| 1 | K | 45.9 | Very low | 60.5 | Low | 265 Ų | 265 | 162.3 Ų | 162.3 | 100% | 1.152 | 85% | 0.854 | S | S | * | * | | | | 0 | 95.6 | 0 | -75 | -179.6 | 173 | -169.3 | 0 | 108 | | |
| 2 | S | 58.9 | Low | 61 | Low | 118 Ų | 118 | 158.8 Ų | 158.8 | 83% | 0.825 | 85% | 0.849 | S | S | * | * | | | trans | -104 | 118.7 | 170.6 | 46.8 | 0 | 0 | 0 | 0 | 107.3 | Q4 | S2-Q4 PolarHBondContact O-N 3.36Š|
| 3 | V | 54.9 | Low | 61.1 | Low | 144 Ų | 144 | 152.8 Ų | 152.8 | 87% | 0.873 | 83% | 0.826 | S | S | * | * | | | trans | -76.2 | 116.6 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 107 | K5 | V3-K5 PolarHBondContact O-N 3.31Š|
| 4 | Q | 58 | Low | 61.2 | Low | 190 Ų | 190 | 149.6 Ų | 149.6 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | | | trans | -54 | 127.2 | 174.1 | -94.2 | 168 | -42.7 | 0 | 0 | 109.7 | S2 G6 | S2-Q4 PolarHBondContact O-N 3.36Å; Q4-G6 PolarHBondContact O-N 2.96Å |
| 5 | K | 62 | Low | 61.2 | Low | 206 Ų | 206 | 150.9 Ų | 150.9 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | | | trans | -65.1 | 96.1 | 177.6 | -156.4 | 174.2 | 179.4 | -175.2 | 0 | 107.6 | V3 E7 | V3-K5 PolarHBondContact O-N 3.31Å; K5-E7 VanDerWaalsContact C-N 3.34Å; K5-E7 PolarHBondContact O-N 2.91Å |
| 6 | G | 60.7 | Low | 61.4 | Low | 68 Ų | 68 | 148.4 Ų | 148.4 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | -68.1 | 92.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q4 L8 | Q4-G6 PolarHBondContact O-N 2.96Å; G6-L8 PolarHBondContact O-N 2.96Å |
| 7 | E | 63.5 | Low | 61.5 | Low | 190 Ų | 190 | 148.1 Ų | 148.1 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | | | trans | -72.9 | 78.9 | 164.9 | -165.8 | 168 | -163.6 | 0 | 0 | 107.3 | K5 S9 | K5-E7 VanDerWaalsContact C-N 3.34Å; K5-E7 PolarHBondContact O-N 2.91Å; E7-S9 PolarHBondContact O-N 2.85Å |
| 8 | L | 60.2 | Low | 61.7 | Low | 152 Ų | 152 | 146.4 Ų | 146.4 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | trans | -65.4 | 107 | 168 | -87.4 | 163.7 | 0 | 0 | 0 | 106.7 | G6 R10 | G6-L8 PolarHBondContact O-N 2.96Å; L8-R10 PolarHBondContact O-N 3.05Å |
| 9 | S | 64.3 | Low | 61.9 | Low | 106 Ų | 106 | 146.7 Ų | 146.7 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | -31.1 | 96.8 | 164.4 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | E7 S11 | E7-S9 PolarHBondContact O-N 2.85Å; S9-S11 PolarHBondContact O-N 3.17Å; S9-S11 VanDerWaalsContact O-N 3.17Å |
| 10 | R | 68.3 | Low | 62.2 | Low | 243 Ų | 243 | 146.8 Ų | 146.8 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | | | trans | -78.3 | 97.7 | 165.5 | -90.6 | -175 | 177.2 | 177.7 | -0.5 | 106.6 | L8 | L8-R10 PolarHBondContact O-N 3.05Š|
| 11 | S | 69.1 | Low | 62.4 | Low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 130.5 | 164.6 | 52.6 | 0 | 0 | 0 | 0 | 108.2 | S9 S13 | S9-S11 PolarHBondContact O-N 3.17Å; S9-S11 VanDerWaalsContact O-N 3.17Å; S11-S13 PolarHBondContact O-N 3.26Å |
| 12 | P | 66.6 | Low | 63.4 | Low | 121 Ų | 121 | 140.9 Ų | 140.9 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.3 | 171.6 | 25.4 | -30.4 | 0 | 0 | 0 | 107.8 | | |
| 13 | S | 62.4 | Low | 63.8 | Low | 80 Ų | 80 | 138.2 Ų | 138.2 | 56% | 0.559 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 125.7 | 173.2 | 171.5 | 0 | 0 | 0 | 0 | 108.5 | S11 F15 | S11-S13 PolarHBondContact O-N 3.26Å; S13-F15 PolarHBondContact O-N 3.05Å |
