 51.2 | Low | 48.5 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -72.2 | 85.6 | 162 | -80.7 | 159.5 | 0 | 0 | 0 | 109.6 | I16 | I16-L18 PolarHBondContact O-N 3.47Š|
| 19 | T | 56.2 | Low | 48.6 | Very low | 113 Ų | 113 | 155.7 Ų | 155.7 | 69% | 0.693 | 80% | 0.799 | S | S | * | * | | | trans | -119.4 | 100 | 172.6 | 42.1 | 0 | 0 | 0 | 0 | 111 | E17 | E17-T19 VanDerWaalsContact C-N 3.35Å; E17-T19 PolarHBondContact O-N 2.9Å; E17-T19 VanDerWaalsContact O-N 3.11Å |
| 20 | K | 50.3 | Low | 48.9 | Very low | 201 Ų | 201 | 153.3 Ų | 153.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -79.1 | 161.1 | 148.8 | -71.1 | -179.1 | 178.8 | 175.3 | 0 | 107.1 | | |
| 21 | P | 47.3 | Very low | 49.1 | Very low | 124 Ų | 124 | 155.9 Ų | 155.9 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | cis | -142.6 | -177 | 11.3 | 34.8 | -11.9 | 0 | 0 | 0 | 114.6 | | |
| 22 | S | 46.5 | Very low | 49.4 | Very low | 113 Ų | 113 | 157.2 Ų | 157.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | 138.3 | 85 | 141.8 | -168.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 23 | Q | 55 | Low | 50 | Low | 193 Ų | 193 | 160.1 Ų | 160.1 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -139.8 | 123.1 | 159.1 | -118.3 | 176.6 | 1.7 | 0 | 0 | 109.7 | | |
| 24 | K | 49.9 | Very low | 50.5 | Low | 200 Ų | 200 | 162.3 Ų | 162.3 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 131.3 | -173.8 | -63.7 | 172.3 | 178.2 | 178.1 | 0 | 110.6 | P26 | K24-P26 WeakPolarHBondContact O-CD 3.45Š|
| 25 | F | 54.8 | Low | 50.9 | Low | 201 Ų | 201 | 158.4 Ų | 158.4 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 125.5 | 172.2 | -73.8 | -85.5 | 0 | 0 | 0 | 111.1 | K27 | F25-K27 PolarHBondContact O-N 3.22Š|
| 26 | P | 59.3 | Low | 51 | Low | 120 Ų | 120 | 160.4 Ų | 160.4 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 117 | 162 | 28.5 | -28.2 | 0 | 0 | 0 | 109.3 | K24 S28 | K24-P26 WeakPolarHBondContact O-CD 3.45Å; P26-S28 PolarHBondContact O-N 3.49Å; P26-S28 VanDerWaalsContact O-N 3.12Å |
| 27 | K | 45.1 | Very low | 51.1 | Low | 217 Ų | 217 | 158 Ų | 158 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | | | trans | -68.4 | 99.2 | 162.9 | -76.5 | 179.4 | 177.2 | 177.3 | 0 | 108.3 | F25 | F25-K27 PolarHBondContact O-N 3.22Š|
| 28 | S | 49.5 | Very low | 51.1 | Low | 88 Ų | 88 | 155.7 Ų | 155.7 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | | | trans | -151 | 87.4 | 165.1 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | P26 S30 | P26-S28 PolarHBondContact O-N 3.49Å; P26-S28 VanDerWaalsContact O-N 3.12Å; S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact O-N 2.69Å; S28-S30 VanDerWaalsContact O-N 3.15Å; S28-S30 PolarHBondContact OG-OG 3.26Å |
| 29 | R | 49.6 | Very low | 51.3 | Low | 265 Ų | 265 | 152.9 Ų | 152.9 | 100% | 1 | 77% | 0.765 | S | S | * | * | | | trans | -79.1 | 86.7 | 165 | -100.2 | -177.8 | 166.7 | -177.6 | -3.7 | 107.7 | | |
| 30 | S | 53.7 | Low | 51.4 | Low | 64 Ų | 64 | 149.4 Ų | 149.4 | 45% | 0.448 | 75% | 0.746 | S | S | . | * | | | trans | -112.5 | 132.7 | 167.2 | 47.3 | 0 | 0 | 0 | 0 | 109.2 | S28 Y32 | S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact O-N 2.69Å; S28-S30 VanDerWaalsContact O-N 3.15Å; S28-S30 PolarHBondContact OG-OG 3.26Å; S30-Y32 PolarHBondContact O-N 3.16Å; S30-Y32 VanDerWaalsContact O-N 3.1Å |
| 31 | N | 43.6 | Very low | 51.8 | Low | 168 Ų | 168 | 145.3 Ų | 145.3 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | | | trans | -57.1 | 104.6 | -179.6 | -66 | -42.4 | 0 | 0 | 0 | 111.5 | | |
| 32 | Y | 51.9 | Low | 53 | Low | 205 Ų | 205 | 144.4 Ų | 144.4 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | | | trans | -119.6 | 88 | 168.5 | -79.3 | -81.8 | 0 | 0 | 0 | 110.8 | S30 | S30-Y32 PolarHBondContact O-N 3.16Å; S30-Y32 VanDerWaalsContact O-N 3.1Å |
