| 1 | M | 65.5 | Low | 70.1 | Confident | 221 Ų | 221 | 139.4 Ų | 139.4 | 100% | 1.089 | 82% | 0.82 | S | S | * | * | | | | 0 | 115.3 | 0 | -71.4 | -175.2 | -82.6 | 0 | 0 | 107.4 | Q3 | M1-Q3 PolarHBondContact O-N 3.35Š|
| 2 | M | 70.6 | Confident | 70.1 | Confident | 169 Ų | 169 | 137.8 Ų | 137.8 | 83% | 0.833 | 81% | 0.813 | S | S | * | * | | | trans | -81.3 | 114.5 | 169.1 | -72.4 | -60 | -172.8 | 0 | 0 | 107.1 | H4 | M2-H4 PolarHBondContact O-CD2 2.95Å; M2-H4 PolarHBondContact O-N 2.91Å; M2-H4 VanDerWaalsContact O-CD2 3.25Å |
| 3 | Q | 71.8 | Confident | 70.7 | Confident | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -70 | 100.6 | 175 | -66.8 | -78.7 | -17.1 | 0 | 0 | 106.9 | M1 A5 | M1-Q3 PolarHBondContact O-N 3.35Å; Q3-A5 VanDerWaalsContact C-N 3.32Å; Q3-A5 PolarHBondContact O-N 3.33Å |
| 4 | H | 62.2 | Low | 71.3 | Confident | 179 Ų | 179 | 143 Ų | 143 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | | | trans | -70.2 | 93.5 | 171 | -64.8 | -89.2 | 0 | 0 | 0 | 107.4 | M2 S6 | M2-H4 PolarHBondContact O-CD2 2.95Å; M2-H4 PolarHBondContact O-N 2.91Å; M2-H4 VanDerWaalsContact O-CD2 3.25Å; H4-S6 PolarHBondContact O-N 2.9Å |
| 5 | A | 70.6 | Confident | 71.3 | Confident | 95 Ų | 95 | 139.5 Ų | 139.5 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q3 | Q3-A5 VanDerWaalsContact C-N 3.32Å; Q3-A5 PolarHBondContact O-N 3.33Å |
| 6 | S | 68.4 | Low | 71.2 | Confident | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134.5 | 175.1 | 61.3 | 0 | 0 | 0 | 0 | 109.1 | H4 A8 | H4-S6 PolarHBondContact O-N 2.9Å; S6-A8 PolarHBondContact O-N 2.74Å |
| 7 | P | 68.5 | Low | 71 | Confident | 122 Ų | 122 | 140.8 Ų | 140.8 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 137.5 | 174.9 | 23.4 | -30.8 | 0 | 0 | 0 | 109.7 | | |
| 8 | A | 70.6 | Confident | 70.9 | Confident | 87 Ų | 87 | 141.6 Ų | 141.6 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 147.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S6 A10 | S6-A8 PolarHBondContact O-N 2.74Å; A8-A10 PolarHBondContact O-N 2.88Å |
| 9 | P | 71.7 | Confident | 71.3 | Confident | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 127 | 176 | -20.1 | 30.6 | 0 | 0 | 0 | 110.5 | L11 | P9-L11 PolarHBondContact O-N 3.28Š|
| 10 | A | 73.6 | Confident | 71.8 | Confident | 91 Ų | 91 | 138.7 Ų | 138.7 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 124.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | A8 T12 | A8-A10 PolarHBondContact O-N 2.88Å; A10-T12 PolarHBondContact O-N 3.22Å; A10-T12 VanDerWaalsContact O-N 3.11Å |
| 11 | L | 77.4 | Confident | 72.2 | Confident | 168 Ų | 168 | 137.6 Ų | 137.6 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | | | trans | -71.8 | 103.6 | 175.6 | -66 | 173.8 | 0 | 0 | 0 | 109.2 | P9 M13 | P9-L11 PolarHBondContact O-N 3.28Å; L11-M13 PolarHBondContact O-N 2.91Å |
| 12 | T | 70.8 | Confident | 73 | Confident | 121 Ų | 121 | 132.3 Ų | 132.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -75.4 | 107.9 | 169.5 | -57.2 | 0 | 0 | 0 | 0 | 108.9 | A10 M14 | A10-T12 PolarHBondContact O-N 3.22Å; A10-T12 VanDerWaalsContact O-N 3.11Å; T12-M14 PolarHBondContact O-N 3.14Å |
