| 1 | M | 38.5 | Very low | 41.7 | Very low | 217 Ų | 217 | 162.5 Ų | 162.5 | 100% | 1.069 | 80% | 0.803 | S | S | * | * | | | | 0 | 135 | 0 | -164.8 | 172.8 | -170.2 | 0 | 0 | 107.1 | | |
| 2 | W | 35.5 | Very low | 41.9 | Very low | 191 Ų | 191 | 163 Ų | 163 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | | | trans | 78.8 | 91.2 | -172.1 | -52.9 | 102.6 | 0 | 0 | 0 | 114.3 | | |
| 3 | R | 44.3 | Very low | 42.3 | Very low | 218 Ų | 218 | 160.2 Ų | 160.2 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | | | | 63.9 | 110.8 | 89 | -67 | -163 | -154.3 | -110 | 8.5 | 109.7 | | |
| 4 | G | 40.5 | Very low | 42.4 | Very low | 73 Ų | 73 | 156.9 Ų | 156.9 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | cis | 101.2 | 106.6 | 37.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 5 | I | 48.2 | Very low | 42.6 | Very low | 173 Ų | 173 | 156.3 Ų | 156.3 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | | | trans | -146.9 | 112.8 | 146.6 | -33.4 | 174.4 | 0 | 0 | 0 | 106.4 | | |
| 6 | D | 43.9 | Very low | 42.7 | Very low | 151 Ų | 151 | 156.6 Ų | 156.6 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | trans | -59.4 | 167.2 | 161.8 | -64.5 | -67.6 | 0 | 0 | 0 | 111.2 | | |
| 7 | S | 39.2 | Very low | 42.8 | Very low | 107 Ų | 107 | 154.9 Ų | 154.9 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | 82.4 | 125.3 | 164.6 | -131.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 8 | I | 43.1 | Very low | 43 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | | -146.2 | 135.6 | 54 | -68.5 | 161.8 | 0 | 0 | 0 | 109.3 | | |
| 9 | Y | 37.3 | Very low | 43.5 | Very low | 208 Ų | 208 | 153.2 Ų | 153.2 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | | | trans | -53.5 | 164.9 | 170.2 | -95.3 | -93.3 | 0 | 0 | 0 | 113 | | |
| 10 | P | 50.7 | Low | 43.8 | Very low | 101 Ų | 101 | 151.2 Ų | 151.2 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | | | trans | -76.8 | 136.5 | -155.8 | 32.8 | -33.7 | 0 | 0 | 0 | 112.1 | | |
| 11 | Y | 37.1 | Very low | 43.7 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | -124.1 | 74.3 | 158.5 | -71.6 | -79.2 | 0 | 0 | 0 | 108.6 | L13 | Y11-L13 PolarHBondContact O-N 3.19Š|
| 12 | E | 44 | Very low | 44.3 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | -66.6 | 79.4 | 149.5 | -72.9 | -108.8 | 161.7 | 0 | 0 | 106.4 | L14 | E12-L14 PolarHBondContact O-N 3.02Š|
| 13 | L | 47.7 | Very low | 44.9 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 67% | 0.665 | 75% | 0.748 | S | S | * | * | | | trans | -75.1 | 76.2 | 166.8 | -153.2 | 94 | 0 | 0 | 0 | 106.6 | Y11 Q15 | Y11-L13 PolarHBondContact O-N 3.19Å; L13-Q15 HydrophobicContact CD2-CG 4.26Å; L13-Q15 PolarHBondContact O-N 2.97Å |
| 14 | L | 44.1 | Very low | 45.1 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 60% | 0.597 | 74% | 0.744 | S | S | * | * | | | trans | -68.5 | 84.7 | 173.8 | -149.3 | 97.7 | 0 | 0 | 0 | 107.2 | E12 K16 | E12-L14 PolarHBondContact O-N 3.02Å; L14-K16 HydrophobicContact CD2-CD 4.11Å; L14-K16 HydrophobicContact CD2-CG 3.97Å; L14-K16 PolarHBondContact O-N 3.33Å |
| 15 | Q | 45.6 | Very low | 45.5 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | | | trans | -68.9 | 84.9 | 169.2 | -101 | 173.5 | -9.3 | 0 | 0 | 108.1 | L13 N17 | L13-Q15 HydrophobicContact CD2-CG 4.26Å; L13-Q15 PolarHBondContact O-N 2.97Å; Q15-N17 PolarHBondContact O-N 3.13Å |
| 16 | K | 44.3 | Very low | 45.6 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 70% | 0.704 | 73% | 0.732 | S | S | * | * | | | trans | -68.8 | 82.3 | 162.8 | -89.5 | 175.8 | 176 | 175.9 | 0 | 108 | L14 I18 | L14-K16 HydrophobicContact CD2-CD 4.11Å; L14-K16 HydrophobicContact CD2-CG 3.97Å; L14-K16 PolarHBondContact O-N 3.33Å; K16-I18 VanDerWaalsContact C-N 3.27Å; K16-I18 HydrophobicContact CB-CG1 4.47Å; K16-I18 PolarHBondContact O-N 2.66Å |
| 17 | N | 43.8 | Very low | 45.9 | Very low | 128 Ų | 128 | 136 Ų | 136 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | | | trans | -70.1 | 94.6 | 158 | -71.3 | -36 | 0 | 0 | 0 | 106.7 | Q15 L19 | Q15-N17 PolarHBondContact O-N 3.13Å; N17-L19 VanDerWaalsContact C-N 3.31Å; N17-L19 PolarHBondContact O-N 2.89Å |
| 18 | I | 46.1 | Very low | 46.4 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | | | trans | -73 | 93.2 | 170.3 | -60 | 172 | 0 | 0 | 0 | 106.2 | K16 | K16-I18 VanDerWaalsContact C-N 3.27Å; K16-I18 HydrophobicContact CB-CG1 4.47Å; K16-I18 PolarHBondContact O-N 2.66Å |
| 19 | L | 53.4 | Low | 46.4 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 142.8 | 162.1 | -69.9 | 170.1 | 0 | 0 | 0 | 108.4 | N17 | N17-L19 VanDerWaalsContact C-N 3.31Å; N17-L19 PolarHBondContact O-N 2.89Å |
| 20 | P | 48.2 | Very low | 47.2 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -61 | 152.7 | -178 | 25.2 | -32.8 | 0 | 0 | 0 | 111.6 | G22 | P20-G22 PolarHBondContact O-N 3.21Š|
| 21 | A | 43 | Very low | 47.3 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 94% | 0.942 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46 | 124.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 22 | G | 50.5 | Low | 47.9 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.8 | -21 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P20 | P20-G22 PolarHBondContact O-N 3.21Š|