| 33 | R | 50.1 | Low | 54.7 | Low | 212 Ų | 212 | 144.5 Ų | 144.5 | 80% | 0.8 | 71% | 0.705 | S | S | * | * | | | trans | 19.3 | 109 | 137.4 | -128.6 | 172.8 | -176.5 | -176.9 | 0.6 | 116.4 | G35 | R33-G35 PolarHBondContact O-N 3.09Š|
| 34 | L | 50.8 | Low | 55.9 | Low | 192 Ų | 192 | 141.1 Ų | 141.1 | 100% | 1.005 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -63 | 94.6 | 156.4 | -78.9 | 153.9 | 0 | 0 | 0 | 108.7 | | |
| 35 | G | 50 | Low | 57.4 | Low | 39 Ų | 39 | 136.6 Ų | 136.6 | 40% | 0.402 | 67% | 0.672 | S | S | . | * | | | trans | -167 | 136.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R33 | R33-G35 PolarHBondContact O-N 3.09Š|
| 36 | Y | 49.3 | Very low | 58.8 | Low | 170 Ų | 170 | 132.2 Ų | 132.2 | 67% | 0.667 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 93.9 | 0.9 | 164.8 | -47.5 | -71.3 | 0 | 0 | 0 | 120.8 | I39 | Y36-I39 HydrophobicContact CD1-CD1 4.41Š|
| 37 | T | 55.2 | Low | 60 | Low | 113 Ų | 113 | 130.8 Ų | 130.8 | 69% | 0.693 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -86.2 | -36.3 | 175.4 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | S40 | T37-S40 PolarHBondContact O-N 3.31Å; T37-S40 PolarHBondContact O-OG 3.4Å |
| 38 | T | 54 | Low | 61.8 | Low | 105 Ų | 105 | 124 Ų | 124 | 64% | 0.644 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -72.2 | -43 | -179.3 | 46.9 | 0 | 0 | 0 | 0 | 113.4 | S40 L41 | T38-S40 PolarHBondContact O-N 3.33Å; T38-L41 PolarHBondContact O-N 3.48Å |
| 39 | I | 56.4 | Low | 63.6 | Low | 107 Ų | 107 | 125.3 Ų | 125.3 | 55% | 0.549 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -58 | -27.1 | 177.4 | -58.6 | 166.8 | 0 | 0 | 0 | 111.1 | Y36 L41 Y43 | Y36-I39 HydrophobicContact CD1-CD1 4.41Å; I39-L41 PolarHBondContact O-N 3.38Å; I39-Y43 WeakPolarHBondContact O-CD1 3.39Å |
| 40 | S | 56.9 | Low | 65.5 | Low | 41 Ų | 41 | 117.8 Ų | 117.8 | 29% | 0.287 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74.3 | -23.2 | -174.8 | 80.4 | 0 | 0 | 0 | 0 | 115.2 | T37 T38 Y43 K44 | T37-S40 PolarHBondContact O-N 3.31Å; T37-S40 PolarHBondContact O-OG 3.4Å; T38-S40 PolarHBondContact O-N 3.33Å; S40-Y43 WeakPolarHBondContact O-CD1 3.48Å; S40-Y43 WeakPolarHBondContact O-CE1 3.46Å; S40-K44 WeakPolarHBondContact O-CG 3.2Å |
| 41 | L | 59.5 | Low | 67 | Low | 114 Ų | 114 | 119.1 Ų | 119.1 | 60% | 0.597 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -83.6 | -38.7 | 178.1 | -104.2 | 147.1 | 0 | 0 | 0 | 111.2 | T38 I39 Y43 K44 L45 | T38-L41 PolarHBondContact O-N 3.48Å; I39-L41 PolarHBondContact O-N 3.38Å; L41-Y43 PolarHBondContact O-N 3.21Å; L41-K44 PolarHBondContact O-N 3.49Å; L41-L45 PolarHBondContact O-N 3.35Å |
| 42 | D | 72.4 | Confident | 69.1 | Low | 105 Ų | 105 | 117.5 Ų | 117.5 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.8 | -40.4 | -178.3 | -68.6 | -24.2 | 0 | 0 | 0 | 112.7 | K44 L45 L46 | D42-K44 PolarHBondContact O-N 2.85Å; D42-L45 PolarHBondContact O-N 2.99Å; D42-L46 WeakPolarHBondContact O-CG 3.22Å; D42-L46 PolarHBondContact O-N 3.38Å; D42-L46 VanDerWaalsContact O-N 3.14Å |
| 43 | Y | 81.3 | Confident | 70.7 | Confident | 115 Ų | 115 | 116 Ų | 116 | 45% | 0.451 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.9 | -31.6 | 178.9 | 82.9 | -106.7 | 0 | 0 | 0 | 112.7 | I39 S40 L41 L45 L46 I47 | I39-Y43 WeakPolarHBondContact O-CD1 3.39Å; S40-Y43 WeakPolarHBondContact O-CD1 3.48Å; S40-Y43 WeakPolarHBondContact O-CE1 3.46Å; L41-Y43 PolarHBondContact O-N 3.21Å; Y43-L45 VanDerWaalsContact C-N 3.34Å; Y43-L46 PolarHBondContact O-N 2.75Å; Y43-I47 HydrophobicContact CD2-CD1 3.79Å; Y43-I47 HydrophobicContact CE2-CD1 4.25Å; Y43-I47 WeakPolarHBondContact O-CG1 3.45Å; Y43-I47 PolarHBondContact O-N 3.38Å |
| 44 | K | 80.4 | Confident | 72.4 | Confident | 123 Ų | 123 | 112.2 Ų | 112.2 | 54% | 0.535 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.4 | -39.6 | 177.9 | -74.2 | 178.7 | -179.2 | 177.9 | 0 | 111.3 | S40 L41 D42 S48 | S40-K44 WeakPolarHBondContact O-CG 3.2Å; L41-K44 PolarHBondContact O-N 3.49Å; D42-K44 PolarHBondContact O-N 2.85Å; K44-S48 WeakPolarHBondContact O-CB 3.37Å; K44-S48 PolarHBondContact O-N 2.97Å |
| 45 | L | 82.2 | Confident | 74 | Confident | 105 Ų | 105 | 110.3 Ų | 110.3 | 55% | 0.55 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.4 | -43.9 | 174.3 | -71.1 | 169.3 | 0 | 0 | 0 | 111.3 | L41 D42 Y43 I47 S48 L49 | L41-L45 PolarHBondContact O-N 3.35Å; D42-L45 PolarHBondContact O-N 2.99Å; Y43-L45 VanDerWaalsContact C-N 3.34Å; L45-I47 PolarHBondContact O-N 3.12Å; L45-S48 WeakPolarHBondContact O-CB 3.49Å; L45-S48 PolarHBondContact O-N 3.21Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.46Å |
| 46 | L | 84.5 | Confident | 75.7 | Confident | 108 Ų | 108 | 115 Ų | 115 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.2 | -45.8 | 176 | -75 | 167.3 | 0 | 0 | 0 | 112.3 | D42 Y43 S48 L49 L50 | D42-L46 WeakPolarHBondContact O-CG 3.22Å; D42-L46 PolarHBondContact O-N 3.38Å; D42-L46 VanDerWaalsContact O-N 3.14Å; Y43-L46 PolarHBondContact O-N 2.75Å; L46-S48 VanDerWaalsContact C-N 3.33Å; L46-S48 PolarHBondContact O-N 3.07Å; L46-L49 PolarHBondContact O-N 3.45Å; L46-L50 WeakPolarHBondContact O-CG 3.38Å; L46-L50 PolarHBondContact O-N 3.23Å |
| 47 | I | 83.5 | Confident | 77.4 | Confident | 91 Ų | 91 | 111.9 Ų | 111.9 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62 | -42 | 176.2 | -67.7 | 171.9 | 0 | 0 | 0 | 110.9 | Y43 L45 L50 N51 | Y43-I47 HydrophobicContact CD2-CD1 3.79Å; Y43-I47 HydrophobicContact CE2-CD1 4.25Å; Y43-I47 WeakPolarHBondContact O-CG1 3.45Å; Y43-I47 PolarHBondContact O-N 3.38Å; L45-I47 PolarHBondContact O-N 3.12Å; I47-L50 PolarHBondContact O-N 3.43Å; I47-N51 PolarHBondContact O-N 3.03Å; I47-N51 PolarHBondContact O-ND2 3.45Å |
| 48 | S | 83.7 | Confident | 78.7 | Confident | 74 Ų | 74 | 114 Ų | 114 | 52% | 0.517 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 176.7 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | K44 L45 L46 L50 N51 F52 | K44-S48 WeakPolarHBondContact O-CB 3.37Å; K44-S48 PolarHBondContact O-N 2.97Å; L45-S48 WeakPolarHBondContact O-CB 3.49Å; L45-S48 PolarHBondContact O-N 3.21Å; L46-S48 VanDerWaalsContact C-N 3.33Å; L46-S48 PolarHBondContact O-N 3.07Å; S48-L50 PolarHBondContact O-N 3.5Å; S48-N51 PolarHBondContact O-N 3.35Å; S48-F52 WeakPolarHBondContact O-CB 3.39Å; S48-F52 PolarHBondContact O-N 2.9Å |
| 49 | L | 87.7 | Confident | 80 | Confident | 115 Ų | 115 | 112.3 Ų | 112.3 | 60% | 0.602 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.6 | -40.4 | 177.4 | -72.3 | 170 | 0 | 0 | 0 | 112.5 | L45 L46 F52 R53 | L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.46Å; L46-L49 PolarHBondContact O-N 3.45Å; L49-F52 PolarHBondContact O-N 3.34Å; L49-R53 PolarHBondContact O-N 3.17Å |
| 50 | L | 88.7 | Confident | 81.2 | Confident | 107 Ų | 107 | 111.7 Ų | 111.7 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.8 | -41 | 175.9 | -72.3 | 173.7 | 0 | 0 | 0 | 112.1 | L46 I47 S48 R53 K54 | L46-L50 WeakPolarHBondContact O-CG 3.38Å; L46-L50 PolarHBondContact O-N 3.23Å; I47-L50 PolarHBondContact O-N 3.43Å; S48-L50 PolarHBondContact O-N 3.5Å; L50-R53 PolarHBondContact O-N 3.1Å; L50-K54 PolarHBondContact O-N 3.46Å; L50-K54 VanDerWaalsContact O-N 3.11Å |
| 51 | N | 86 | Confident | 82 | Confident | 93 Ų | 93 | 114.8 Ų | 114.8 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 175.6 | -76.7 | -24 | 0 | 0 | 0 | 111.8 | I47 S48 R53 K54 Y55 | I47-N51 PolarHBondContact O-N 3.03Å; I47-N51 PolarHBondContact O-ND2 3.45Å; S48-N51 PolarHBondContact O-N 3.35Å; N51-R53 VanDerWaalsContact C-N 3.34Å; N51-R53 PolarHBondContact O-N 3.43Å; N51-K54 PolarHBondContact O-N 2.88Å; N51-Y55 WeakPolarHBondContact O-CB 3.47Å; N51-Y55 PolarHBondContact O-N 2.99Å |