| 14 | P | 61.8 | Low | 64.3 | Low | 108 Ų | 108 | 140.4 Ų | 140.4 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -74.2 | 5.8 | -174.8 | 27.3 | -30.3 | 0 | 0 | 0 | 113.7 | | |
| 15 | F | 61.6 | Low | 64.8 | Low | 170 Ų | 170 | 143.3 Ų | 143.3 | 75% | 0.746 | 77% | 0.765 | S | S | * | * | | | trans | -129.5 | 69.3 | -179.5 | -64.5 | -76.4 | 0 | 0 | 0 | 111.6 | S13 | S13-F15 PolarHBondContact O-N 3.05Š|
| 16 | T | 63.9 | Low | 65.2 | Low | 110 Ų | 110 | 143.3 Ų | 143.3 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | trans | -111.6 | 69.2 | 153 | 61.2 | 0 | 0 | 0 | 0 | 109.1 | T18 | T16-T18 PolarHBondContact O-N 3.48Å; T16-T18 VanDerWaalsContact O-N 3.11Å |
| 17 | H | 62.8 | Low | 65.8 | Low | 143 Ų | 143 | 143.1 Ų | 143.1 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | | | trans | -80.4 | 67.8 | 159.8 | -96.6 | -82.1 | 0 | 0 | 0 | 108.6 | H19 | H17-H19 AromaticContact CE1-NE2 3.73Å; H17-H19 AromaticContact CG-NE2 3.75Å; H17-H19 AromaticContact ND1-CD2 3.71Å; H17-H19 AromaticContact ND1-CE1 3.48Å; H17-H19 PolarHBondContact ND1-CE1 3.01Å; H17-H19 AromaticContact ND1-NE2 2.87Å; H17-H19 PolarHBondContact ND1-NE2 2.87Å; H17-H19 PolarHBondContact O-N 3.11Å |
| 18 | T | 65.5 | Low | 66.3 | Low | 118 Ų | 118 | 139 Ų | 139 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | trans | -76.6 | 83.6 | 163.5 | 50.4 | 0 | 0 | 0 | 0 | 107.4 | T16 L20 | T16-T18 PolarHBondContact O-N 3.48Å; T16-T18 VanDerWaalsContact O-N 3.11Å; T18-L20 PolarHBondContact O-N 2.96Å |
| 19 | H | 66.4 | Low | 67.3 | Low | 152 Ų | 152 | 140.1 Ų | 140.1 | 70% | 0.704 | 75% | 0.754 | S | S | * | * | | | trans | -68.5 | 102.3 | 163.9 | -70.4 | -76.1 | 0 | 0 | 0 | 107.2 | H17 A21 | H17-H19 AromaticContact CE1-NE2 3.73Å; H17-H19 AromaticContact CG-NE2 3.75Å; H17-H19 AromaticContact ND1-CD2 3.71Å; H17-H19 AromaticContact ND1-CE1 3.48Å; H17-H19 PolarHBondContact ND1-CE1 3.01Å; H17-H19 AromaticContact ND1-NE2 2.87Å; H17-H19 PolarHBondContact ND1-NE2 2.87Å; H17-H19 PolarHBondContact O-N 3.11Å; H19-A21 PolarHBondContact O-N 2.76Å |
| 20 | L | 67.3 | Low | 68.1 | Low | 149 Ų | 149 | 144.4 Ų | 144.4 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | | | trans | -58.5 | 107.3 | 162.3 | -67.4 | 174.3 | 0 | 0 | 0 | 106.3 | T18 Q22 | T18-L20 PolarHBondContact O-N 2.96Å; L20-Q22 PolarHBondContact O-N 3.06Å |
| 21 | A | 65.9 | Low | 68.8 | Low | 105 Ų | 105 | 139.3 Ų | 139.3 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | | | trans | -69.3 | 71.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | H19 G23 | H19-A21 PolarHBondContact O-N 2.76Å; A21-G23 PolarHBondContact O-N 3.16Å; A21-G23 VanDerWaalsContact O-N 3.16Å |
| 22 | Q | 68.2 | Low | 69.3 | Low | 182 Ų | 182 | 142.7 Ų | 142.7 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | trans | -75.4 | 104 | 173.6 | -175.4 | 171.4 | -9.4 | 0 | 0 | 107.6 | L20 | L20-Q22 PolarHBondContact O-N 3.06Š|
| 23 | G | 67.1 | Low | 69.9 | Low | 63 Ų | 63 | 142.7 Ų | 142.7 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | | | trans | 88.9 | 97.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A21 | A21-G23 PolarHBondContact O-N 3.16Å; A21-G23 VanDerWaalsContact O-N 3.16Å |
| 24 | Y | 65.5 | Low | 70.5 | Confident | 190 Ų | 190 | 144.2 Ų | 144.2 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | | | | -161.6 | 98.1 | 105.6 | -139.3 | -97.5 | 0 | 0 | 0 | 107.6 | R26 | Y24-R26 HydrophobicContact CD1-CB 3.76Å; Y24-R26 HydrophobicContact CD1-CG 3.75Å; Y24-R26 HydrophobicContact CE1-CB 4.39Å; Y24-R26 HydrophobicContact CE1-CG 3.94Å; Y24-R26 PolarHBondContact O-N 2.81Å |
| 25 | R | 67.9 | Low | 71.3 | Confident | 251 Ų | 251 | 147.6 Ų | 147.6 | 95% | 0.947 | 77% | 0.774 | S | S | * | * | | | trans | -70.1 | 79.7 | 160.1 | -73.1 | -97.4 | -69.1 | -149.2 | -1.1 | 105.7 | G27 | R25-G27 PolarHBondContact O-N 3.29Š|
| 26 | R | 69.6 | Low | 71.9 | Confident | 206 Ų | 206 | 147.8 Ų | 147.8 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | trans | -67.6 | 93.5 | 172.2 | -145.4 | 176.3 | -64.1 | -151.5 | 2.9 | 104.7 | Y24 A28 | Y24-R26 HydrophobicContact CD1-CB 3.76Å; Y24-R26 HydrophobicContact CD1-CG 3.75Å; Y24-R26 HydrophobicContact CE1-CB 4.39Å; Y24-R26 HydrophobicContact CE1-CG 3.94Å; Y24-R26 PolarHBondContact O-N 2.81Å; R26-A28 PolarHBondContact O-N 2.88Å |
| 27 | G | 74.4 | Confident | 72.5 | Confident | 64 Ų | 64 | 150 Ų | 150 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | | | trans | -51.6 | 132.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | R25 K29 | R25-G27 PolarHBondContact O-N 3.29Å; G27-K29 PolarHBondContact O-N 3.42Å |
| 28 | A | 74.7 | Confident | 73.1 | Confident | 104 Ų | 104 | 150.9 Ų | 150.9 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -60.3 | 107.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | R26 K30 | R26-A28 PolarHBondContact O-N 2.88Å; A28-K30 PolarHBondContact O-N 2.93Å |
| 29 | K | 79.8 | Confident | 73.3 | Confident | 174 Ų | 174 | 149 Ų | 149 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 124.9 | 170.3 | 54.1 | 175.3 | -178.2 | 170.1 | 0 | 107.1 | G27 L31 | G27-K29 PolarHBondContact O-N 3.42Å; K29-L31 PolarHBondContact O-N 3.25Å |
| 30 | K | 82 | Confident | 73.5 | Confident | 196 Ų | 196 | 146 Ų | 146 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63 | 123.2 | 169.1 | -69.8 | -161.6 | 173.7 | -165.2 | 0 | 106.6 | A28 | A28-K30 PolarHBondContact O-N 2.93Š|
| 31 | L | 81.5 | Confident | 73.5 | Confident | 136 Ų | 136 | 147.2 Ų | 147.2 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76 | 135.1 | 171.2 | -61 | 175.8 | 0 | 0 | 0 | 107.1 | K29 S33 | K29-L31 PolarHBondContact O-N 3.25Å; L31-S33 PolarHBondContact O-N 3.4Å |
| 32 | E | 81.1 | Confident | 73.7 | Confident | 174 Ų | 174 | 149.9 Ų | 149.9 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 128.3 | 169 | -64.5 | 77.9 | -159.2 | 0 | 0 | 108.7 | S34 | E32-S34 PolarHBondContact O-N 3.34Š|
| 33 | S | 78.1 | Confident | 74.2 | Confident | 121 Ų | 121 | 148.5 Ų | 148.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 126.8 | 173.8 | -57.3 | 0 | 0 | 0 | 0 | 109 | L31 | L31-S33 PolarHBondContact O-N 3.4Š|
| 34 | S | 74.9 | Confident | 74.9 | Confident | 112 Ų | 112 | 154.9 Ų | 154.9 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 134.2 | 167.5 | 51.3 | 0 | 0 | 0 | 0 | 109.4 | E32 E36 | E32-S34 PolarHBondContact O-N 3.34Å; S34-E36 PolarHBondContact O-N 3.42Å |