| 23 | T | 48.6 | Very low | 48.1 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | | | trans | -92.9 | 115.4 | -178.3 | -34.9 | 0 | 0 | 0 | 0 | 110.1 | C25 | T23-C25 PolarHBondContact O-N 2.86Š|
| 24 | C | 48.3 | Very low | 48.3 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 75% | 0.75 | 71% | 0.709 | S | S | * | * | | | trans | -45.3 | 131.2 | 165.7 | -177.1 | 0 | 0 | 0 | 0 | 109 | I26 | C24-I26 PolarHBondContact O-N 2.84Š|
| 25 | C | 48.1 | Very low | 48.5 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | | | trans | -58.7 | 103.4 | 171.9 | -56.7 | 0 | 0 | 0 | 0 | 107.4 | T23 Y27 | T23-C25 PolarHBondContact O-N 2.86Å; C25-Y27 HydrophobicContact CB-CD2 3.64Å; C25-Y27 HydrophobicContact CB-CE2 3.39Å; C25-Y27 PolarHBondContact O-N 3.07Å |
| 26 | I | 49.9 | Very low | 48.8 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | | | trans | -70.1 | 89.7 | 163.7 | 14.3 | 176.1 | 0 | 0 | 0 | 105.8 | C24 S28 | C24-I26 PolarHBondContact O-N 2.84Å; I26-S28 PolarHBondContact O-N 3.04Å |
| 27 | Y | 50.1 | Low | 48.9 | Very low | 212 Ų | 212 | 128 Ų | 128 | 83% | 0.831 | 72% | 0.723 | S | S | * | * | | | trans | -71.2 | 79.3 | 160.9 | -73.2 | -83.7 | 0 | 0 | 0 | 106.8 | C25 R29 | C25-Y27 HydrophobicContact CB-CD2 3.64Å; C25-Y27 HydrophobicContact CB-CE2 3.39Å; C25-Y27 PolarHBondContact O-N 3.07Å; Y27-R29 PolarHBondContact O-N 2.9Å; Y27-R29 VanDerWaalsContact O-N 3.1Å |
| 28 | S | 51.1 | Low | 49.2 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | | | trans | -75.7 | 97.6 | 166.3 | 46.3 | 0 | 0 | 0 | 0 | 107.4 | I26 V30 | I26-S28 PolarHBondContact O-N 3.04Å; S28-V30 VanDerWaalsContact C-N 3.28Å; S28-V30 PolarHBondContact O-N 2.85Å |
| 29 | R | 43.1 | Very low | 49.5 | Very low | 200 Ų | 200 | 132.4 Ų | 132.4 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | trans | -67.5 | 95.9 | 162.5 | -168.3 | -177.6 | -174 | -161.6 | -8 | 106.6 | Y27 E31 | Y27-R29 PolarHBondContact O-N 2.9Å; Y27-R29 VanDerWaalsContact O-N 3.1Å; R29-E31 HydrophobicContact CG-CG 4.11Å; R29-E31 IonicContact CZ-OE1 2.82Å; R29-E31 IonicContact NE-OE1 3.43Å; R29-E31 PolarHBondContact NE-OE1 3.32Å; R29-E31 IonicContact NH1-OE1 3.1Å; R29-E31 PolarHBondContact NH1-OE1 3.09Å; R29-E31 VanDerWaalsContact NH1-OE1 3.1Å; R29-E31 IonicContact NH2-OE1 2.66Å; R29-E31 PolarHBondContact NH2-OE1 2.78Å; R29-E31 PolarHBondContact O-N 2.97Å |
| 30 | V | 54 | Low | 49.5 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | | | trans | -77.9 | 84.6 | 167.6 | -173.1 | 0 | 0 | 0 | 0 | 106.2 | S28 V32 | S28-V30 VanDerWaalsContact C-N 3.28Å; S28-V30 PolarHBondContact O-N 2.85Å; V30-V32 HydrophobicContact CG1-CG2 3.77Å; V30-V32 PolarHBondContact O-N 2.87Å |
| 31 | E | 52.5 | Low | 49.6 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 47% | 0.472 | 74% | 0.739 | S | S | . | * | | | trans | -67.5 | 94.8 | 158.8 | -80.8 | -175.9 | 156.8 | 0 | 0 | 106.5 | R29 F33 | R29-E31 HydrophobicContact CG-CG 4.11Å; R29-E31 IonicContact CZ-OE1 2.82Å; R29-E31 IonicContact NE-OE1 3.43Å; R29-E31 PolarHBondContact NE-OE1 3.32Å; R29-E31 IonicContact NH1-OE1 3.1Å; R29-E31 PolarHBondContact NH1-OE1 3.09Å; R29-E31 VanDerWaalsContact NH1-OE1 3.1Å; R29-E31 IonicContact NH2-OE1 2.66Å; R29-E31 PolarHBondContact NH2-OE1 2.78Å; R29-E31 PolarHBondContact O-N 2.97Å; E31-F33 HydrophobicContact CB-CD2 3.97Å; E31-F33 HydrophobicContact CB-CE2 3.97Å; E31-F33 HydrophobicContact CG-CE2 4.41Å; E31-F33 PolarHBondContact O-N 3Å; E31-F33 WeakPolarHBondContact OE2-CE2 3.5Å |
| 32 | V | 49.2 | Very low | 50.1 | Low | 111 Ų | 111 | 137 Ų | 137 | 67% | 0.673 | 73% | 0.726 | S | S | * | * | | | trans | -71.9 | 81.3 | 165.7 | -153.5 | 0 | 0 | 0 | 0 | 105.8 | V30 T34 | V30-V32 HydrophobicContact CG1-CG2 3.77Å; V30-V32 PolarHBondContact O-N 2.87Å; V32-T34 HydrophobicContact CG1-CG2 4.2Å; V32-T34 PolarHBondContact O-N 2.95Å |
| 33 | F | 48.7 | Very low | 50.2 | Low | 167 Ų | 167 | 142 Ų | 142 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | | | trans | -66.3 | 99.6 | 156.3 | -79 | -79.9 | 0 | 0 | 0 | 105.2 | E31 D35 | E31-F33 HydrophobicContact CB-CD2 3.97Å; E31-F33 HydrophobicContact CB-CE2 3.97Å; E31-F33 HydrophobicContact CG-CE2 4.41Å; E31-F33 PolarHBondContact O-N 3Å; E31-F33 WeakPolarHBondContact OE2-CE2 3.5Å; F33-D35 PolarHBondContact O-N 3.14Å |
| 34 | T | 52.3 | Low | 50.4 | Low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 73% | 0.731 | S | S | * | * | | | trans | -68.2 | 81.1 | 162.8 | 52.2 | 0 | 0 | 0 | 0 | 106.9 | V32 | V32-T34 HydrophobicContact CG1-CG2 4.2Å; V32-T34 PolarHBondContact O-N 2.95Å |
| 35 | D | 47.1 | Very low | 50.7 | Low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | | | trans | -117.8 | 121.8 | 152.9 | -138.3 | -18.5 | 0 | 0 | 0 | 107.6 | F33 N37 | F33-D35 PolarHBondContact O-N 3.14Å; D35-N37 PolarHBondContact O-N 3.23Å |
| 36 | V | 51.8 | Low | 51.2 | Low | 126 Ų | 126 | 144.6 Ų | 144.6 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | | | trans | -84.6 | 106.9 | -166 | -164.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 37 | N | 46.9 | Very low | 51.3 | Low | 129 Ų | 129 | 144.9 Ų | 144.9 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | | | trans | -141.5 | 93.2 | 158 | -160.2 | -62.4 | 0 | 0 | 0 | 108.8 | D35 E39 | D35-N37 PolarHBondContact O-N 3.23Å; N37-E39 VanDerWaalsContact C-N 3.35Å; N37-E39 PolarHBondContact O-N 3.07Å; N37-E39 PolarHBondContact OD1-N 2.98Å |