| 13 | M | 77.9 | Confident | 73.6 | Confident | 179 Ų | 179 | 130 Ų | 130 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | | | trans | -70.1 | 111.6 | 173.4 | -59.6 | -133.9 | 77.8 | 0 | 0 | 109.1 | L11 A15 | L11-M13 PolarHBondContact O-N 2.91Å; M13-A15 PolarHBondContact O-N 3.16Å |
| 14 | M | 78.1 | Confident | 74.2 | Confident | 169 Ų | 169 | 132.6 Ų | 132.6 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | | | trans | -80.4 | 113.5 | 176.5 | -58.1 | -102.9 | -76 | 0 | 0 | 108.4 | T12 T16 | T12-M14 PolarHBondContact O-N 3.14Å; M14-T16 PolarHBondContact O-N 3.05Å |
| 15 | A | 72.1 | Confident | 75 | Confident | 91 Ų | 91 | 132.5 Ų | 132.5 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | -73.1 | 112.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | M13 Q17 | M13-A15 PolarHBondContact O-N 3.16Å; A15-Q17 PolarHBondContact O-N 3.27Å; A15-Q17 VanDerWaalsContact O-N 3.16Å |
| 16 | T | 69.1 | Low | 75.2 | Confident | 136 Ų | 136 | 135.4 Ų | 135.4 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | trans | -78.4 | 98 | 175 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | M14 N18 | M14-T16 PolarHBondContact O-N 3.05Å; T16-N18 VanDerWaalsContact O-N 3.14Å; T16-N18 VanDerWaalsContact C-N 3.25Å; T16-N18 PolarHBondContact O-N 3.28Å |
| 17 | Q | 68.3 | Low | 75.4 | Confident | 164 Ų | 164 | 134.4 Ų | 134.4 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | trans | -81.3 | 36.7 | -177.2 | -92.5 | -93 | 81 | 0 | 0 | 114.1 | A15 V19 | A15-Q17 PolarHBondContact O-N 3.27Å; A15-Q17 VanDerWaalsContact O-N 3.16Å; Q17-V19 PolarHBondContact O-N 3.41Å |
| 18 | N | 69.9 | Low | 75.5 | Confident | 155 Ų | 155 | 134.2 Ų | 134.2 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | -82.6 | 23.1 | -170.7 | -148.1 | 80.7 | 0 | 0 | 0 | 115.3 | T16 | T16-N18 VanDerWaalsContact O-N 3.14Å; T16-N18 VanDerWaalsContact C-N 3.25Å; T16-N18 PolarHBondContact O-N 3.28Å |
| 19 | V | 78.3 | Confident | 75.3 | Confident | 113 Ų | 113 | 138.4 Ų | 138.4 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -98.9 | 124.2 | 172.9 | -75.6 | 0 | 0 | 0 | 0 | 109.2 | Q17 | Q17-V19 PolarHBondContact O-N 3.41Š|
| 20 | P | 81 | Confident | 75.2 | Confident | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 143.7 | 174.9 | 26.1 | -32.5 | 0 | 0 | 0 | 109.3 | | |
| 21 | P | 79.2 | Confident | 74.7 | Confident | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 147.7 | 175.6 | 25.3 | -33.3 | 0 | 0 | 0 | 110.3 | | |
| 22 | P | 82.3 | Confident | 74.1 | Confident | 111 Ų | 111 | 139.1 Ų | 139.1 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60 | 149.1 | 176.3 | 26.1 | -33.6 | 0 | 0 | 0 | 110.4 | | |
| 23 | P | 84.6 | Confident | 73.7 | Confident | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 140.6 | 177.2 | 26.2 | -33.5 | 0 | 0 | 0 | 110.3 | Q25 | P23-Q25 PolarHBondContact O-N 3.38Š|
| 24 | Y | 83.6 | Confident | 72.8 | Confident | 230 Ų | 230 | 135 Ų | 135 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 125.7 | 169.3 | -65.9 | -73.5 | 0 | 0 | 0 | 108.9 | D26 | Y24-D26 PolarHBondContact O-N 3.2Š|