| 35 | E | 79.3 | Confident | 75.9 | Confident | 180 Ų | 180 | 152.7 Ų | 152.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 129.3 | 167.9 | -172.1 | 128.7 | 145.1 | 0 | 0 | 109.2 | N37 | E35-N37 PolarHBondContact O-N 3.49Š|
| 36 | E | 74.1 | Confident | 76.7 | Confident | 173 Ų | 173 | 145.1 Ų | 145.1 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 123.4 | 170.5 | 54.4 | -164.8 | 135.4 | 0 | 0 | 108.9 | S34 L38 | S34-E36 PolarHBondContact O-N 3.42Å; E36-L38 PolarHBondContact O-N 2.67Å |
| 37 | N | 77.6 | Confident | 77.4 | Confident | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 129.2 | 171.9 | -77.8 | -88.9 | 0 | 0 | 0 | 107.4 | E35 S39 | E35-N37 PolarHBondContact O-N 3.49Å; N37-S39 PolarHBondContact O-N 3.11Å; N37-S39 VanDerWaalsContact O-N 3.11Å |
| 38 | L | 73.8 | Confident | 78.1 | Confident | 162 Ų | 162 | 142 Ų | 142 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 121.5 | 176.2 | -55.1 | -176.9 | 0 | 0 | 0 | 108.7 | E36 S40 | E36-L38 PolarHBondContact O-N 2.67Å; L38-S40 PolarHBondContact O-N 3.37Å |
| 39 | S | 69.9 | Low | 78.7 | Confident | 78 Ų | 78 | 143.8 Ų | 143.8 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 135.5 | -176.7 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | N37 E41 | N37-S39 PolarHBondContact O-N 3.11Å; N37-S39 VanDerWaalsContact O-N 3.11Å; S39-E41 WeakPolarHBondContact CB-OE2 2.94Å; S39-E41 PolarHBondContact O-N 3.49Å; S39-E41 WeakPolarHBondContact OG-CG 3.4Å; S39-E41 PolarHBondContact OG-OE2 3.21Å |
| 40 | S | 71.5 | Confident | 79.1 | Confident | 90 Ų | 90 | 141.4 Ų | 141.4 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | | | trans | -72.8 | 37.8 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | L38 D42 E43 | L38-S40 PolarHBondContact O-N 3.37Å; S40-D42 PolarHBondContact O-N 3.01Å; S40-E43 PolarHBondContact O-N 2.96Å; S40-E43 VanDerWaalsContact O-N 3.12Å |
| 41 | E | 66.3 | Low | 79.2 | Confident | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -13.8 | -175.4 | -93.8 | 156.9 | 88.2 | 0 | 0 | 114.2 | S39 | S39-E41 WeakPolarHBondContact CB-OE2 2.94Å; S39-E41 PolarHBondContact O-N 3.49Å; S39-E41 WeakPolarHBondContact OG-CG 3.4Å; S39-E41 PolarHBondContact OG-OE2 3.21Å |
| 42 | D | 71.6 | Confident | 79.4 | Confident | 162 Ų | 162 | 136.6 Ų | 136.6 | 87% | 0.866 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 8.8 | -179.2 | -143.8 | -0.8 | 0 | 0 | 0 | 113.5 | S40 E44 | S40-D42 PolarHBondContact O-N 3.01Å; D42-E44 PolarHBondContact O-N 3.12Å |
| 43 | E | 78.6 | Confident | 79.6 | Confident | 152 Ų | 152 | 136.3 Ų | 136.3 | 71% | 0.71 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -80.9 | 118.4 | 169.8 | -67.7 | -148 | 172.4 | 0 | 0 | 110.9 | S40 L45 | S40-E43 PolarHBondContact O-N 2.96Å; S40-E43 VanDerWaalsContact O-N 3.12Å; E43-L45 PolarHBondContact O-N 3.12Å; E43-L45 VanDerWaalsContact O-N 3.12Å |
| 44 | E | 81.9 | Confident | 79.7 | Confident | 197 Ų | 197 | 132.1 Ų | 132.1 | 92% | 0.921 | 69% | 0.691 | S | S | * | * | | | trans | -65.3 | 111.8 | 176.3 | -173.7 | 172.9 | 175.8 | 0 | 0 | 110.3 | D42 | D42-E44 PolarHBondContact O-N 3.12Š|
| 45 | L | 84.8 | Confident | 79.9 | Confident | 144 Ų | 144 | 135.4 Ų | 135.4 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 147 | 178.2 | -65.9 | 179.2 | 0 | 0 | 0 | 111.1 | E43 C47 | E43-L45 PolarHBondContact O-N 3.12Å; E43-L45 VanDerWaalsContact O-N 3.12Å; L45-C47 PolarHBondContact O-N 3.02Å |
| 46 | P | 85.6 | Confident | 79.3 | Confident | 92 Ų | 92 | 132.1 Ų | 132.1 | 60% | 0.597 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 130.2 | 175.8 | 25.4 | -34 | 0 | 0 | 0 | 110.1 | H50 | P46-H50 HydrophobicContact CB-CB 3.99Š|
| 47 | C | 84.3 | Confident | 78.8 | Confident | 55 Ų | 55 | 129.9 Ų | 129.9 | 37% | 0.372 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 155.7 | 175.1 | 85.8 | 0 | 0 | 0 | 0 | 111.2 | L45 Q49 H50 L51 | L45-C47 PolarHBondContact O-N 3.02Å; C47-Q49 PolarHBondContact O-N 2.84Å; C47-H50 PolarHBondContact N-ND1 2.82Å; C47-H50 WeakPolarHBondContact O-CA 3.39Å; C47-H50 WeakPolarHBondContact O-CB 3.36Å; C47-H50 PolarHBondContact O-N 2.98Å; C47-H50 PolarHBondContact SG-CE1 3.45Å; C47-H50 PolarHBondContact SG-ND1 3.36Å; C47-L51 PolarHBondContact O-N 3.24Å |
| 48 | F | 88.2 | Confident | 77.8 | Confident | 149 Ų | 149 | 128.6 Ų | 128.6 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -57.9 | -27.3 | -175 | -155.7 | -104.8 | 0 | 0 | 0 | 113.1 | L51 L52 | F48-L51 HydrophobicContact CD2-CD2 4.44Å; F48-L51 HydrophobicContact CE2-CD2 4.31Å; F48-L51 PolarHBondContact O-N 3.5Å; F48-L52 HydrophobicContact CD1-CD1 3.56Å; F48-L52 HydrophobicContact CD1-CG 3.83Å; F48-L52 HydrophobicContact CE1-CD1 3.62Å; F48-L52 HydrophobicContact CE1-CD2 3.97Å; F48-L52 HydrophobicContact CE1-CG 3.79Å; F48-L52 WeakPolarHBondContact O-CG 3.41Å; F48-L52 PolarHBondContact O-N 3.29Å |
| 49 | Q | 89.3 | Confident | 77 | Confident | 143 Ų | 143 | 128 Ų | 128 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.2 | -37.5 | 174.2 | -56.7 | 171.1 | 4.1 | 0 | 0 | 111.6 | C47 L51 L52 F53 | C47-Q49 PolarHBondContact O-N 2.84Å; Q49-L51 VanDerWaalsContact C-N 3.26Å; Q49-L51 PolarHBondContact O-N 2.82Å; Q49-L52 PolarHBondContact O-N 3.48Å; Q49-F53 WeakPolarHBondContact O-CA 2.86Å; Q49-F53 WeakPolarHBondContact O-CB 3.36Å; Q49-F53 PolarHBondContact O-N 3.03Å |
| 50 | H | 86.4 | Confident | 76 | Confident | 124 Ų | 124 | 129.7 Ų | 129.7 | 57% | 0.574 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.8 | -22.8 | 172.9 | -61.9 | 119.2 | 0 | 0 | 0 | 112.7 | P46 C47 G54 | P46-H50 HydrophobicContact CB-CB 3.99Å; C47-H50 PolarHBondContact N-ND1 2.82Å; C47-H50 WeakPolarHBondContact O-CA 3.39Å; C47-H50 WeakPolarHBondContact O-CB 3.36Å; C47-H50 PolarHBondContact O-N 2.98Å; C47-H50 PolarHBondContact SG-CE1 3.45Å; C47-H50 PolarHBondContact SG-ND1 3.36Å; H50-G54 WeakPolarHBondContact O-CA 3.42Å; H50-G54 PolarHBondContact O-N 3.49Å |
| 51 | L | 85.6 | Confident | 75.2 | Confident | 125 Ų | 125 | 130.9 Ų | 130.9 | 65% | 0.654 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -78.7 | -45.9 | 173 | -176.5 | 59.5 | 0 | 0 | 0 | 111.4 | C47 F48 Q49 | C47-L51 PolarHBondContact O-N 3.24Å; F48-L51 HydrophobicContact CD2-CD2 4.44Å; F48-L51 HydrophobicContact CE2-CD2 4.31Å; F48-L51 PolarHBondContact O-N 3.5Å; Q49-L51 VanDerWaalsContact C-N 3.26Å; Q49-L51 PolarHBondContact O-N 2.82Å |