| 38 | Y | 50.2 | Low | 51.6 | Low | 215 Ų | 215 | 140.3 Ų | 140.3 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | | | trans | -70.4 | 98.8 | 157.1 | -97.7 | -100.5 | 0 | 0 | 0 | 105.5 | | |
| 39 | E | 53.1 | Low | 52 | Low | 156 Ų | 156 | 143.9 Ų | 143.9 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -162.3 | 119.1 | 145.2 | -77.2 | -48.1 | 78.9 | 0 | 0 | 107.4 | N37 | N37-E39 VanDerWaalsContact C-N 3.35Å; N37-E39 PolarHBondContact O-N 3.07Å; N37-E39 PolarHBondContact OD1-N 2.98Å |
| 40 | D | 52.8 | Low | 52.6 | Low | 140 Ų | 140 | 140.6 Ų | 140.6 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | | | trans | 55.5 | 80.3 | 156.7 | -158.4 | 27 | 0 | 0 | 0 | 119.1 | | |
| 41 | F | 50.9 | Low | 52.9 | Low | 200 Ų | 200 | 140.3 Ų | 140.3 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | | | trans | -98.1 | 94 | 157.6 | -95.4 | -89.6 | 0 | 0 | 0 | 109.7 | F43 | F41-F43 PolarHBondContact O-N 2.87Å; F41-F43 VanDerWaalsContact O-N 3.13Å |
| 42 | T | 53.8 | Low | 53.3 | Low | 107 Ų | 107 | 139.2 Ų | 139.2 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | | | trans | -67.2 | 107 | 164.7 | 3.7 | 0 | 0 | 0 | 0 | 108.2 | T44 | T42-T44 PolarHBondContact O-N 3.09Š|
| 43 | F | 51.7 | Low | 54 | Low | 186 Ų | 186 | 142.9 Ų | 142.9 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | | | trans | -74.3 | 90.6 | 179.5 | -156.6 | -90.4 | 0 | 0 | 0 | 109.6 | F41 I45 | F41-F43 PolarHBondContact O-N 2.87Å; F41-F43 VanDerWaalsContact O-N 3.13Å; F43-I45 HydrophobicContact CD1-CG1 4.08Å; F43-I45 HydrophobicContact CE1-CG1 4.32Å; F43-I45 PolarHBondContact O-N 3.19Å |
| 44 | T | 51.8 | Low | 54.8 | Low | 120 Ų | 120 | 145.9 Ų | 145.9 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | trans | -80.1 | 111 | 172.8 | -48 | 0 | 0 | 0 | 0 | 109.2 | T42 P46 | T42-T44 PolarHBondContact O-N 3.09Å; T44-P46 WeakPolarHBondContact O-CD 3.48Å |
| 45 | I | 55.5 | Low | 55.4 | Low | 135 Ų | 135 | 144.8 Ų | 144.8 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | -73.4 | 119.8 | 171.1 | -56.6 | 176.3 | 0 | 0 | 0 | 107.2 | F43 D47 | F43-I45 HydrophobicContact CD1-CG1 4.08Å; F43-I45 HydrophobicContact CE1-CG1 4.32Å; F43-I45 PolarHBondContact O-N 3.19Å; I45-D47 PolarHBondContact O-N 3.4Å |
| 46 | P | 57.9 | Low | 56.4 | Low | 98 Ų | 98 | 145.4 Ų | 145.4 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | trans | -70.8 | 123.6 | 173 | 28.2 | -30.8 | 0 | 0 | 0 | 108.7 | T44 V48 | T44-P46 WeakPolarHBondContact O-CD 3.48Å; P46-V48 VanDerWaalsContact C-N 3.34Å; P46-V48 PolarHBondContact O-N 2.76Å |
| 47 | D | 52.4 | Low | 57 | Low | 159 Ų | 159 | 147.1 Ų | 147.1 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | | | trans | -69.1 | 92.7 | 174 | -159.8 | 39.5 | 0 | 0 | 0 | 108.1 | I45 E49 | I45-D47 PolarHBondContact O-N 3.4Å; D47-E49 PolarHBondContact O-N 3.43Å |
| 48 | V | 57.3 | Low | 58.2 | Low | 116 Ų | 116 | 143.2 Ų | 143.2 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | | | trans | -83.3 | 98.5 | 174.6 | 175.5 | 0 | 0 | 0 | 0 | 106.5 | P46 D50 | P46-V48 VanDerWaalsContact C-N 3.34Å; P46-V48 PolarHBondContact O-N 2.76Å; V48-D50 PolarHBondContact O-N 2.98Å |
| 49 | E | 58.1 | Low | 59.3 | Low | 169 Ų | 169 | 139.7 Ų | 139.7 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | -55.3 | 102.9 | 161.1 | -84 | -168.3 | 98.6 | 0 | 0 | 108.4 | D47 S51 | D47-E49 PolarHBondContact O-N 3.43Å; E49-S51 PolarHBondContact O-N 3.4Å |
| 50 | D | 57 | Low | 60.1 | Low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | -72.7 | 74.4 | 173.2 | -175.7 | 12.6 | 0 | 0 | 0 | 109.2 | V48 S52 | V48-D50 PolarHBondContact O-N 2.98Å; D50-S52 PolarHBondContact O-N 3.06Å; D50-S52 PolarHBondContact O-OG 3.07Å; D50-S52 WeakPolarHBondContact OD1-CB 3.45Å; D50-S52 PolarHBondContact OD1-OG 3.41Å; D50-S52 PolarHBondContact OD2-OG 2.95Å |
| 51 | S | 59.2 | Low | 61.4 | Low | 104 Ų | 104 | 144.6 Ų | 144.6 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -75.1 | 72.9 | 165.2 | -79.3 | 0 | 0 | 0 | 0 | 109.1 | E49 Q53 | E49-S51 PolarHBondContact O-N 3.4Å; S51-Q53 PolarHBondContact O-N 2.77Å |
| 52 | S | 62.3 | Low | 62.5 | Low | 78 Ų | 78 | 140 Ų | 140 | 55% | 0.545 | 75% | 0.745 | S | S | . | * | | | trans | -74.8 | 75.1 | 174.6 | 3.3 | 0 | 0 | 0 | 0 | 110.5 | D50 R54 | D50-S52 PolarHBondContact O-N 3.06Å; D50-S52 PolarHBondContact O-OG 3.07Å; D50-S52 WeakPolarHBondContact OD1-CB 3.45Å; D50-S52 PolarHBondContact OD1-OG 3.41Å; D50-S52 PolarHBondContact OD2-OG 2.95Å; S52-R54 PolarHBondContact O-N 3.29Å |
| 53 | Q | 62.9 | Low | 63.4 | Low | 188 Ų | 188 | 140.2 Ų | 140.2 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | | | trans | -68.7 | 99.9 | 161.1 | -101.6 | -175.8 | -35.5 | 0 | 0 | 108.6 | S51 P55 | S51-Q53 PolarHBondContact O-N 2.77Å; Q53-P55 WeakPolarHBondContact O-CD 3.18Å |
| 54 | R | 65.9 | Low | 64.4 | Low | 229 Ų | 229 | 137.3 Ų | 137.3 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | | | trans | -66 | 125.6 | 169.5 | -68.3 | -170.2 | 174.2 | -169.5 | -1.2 | 108.9 | S52 D56 | S52-R54 PolarHBondContact O-N 3.29Å; R54-D56 PolarHBondContact O-N 3.43Å |