| 25 | Q | 80.3 | Confident | 71.9 | Confident | 178 Ų | 178 | 135.3 Ų | 135.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -74.8 | 115.8 | 169.6 | -62.7 | -173.4 | -74.2 | 0 | 0 | 108 | P23 S27 | P23-Q25 PolarHBondContact O-N 3.38Å; Q25-S27 PolarHBondContact O-N 3.43Å |
| 26 | D | 74.1 | Confident | 71 | Confident | 155 Ų | 155 | 136.1 Ų | 136.1 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | | | trans | -69.3 | 86.2 | 163.4 | -169.1 | -100.7 | 0 | 0 | 0 | 107.2 | Y24 P28 | Y24-D26 PolarHBondContact O-N 3.2Å; D26-P28 WeakPolarHBondContact O-CD 3.36Å |
| 27 | S | 72.4 | Confident | 70.2 | Confident | 85 Ų | 85 | 135 Ų | 135 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | | | trans | -77.7 | 119.2 | 167.5 | -71.1 | 0 | 0 | 0 | 0 | 107.2 | Q25 Q29 | Q25-S27 PolarHBondContact O-N 3.43Å; S27-Q29 PolarHBondContact O-N 3.28Å |
| 28 | P | 69.9 | Low | 69.5 | Low | 117 Ų | 117 | 132.7 Ų | 132.7 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | trans | -60.1 | 110 | 169.7 | -18.8 | 31.1 | 0 | 0 | 0 | 107.9 | D26 M30 | D26-P28 WeakPolarHBondContact O-CD 3.36Å; P28-M30 VanDerWaalsContact C-N 3.34Å; P28-M30 PolarHBondContact O-N 3.11Å |
| 29 | Q | 67.1 | Low | 68.6 | Low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | -65 | 102.4 | 166.1 | -65.8 | -175.8 | -57.5 | 0 | 0 | 105.8 | S27 T31 | S27-Q29 PolarHBondContact O-N 3.28Å; Q29-T31 PolarHBondContact O-N 3.25Å; Q29-T31 PolarHBondContact O-OG1 3.4Å |
| 30 | M | 68.6 | Low | 67.3 | Low | 188 Ų | 188 | 133.1 Ų | 133.1 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | | | trans | -61.2 | 94.9 | 169.4 | -159 | 170.9 | -164.5 | 0 | 0 | 106.3 | P28 A32 | P28-M30 VanDerWaalsContact C-N 3.34Å; P28-M30 PolarHBondContact O-N 3.11Å; M30-A32 VanDerWaalsContact C-N 3.31Å; M30-A32 PolarHBondContact O-N 3.39Å |
| 31 | T | 63.7 | Low | 66 | Low | 108 Ų | 108 | 135.4 Ų | 135.4 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | | | trans | -70.6 | 93.6 | 179.3 | -59.7 | 0 | 0 | 0 | 0 | 106 | Q29 T33 | Q29-T31 PolarHBondContact O-N 3.25Å; Q29-T31 PolarHBondContact O-OG1 3.4Å; T31-T33 HydrophobicContact CG2-CG2 3.91Å; T31-T33 PolarHBondContact O-N 2.97Å |
| 32 | A | 64.2 | Low | 64.8 | Low | 99 Ų | 99 | 133.7 Ų | 133.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -71.6 | 80.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | M30 A34 | M30-A32 VanDerWaalsContact C-N 3.31Å; M30-A32 PolarHBondContact O-N 3.39Å; A32-A34 PolarHBondContact O-N 3.33Å |
| 33 | T | 62.5 | Low | 63.6 | Low | 126 Ų | 126 | 134.2 Ų | 134.2 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | -76.9 | 96.3 | 162.3 | 47.3 | 0 | 0 | 0 | 0 | 108.7 | T31 | T31-T33 HydrophobicContact CG2-CG2 3.91Å; T31-T33 PolarHBondContact O-N 2.97Å |
| 34 | A | 60.3 | Low | 62.3 | Low | 87 Ų | 87 | 136.2 Ų | 136.2 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | | | trans | -143.3 | 87.3 | 152 | 0 | 0 | 0 | 0 | 0 | 108.3 | A32 P36 | A32-A34 PolarHBondContact O-N 3.33Å; A34-P36 WeakPolarHBondContact O-CD 3.1Å |