| 52 | F | 86 | Confident | 83 | Confident | 133 Ų | 133 | 112.9 Ų | 112.9 | 58% | 0.583 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.5 | -43.7 | 174.2 | -176.4 | -99.2 | 0 | 0 | 0 | 111.7 | S48 L49 K54 Y55 Y56 | S48-F52 WeakPolarHBondContact O-CB 3.39Å; S48-F52 PolarHBondContact O-N 2.9Å; L49-F52 PolarHBondContact O-N 3.34Å; F52-K54 PolarHBondContact O-N 2.96Å; F52-Y55 PolarHBondContact O-N 3.21Å; F52-Y56 WeakPolarHBondContact O-CB 3.41Å; F52-Y56 PolarHBondContact O-N 3.24Å |
| 53 | R | 85.8 | Confident | 83.2 | Confident | 173 Ų | 173 | 112.5 Ų | 112.5 | 65% | 0.653 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 176.1 | -173 | 174.4 | 178.8 | 168.4 | 0.5 | 112.5 | L49 L50 N51 Y55 Y56 Q57 | L49-R53 PolarHBondContact O-N 3.17Å; L50-R53 PolarHBondContact O-N 3.1Å; N51-R53 VanDerWaalsContact C-N 3.34Å; N51-R53 PolarHBondContact O-N 3.43Å; R53-Y55 VanDerWaalsContact C-N 3.35Å; R53-Y56 PolarHBondContact O-N 3.42Å; R53-Q57 WeakPolarHBondContact O-CG 3.4Å; R53-Q57 PolarHBondContact O-N 3.17Å; R53-Q57 VanDerWaalsContact O-N 3.08Å |
| 54 | K | 85.7 | Confident | 82.9 | Confident | 133 Ų | 133 | 110.5 Ų | 110.5 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | 175.4 | -73.1 | -179.4 | -178.9 | 178.3 | 0 | 112 | L50 N51 F52 K58 | L50-K54 PolarHBondContact O-N 3.46Å; L50-K54 VanDerWaalsContact O-N 3.11Å; N51-K54 PolarHBondContact O-N 2.88Å; F52-K54 PolarHBondContact O-N 2.96Å; K54-K58 PolarHBondContact O-N 3.42Å |
| 55 | Y | 85.7 | Confident | 82.4 | Confident | 152 Ų | 152 | 109.4 Ų | 109.4 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -46 | 176.8 | -178.3 | -96 | 0 | 0 | 0 | 111.5 | N51 F52 R53 Q57 K58 L59 | N51-Y55 WeakPolarHBondContact O-CB 3.47Å; N51-Y55 PolarHBondContact O-N 2.99Å; F52-Y55 PolarHBondContact O-N 3.21Å; R53-Y55 VanDerWaalsContact C-N 3.35Å; Y55-Q57 VanDerWaalsContact C-N 3.33Å; Y55-Q57 PolarHBondContact O-N 3.08Å; Y55-K58 PolarHBondContact O-N 2.86Å; Y55-L59 HydrophobicContact CE1-CD1 4.17Å; Y55-L59 PolarHBondContact O-N 3.35Å |
| 56 | Y | 84.6 | Confident | 81.7 | Confident | 137 Ų | 137 | 108.1 Ų | 108.1 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 179.2 | -166.3 | -94 | 0 | 0 | 0 | 112.5 | F52 R53 L59 H60 | F52-Y56 WeakPolarHBondContact O-CB 3.41Å; F52-Y56 PolarHBondContact O-N 3.24Å; R53-Y56 PolarHBondContact O-N 3.42Å; Y56-L59 PolarHBondContact O-N 2.95Å; Y56-H60 WeakPolarHBondContact O-CB 3.44Å; Y56-H60 PolarHBondContact O-N 2.99Å |
| 57 | Q | 85.7 | Confident | 80.5 | Confident | 106 Ų | 106 | 106.4 Ų | 106.4 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.3 | -74.6 | 176.2 | -25.2 | 0 | 0 | 112.6 | R53 Y55 L59 H60 L61 | R53-Q57 WeakPolarHBondContact O-CG 3.4Å; R53-Q57 PolarHBondContact O-N 3.17Å; R53-Q57 VanDerWaalsContact O-N 3.08Å; Y55-Q57 VanDerWaalsContact C-N 3.33Å; Y55-Q57 PolarHBondContact O-N 3.08Å; Q57-L59 VanDerWaalsContact C-N 3.34Å; Q57-H60 PolarHBondContact O-N 3.39Å; Q57-L61 WeakPolarHBondContact O-CG 3.47Å; Q57-L61 PolarHBondContact O-N 3.46Å; Q57-L61 VanDerWaalsContact O-N 3.12Å |
| 58 | K | 81.3 | Confident | 79.4 | Confident | 157 Ų | 157 | 106.5 Ų | 106.5 | 68% | 0.683 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.7 | -39.7 | 175.7 | -71.5 | -177.8 | 178.3 | -173.9 | 0 | 111.8 | K54 Y55 L61 C62 | K54-K58 PolarHBondContact O-N 3.42Å; Y55-K58 PolarHBondContact O-N 2.86Å; K58-L61 PolarHBondContact O-N 3.36Å; K58-C62 WeakPolarHBondContact O-CB 3.36Å; K58-C62 PolarHBondContact O-N 2.93Å |
| 59 | L | 81.3 | Confident | 78.3 | Confident | 70 Ų | 70 | 109 Ų | 109 | 37% | 0.366 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.6 | -168.3 | 110.7 | 0 | 0 | 0 | 111.4 | Y55 Y56 Q57 L61 C62 I63 | Y55-L59 HydrophobicContact CE1-CD1 4.17Å; Y55-L59 PolarHBondContact O-N 3.35Å; Y56-L59 PolarHBondContact O-N 2.95Å; Q57-L59 VanDerWaalsContact C-N 3.34Å; L59-L61 PolarHBondContact O-N 3.11Å; L59-C62 WeakPolarHBondContact O-CB 3.33Å; L59-C62 PolarHBondContact O-N 3.28Å; L59-I63 HydrophobicContact CD2-CD1 3.87Å; L59-I63 HydrophobicContact CG-CD1 4.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.39Å |
| 60 | H | 81.8 | Confident | 76.8 | Confident | 93 Ų | 93 | 114.4 Ų | 114.4 | 43% | 0.431 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.3 | -42.1 | 177.4 | -169.9 | -87.4 | 0 | 0 | 0 | 112.2 | Y56 Q57 I63 I64 | Y56-H60 WeakPolarHBondContact O-CB 3.44Å; Y56-H60 PolarHBondContact O-N 2.99Å; Q57-H60 PolarHBondContact O-N 3.39Å; H60-I63 PolarHBondContact O-N 3.4Å; H60-I64 WeakPolarHBondContact ND1-CD1 3.45Å; H60-I64 WeakPolarHBondContact O-CG1 3.44Å; H60-I64 PolarHBondContact O-N 3.46Å; H60-I64 VanDerWaalsContact O-N 3.1Å |
| 61 | L | 75.1 | Confident | 74.8 | Confident | 107 Ų | 107 | 110.9 Ų | 110.9 | 56% | 0.56 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.6 | -36.6 | 174.2 | -73.1 | 167.3 | 0 | 0 | 0 | 112.5 | Q57 K58 L59 I64 N65 | Q57-L61 WeakPolarHBondContact O-CG 3.47Å; Q57-L61 PolarHBondContact O-N 3.46Å; Q57-L61 VanDerWaalsContact O-N 3.12Å; K58-L61 PolarHBondContact O-N 3.36Å; L59-L61 PolarHBondContact O-N 3.11Å; L61-I64 PolarHBondContact O-N 3.47Å; L61-N65 WeakPolarHBondContact O-CB 3.2Å; L61-N65 PolarHBondContact O-N 3.27Å |
| 62 | C | 79.3 | Confident | 73.1 | Confident | 73 Ų | 73 | 113.6 Ų | 113.6 | 49% | 0.493 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -45.6 | 175.3 | -173 | 0 | 0 | 0 | 0 | 111.6 | K58 L59 I64 N65 V66 | K58-C62 WeakPolarHBondContact O-CB 3.36Å; K58-C62 PolarHBondContact O-N 2.93Å; L59-C62 WeakPolarHBondContact O-CB 3.33Å; L59-C62 PolarHBondContact O-N 3.28Å; C62-I64 VanDerWaalsContact C-N 3.35Å; C62-I64 PolarHBondContact O-N 3.46Å; C62-N65 PolarHBondContact O-N 3.03Å; C62-V66 WeakPolarHBondContact O-CG2 3.35Å; C62-V66 PolarHBondContact O-N 2.91Å |
| 63 | I | 76.2 | Confident | 71.5 | Confident | 97 Ų | 97 | 113.7 Ų | 113.7 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.6 | -45.7 | 177.8 | -66.8 | 165.6 | 0 | 0 | 0 | 110.3 | L59 H60 N65 V66 S67 | L59-I63 HydrophobicContact CD2-CD1 3.87Å; L59-I63 HydrophobicContact CG-CD1 4.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.39Å; H60-I63 PolarHBondContact O-N 3.4Å; I63-N65 PolarHBondContact O-N 3.25Å; I63-V66 PolarHBondContact O-N 2.89Å; I63-S67 WeakPolarHBondContact O-CB 3.37Å; I63-S67 PolarHBondContact O-N 3Å; I63-S67 PolarHBondContact O-OG 3.33Å; I63-S67 VanDerWaalsContact O-OG 3.07Å |
| 64 | I | 76.5 | Confident | 69.7 | Low | 74 Ų | 74 | 111.6 Ų | 111.6 | 38% | 0.379 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.1 | -47.1 | 175.5 | -67.7 | 167.3 | 0 | 0 | 0 | 110.8 | H60 L61 C62 V66 S67 V68 | H60-I64 WeakPolarHBondContact ND1-CD1 3.45Å; H60-I64 WeakPolarHBondContact O-CG1 3.44Å; H60-I64 PolarHBondContact O-N 3.46Å; H60-I64 VanDerWaalsContact O-N 3.1Å; L61-I64 PolarHBondContact O-N 3.47Å; C62-I64 VanDerWaalsContact C-N 3.35Å; C62-I64 PolarHBondContact O-N 3.46Å; I64-V66 PolarHBondContact O-N 3.38Å; I64-S67 WeakPolarHBondContact O-CB 3.35Å; I64-S67 PolarHBondContact O-N 2.9Å; I64-V68 HydrophobicContact CG2-CG2 4.18Å; I64-V68 WeakPolarHBondContact O-CB 3.44Å; I64-V68 WeakPolarHBondContact O-CG2 3.43Å; I64-V68 PolarHBondContact O-N 2.96Å |
| 65 | N | 69.9 | Low | 68.2 | Low | 100 Ų | 100 | 109.3 Ų | 109.3 | 54% | 0.535 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.2 | -40 | -179.6 | -76.4 | -9.6 | 0 | 0 | 0 | 112.4 | L61 C62 I63 V68 V69 | L61-N65 WeakPolarHBondContact O-CB 3.2Å; L61-N65 PolarHBondContact O-N 3.27Å; C62-N65 PolarHBondContact O-N 3.03Å; I63-N65 PolarHBondContact O-N 3.25Å; N65-V68 PolarHBondContact O-N 3.47Å; N65-V69 VanDerWaalsContact O-CG2 3.22Å; N65-V69 WeakPolarHBondContact O-CG2 3.39Å; N65-V69 PolarHBondContact O-N 3.46Å |
| 66 | V | 66.6 | Low | 66.6 | Low | 77 Ų | 77 | 106.6 Ų | 106.6 | 47% | 0.467 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.5 | -40.1 | 175.7 | 174 | 0 | 0 | 0 | 0 | 111.1 | C62 I63 I64 V68 V69 R70 | C62-V66 WeakPolarHBondContact O-CG2 3.35Å; C62-V66 PolarHBondContact O-N 2.91Å; I63-V66 PolarHBondContact O-N 2.89Å; I64-V66 PolarHBondContact O-N 3.38Å; V66-V68 VanDerWaalsContact C-N 3.33Å; V66-V68 PolarHBondContact O-N 3.46Å; V66-V69 PolarHBondContact O-N 3.34Å; V66-R70 PolarHBondContact O-N 3.5Å |
| 67 | S | 60.4 | Low | 65.1 | Low | 72 Ų | 72 | 103.6 Ų | 103.6 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.2 | -39.1 | 174 | -68 | 0 | 0 | 0 | 0 | 112.2 | I63 I64 | I63-S67 WeakPolarHBondContact O-CB 3.37Å; I63-S67 PolarHBondContact O-N 3Å; I63-S67 PolarHBondContact O-OG 3.33Å; I63-S67 VanDerWaalsContact O-OG 3.07Å; I64-S67 WeakPolarHBondContact O-CB 3.35Å; I64-S67 PolarHBondContact O-N 2.9Å |
| 68 | V | 58.5 | Low | 63.7 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 57% | 0.57 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70 | -34 | 177.8 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | I64 N65 V66 | I64-V68 HydrophobicContact CG2-CG2 4.18Å; I64-V68 WeakPolarHBondContact O-CB 3.44Å; I64-V68 WeakPolarHBondContact O-CG2 3.43Å; I64-V68 PolarHBondContact O-N 2.96Å; N65-V68 PolarHBondContact O-N 3.47Å; V66-V68 VanDerWaalsContact C-N 3.33Å; V66-V68 PolarHBondContact O-N 3.46Å |
| 69 | V | 61.1 | Low | 62.1 | Low | 126 Ų | 126 | 102.5 Ų | 102.5 | 76% | 0.764 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -79.2 | -26.8 | -178.7 | 173 | 0 | 0 | 0 | 0 | 113 | N65 V66 | N65-V69 VanDerWaalsContact O-CG2 3.22Å; N65-V69 WeakPolarHBondContact O-CG2 3.39Å; N65-V69 PolarHBondContact O-N 3.46Å; V66-V69 PolarHBondContact O-N 3.34Å |
| 70 | R | 55.9 | Low | 60.7 | Low | 229 Ų | 229 | 103.2 Ų | 103.2 | 86% | 0.864 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -94.6 | -6.2 | -176.1 | -88.1 | -171.8 | 172 | -174.9 | -1.4 | 116.4 | V66 | V66-R70 PolarHBondContact O-N 3.5Å |
| 71 | G | 46.9 | Very low | 59.2 | Low | 32 Ų | 32 | 104.3 Ų | 104.3 | 33% | 0.33 | 59% | 0.585 | S | S | . | * | | | trans | -160.8 | 117.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 72 | N | 51.4 | Low | 57.9 | Low | 150 Ų | 150 | 110.1 Ų | 110.1 | 80% | 0.802 | 60% | 0.599 | S | S | * | * | | | | 10.1 | 98.6 | 80.8 | -163.6 | 22.2 | 0 | 0 | 0 | 111.5 | | |
| 73 | L | 52.7 | Low | 56.7 | Low | 136 Ų | 136 | 115.6 Ų | 115.6 | 71% | 0.712 | 62% | 0.615 | S | S | * | * | | | trans | -177.7 | 138.5 | 136.1 | -88.8 | 144.6 | 0 | 0 | 0 | 106 | D75 | L73-D75 PolarHBondContact O-N 3.14Š|
| 74 | V | 47.7 | Very low | 55.3 | Low | 128 Ų | 128 | 113.6 Ų | 113.6 | 78% | 0.776 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 17.8 | -170.3 | 165.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 75 | D | 53.1 | Low | 53.7 | Low | 86 Ų | 86 | 114.2 Ų | 114.2 | 46% | 0.46 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.8 | -19.1 | -161.4 | -97.1 | -18.3 | 0 | 0 | 0 | 116.7 | L73 A77 Q78 L79 | L73-D75 PolarHBondContact O-N 3.14Å; D75-A77 VanDerWaalsContact C-N 3.29Å; D75-A77 PolarHBondContact O-N 3.2Å; D75-Q78 PolarHBondContact O-N 3.04Å; D75-Q78 VanDerWaalsContact O-N 3.09Å; D75-Q78 PolarHBondContact OD1-OE1 3.06Å; D75-L79 PolarHBondContact O-N 3.46Å |
| 76 | V | 53.1 | Low | 52.4 | Low | 95 Ų | 95 | 117.3 Ų | 117.3 | 58% | 0.576 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.2 | -27.9 | -177.6 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | Q78 L79 C80 | V76-Q78 VanDerWaalsContact C-N 3.33Å; V76-L79 PolarHBondContact O-N 3.43Å; V76-C80 PolarHBondContact O-N 3.36Å |
| 77 | A | 53.3 | Low | 51.2 | Low | 73 Ų | 73 | 121 Ų | 121 | 60% | 0.603 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.8 | -32.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D75 | D75-A77 VanDerWaalsContact C-N 3.29Å; D75-A77 PolarHBondContact O-N 3.2Å |
| 78 | Q | 55.1 | Low | 50.5 | Low | 118 Ų | 118 | 123.9 Ų | 123.9 | 55% | 0.551 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.3 | -32.6 | 174.5 | -63.9 | -169.1 | -10.4 | 0 | 0 | 111.8 | D75 V76 N81 W82 | D75-Q78 PolarHBondContact O-N 3.04Å; D75-Q78 VanDerWaalsContact O-N 3.09Å; D75-Q78 PolarHBondContact OD1-OE1 3.06Å; V76-Q78 VanDerWaalsContact C-N 3.33Å; Q78-N81 PolarHBondContact O-N 3.47Å; Q78-W82 PolarHBondContact O-N 3.23Å |
| 79 | L | 48.9 | Very low | 49.8 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 64% | 0.639 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.1 | -32 | 179 | -134.5 | 89 | 0 | 0 | 0 | 113.7 | D75 V76 N81 W82 | D75-L79 PolarHBondContact O-N 3.46Å; V76-L79 PolarHBondContact O-N 3.43Å; L79-N81 VanDerWaalsContact C-N 3.35Å; L79-W82 PolarHBondContact O-N 2.99Å |
| 80 | C | 51.2 | Low | 49.5 | Very low | 86 Ų | 86 | 126 Ų | 126 | 58% | 0.581 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -70.7 | -30.6 | 172.7 | -84.9 | 0 | 0 | 0 | 0 | 112.7 | V76 W82 K83 | V76-C80 PolarHBondContact O-N 3.36Å; C80-W82 PolarHBondContact O-N 2.76Å; C80-K83 PolarHBondContact O-N 3.1Å |
| 81 | N | 50.6 | Low | 49 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 62% | 0.62 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.8 | -12.2 | 175 | -76.8 | -7.5 | 0 | 0 | 0 | 113.6 | Q78 L79 S84 | Q78-N81 PolarHBondContact O-N 3.47Å; L79-N81 VanDerWaalsContact C-N 3.35Å; N81-S84 VanDerWaalsContact O-O 3.13Å |
| 82 | W | 48.3 | Very low | 49.1 | Very low | 228 Ų | 228 | 121 Ų | 121 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -85.9 | -22 | 172.4 | -93.5 | 20.2 | 0 | 0 | 0 | 114.1 | Q78 L79 C80 | Q78-W82 PolarHBondContact O-N 3.23Å; L79-W82 PolarHBondContact O-N 2.99Å; C80-W82 PolarHBondContact O-N 2.76Å |
| 83 | K | 53.1 | Low | 49 | Very low | 189 Ų | 189 | 123.6 Ų | 123.6 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -85.7 | -15.6 | 178.4 | -81.6 | -165.1 | 176.2 | -176.7 | 0 | 114 | C80 | C80-K83 PolarHBondContact O-N 3.1Å |
| 84 | S | 46 | Very low | 48.9 | Very low | 55 Ų | 55 | 121.4 Ų | 121.4 | 39% | 0.385 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -103 | 103.2 | 166.4 | 47.7 | 0 | 0 | 0 | 0 | 106.5 | N81 Q86 | N81-S84 VanDerWaalsContact O-O 3.13Å; S84-Q86 PolarHBondContact O-N 3.37Å |
| 85 | G | 44.5 | Very low | 49 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 90% | 0.897 | 69% | 0.685 | S | S | * | * | | | trans | -67.1 | 51.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 86 | Q | 41.9 | Very low | 48.8 | Very low | 165 Ų | 165 | 127.3 Ų | 127.3 | 77% | 0.771 | 70% | 0.703 | S | S | * | * | | | trans | -116.1 | 106.9 | -174 | -146 | 169 | 10.8 | 0 | 0 | 107.7 | S84 V88 | S84-Q86 PolarHBondContact O-N 3.37Å; Q86-V88 PolarHBondContact O-N 3.15Å |
| 87 | L | 41.4 | Very low | 48.9 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | | | trans | -28.6 | 126.3 | 173.8 | -79.1 | 85.8 | 0 | 0 | 0 | 114 | | |
| 88 | V | 46.1 | Very low | 49.4 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | | | trans | -136.7 | 99.2 | 131.6 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | Q86 T90 | Q86-V88 PolarHBondContact O-N 3.15Å; V88-T90 PolarHBondContact O-N 3.12Å |
| 89 | D | 43 | Very low | 49.5 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | | | trans | -50.2 | 111.8 | 162.7 | -139.9 | -11.8 | 0 | 0 | 0 | 109.5 | | |
| 90 | T | 55.8 | Low | 49.6 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | | | trans | -177.7 | 78.7 | 157.9 | 27 | 0 | 0 | 0 | 0 | 111.6 | V88 S92 | V88-T90 PolarHBondContact O-N 3.12Å; T90-S92 PolarHBondContact O-N 3.39Å |
| 91 | G | 45.9 | Very low | 49.9 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | | | | 56.7 | 19.9 | 122.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 92 | S | 48.5 | Very low | 50.4 | Low | 84 Ų | 84 | 137.5 Ų | 137.5 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | | | trans | -128.6 | 102.5 | 178.3 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | T90 | T90-S92 PolarHBondContact O-N 3.39Š|
| 93 | K | 48.4 | Very low | 51.2 | Low | 205 Ų | 205 | 133.9 Ų | 133.9 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | | | trans | -86.1 | 114 | 166 | -76.4 | -176.6 | 179.6 | 176.7 | 0 | 108.9 | Q95 | K93-Q95 PolarHBondContact O-N 3.11Š|
| 94 | V | 51.4 | Low | 50.7 | Low | 91 Ų | 91 | 135.7 Ų | 135.7 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | | | trans | -87.3 | 106.2 | 170 | -178 | 0 | 0 | 0 | 0 | 108.1 | V99 | V94-V99 HydrophobicContact CG2-CG2 4.3Š|
| 95 | Q | 48.6 | Very low | 51 | Low | 159 Ų | 159 | 139.7 Ų | 139.7 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | B | Isolated β-bridge | trans | -108.5 | 120.8 | 169.3 | -120.8 | -179.4 | -3.5 | 0 | 0 | 108.3 | K93 | K93-Q95 PolarHBondContact O-N 3.11Å |
| 96 | H | 50.2 | Low | 51.3 | Low | 179 Ų | 179 | 142.5 Ų | 142.5 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.6 | 46.9 | 167.1 | -63.8 | 47.4 | 0 | 0 | 0 | 116.4 | K98 | H96-K98 VanDerWaalsContact C-N 3.26Å; H96-K98 PolarHBondContact O-N 3.18Å; H96-K98 VanDerWaalsContact O-N 3.16Å |
| 97 | G | 54.8 | Low | 51.8 | Low | 77 Ų | 77 | 141.2 Ų | 141.2 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.9 | 12.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 98 | K | 64.8 | Low | 52.4 | Low | 166 Ų | 166 | 140.5 Ų | 140.5 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | B | Isolated β-bridge | trans | -122.2 | 120.6 | 166.7 | -73.9 | -176.9 | 178.4 | 178.5 | 0 | 109.5 | H96 Q100 | H96-K98 VanDerWaalsContact C-N 3.26Å; H96-K98 PolarHBondContact O-N 3.18Å; H96-K98 VanDerWaalsContact O-N 3.16Å; K98-Q100 PolarHBondContact O-N 3.08Å |
| 99 | V | 56.4 | Low | 52.8 | Low | 106 Ų | 106 | 141 Ų | 141 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | | | trans | -75.7 | 102.8 | 169.4 | 178.8 | 0 | 0 | 0 | 0 | 107.5 | V94 R101 | V94-V99 HydrophobicContact CG2-CG2 4.3Å; V99-R101 HydrophobicContact CG1-CG 4.47Å |
| 100 | Q | 51.1 | Low | 53.5 | Low | 169 Ų | 169 | 140.5 Ų | 140.5 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | -84.3 | 114.5 | 165.1 | -80.3 | -178.3 | -13.2 | 0 | 0 | 108.4 | K98 | K98-Q100 PolarHBondContact O-N 3.08Š|
| 101 | R | 57.7 | Low | 53.3 | Low | 211 Ų | 211 | 142.2 Ų | 142.2 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | trans | -83.4 | 109.4 | 163.7 | -69.4 | -178.5 | 176.5 | 174.7 | -1.3 | 107 | V99 I103 | V99-R101 HydrophobicContact CG1-CG 4.47Å; R101-I103 PolarHBondContact O-N 3.38Å |
| 102 | S | 60 | Low | 53.9 | Low | 95 Ų | 95 | 147.7 Ų | 147.7 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | trans | -72.5 | 112.6 | 161.5 | 50.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 103 | I | 65 | Low | 54.3 | Low | 151 Ų | 151 | 153 Ų | 153 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | | | trans | -95.9 | 117 | 165.9 | -62.8 | 171.9 | 0 | 0 | 0 | 105 | R101 | R101-I103 PolarHBondContact O-N 3.38Š|
| 104 | N | 43.8 | Very low | 54.9 | Low | 227 Ų | 227 | 148.3 Ų | 148.3 | 100% | 1.214 | 78% | 0.775 | S | S | * | * | | | trans | 78.3 | 0 | -169.3 | -71.8 | -9.9 | 0 | 0 | 0 | 116.9 | | |