| 55 | P | 64.4 | Low | 65.3 | Low | 102 Ų | 102 | 140.8 Ų | 140.8 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | | | trans | -69.2 | 128.7 | 169.4 | 27.1 | -29.8 | 0 | 0 | 0 | 108.5 | Q53 Q57 | Q53-P55 WeakPolarHBondContact O-CD 3.18Å; P55-Q57 PolarHBondContact O-N 3.12Å |
| 56 | D | 68.3 | Low | 65.6 | Low | 166 Ų | 166 | 137.1 Ų | 137.1 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | | | trans | -66.4 | 96.4 | 175.1 | -168.7 | 27 | 0 | 0 | 0 | 108.8 | R54 G58 | R54-D56 PolarHBondContact O-N 3.43Å; D56-G58 PolarHBondContact O-N 3.33Å |
| 57 | Q | 63.5 | Low | 65.9 | Low | 162 Ų | 162 | 140.9 Ų | 140.9 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | trans | -83.4 | 91.8 | 175.9 | -69.5 | -170.7 | -23.1 | 0 | 0 | 107.9 | P55 | P55-Q57 PolarHBondContact O-N 3.12Š|
| 58 | G | 72.1 | Confident | 66.9 | Low | 47 Ų | 47 | 141 Ų | 141 | 49% | 0.485 | 77% | 0.765 | S | S | . | * | | | trans | -54.9 | 169.7 | 166 | 0 | 0 | 0 | 0 | 0 | 112 | D56 Q60 | D56-G58 PolarHBondContact O-N 3.33Å; G58-Q60 PolarHBondContact O-N 3.39Å |
| 59 | P | 74.4 | Confident | 67.5 | Low | 140 Ų | 140 | 141.1 Ų | 141.1 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | | | trans | -54.5 | 113.2 | -170.1 | -24.7 | 33 | 0 | 0 | 0 | 112.2 | R61 | P59-R61 PolarHBondContact O-N 2.72Š|
| 60 | Q | 70.9 | Confident | 68.1 | Low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 118.6 | 178.5 | -170.2 | 176.7 | -16.3 | 0 | 0 | 108.8 | G58 | G58-Q60 PolarHBondContact O-N 3.39Š|
| 61 | R | 78.3 | Confident | 68.8 | Low | 223 Ų | 223 | 142.7 Ų | 142.7 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 138.8 | 177.8 | -166.3 | 178.8 | -74.8 | 164.4 | -2.9 | 109.1 | P59 | P59-R61 PolarHBondContact O-N 2.72Š|
| 62 | P | 75.6 | Confident | 69.1 | Low | 104 Ų | 104 | 144 Ų | 144 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 145.7 | 175.8 | 21.8 | -31.7 | 0 | 0 | 0 | 110.4 | | |
| 63 | P | 71.6 | Confident | 69.2 | Low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60 | 146.7 | 176.1 | 26.2 | -32.8 | 0 | 0 | 0 | 109.7 | E65 | P63-E65 PolarHBondContact O-N 3.2Š|
| 64 | P | 73.5 | Confident | 69.3 | Low | 125 Ų | 125 | 142.2 Ų | 142.2 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 131.8 | 177.6 | 23.7 | -31.3 | 0 | 0 | 0 | 109.6 | G66 | P64-G66 PolarHBondContact O-N 3.38Å; P64-G66 VanDerWaalsContact O-N 3.09Å |
| 65 | E | 71.1 | Confident | 68.9 | Low | 193 Ų | 193 | 136.3 Ų | 136.3 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 116.7 | 175.9 | -71.3 | 161.8 | 174 | 0 | 0 | 108.4 | P63 | P63-E65 PolarHBondContact O-N 3.2Š|
| 66 | G | 61 | Low | 68.7 | Low | 59 Ų | 59 | 134.7 Ų | 134.7 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 144 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P64 L68 | P64-G66 PolarHBondContact O-N 3.38Å; P64-G66 VanDerWaalsContact O-N 3.09Å; G66-L68 VanDerWaalsContact C-N 3.3Å; G66-L68 PolarHBondContact O-N 3.26Å |
| 67 | L | 65 | Low | 68.4 | Low | 176 Ų | 176 | 134 Ų | 134 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | trans | -56.4 | 96.5 | 163 | -62.9 | 171.6 | 0 | 0 | 0 | 107.8 | | |
| 68 | L | 72.2 | Confident | 68.4 | Low | 161 Ų | 161 | 134.8 Ų | 134.8 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 127.2 | 172.7 | -68.1 | 173.7 | 0 | 0 | 0 | 107.4 | G66 R70 | G66-L68 VanDerWaalsContact C-N 3.3Å; G66-L68 PolarHBondContact O-N 3.26Å; L68-R70 PolarHBondContact O-N 2.66Å |
| 69 | P | 69.3 | Low | 68.2 | Low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.5 | 177.4 | 23.3 | -30.6 | 0 | 0 | 0 | 108.2 | | |
| 70 | R | 71.5 | Confident | 67.8 | Low | 230 Ų | 230 | 138.2 Ų | 138.2 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 130.9 | 174.2 | -174.8 | 175.6 | -178.2 | 145.5 | -0.4 | 107.9 | L68 | L68-R70 PolarHBondContact O-N 2.66Š|
| 71 | P | 72.2 | Confident | 67.9 | Low | 104 Ų | 104 | 131.2 Ų | 131.2 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 141 | 175.3 | 21.1 | -30.6 | 0 | 0 | 0 | 109 | G73 | P71-G73 PolarHBondContact O-N 3.1Å; P71-G73 VanDerWaalsContact O-N 3.07Å |
| 72 | P | 65.6 | Low | 67.6 | Low | 131 Ų | 131 | 126.8 Ų | 126.8 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 121.1 | -177.3 | 23.3 | -30.9 | 0 | 0 | 0 | 108.2 | | |
| 73 | G | 64.2 | Low | 67.5 | Low | 58 Ų | 58 | 129.5 Ų | 129.5 | 60% | 0.598 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 140.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P71 S75 | P71-G73 PolarHBondContact O-N 3.1Å; P71-G73 VanDerWaalsContact O-N 3.07Å; G73-S75 PolarHBondContact O-N 3.43Å |
| 74 | D | 65.3 | Low | 67.5 | Low | 170 Ų | 170 | 133.2 Ų | 133.2 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | | | trans | -67.8 | 76.2 | 172.8 | -167.4 | 15.5 | 0 | 0 | 0 | 109.4 | G76 | D74-G76 PolarHBondContact O-N 2.87Š|
| 75 | S | 57.5 | Low | 67.7 | Low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | -92.5 | 84 | 171 | 55.9 | 0 | 0 | 0 | 0 | 107.8 | G73 N77 | G73-S75 PolarHBondContact O-N 3.43Å; S75-N77 PolarHBondContact O-N 2.9Å |
| 76 | G | 60 | Low | 68 | Low | 68 Ų | 68 | 134.1 Ų | 134.1 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | -61.9 | 87.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | D74 | D74-G76 PolarHBondContact O-N 2.87Š|
| 77 | N | 61.1 | Low | 68.8 | Low | 152 Ų | 152 | 137.1 Ų | 137.1 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | -114.9 | 95.4 | 153.6 | -98.9 | -24 | 0 | 0 | 0 | 106.3 | S75 D79 | S75-N77 PolarHBondContact O-N 2.9Å; N77-D79 PolarHBondContact O-N 3.23Å |
| 78 | Q | 64.8 | Low | 69.4 | Low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | trans | -73.8 | 77 | 161.2 | -69.3 | -172.7 | -38.2 | 0 | 0 | 107.2 | D80 | Q78-D80 PolarHBondContact O-N 3.47Å; Q78-D80 VanDerWaalsContact O-N 3.07Å |
| 79 | D | 68.2 | Low | 69.7 | Low | 144 Ų | 144 | 135.8 Ų | 135.8 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | trans | -76.5 | 83.8 | 158.4 | -166 | 15.6 | 0 | 0 | 0 | 106.6 | N77 G81 | N77-D79 PolarHBondContact O-N 3.23Å; D79-G81 PolarHBondContact O-N 3.17Å |
| 80 | D | 65.8 | Low | 70 | Confident | 115 Ų | 115 | 133 Ų | 133 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | | | trans | -72.8 | 59.9 | 164.5 | -80.8 | -51.3 | 0 | 0 | 0 | 108.7 | Q78 | Q78-D80 PolarHBondContact O-N 3.47Å; Q78-D80 VanDerWaalsContact O-N 3.07Å |
| 81 | G | 71.5 | Confident | 70.2 | Confident | 30 Ų | 30 | 124.9 Ų | 124.9 | 31% | 0.309 | 74% | 0.737 | S | S | . | * | | | trans | -50.9 | 150.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | D79 Q83 | D79-G81 PolarHBondContact O-N 3.17Å; G81-Q83 PolarHBondContact O-N 3.45Å |
| 82 | P | 73.4 | Confident | 70.2 | Confident | 129 Ų | 129 | 127.9 Ų | 127.9 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | | | trans | -54.7 | 107.6 | -168.8 | 22.1 | -33 | 0 | 0 | 0 | 109.9 | Q84 | P82-Q84 PolarHBondContact O-N 3.48Š|
| 83 | Q | 71.9 | Confident | 70.5 | Confident | 161 Ų | 161 | 129.6 Ų | 129.6 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | | | trans | -56.7 | 117.5 | 177.3 | -70.8 | -175.2 | 5.7 | 0 | 0 | 106.7 | G81 R85 | G81-Q83 PolarHBondContact O-N 3.45Å; Q83-R85 PolarHBondContact O-N 3.43Å |
| 84 | Q | 72.9 | Confident | 70.9 | Confident | 189 Ų | 189 | 138.2 Ų | 138.2 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | trans | -57.9 | 114.6 | 176.7 | -68.2 | -165.3 | 10.5 | 0 | 0 | 107.1 | P82 | P82-Q84 PolarHBondContact O-N 3.48Š|
| 85 | R | 77.3 | Confident | 71.4 | Confident | 227 Ų | 227 | 137.9 Ų | 137.9 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 140.3 | 173.5 | -96.9 | -177.1 | -97.5 | -178 | -6.9 | 107.9 | Q83 | Q83-R85 PolarHBondContact O-N 3.43Š|
| 86 | P | 77.5 | Confident | 72.6 | Confident | 111 Ų | 111 | 138.1 Ų | 138.1 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 138.6 | 171.4 | -24.4 | 32.5 | 0 | 0 | 0 | 109.5 | K88 | P86-K88 PolarHBondContact O-N 3.37Š|
| 87 | P | 77.1 | Confident | 73.6 | Confident | 121 Ų | 121 | 140.3 Ų | 140.3 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 136.1 | 176.1 | 23.5 | -32.4 | 0 | 0 | 0 | 108.6 | | |
| 88 | K | 78.2 | Confident | 74.4 | Confident | 191 Ų | 191 | 138.3 Ų | 138.3 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 136.1 | 176.7 | -68.3 | -176 | -179.2 | 178.8 | 0 | 108 | P86 G90 | P86-K88 PolarHBondContact O-N 3.37Å; K88-G90 PolarHBondContact O-N 2.84Å; K88-G90 VanDerWaalsContact O-N 3.09Å |
| 89 | P | 78.6 | Confident | 75.2 | Confident | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -51 | 123.2 | 173.8 | -23.7 | 31.9 | 0 | 0 | 0 | 108.9 | G91 | P89-G91 PolarHBondContact O-N 2.88Š|
| 90 | G | 76.1 | Confident | 75.8 | Confident | 59 Ų | 59 | 133.6 Ų | 133.6 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 125.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | K88 H92 | K88-G90 PolarHBondContact O-N 2.84Å; K88-G90 VanDerWaalsContact O-N 3.09Å; G90-H92 PolarHBondContact O-N 3.02Å; G90-H92 VanDerWaalsContact O-N 3.07Å; G90-H92 PolarHBondContact O-ND1 2.99Å |
| 91 | G | 75.3 | Confident | 76.1 | Confident | 60 Ų | 60 | 137.1 Ų | 137.1 | 62% | 0.619 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -51 | 120.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P89 H93 | P89-G91 PolarHBondContact O-N 2.88Å; G91-H93 PolarHBondContact O-N 2.95Å |
| 92 | H | 73 | Confident | 76 | Confident | 167 Ų | 167 | 144.4 Ų | 144.4 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -66.3 | 101.6 | 178.5 | -64.2 | -0.2 | 0 | 0 | 0 | 107.1 | G90 R94 | G90-H92 PolarHBondContact O-N 3.02Å; G90-H92 VanDerWaalsContact O-N 3.07Å; G90-H92 PolarHBondContact O-ND1 2.99Å; H92-R94 VanDerWaalsContact C-N 3.3Å; H92-R94 PolarHBondContact O-N 2.99Å |
| 93 | H | 70.5 | Confident | 75.5 | Confident | 167 Ų | 167 | 145.5 Ų | 145.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -57.6 | 101.2 | 167.4 | -61.6 | -65 | 0 | 0 | 0 | 106.3 | G91 H95 | G91-H93 PolarHBondContact O-N 2.95Å; H93-H95 VanDerWaalsContact C-N 3.32Å; H93-H95 PolarHBondContact O-N 2.81Å |
| 94 | R | 72.8 | Confident | 75.2 | Confident | 239 Ų | 239 | 146.7 Ų | 146.7 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | trans | -66.5 | 99.8 | 173.9 | -71.2 | -175.6 | 178.7 | 173.2 | -0.6 | 106.1 | H92 | H92-R94 VanDerWaalsContact C-N 3.3Å; H92-R94 PolarHBondContact O-N 2.99Å |
| 95 | H | 76.4 | Confident | 74.7 | Confident | 164 Ų | 164 | 146.9 Ų | 146.9 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 130.1 | 163.6 | -65.8 | -70.3 | 0 | 0 | 0 | 107.1 | H93 | H93-H95 VanDerWaalsContact C-N 3.32Å; H93-H95 PolarHBondContact O-N 2.81Å |
| 96 | P | 81.4 | Confident | 74.1 | Confident | 110 Ų | 110 | 146.7 Ų | 146.7 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 145.5 | 171.2 | 25.5 | -32.5 | 0 | 0 | 0 | 108.4 | | |
| 97 | P | 81.4 | Confident | 73.3 | Confident | 115 Ų | 115 | 146.7 Ų | 146.7 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 145.2 | 175.9 | 25 | -33.2 | 0 | 0 | 0 | 109.4 | | |
| 98 | P | 79.4 | Confident | 72.4 | Confident | 109 Ų | 109 | 145.7 Ų | 145.7 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 145.9 | 176 | 25.3 | -33.4 | 0 | 0 | 0 | 109.5 | | |
| 99 | P | 80.9 | Confident | 71.7 | Confident | 109 Ų | 109 | 149 Ų | 149 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 148.3 | 176.7 | 25.6 | -33.5 | 0 | 0 | 0 | 110 | F101 | P99-F101 PolarHBondContact O-N 2.82Š|
| 100 | P | 79.6 | Confident | 70.6 | Confident | 114 Ų | 114 | 153.9 Ų | 153.9 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 133.7 | 177.7 | 24.6 | -33 | 0 | 0 | 0 | 109.8 | Q102 | P100-Q102 PolarHBondContact O-N 3.39Š|
| 101 | F | 72.5 | Confident | 69.5 | Low | 189 Ų | 189 | 154.2 Ų | 154.2 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | trans | -56.5 | 112.3 | 172.8 | -73 | -87.6 | 0 | 0 | 0 | 109.4 | P99 N103 | P99-F101 PolarHBondContact O-N 2.82Å; F101-N103 PolarHBondContact O-N 2.83Å |
| 102 | Q | 71.1 | Confident | 68.6 | Low | 183 Ų | 183 | 160.6 Ų | 160.6 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -76.7 | 67.2 | 172.6 | -68.2 | -176.8 | -26 | 0 | 0 | 110.3 | P100 Q104 | P100-Q102 PolarHBondContact O-N 3.39Å; Q102-Q104 PolarHBondContact O-N 3.34Å |
| 103 | N | 62.7 | Low | 67.9 | Low | 152 Ų | 152 | 163.7 Ų | 163.7 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | -78 | 63.9 | 166.2 | -97.4 | -20.6 | 0 | 0 | 0 | 110.1 | F101 | F101-N103 PolarHBondContact O-N 2.83Š|
| 104 | Q | 64.9 | Low | 67.6 | Low | 186 Ų | 186 | 164.4 Ų | 164.4 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | -126.4 | 23.7 | 172.8 | -71.5 | -152.5 | 28.5 | 0 | 0 | 114.2 | Q102 R106 | Q102-Q104 PolarHBondContact O-N 3.34Å; Q104-R106 PolarHBondContact O-N 3.22Å |
| 105 | Q | 61.3 | Low | 67.2 | Low | 192 Ų | 192 | 160.6 Ų | 160.6 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -80.5 | 101.4 | 156.1 | -64.9 | -165.8 | 5.1 | 0 | 0 | 107.4 | | |
| 106 | R | 65.2 | Low | 66.7 | Low | 224 Ų | 224 | 158 Ų | 158 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -36.6 | 141.4 | 168.4 | -69 | 176.5 | -176.4 | 160.6 | 1.3 | 109.5 | Q104 | Q104-R106 PolarHBondContact O-N 3.22Š|
| 107 | P | 61.1 | Low | 66.2 | Low | 111 Ų | 111 | 160.1 Ų | 160.1 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | | | trans | -52.7 | 132.4 | 171.6 | -17.9 | 28.2 | 0 | 0 | 0 | 108.2 | R109 | P107-R109 PolarHBondContact O-N 3.32Å; P107-R109 VanDerWaalsContact O-N 3.13Å |
| 108 | P | 58.3 | Low | 65.5 | Low | 100 Ų | 100 | 159.1 Ų | 159.1 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | | | trans | -55 | 127.7 | 164.8 | 23.3 | -29.9 | 0 | 0 | 0 | 106 | R110 | P108-R110 HydrophobicContact CB-CG 4.49Å; P108-R110 HydrophobicContact CG-CG 4.48Å; P108-R110 PolarHBondContact O-N 3.1Å |
| 109 | R | 62.5 | Low | 65.2 | Low | 260 Ų | 260 | 165.4 Ų | 165.4 | 98% | 0.981 | 81% | 0.808 | S | S | * | * | | | trans | -61.3 | 81 | 171.6 | -81.1 | -170.8 | 164.7 | -166.8 | -3.1 | 108.1 | P107 | P107-R109 PolarHBondContact O-N 3.32Å; P107-R109 VanDerWaalsContact O-N 3.13Å |
| 110 | R | 56.7 | Low | 64.7 | Low | 222 Ų | 222 | 168 Ų | 168 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | trans | -86.4 | 114.9 | 169.9 | -79.9 | -171.5 | 174 | -171.4 | -0.1 | 106.2 | P108 | P108-R110 HydrophobicContact CB-CG 4.49Å; P108-R110 HydrophobicContact CG-CG 4.48Å; P108-R110 PolarHBondContact O-N 3.1Å |
| 111 | G | 52.4 | Low | 64.4 | Low | 65 Ų | 65 | 167.9 Ų | 167.9 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | | | trans | -49.5 | 146 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R113 | G111-R113 PolarHBondContact O-N 2.96Š|
| 112 | H | 56.3 | Low | 64.3 | Low | 194 Ų | 194 | 164.7 Ų | 164.7 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | | | trans | -52.5 | 96.6 | 178 | -52.5 | -79.4 | 0 | 0 | 0 | 111 | | |
| 113 | R | 59.7 | Low | 64 | Low | 232 Ų | 232 | 161.6 Ų | 161.6 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | | | trans | -100.3 | 100.7 | 150.2 | -83.4 | -173.2 | 166 | -168 | -3.7 | 106 | G111 L115 | G111-R113 PolarHBondContact O-N 2.96Å; R113-L115 PolarHBondContact O-N 2.85Å |
| 114 | Q | 63.4 | Low | 64.2 | Low | 182 Ų | 182 | 157.2 Ų | 157.2 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | trans | -59.6 | 101.7 | 168.9 | -72 | -176.7 | -43.4 | 0 | 0 | 107.7 | S116 | Q114-S116 PolarHBondContact O-N 2.85Š|
| 115 | L | 63.3 | Low | 64.1 | Low | 160 Ų | 160 | 155.5 Ų | 155.5 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | -76.7 | 99.1 | 159.4 | -69 | 171.7 | 0 | 0 | 0 | 105.5 | R113 L117 | R113-L115 PolarHBondContact O-N 2.85Å; L115-L117 PolarHBondContact O-N 3.32Å; L115-L117 VanDerWaalsContact O-N 3.14Å |
| 116 | S | 66 | Low | 64.1 | Low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 116.9 | 171.2 | -38.5 | 0 | 0 | 0 | 0 | 107.9 | Q114 | Q114-S116 PolarHBondContact O-N 2.85Š|
| 117 | L | 70.8 | Confident | 63.9 | Low | 156 Ų | 156 | 149.9 Ų | 149.9 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 140.6 | 166.7 | -76.4 | 116.8 | 0 | 0 | 0 | 108.3 | L115 R119 | L115-L117 PolarHBondContact O-N 3.32Å; L115-L117 VanDerWaalsContact O-N 3.14Å; L117-R119 PolarHBondContact O-N 2.89Å; L117-R119 VanDerWaalsContact O-N 3.09Å |
| 118 | P | 67.8 | Low | 63.8 | Low | 94 Ų | 94 | 146.8 Ų | 146.8 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 121.2 | 170.8 | 24.8 | -31.5 | 0 | 0 | 0 | 108.1 | F120 | P118-F120 HydrophobicContact CG-CE2 4.28Å; P118-F120 HydrophobicContact CG-CZ 4.3Å; P118-F120 PolarHBondContact O-N 3.02Å |
| 119 | R | 71.9 | Confident | 64 | Low | 240 Ų | 240 | 145.3 Ų | 145.3 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | | | trans | -76.1 | 104.9 | 175.4 | -173.8 | 173.5 | -175.5 | 150.9 | -0.3 | 107.3 | L117 | L117-R119 PolarHBondContact O-N 2.89Å; L117-R119 VanDerWaalsContact O-N 3.09Å |
| 120 | F | 70.4 | Confident | 63.9 | Low | 164 Ų | 164 | 135.1 Ų | 135.1 | 72% | 0.719 | 71% | 0.707 | S | S | * | * | | | trans | -69.5 | 141.7 | 168.7 | -64.1 | -76.2 | 0 | 0 | 0 | 109.4 | P118 S122 | P118-F120 HydrophobicContact CG-CE2 4.28Å; P118-F120 HydrophobicContact CG-CZ 4.3Å; P118-F120 PolarHBondContact O-N 3.02Å; F120-S122 PolarHBondContact O-N 3.03Å |
| 121 | P | 75.1 | Confident | 64.1 | Low | 111 Ų | 111 | 131.9 Ų | 131.9 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | | | trans | -62 | 134.6 | 172.5 | 26.3 | -32.4 | 0 | 0 | 0 | 109.3 | V123 | P121-V123 PolarHBondContact O-N 3.31Š|
| 122 | S | 70.4 | Confident | 64.5 | Low | 122 Ų | 122 | 137 Ų | 137 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | | | trans | -69.3 | 98.2 | 173.7 | -56.2 | 0 | 0 | 0 | 0 | 108.6 | F120 S124 | F120-S122 PolarHBondContact O-N 3.03Å; S122-S124 PolarHBondContact O-N 3.09Å |
| 123 | V | 63.5 | Low | 64.7 | Low | 119 Ų | 119 | 134.8 Ų | 134.8 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | | | trans | -69.7 | 123.5 | 169.4 | -71.6 | 0 | 0 | 0 | 0 | 108.8 | P121 | P121-V123 PolarHBondContact O-N 3.31Š|
| 124 | S | 67.6 | Low | 64.7 | Low | 60 Ų | 60 | 133.5 Ų | 133.5 | 42% | 0.42 | 69% | 0.689 | S | S | . | * | | | trans | -69.6 | 135.1 | 172.5 | 173.2 | 0 | 0 | 0 | 0 | 109.3 | S122 Q126 E127 A128 | S122-S124 PolarHBondContact O-N 3.09Å; S124-Q126 PolarHBondContact O-N 3.39Å; S124-Q126 WeakPolarHBondContact OG-CB 3.07Å; S124-Q126 PolarHBondContact OG-N 3.16Å; S124-E127 WeakPolarHBondContact O-CB 3.45Å; S124-E127 PolarHBondContact O-N 3.03Å; S124-A128 PolarHBondContact O-N 3.35Å |
| 125 | L | 61.4 | Low | 64.6 | Low | 149 Ų | 149 | 131.5 Ų | 131.5 | 78% | 0.78 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -55.3 | -24.7 | 173.7 | -84.3 | 166.6 | 0 | 0 | 0 | 112.8 | S129 | L125-S129 WeakPolarHBondContact O-CB 3.39Å; L125-S129 PolarHBondContact O-N 3.13Å; L125-S129 VanDerWaalsContact O-N 3.12Å; L125-S129 PolarHBondContact O-OG 3.33Å |
| 126 | Q | 61.8 | Low | 64.5 | Low | 161 Ų | 161 | 132.4 Ų | 132.4 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -66.7 | -36.5 | 176.1 | -126.6 | 167.3 | 12.3 | 0 | 0 | 112.2 | S124 S129 S130 | S124-Q126 PolarHBondContact O-N 3.39Å; S124-Q126 WeakPolarHBondContact OG-CB 3.07Å; S124-Q126 PolarHBondContact OG-N 3.16Å; Q126-S129 PolarHBondContact O-N 3.23Å; Q126-S130 PolarHBondContact O-N 3.4Å |
| 127 | E | 60.9 | Low | 64.4 | Low | 137 Ų | 137 | 132.2 Ų | 132.2 | 64% | 0.64 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.4 | -41.8 | -179.6 | -157.8 | 162.4 | 137.1 | 0 | 0 | 111 | S124 S129 S130 F131 | S124-E127 WeakPolarHBondContact O-CB 3.45Å; S124-E127 PolarHBondContact O-N 3.03Å; E127-S129 VanDerWaalsContact C-N 3.26Å; E127-S129 PolarHBondContact O-N 3.35Å; E127-S130 PolarHBondContact O-N 2.81Å; E127-S130 PolarHBondContact O-OG 3.21Å; E127-F131 PolarHBondContact O-N 3.37Å |
| 128 | A | 60 | Low | 64.1 | Low | 47 Ų | 47 | 129.7 Ų | 129.7 | 39% | 0.388 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -58.5 | -38.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S124 F131 F132 | S124-A128 PolarHBondContact O-N 3.35Å; A128-F131 WeakPolarHBondContact O-CB 3.42Å; A128-F131 PolarHBondContact O-N 2.99Å; A128-F132 WeakPolarHBondContact O-CD2 3.48Å |
| 129 | S | 61 | Low | 63.9 | Low | 68 Ų | 68 | 135.4 Ų | 135.4 | 48% | 0.476 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -68.5 | -34.1 | 179.3 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | L125 Q126 E127 F131 F132 Q133 | L125-S129 WeakPolarHBondContact O-CB 3.39Å; L125-S129 PolarHBondContact O-N 3.13Å; L125-S129 VanDerWaalsContact O-N 3.12Å; L125-S129 PolarHBondContact O-OG 3.33Å; Q126-S129 PolarHBondContact O-N 3.23Å; E127-S129 VanDerWaalsContact C-N 3.26Å; E127-S129 PolarHBondContact O-N 3.35Å; S129-F131 VanDerWaalsContact C-N 3.31Å; S129-F131 PolarHBondContact O-N 3.18Å; S129-F132 PolarHBondContact O-N 2.93Å; S129-Q133 PolarHBondContact O-N 2.85Å |
| 130 | S | 60.7 | Low | 63.3 | Low | 47 Ų | 47 | 131.5 Ų | 131.5 | 33% | 0.329 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -69.3 | -28.5 | 177.8 | 75.2 | 0 | 0 | 0 | 0 | 113.3 | Q126 E127 F132 Q133 R134 | Q126-S130 PolarHBondContact O-N 3.4Å; E127-S130 PolarHBondContact O-N 2.81Å; E127-S130 PolarHBondContact O-OG 3.21Å; S130-F132 VanDerWaalsContact C-N 3.3Å; S130-F132 PolarHBondContact O-N 2.98Å; S130-Q133 PolarHBondContact O-N 3.29Å; S130-R134 PolarHBondContact O-N 2.95Å |
| 131 | F | 60.4 | Low | 62.8 | Low | 153 Ų | 153 | 129 Ų | 129 | 67% | 0.671 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -62.6 | -39.1 | 177.7 | -138.8 | -84.8 | 0 | 0 | 0 | 111.3 | E127 A128 S129 | E127-F131 PolarHBondContact O-N 3.37Å; A128-F131 WeakPolarHBondContact O-CB 3.42Å; A128-F131 PolarHBondContact O-N 2.99Å; S129-F131 VanDerWaalsContact C-N 3.31Å; S129-F131 PolarHBondContact O-N 3.18Å |
| 132 | F | 61.6 | Low | 61.8 | Low | 172 Ų | 172 | 132.5 Ų | 132.5 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -80.7 | -12.5 | 177.4 | -64.5 | -77.1 | 0 | 0 | 0 | 114 | A128 S129 S130 | A128-F132 WeakPolarHBondContact O-CD2 3.48Å; S129-F132 PolarHBondContact O-N 2.93Å; S130-F132 VanDerWaalsContact C-N 3.3Å; S130-F132 PolarHBondContact O-N 2.98Å |
| 133 | Q | 60.6 | Low | 61.2 | Low | 149 Ų | 149 | 135.5 Ų | 135.5 | 70% | 0.696 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -88.1 | -25.8 | 178.8 | -76 | -169.8 | -14.3 | 0 | 0 | 113.6 | S129 S130 D135 R136 | S129-Q133 PolarHBondContact O-N 2.85Å; S130-Q133 PolarHBondContact O-N 3.29Å; Q133-D135 PolarHBondContact O-N 2.92Å; Q133-R136 PolarHBondContact O-N 2.89Å |
| 134 | R | 60.7 | Low | 61.2 | Low | 205 Ų | 205 | 138.4 Ų | 138.4 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -28.3 | 179.4 | -87 | -174.2 | -167.9 | 148.7 | 6.4 | 113.7 | S130 | S130-R134 PolarHBondContact O-N 2.95Š|
| 135 | D | 60.5 | Low | 60.8 | Low | 140 Ų | 140 | 140.5 Ų | 140.5 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 18.2 | -177.3 | -70.4 | -34.6 | 0 | 0 | 0 | 113.6 | Q133 P137 | Q133-D135 PolarHBondContact O-N 2.92Å; D135-P137 WeakPolarHBondContact O-CD 3.42Å |
| 136 | R | 61.6 | Low | 60.6 | Low | 178 Ų | 178 | 141.8 Ų | 141.8 | 67% | 0.672 | 71% | 0.708 | S | S | * | * | | | trans | -80 | 109.9 | 173.2 | -168.9 | 174.1 | -175.8 | 166.6 | 0.6 | 109.2 | Q133 A138 | Q133-R136 PolarHBondContact O-N 2.89Å; R136-A138 PolarHBondContact O-N 3.27Å |
| 137 | P | 62.7 | Low | 60.4 | Low | 105 Ų | 105 | 148.6 Ų | 148.6 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 136.9 | 171 | 24.8 | -32.2 | 0 | 0 | 0 | 109 | D135 R139 | D135-P137 WeakPolarHBondContact O-CD 3.42Å; P137-R139 PolarHBondContact O-N 2.97Å |
| 138 | A | 64.8 | Low | 60.4 | Low | 103 Ų | 103 | 149.2 Ų | 149.2 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 116.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | R136 H140 | R136-A138 PolarHBondContact O-N 3.27Å; A138-H140 PolarHBondContact O-N 2.69Å; A138-H140 VanDerWaalsContact O-N 3.16Å |
| 139 | R | 64.4 | Low | 60.4 | Low | 214 Ų | 214 | 154.6 Ų | 154.6 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122 | 172.5 | -74.4 | -144.1 | -174.7 | 169.4 | 1.6 | 107.3 | P137 | P137-R139 PolarHBondContact O-N 2.97Š|
| 140 | H | 59.3 | Low | 60.4 | Low | 157 Ų | 157 | 159.4 Ų | 159.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 138.8 | 165.9 | -165.8 | -84.7 | 0 | 0 | 0 | 108.8 | A138 Q142 | A138-H140 PolarHBondContact O-N 2.69Å; A138-H140 VanDerWaalsContact O-N 3.16Å; H140-Q142 VanDerWaalsContact C-N 3.27Å; H140-Q142 PolarHBondContact O-N 3.47Å |
| 141 | P | 59.7 | Low | 60.4 | Low | 113 Ų | 113 | 166 Ų | 166 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -65.6 | 96.7 | 170.1 | 24.9 | -26.9 | 0 | 0 | 0 | 106.8 | | |
| 142 | Q | 54 | Low | 60.4 | Low | 183 Ų | 183 | 166.8 Ų | 166.8 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -82.1 | 122.3 | 172 | -165.9 | 161 | -6.5 | 0 | 0 | 106.5 | H140 | H140-Q142 VanDerWaalsContact C-N 3.27Å; H140-Q142 PolarHBondContact O-N 3.47Å |
| 143 | E | 58.6 | Low | 60.3 | Low | 185 Ų | 185 | 166.5 Ų | 166.5 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -42.2 | 135.7 | -169.9 | -58.2 | -171.1 | 135.6 | 0 | 0 | 113.5 | | |
| 144 | Q | 62.9 | Low | 60.3 | Low | 181 Ų | 181 | 167.7 Ų | 167.7 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69 | 140.5 | 167.9 | -62.1 | -171.2 | 15.4 | 0 | 0 | 108.7 | L146 | Q144-L146 PolarHBondContact O-N 3.41Š|
| 145 | P | 58.7 | Low | 60.2 | Low | 104 Ų | 104 | 164.8 Ų | 164.8 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 121.4 | 169.8 | 26.8 | -30.3 | 0 | 0 | 0 | 108.7 | W147 | P145-W147 PolarHBondContact O-N 3.04Š|
| 146 | L | 57.2 | Low | 60.2 | Low | 176 Ų | 176 | 166.9 Ų | 166.9 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 117.6 | 165.4 | -159.3 | 78.1 | 0 | 0 | 0 | 106.6 | Q144 | Q144-L146 PolarHBondContact O-N 3.41Š|
| 147 | W | 58.6 | Low | 60.1 | Low | 304 Ų | 304 | 165.9 Ų | 165.9 | 100% | 1.152 | 83% | 0.829 | S | S | * | * | | | trans | -71 | 0 | 170.7 | -66.2 | 88.2 | 0 | 0 | 0 | 110.6 | P145 | P145-W147 PolarHBondContact O-N 3.04Š|