| 35 | Q | 58.8 | Low | 61 | Low | 175 Ų | 175 | 132.8 Ų | 132.8 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -81.6 | 107.6 | 156.9 | 178.9 | -174 | -76.9 | 0 | 0 | 107.3 | | |
| 36 | P | 53.6 | Low | 60 | Low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | trans | -74.6 | 128.7 | 154 | 28 | -28.6 | 0 | 0 | 0 | 108.3 | A34 | A34-P36 WeakPolarHBondContact O-CD 3.1Š|
| 37 | P | 51.4 | Low | 58.9 | Low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -68.5 | 148.4 | 178.3 | 28 | -32.7 | 0 | 0 | 0 | 111.9 | | |
| 38 | S | 53 | Low | 58.4 | Low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -37.2 | 134 | 172.8 | -169.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 39 | K | 51.9 | Low | 57.4 | Low | 178 Ų | 178 | 132.2 Ų | 132.2 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | | | trans | 65.2 | 100.5 | 147 | -162.8 | -179.5 | -175.6 | 179.8 | 0 | 118.5 | | |
| 40 | A | 51.2 | Low | 57 | Low | 100 Ų | 100 | 130 Ų | 130 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -141.2 | 117.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | A42 | A40-A42 PolarHBondContact O-N 3.25Š|
| 41 | Q | 54.4 | Low | 56.3 | Low | 161 Ų | 161 | 126.9 Ų | 126.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | -65.6 | 123.4 | 168.9 | -64.3 | 169.4 | 12.9 | 0 | 0 | 107.6 | | |
| 42 | A | 53.2 | Low | 55.9 | Low | 78 Ų | 78 | 128 Ų | 128 | 65% | 0.645 | 80% | 0.798 | S | S | * | * | | | trans | -118.5 | 85.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | A40 H44 | A40-A42 PolarHBondContact O-N 3.25Å; A42-H44 PolarHBondContact O-N 3.07Å |
| 43 | V | 56.8 | Low | 55.5 | Low | 122 Ų | 122 | 129.7 Ų | 129.7 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | | | trans | -64.9 | 110 | 164.8 | -81.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 44 | H | 57.1 | Low | 55 | Low | 162 Ų | 162 | 129.9 Ų | 129.9 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | | | trans | -124.8 | 86.4 | 163.1 | -70.6 | -86.2 | 0 | 0 | 0 | 108.9 | A42 S46 | A42-H44 PolarHBondContact O-N 3.07Å; H44-S46 PolarHBondContact O-N 3.47Å |
| 45 | I | 57.6 | Low | 54.7 | Low | 158 Ų | 158 | 132.8 Ų | 132.8 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 122.6 | 154.1 | 48.1 | 112.2 | 0 | 0 | 0 | 108.9 | | |
| 46 | S | 57.9 | Low | 54.4 | Low | 118 Ų | 118 | 129.8 Ų | 129.8 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 118.1 | 169.6 | -61.6 | 0 | 0 | 0 | 0 | 108 | H44 | H44-S46 PolarHBondContact O-N 3.47Š|
| 47 | A | 50.8 | Low | 54.4 | Low | 85 Ų | 85 | 131.4 Ų | 131.4 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 129.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 48 | P | 62.8 | Low | 54.7 | Low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73 | 141.6 | 172.4 | 29.1 | -31.3 | 0 | 0 | 0 | 110.7 | | |
| 49 | S | 49.5 | Very low | 54.8 | Low | 193 Ų | 193 | 134.6 Ų | 134.6 | 100% | 1.35 | 82% | 0.817 | S | S | * | * | | | trans | -72.1 | 0 | 171.3 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | | |