| 1 | M | 42 | Very low | 46.2 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | | | | 0 | 122.2 | 0 | -76 | 178.4 | -87.1 | 0 | 0 | 107.3 | Q3 T77 N78 | M1-Q3 PolarHBondContact O-N 2.86Å; M1-T77 HydrophobicContact CB-CG2 3.73Å; M1-T77 PolarHBondContact SD-OG1 3.47Å; M1-T77 WeakPolarHBondContact SD-CG2 3.48Å; M1-T77 HydrophobicContact SD-CG2 3.13Å; M1-T77 WeakPolarHBondContact SD-CA 3.13Å; M1-T77 WeakPolarHBondContact SD-CB 3.32Å; M1-T77 HydrophobicContact CE-CG2 3.28Å; M1-T77 HydrophobicContact CG-CG2 3.97Å; M1-N78 HydrophobicContact CE-CB 4.03Å; M1-N78 WeakPolarHBondContact CE-O 3.2Å |
| 2 | F | 49.4 | Very low | 45.8 | Very low | 212 Ų | 212 | 149.6 Ų | 149.6 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | | | trans | -80.1 | 114 | -164.8 | -77.8 | -89 | 0 | 0 | 0 | 110.5 | | |
| 3 | Q | 46.3 | Very low | 45.8 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | | | trans | -76.6 | 119.4 | 160.6 | -72 | -178.8 | 71.7 | 0 | 0 | 107.7 | M1 H5 | M1-Q3 PolarHBondContact O-N 2.86Å; Q3-H5 PolarHBondContact O-N 2.89Å |
| 4 | N | 46.1 | Very low | 45.6 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | trans | -69.5 | 96.7 | 170.4 | -102.2 | -36.3 | 0 | 0 | 0 | 108.9 | | |
| 5 | H | 53.3 | Low | 45.1 | Very low | 143 Ų | 143 | 151.5 Ų | 151.5 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | | | trans | -92.3 | 90 | 162.2 | -65.7 | -70.8 | 0 | 0 | 0 | 108.4 | Q3 T7 | Q3-H5 PolarHBondContact O-N 2.89Å; H5-T7 VanDerWaalsContact C-N 3.32Å; H5-T7 PolarHBondContact O-N 3.24Å |
| 6 | T | 47.1 | Very low | 44.6 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -72.6 | 93.8 | 165.7 | -50.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 7 | T | 47.5 | Very low | 44.6 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | | | trans | -144.7 | 98.5 | 169.6 | -47.3 | 0 | 0 | 0 | 0 | 109.1 | H5 | H5-T7 VanDerWaalsContact C-N 3.32Å; H5-T7 PolarHBondContact O-N 3.24Å |
| 8 | T | 50.7 | Low | 44.3 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -160.4 | 90 | 148.8 | -17.6 | 0 | 0 | 0 | 0 | 105.3 | | |
| 9 | Q | 44.6 | Very low | 44.4 | Very low | 180 Ų | 180 | 152.5 Ų | 152.5 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | | | | 36.8 | 124 | 86.4 | -90.4 | -171.5 | -10.7 | 0 | 0 | 112.7 | | |
| 10 | G | 41.4 | Very low | 44.1 | Very low | 76 Ų | 76 | 150.1 Ų | 150.1 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | 130.2 | 79.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 11 | C | 39.7 | Very low | 44 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 86% | 0.858 | 79% | 0.791 | S | S | * | * | | | trans | -58.4 | 146 | 144.3 | -54.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 12 | R | 41.2 | Very low | 44.3 | Very low | 225 Ų | 225 | 152.8 Ų | 152.8 | 85% | 0.849 | 79% | 0.791 | S | S | * | * | | | trans | 89.3 | 109.1 | 176.3 | -66.3 | 176.6 | 156.6 | 172.1 | -5.4 | 116.3 | | |
| 13 | N | 45.9 | Very low | 44 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -140.8 | 87.9 | 135.5 | -143.2 | 4.3 | 0 | 0 | 0 | 106.6 | | |
| 14 | Q | 44 | Very low | 44.1 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | | | | 52.4 | 96.3 | 100.6 | -61.3 | -143.1 | 3.7 | 0 | 0 | 113.1 | S16 | Q14-S16 PolarHBondContact O-N 3.41Š|
| 15 | N | 36.8 | Very low | 44.4 | Very low | 172 Ų | 172 | 148 Ų | 148 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | | | trans | -46.8 | 108.2 | 158.8 | -169.3 | 3 | 0 | 0 | 0 | 110.2 | | |
| 16 | S | 38 | Very low | 44.3 | Very low | 94 Ų | 94 | 150.7 Ų | 150.7 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | | | trans | -161.4 | 141.5 | 162.9 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | Q14 | Q14-S16 PolarHBondContact O-N 3.41Š|
| 17 | S | 44.4 | Very low | 44.6 | Very low | 95 Ų | 95 | 151.6 Ų | 151.6 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | | | trans | 92.8 | 70 | 162.5 | -50.5 | 0 | 0 | 0 | 0 | 116.2 | Y19 | S17-Y19 VanDerWaalsContact O-N 3.09Å; S17-Y19 PolarHBondContact O-N 3.21Å |
| 18 | Q | 39.2 | Very low | 44.9 | Very low | 199 Ų | 199 | 153.1 Ų | 153.1 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | | | | 14.4 | 86.3 | 123 | -68.9 | -177.6 | -31 | 0 | 0 | 115.3 | | |
| 19 | Y | 45.5 | Very low | 44.9 | Very low | 236 Ų | 236 | 151 Ų | 151 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | | | trans | -101.2 | 97.8 | 158.6 | -111.3 | -92 | 0 | 0 | 0 | 108.3 | S17 | S17-Y19 VanDerWaalsContact O-N 3.09Å; S17-Y19 PolarHBondContact O-N 3.21Å |
| 20 | S | 39.2 | Very low | 45.2 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -91.2 | 117.4 | 169.2 | -174.9 | 0 | 0 | 0 | 0 | 108 | | |
| 21 | Q | 42 | Very low | 45.9 | Very low | 156 Ų | 156 | 152.9 Ų | 152.9 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | | | trans | 173.3 | 130.5 | 133.8 | -100.4 | -178.3 | 44.2 | 0 | 0 | 113.7 | | |
| 22 | R | 47.4 | Very low | 46.8 | Very low | 196 Ų | 196 | 154 Ų | 154 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | trans | 84.3 | 95.1 | 142.3 | -67.8 | 170.7 | 177.2 | -100.8 | -2.2 | 119.1 | | |
| 23 | Q | 43.8 | Very low | 47.6 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | | 55.7 | 97.9 | 123 | -71.5 | 177.7 | -19.8 | 0 | 0 | 117.9 | | |
| 24 | S | 48.1 | Very low | 48.6 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | | -160.2 | 109.8 | 124.6 | -167.5 | 0 | 0 | 0 | 0 | 108.2 | R26 | S24-R26 PolarHBondContact O-N 3.09Š|
| 25 | T | 52 | Low | 49.6 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | trans | -72.2 | 77.1 | 168 | 48.9 | 0 | 0 | 0 | 0 | 107.9 | D27 | T25-D27 PolarHBondContact O-N 3.18Š|
| 26 | R | 52.2 | Low | 51 | Low | 200 Ų | 200 | 147.2 Ų | 147.2 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | -80.4 | 109.3 | 165.8 | -162.9 | 179.3 | -67.5 | 174.8 | -0.7 | 105.9 | S24 I28 | S24-R26 PolarHBondContact O-N 3.09Å; R26-I28 VanDerWaalsContact C-N 3.29Å; R26-I28 HydrophobicContact CB-CG1 4.44Å; R26-I28 HydrophobicContact CG-CG1 4.35Å; R26-I28 PolarHBondContact O-N 2.96Å |
| 27 | D | 52.5 | Low | 52.2 | Low | 156 Ų | 156 | 150.3 Ų | 150.3 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | trans | -58.3 | 92.1 | 167.8 | -85.7 | -54.7 | 0 | 0 | 0 | 109.1 | T25 S29 | T25-D27 PolarHBondContact O-N 3.18Å; D27-S29 PolarHBondContact O-N 3.44Å |
| 28 | I | 53.9 | Low | 53.2 | Low | 132 Ų | 132 | 151.7 Ų | 151.7 | 68% | 0.677 | 77% | 0.774 | S | S | * | * | | | trans | -90.9 | 64.9 | 169.4 | -49.8 | 173 | 0 | 0 | 0 | 106.8 | R26 | R26-I28 VanDerWaalsContact C-N 3.29Å; R26-I28 HydrophobicContact CB-CG1 4.44Å; R26-I28 HydrophobicContact CG-CG1 4.35Å; R26-I28 PolarHBondContact O-N 2.96Å |
| 29 | S | 52.1 | Low | 54.8 | Low | 94 Ų | 94 | 149.2 Ų | 149.2 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | | | trans | -82.4 | 128.8 | 158.5 | 98.3 | 0 | 0 | 0 | 0 | 106.5 | D27 | D27-S29 PolarHBondContact O-N 3.44Š|
| 30 | K | 51.1 | Low | 56.3 | Low | 185 Ų | 185 | 145.8 Ų | 145.8 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | 105.5 | 70.5 | -172.2 | -58.9 | 167.8 | -174.4 | -174.8 | 0 | 112.8 | D32 | K30-D32 PolarHBondContact O-N 3.42Š|
| 31 | S | 54.5 | Low | 57.4 | Low | 110 Ų | 110 | 147.6 Ų | 147.6 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -78 | 104.9 | 150.6 | -48.6 | 0 | 0 | 0 | 0 | 106.5 | S33 | S31-S33 PolarHBondContact O-N 3.03Š|
| 32 | D | 58.7 | Low | 58.8 | Low | 150 Ų | 150 | 145.7 Ų | 145.7 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | | | trans | -54.9 | 121.8 | 164.5 | -79.4 | -39.6 | 0 | 0 | 0 | 107.4 | K30 V34 | K30-D32 PolarHBondContact O-N 3.42Å; D32-V34 PolarHBondContact O-N 3.09Å |
| 33 | S | 59.4 | Low | 60 | Low | 104 Ų | 104 | 142.9 Ų | 142.9 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -61.8 | 108.5 | 177.1 | 57.9 | 0 | 0 | 0 | 0 | 108 | S31 T35 | S31-S33 PolarHBondContact O-N 3.03Å; S33-T35 VanDerWaalsContact C-N 3.32Å; S33-T35 PolarHBondContact O-N 2.9Å |
| 34 | V | 65.7 | Low | 61.1 | Low | 128 Ų | 128 | 142.2 Ų | 142.2 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -67.2 | 97 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | D32 R36 | D32-V34 PolarHBondContact O-N 3.09Å; V34-R36 PolarHBondContact O-N 3.11Å |
| 35 | T | 64.6 | Low | 61.7 | Low | 100 Ų | 100 | 141 Ų | 141 | 61% | 0.613 | 76% | 0.758 | S | S | * | * | | | trans | -64.6 | 105.8 | 171.7 | -29.7 | 0 | 0 | 0 | 0 | 107.2 | S33 H37 | S33-T35 VanDerWaalsContact C-N 3.32Å; S33-T35 PolarHBondContact O-N 2.9Å; T35-H37 PolarHBondContact O-N 3.1Å; T35-H37 VanDerWaalsContact O-N 3.09Å |
| 36 | R | 67.7 | Low | 62.2 | Low | 229 Ų | 229 | 139.9 Ų | 139.9 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | | | trans | -71.4 | 103.5 | 170.9 | -71.6 | -175.8 | 177.7 | -126.5 | 0.9 | 107.4 | V34 T38 | V34-R36 PolarHBondContact O-N 3.11Å; R36-T38 PolarHBondContact O-N 3.48Å |
| 37 | H | 61.8 | Low | 62.6 | Low | 158 Ų | 158 | 135.2 Ų | 135.2 | 73% | 0.731 | 75% | 0.754 | S | S | * | * | | | trans | -73.6 | 118.8 | 164.4 | -67.7 | -77.5 | 0 | 0 | 0 | 108 | T35 I39 | T35-H37 PolarHBondContact O-N 3.1Å; T35-H37 VanDerWaalsContact O-N 3.09Å; H37-I39 VanDerWaalsContact O-N 3.1Å; H37-I39 PolarHBondContact O-N 3.15Å |
| 38 | T | 66.3 | Low | 62.9 | Low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | | | trans | -65.8 | 108.5 | 166.8 | -51.9 | 0 | 0 | 0 | 0 | 106.8 | R36 E40 | R36-T38 PolarHBondContact O-N 3.48Å; T38-E40 HydrophobicContact CG2-CG 4.39Å; T38-E40 PolarHBondContact O-N 3.36Å; T38-E40 VanDerWaalsContact O-N 3.11Å |
| 39 | I | 72.9 | Confident | 63.2 | Low | 148 Ų | 148 | 131.6 Ų | 131.6 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | -74.1 | 99.2 | 169.6 | -59.2 | 173.2 | 0 | 0 | 0 | 105.7 | H37 N41 | H37-I39 VanDerWaalsContact O-N 3.1Å; H37-I39 PolarHBondContact O-N 3.15Å; I39-N41 PolarHBondContact O-N 3.01Å |
| 40 | E | 76 | Confident | 63.3 | Low | 164 Ų | 164 | 133.8 Ų | 133.8 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 123.1 | 166.2 | -66.6 | -172.5 | 155 | 0 | 0 | 107.7 | T38 | T38-E40 HydrophobicContact CG2-CG 4.39Å; T38-E40 PolarHBondContact O-N 3.36Å; T38-E40 VanDerWaalsContact O-N 3.11Å |
| 41 | N | 63.4 | Low | 63.8 | Low | 143 Ų | 143 | 134 Ų | 134 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 131.2 | 170.9 | -84.6 | -43.8 | 0 | 0 | 0 | 108.1 | I39 T43 | I39-N41 PolarHBondContact O-N 3.01Å; N41-T43 PolarHBondContact O-N 3.2Å; N41-T43 VanDerWaalsContact O-N 3.15Å |
| 42 | P | 70.7 | Confident | 64.3 | Low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 124.9 | 175.5 | 23.6 | -32 | 0 | 0 | 0 | 109.3 | L44 | P42-L44 PolarHBondContact O-N 2.79Š|
| 43 | T | 73 | Confident | 64.6 | Low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 120.1 | 174.4 | -31.9 | 0 | 0 | 0 | 0 | 108.1 | N41 S45 | N41-T43 PolarHBondContact O-N 3.2Å; N41-T43 VanDerWaalsContact O-N 3.15Å; T43-S45 PolarHBondContact O-N 2.95Å |
| 44 | L | 66.1 | Low | 64.8 | Low | 163 Ų | 163 | 137.4 Ų | 137.4 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | | | trans | -61.5 | 108.2 | 175.5 | -66.6 | 173.8 | 0 | 0 | 0 | 108.3 | P42 S46 | P42-L44 PolarHBondContact O-N 2.79Å; L44-S46 PolarHBondContact O-N 2.91Å |
| 45 | S | 61.1 | Low | 64.9 | Low | 76 Ų | 76 | 136.7 Ų | 136.7 | 53% | 0.531 | 75% | 0.749 | S | S | . | * | | | trans | -60.9 | 129.4 | 172.7 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | T43 S47 A48 | T43-S45 PolarHBondContact O-N 2.95Å; S45-S47 PolarHBondContact OG-N 3.06Å; S45-S47 PolarHBondContact O-N 3.1Å; S45-S47 PolarHBondContact OG-OG 3.37Å; S45-A48 PolarHBondContact O-N 3.03Å; S45-A48 VanDerWaalsContact O-N 3.1Å |
| 46 | S | 63.2 | Low | 64.6 | Low | 121 Ų | 121 | 139.8 Ų | 139.8 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -5 | 175.9 | -42.6 | 0 | 0 | 0 | 0 | 113.4 | L44 A48 | L44-S46 PolarHBondContact O-N 2.91Å; S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 3.5Å |
| 47 | S | 60.9 | Low | 63.9 | Low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 0.4 | 172.5 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | S45 N49 | S45-S47 PolarHBondContact OG-N 3.06Å; S45-S47 PolarHBondContact O-N 3.1Å; S45-S47 PolarHBondContact OG-OG 3.37Å; S47-N49 PolarHBondContact O-N 3.24Å |
| 48 | A | 56.9 | Low | 63.6 | Low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | | | trans | -75.7 | 24.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S45 S46 Q50 | S45-A48 PolarHBondContact O-N 3.03Å; S45-A48 VanDerWaalsContact O-N 3.1Å; S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 3.5Å; A48-Q50 PolarHBondContact O-N 3.39Å |
| 49 | N | 62.1 | Low | 62.9 | Low | 121 Ų | 121 | 138 Ų | 138 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | | | trans | -86.6 | 95.6 | -179.9 | -150.6 | 26.2 | 0 | 0 | 0 | 109.6 | S47 | S47-N49 PolarHBondContact O-N 3.24Š|
| 50 | Q | 53.8 | Low | 61.7 | Low | 140 Ų | 140 | 134 Ų | 134 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | | | trans | 60.1 | 96.8 | 141.3 | -58.8 | -175.2 | 87.4 | 0 | 0 | 118.5 | A48 | A48-Q50 PolarHBondContact O-N 3.39Š|
| 51 | H | 61.3 | Low | 60.3 | Low | 190 Ų | 190 | 132 Ų | 132 | 88% | 0.88 | 76% | 0.759 | S | S | * | * | | | trans | -131.9 | 96.4 | 133.3 | -115.8 | 141.1 | 0 | 0 | 0 | 108.2 | A53 | H51-A53 PolarHBondContact O-N 3.12Å; H51-A53 VanDerWaalsContact O-N 3.12Å |
| 52 | Y | 64.6 | Low | 59.6 | Low | 206 Ų | 206 | 131 Ų | 131 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | trans | -66.7 | 106.2 | 152.9 | -73.5 | -79.7 | 0 | 0 | 0 | 105.7 | I54 | Y52-I54 PolarHBondContact O-N 2.94Š|
| 53 | A | 64.1 | Low | 58.9 | Low | 87 Ų | 87 | 130 Ų | 130 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | | | trans | -66 | 114.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | H51 P55 | H51-A53 PolarHBondContact O-N 3.12Å; H51-A53 VanDerWaalsContact O-N 3.12Å; A53-P55 WeakPolarHBondContact O-CD 3.33Å |
| 54 | I | 64.2 | Low | 58.5 | Low | 141 Ų | 141 | 128.8 Ų | 128.8 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | | | trans | -61.2 | 124.7 | 164.5 | -59 | 175.5 | 0 | 0 | 0 | 105.4 | Y52 H56 | Y52-I54 PolarHBondContact O-N 2.94Å; I54-H56 PolarHBondContact O-N 3.16Å |
| 55 | P | 67.1 | Low | 58.5 | Low | 114 Ų | 114 | 126.6 Ų | 126.6 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | | | trans | -58.7 | 115.6 | 173.9 | 22.2 | -29.8 | 0 | 0 | 0 | 107.8 | A53 S57 | A53-P55 WeakPolarHBondContact O-CD 3.33Å; P55-S57 PolarHBondContact O-N 3.26Å |
| 56 | H | 59.9 | Low | 58.8 | Low | 165 Ų | 165 | 129.9 Ų | 129.9 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | -60.1 | 109.1 | 172.7 | -79.3 | -118.9 | 0 | 0 | 0 | 107.1 | I54 H58 | I54-H56 PolarHBondContact O-N 3.16Å; H56-H58 PolarHBondContact O-N 3.17Å |
| 57 | S | 53.1 | Low | 59 | Low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -70.9 | 79.2 | 174 | 56.4 | 0 | 0 | 0 | 0 | 108.7 | P55 H59 | P55-S57 PolarHBondContact O-N 3.26Å; S57-H59 PolarHBondContact O-N 3.46Å |
| 58 | H | 54.9 | Low | 58.5 | Low | 153 Ų | 153 | 137.2 Ų | 137.2 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | | | trans | -65.5 | 128.8 | 160.1 | -77.8 | -100.9 | 0 | 0 | 0 | 107 | H56 G60 | H56-H58 PolarHBondContact O-N 3.17Å; H58-G60 PolarHBondContact O-N 2.78Å |
| 59 | H | 51.6 | Low | 58.3 | Low | 204 Ų | 204 | 138 Ų | 138 | 94% | 0.944 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -42.7 | 112.4 | 177 | -78.9 | -91.8 | 0 | 0 | 0 | 111.5 | S57 | S57-H59 PolarHBondContact O-N 3.46Š|