| 52 | L | 85.3 | Confident | 74.5 | Confident | 106 Ų | 106 | 130.9 Ų | 130.9 | 56% | 0.555 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72.1 | -41 | -179.2 | -69 | 178 | 0 | 0 | 0 | 113.1 | F48 Q49 | F48-L52 HydrophobicContact CD1-CD1 3.56Å; F48-L52 HydrophobicContact CD1-CG 3.83Å; F48-L52 HydrophobicContact CE1-CD1 3.62Å; F48-L52 HydrophobicContact CE1-CD2 3.97Å; F48-L52 HydrophobicContact CE1-CG 3.79Å; F48-L52 WeakPolarHBondContact O-CG 3.41Å; F48-L52 PolarHBondContact O-N 3.29Å; Q49-L52 PolarHBondContact O-N 3.48Å |
| 53 | F | 84.8 | Confident | 73.7 | Confident | 168 Ų | 168 | 128.6 Ų | 128.6 | 74% | 0.737 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -119.6 | 18.4 | -173.4 | -51.7 | -67.8 | 0 | 0 | 0 | 111.8 | Q49 K55 | Q49-F53 WeakPolarHBondContact O-CA 2.86Å; Q49-F53 WeakPolarHBondContact O-CB 3.36Å; Q49-F53 PolarHBondContact O-N 3.03Å; F53-K55 PolarHBondContact O-N 3.26Å |
| 54 | G | 80.9 | Confident | 72.7 | Confident | 33 Ų | 33 | 125.7 Ų | 125.7 | 34% | 0.34 | 67% | 0.672 | S | S | . | * | | | trans | -49.9 | 135.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | H50 V56 | H50-G54 WeakPolarHBondContact O-CA 3.42Å; H50-G54 PolarHBondContact O-N 3.49Å; G54-V56 PolarHBondContact O-N 3.49Å |
| 55 | K | 77.6 | Confident | 71.3 | Confident | 181 Ų | 181 | 125.9 Ų | 125.9 | 79% | 0.787 | 67% | 0.665 | S | S | * | * | | | trans | -61.2 | 105.4 | -172.4 | -165 | 167.8 | 179.3 | 169.1 | 0 | 110 | F53 N57 | F53-K55 PolarHBondContact O-N 3.26Å; K55-N57 VanDerWaalsContact C-N 3.32Å; K55-N57 PolarHBondContact O-N 2.91Å |
| 56 | V | 67.6 | Low | 69.2 | Low | 111 Ų | 111 | 127.3 Ų | 127.3 | 67% | 0.673 | 67% | 0.667 | S | S | * | * | | | trans | -73.4 | 94.2 | 167.2 | -172.2 | 0 | 0 | 0 | 0 | 106.5 | G54 N58 | G54-V56 PolarHBondContact O-N 3.49Å; V56-N58 WeakPolarHBondContact CG1-ND2 3.43Å; V56-N58 PolarHBondContact O-N 2.79Å |
| 57 | N | 62.6 | Low | 67.9 | Low | 126 Ų | 126 | 128.3 Ų | 128.3 | 67% | 0.674 | 68% | 0.677 | S | S | * | * | | | trans | -69.7 | 76.4 | 164.9 | -67.2 | -32.7 | 0 | 0 | 0 | 107.2 | K55 I59 | K55-N57 VanDerWaalsContact C-N 3.32Å; K55-N57 PolarHBondContact O-N 2.91Å; N57-I59 PolarHBondContact O-N 3.4Å |
| 58 | N | 57.8 | Low | 66.1 | Low | 129 Ų | 129 | 131.8 Ų | 131.8 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | | | trans | -56.7 | 114.3 | 157.7 | -65.5 | -70.6 | 0 | 0 | 0 | 104.4 | V56 P60 | V56-N58 WeakPolarHBondContact CG1-ND2 3.43Å; V56-N58 PolarHBondContact O-N 2.79Å; N58-P60 VanDerWaalsContact O-N 3.15Å |
| 59 | I | 56.2 | Low | 63.9 | Low | 150 Ų | 150 | 130.4 Ų | 130.4 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | | | trans | -41.1 | 128.2 | 165.7 | -55.3 | 161.5 | 0 | 0 | 0 | 105.5 | N57 S61 | N57-I59 PolarHBondContact O-N 3.4Å; I59-S61 VanDerWaalsContact C-N 3.35Å; I59-S61 PolarHBondContact O-N 2.99Å |
| 60 | P | 50.4 | Low | 62.2 | Low | 114 Ų | 114 | 128.1 Ų | 128.1 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | | | trans | -54.2 | 105.4 | -179.1 | -22.3 | 30.6 | 0 | 0 | 0 | 107.5 | N58 Q62 | N58-P60 VanDerWaalsContact O-N 3.15Å; P60-Q62 VanDerWaalsContact C-N 3.3Å; P60-Q62 PolarHBondContact O-N 3.34Å |
| 61 | S | 54.1 | Low | 60.3 | Low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | trans | -57.8 | 111.7 | 159.6 | -71.7 | 0 | 0 | 0 | 0 | 102.6 | I59 S63 | I59-S61 VanDerWaalsContact C-N 3.35Å; I59-S61 PolarHBondContact O-N 2.99Å; S61-S63 PolarHBondContact O-N 3.48Å |
| 62 | Q | 50.9 | Low | 58.7 | Low | 173 Ų | 173 | 130.1 Ų | 130.1 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | | | trans | -59.9 | 80.6 | -161 | -160.7 | -176.8 | 41 | 0 | 0 | 110.1 | P60 T64 | P60-Q62 VanDerWaalsContact C-N 3.3Å; P60-Q62 PolarHBondContact O-N 3.34Å; Q62-T64 PolarHBondContact O-N 3.43Å |
| 63 | S | 54 | Low | 57.1 | Low | 114 Ų | 114 | 130.7 Ų | 130.7 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | | | trans | -76.1 | 77.1 | 166.5 | -174.2 | 0 | 0 | 0 | 0 | 106 | S61 R65 | S61-S63 PolarHBondContact O-N 3.48Å; S63-R65 PolarHBondContact O-N 2.72Å |
| 64 | T | 59.5 | Low | 55.7 | Low | 90 Ų | 90 | 129.3 Ų | 129.3 | 55% | 0.552 | 73% | 0.731 | S | S | * | * | | | trans | -50.2 | 133.8 | 167.9 | -64.6 | 0 | 0 | 0 | 0 | 108.3 | Q62 | Q62-T64 PolarHBondContact O-N 3.43Š|
| 65 | R | 51.3 | Low | 54.2 | Low | 201 Ų | 201 | 132 Ų | 132 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | | | trans | 89.2 | 110.2 | 172.8 | -52 | -174.5 | -178.4 | 155.1 | 2.1 | 113.3 | S63 | S63-R65 PolarHBondContact O-N 2.72Š|
| 66 | H | 40.6 | Very low | 53.1 | Low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | | | cis | -152.1 | 135.4 | 22.5 | -70.7 | -84.9 | 0 | 0 | 0 | 109.9 | | |
| 67 | S | 57.7 | Low | 52.2 | Low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | -65.1 | 132.3 | 159.8 | 169.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 68 | T | 46.6 | Very low | 51.7 | Low | 127 Ų | 127 | 135.7 Ų | 135.7 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | | -177.2 | 140 | 126.2 | -40 | 0 | 0 | 0 | 0 | 110.9 | | |
| 69 | V | 42.5 | Very low | 51.1 | Low | 120 Ų | 120 | 132.2 Ų | 132.2 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | 85.3 | 107.4 | 159.9 | -160.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 70 | A | 54 | Low | 51 | Low | 95 Ų | 95 | 133.6 Ų | 133.6 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | trans | -60.3 | 129.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 71 | T | 46.2 | Very low | 51.4 | Low | 121 Ų | 121 | 137.4 Ų | 137.4 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | -152.3 | 119.3 | 150.4 | -0 | 0 | 0 | 0 | 0 | 108.3 | C73 | T71-C73 PolarHBondContact O-N 3.03Å; T71-C73 VanDerWaalsContact O-N 3.13Å |
| 72 | E | 51.4 | Low | 51.7 | Low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | trans | -62 | 101.9 | 171 | 177.9 | -173.4 | -176.7 | 0 | 0 | 109.2 | L74 | E72-L74 PolarHBondContact O-N 2.88Š|
| 73 | C | 51.8 | Low | 52.3 | Low | 119 Ų | 119 | 137.3 Ų | 137.3 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | -94.5 | 86.2 | 167.9 | -76.6 | 0 | 0 | 0 | 0 | 109 | T71 S75 | T71-C73 PolarHBondContact O-N 3.03Å; T71-C73 VanDerWaalsContact O-N 3.13Å; C73-S75 PolarHBondContact O-N 3.37Å |
| 74 | L | 55.5 | Low | 52.7 | Low | 139 Ų | 139 | 139.2 Ų | 139.2 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | | | trans | -66.6 | 82.8 | 164.4 | -150.1 | 160.3 | 0 | 0 | 0 | 107.7 | E72 K76 | E72-L74 PolarHBondContact O-N 2.88Å; L74-K76 PolarHBondContact O-N 2.83Å; L74-K76 VanDerWaalsContact O-N 3.12Å |