| 60 | G | 47.2 | Very low | 57.9 | Low | 62 Ų | 62 | 140.5 Ų | 140.5 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 97.9 | 108.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | H58 | H58-G60 PolarHBondContact O-N 2.78Š|
| 61 | C | 47.3 | Very low | 57.8 | Low | 123 Ų | 123 | 139.4 Ų | 139.4 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | trans | 66.2 | 118.2 | 166.8 | -54.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 62 | T | 48.9 | Very low | 57.5 | Low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | | -170.7 | 114.8 | 57 | -41.3 | 0 | 0 | 0 | 0 | 107.7 | C64 | T62-C64 PolarHBondContact O-N 3.3Š|
| 63 | A | 55.2 | Low | 56.5 | Low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -84.1 | 95.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | V65 | A63-V65 PolarHBondContact O-N 2.93Å; A63-V65 VanDerWaalsContact O-N 3.15Å |
| 64 | C | 64.5 | Low | 55.8 | Low | 112 Ų | 112 | 134.7 Ų | 134.7 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | | | trans | -80.4 | 87.4 | 168.9 | -72.6 | 0 | 0 | 0 | 0 | 109.1 | T62 I66 | T62-C64 PolarHBondContact O-N 3.3Å; C64-I66 PolarHBondContact O-N 2.82Å |
| 65 | V | 67.1 | Low | 55.3 | Low | 117 Ų | 117 | 136.5 Ų | 136.5 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | | | trans | -79 | 108.1 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 108 | A63 R67 | A63-V65 PolarHBondContact O-N 2.93Å; A63-V65 VanDerWaalsContact O-N 3.15Å; V65-R67 HydrophobicContact CG1-CG 4.17Å; V65-R67 PolarHBondContact O-N 2.9Å; V65-R67 VanDerWaalsContact C-N 3.34Å |
| 66 | I | 67.2 | Low | 54.5 | Low | 145 Ų | 145 | 138.7 Ų | 138.7 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | trans | -69.9 | 95.9 | 165.3 | -58.4 | 177 | 0 | 0 | 0 | 106.4 | C64 M68 | C64-I66 PolarHBondContact O-N 2.82Å; I66-M68 HydrophobicContact CG2-CG 4.25Å; I66-M68 PolarHBondContact O-N 2.81Å; I66-M68 VanDerWaalsContact O-N 3.13Å |
| 67 | R | 66.6 | Low | 54.3 | Low | 216 Ų | 216 | 134.6 Ų | 134.6 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | | | trans | -73.1 | 99.7 | 164.9 | -66.6 | -164.9 | -63.4 | -133.6 | 0.8 | 107 | V65 S69 | V65-R67 HydrophobicContact CG1-CG 4.17Å; V65-R67 PolarHBondContact O-N 2.9Å; V65-R67 VanDerWaalsContact C-N 3.34Å; R67-S69 VanDerWaalsContact C-N 3.35Å; R67-S69 PolarHBondContact O-N 3Å; R67-S69 VanDerWaalsContact O-N 3.07Å |
| 68 | M | 51.7 | Low | 53.9 | Low | 161 Ų | 161 | 135.7 Ų | 135.7 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | | | trans | -67.6 | 104.3 | 159.2 | -66.6 | -156.7 | -168.3 | 0 | 0 | 106.2 | I66 E70 | I66-M68 HydrophobicContact CG2-CG 4.25Å; I66-M68 PolarHBondContact O-N 2.81Å; I66-M68 VanDerWaalsContact O-N 3.13Å; M68-E70 PolarHBondContact O-N 3.13Å |
| 69 | S | 52.9 | Low | 53.3 | Low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -68.3 | 88.6 | 163.4 | -60 | 0 | 0 | 0 | 0 | 106.6 | R67 S71 | R67-S69 VanDerWaalsContact C-N 3.35Å; R67-S69 PolarHBondContact O-N 3Å; R67-S69 VanDerWaalsContact O-N 3.07Å; S69-S71 PolarHBondContact O-N 3.07Å |
| 70 | E | 53.6 | Low | 53.4 | Low | 173 Ų | 173 | 134.6 Ų | 134.6 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | trans | -66.2 | 88.2 | 156.8 | -75.4 | -178 | 114.6 | 0 | 0 | 105.9 | M68 S72 | M68-E70 PolarHBondContact O-N 3.13Å; E70-S72 PolarHBondContact O-N 2.98Å; E70-S72 PolarHBondContact O-OG 2.97Å |
| 71 | S | 50 | Low | 53.7 | Low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -60.3 | 95.4 | 158.9 | -102.7 | 0 | 0 | 0 | 0 | 105.9 | S69 E73 | S69-S71 PolarHBondContact O-N 3.07Å; S71-E73 PolarHBondContact O-N 3.34Å; S71-E73 VanDerWaalsContact O-N 3.16Å |
| 72 | S | 55.5 | Low | 54 | Low | 96 Ų | 96 | 139.2 Ų | 139.2 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | | | trans | -55.6 | 116.5 | 174.9 | -34.6 | 0 | 0 | 0 | 0 | 107.1 | E70 S74 | E70-S72 PolarHBondContact O-N 2.98Å; E70-S72 PolarHBondContact O-OG 2.97Å; S72-S74 PolarHBondContact O-N 3.15Å |
| 73 | E | 43.9 | Very low | 54.3 | Low | 203 Ų | 203 | 140.3 Ų | 140.3 | 95% | 0.949 | 79% | 0.791 | S | S | * | * | | | trans | -57.8 | 90.3 | 159.5 | -72.4 | -177.4 | 86.5 | 0 | 0 | 108 | S71 | S71-E73 PolarHBondContact O-N 3.34Å; S71-E73 VanDerWaalsContact O-N 3.16Å |
| 74 | S | 50.3 | Low | 54.3 | Low | 85 Ų | 85 | 143.1 Ų | 143.1 | 59% | 0.594 | 79% | 0.791 | S | S | * | * | | | trans | -113.5 | 78 | 165.2 | 54.5 | 0 | 0 | 0 | 0 | 107.8 | S72 L76 | S72-S74 PolarHBondContact O-N 3.15Å; S74-L76 PolarHBondContact O-N 2.81Å |
| 75 | H | 52.5 | Low | 53.6 | Low | 180 Ų | 180 | 145.2 Ų | 145.2 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | | | trans | -64.3 | 77.6 | 159.5 | -127 | 167.4 | 0 | 0 | 0 | 107.4 | T77 | H75-T77 VanDerWaalsContact C-N 3.32Å; H75-T77 PolarHBondContact O-N 3.32Å |
| 76 | L | 51.4 | Low | 52.7 | Low | 159 Ų | 159 | 147.2 Ų | 147.2 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -66.8 | 97.2 | 169.3 | -72.2 | 173.5 | 0 | 0 | 0 | 107.2 | S74 | S74-L76 PolarHBondContact O-N 2.81Š|
| 77 | T | 54.7 | Low | 51.5 | Low | 79 Ų | 79 | 147.4 Ų | 147.4 | 49% | 0.485 | 80% | 0.804 | S | S | . | * | | | trans | -81.6 | 113.3 | 176.1 | -70.6 | 0 | 0 | 0 | 0 | 108.4 | M1 H75 C79 | M1-T77 HydrophobicContact CB-CG2 3.73Å; M1-T77 PolarHBondContact SD-OG1 3.47Å; M1-T77 WeakPolarHBondContact SD-CG2 3.48Å; M1-T77 HydrophobicContact SD-CG2 3.13Å; M1-T77 WeakPolarHBondContact SD-CA 3.13Å; M1-T77 WeakPolarHBondContact SD-CB 3.32Å; M1-T77 HydrophobicContact CE-CG2 3.28Å; M1-T77 HydrophobicContact CG-CG2 3.97Å; H75-T77 VanDerWaalsContact C-N 3.32Å; H75-T77 PolarHBondContact O-N 3.32Å; T77-C79 PolarHBondContact O-N 3.03Å |
| 78 | N | 46 | Very low | 50.3 | Low | 141 Ų | 141 | 141.7 Ų | 141.7 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | | | trans | -48.7 | 129.3 | 168.2 | -83.4 | -11.7 | 0 | 0 | 0 | 112.3 | M1 | M1-N78 HydrophobicContact CE-CB 4.03Å; M1-N78 WeakPolarHBondContact CE-O 3.2Å |
| 79 | C | 40.9 | Very low | 50.1 | Low | 198 Ų | 198 | 139.9 Ų | 139.9 | 100% | 1.338 | 80% | 0.803 | S | S | * | * | | | trans | -124.3 | 0 | 139.6 | -78.3 | 0 | 0 | 0 | 0 | 107.3 | T77 | T77-C79 PolarHBondContact O-N 3.03Š|