| 75 | S | 51.1 | Low | 52.3 | Low | 89 Ų | 89 | 142.8 Ų | 142.8 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | | | trans | -75.7 | 101.2 | 173.8 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | C73 N77 | C73-S75 PolarHBondContact O-N 3.37Å; S75-N77 PolarHBondContact O-N 3.06Å; S75-N77 PolarHBondContact O-OD1 2.92Å; S75-N77 PolarHBondContact OG-OD1 2.63Å |
| 76 | K | 54 | Low | 52.4 | Low | 160 Ų | 160 | 145.9 Ų | 145.9 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | | | trans | -71.1 | 95.1 | 167.8 | -172.9 | 160.6 | -177.3 | 165.4 | 0 | 107.7 | L74 R78 | L74-K76 PolarHBondContact O-N 2.83Å; L74-K76 VanDerWaalsContact O-N 3.12Å; K76-R78 VanDerWaalsContact C-N 3.31Å; K76-R78 PolarHBondContact O-N 2.9Å |
| 77 | N | 48.2 | Very low | 53 | Low | 144 Ų | 144 | 144.5 Ų | 144.5 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -64.3 | 90 | 176.7 | -39.8 | -25.2 | 0 | 0 | 0 | 108.6 | S75 G79 | S75-N77 PolarHBondContact O-N 3.06Å; S75-N77 PolarHBondContact O-OD1 2.92Å; S75-N77 PolarHBondContact OG-OD1 2.63Å; N77-G79 PolarHBondContact O-N 3.12Å |
| 78 | R | 51.9 | Low | 52.8 | Low | 191 Ų | 191 | 146.1 Ų | 146.1 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | | | trans | -84.1 | 106.2 | 169.8 | -164.7 | -179.1 | -40 | -97 | -2.7 | 106.5 | K76 E80 | K76-R78 VanDerWaalsContact C-N 3.31Å; K76-R78 PolarHBondContact O-N 2.9Å; R78-E80 PolarHBondContact O-N 2.83Å |
| 79 | G | 45.9 | Very low | 53.1 | Low | 57 Ų | 57 | 147.1 Ų | 147.1 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | | | trans | -67.1 | 118.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | N77 F81 | N77-G79 PolarHBondContact O-N 3.12Å; G79-F81 PolarHBondContact O-N 3.49Å |
| 80 | E | 53.7 | Low | 53.7 | Low | 178 Ų | 178 | 148.7 Ų | 148.7 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -82.4 | 108.3 | 166.2 | -58.5 | -170.4 | -174.6 | 0 | 0 | 106.9 | R78 I82 | R78-E80 PolarHBondContact O-N 2.83Å; E80-I82 PolarHBondContact O-N 3.13Å |
| 81 | F | 57.9 | Low | 53.7 | Low | 195 Ų | 195 | 152.1 Ų | 152.1 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | -74.8 | 113.6 | 171.9 | -68.9 | -88.1 | 0 | 0 | 0 | 108 | G79 I83 | G79-F81 PolarHBondContact O-N 3.49Å; F81-I83 PolarHBondContact O-N 3.43Å |
| 82 | I | 61.5 | Low | 54.2 | Low | 153 Ų | 153 | 154.1 Ų | 154.1 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -78.1 | 107.6 | 168.5 | -52.5 | 177.1 | 0 | 0 | 0 | 106.6 | E80 | E80-I82 PolarHBondContact O-N 3.13Š|
| 83 | I | 64 | Low | 54.4 | Low | 133 Ų | 133 | 153 Ų | 153 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | | | trans | -78.4 | 117.6 | 168.2 | -57 | -179 | 0 | 0 | 0 | 106.5 | F81 E85 | F81-I83 PolarHBondContact O-N 3.43Å; I83-E85 HydrophobicContact CG2-CG 4.23Å |
| 84 | I | 61.2 | Low | 54.6 | Low | 153 Ų | 153 | 155.6 Ų | 155.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -90.6 | 104.6 | 168.1 | -56 | 174.6 | 0 | 0 | 0 | 105.5 | | |
| 85 | E | 50.7 | Low | 54.5 | Low | 165 Ų | 165 | 157 Ų | 157 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | | | trans | -80.4 | 141.3 | 163 | -70.9 | -77.9 | 133.2 | 0 | 0 | 108.3 | I83 | I83-E85 HydrophobicContact CG2-CG 4.23Š|
| 86 | E | 54.4 | Low | 54.8 | Low | 266 Ų | 266 | 163.2 Ų | 163.2 | 100% | 1.243 | 79% | 0.793 | S | S | * | * | | | trans | -54.1 | 0 | -172.3 | -171.9 | -179.3 | 143.8 | 0 | 0 | 115.2 | | |