| 1 | M | 38.3 | Very low | 48.2 | Very low | 230 Ų | 230 | 154.2 Ų | 154.2 | 100% | 1.133 | 84% | 0.842 | S | S | * | * | | | | 0 | 128.6 | 0 | -82.4 | 135.9 | 74.3 | 0 | 0 | 108.9 | | |
| 2 | N | 44.3 | Very low | 48.2 | Very low | 157 Ų | 157 | 154.1 Ų | 154.1 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | | | trans | 76 | 107.7 | 149.2 | -58.7 | 4.9 | 0 | 0 | 0 | 121 | | |
| 3 | N | 42.4 | Very low | 48.1 | Very low | 163 Ų | 163 | 153.6 Ų | 153.6 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | | | trans | -57.9 | 150.7 | 153.1 | -77 | -57.8 | 0 | 0 | 0 | 113.5 | | |
| 4 | S | 49.8 | Very low | 48.7 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | | | | -178.7 | 109.4 | 124.1 | 55.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 5 | G | 46.5 | Very low | 48.7 | Very low | 67 Ų | 67 | 152.1 Ų | 152.1 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | | | cis | 115.9 | 71.9 | 41.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | M7 | G5-M7 PolarHBondContact O-N 3.15Š|
| 6 | V | 52.7 | Low | 49.3 | Very low | 144 Ų | 144 | 152 Ų | 152 | 87% | 0.873 | 81% | 0.812 | S | S | * | * | | | trans | -77.4 | 111.5 | 173.9 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | P8 | V6-P8 WeakPolarHBondContact O-CD 3.44Š|
| 7 | M | 50.8 | Low | 49 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 83% | 0.833 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 123 | 176.3 | -67.3 | -65.9 | -68.8 | 0 | 0 | 109.6 | G5 | G5-M7 PolarHBondContact O-N 3.15Š|
| 8 | P | 52.9 | Low | 49.3 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 140 | 171.6 | 29.8 | -30.3 | 0 | 0 | 0 | 110.5 | V6 E10 | V6-P8 WeakPolarHBondContact O-CD 3.44Å; P8-E10 PolarHBondContact O-N 3.47Å |
| 9 | Q | 49.3 | Very low | 49.2 | Very low | 199 Ų | 199 | 152.1 Ų | 152.1 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 120 | 172.8 | -74 | -167.2 | -4.6 | 0 | 0 | 110.3 | | |
| 10 | E | 50.8 | Low | 49.2 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | | | trans | -106.2 | 114.8 | 167.4 | -170.1 | 177.4 | 170.1 | 0 | 0 | 109.3 | P8 M12 | P8-E10 PolarHBondContact O-N 3.47Å; E10-M12 PolarHBondContact O-N 3.45Å |
| 11 | K | 52 | Low | 49 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 67% | 0.674 | 81% | 0.811 | S | S | * | * | | | trans | -73.8 | 99.6 | 174.7 | 179.5 | -168.3 | -179.3 | -124.1 | 0 | 108.3 | E13 | K11-E13 IonicContact NZ-OE1 2.98Å; K11-E13 PolarHBondContact NZ-OE1 2.98Å; K11-E13 IonicContact NZ-OE2 2.69Å; K11-E13 PolarHBondContact NZ-OE2 3.29Å; K11-E13 PolarHBondContact O-N 2.69Å |
| 12 | M | 49.1 | Very low | 49.3 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -86.3 | 93.4 | 169.9 | -171.9 | 175.8 | -83.1 | 0 | 0 | 109.3 | E10 L14 | E10-M12 PolarHBondContact O-N 3.45Å; M12-L14 HydrophobicContact CG-CD2 4.25Å; M12-L14 HydrophobicContact CG-CG 4.22Å; M12-L14 HydrophobicContact SD-CD2 4.38Å |
| 13 | E | 47.1 | Very low | 49.5 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | | | trans | -80.3 | 112.8 | 170 | -166.7 | 163.1 | -137.2 | 0 | 0 | 107.6 | K11 | K11-E13 IonicContact NZ-OE1 2.98Å; K11-E13 PolarHBondContact NZ-OE1 2.98Å; K11-E13 IonicContact NZ-OE2 2.69Å; K11-E13 PolarHBondContact NZ-OE2 3.29Å; K11-E13 PolarHBondContact O-N 2.69Å |
| 14 | L | 56.3 | Low | 49.8 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | | | trans | -98.2 | 106.2 | 175.1 | -71.8 | 174.8 | 0 | 0 | 0 | 108.8 | M12 | M12-L14 HydrophobicContact CG-CD2 4.25Å; M12-L14 HydrophobicContact CG-CG 4.22Å; M12-L14 HydrophobicContact SD-CD2 4.38Å |
| 15 | D | 49.1 | Very low | 49.3 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | -79.1 | 110.8 | 172.6 | -151.7 | 11.4 | 0 | 0 | 0 | 108.3 | | |
| 16 | L | 57.1 | Low | 49.4 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -122.6 | 96.9 | 173.6 | -115.8 | 76.9 | 0 | 0 | 0 | 108.7 | | |
| 17 | E | 44.4 | Very low | 49.4 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -53.8 | 132.7 | 171.9 | -64.3 | -179.9 | 157.1 | 0 | 0 | 111.3 | | |
| 18 | I | 55.1 | Low | 49.7 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | -94.1 | 121 | 179.5 | -60.5 | 167.3 | 0 | 0 | 0 | 108.4 | A20 | I18-A20 PolarHBondContact O-N 3.3Å; I18-A20 VanDerWaalsContact O-N 3.15Å |
| 19 | P | 47.2 | Very low | 49.6 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -75.9 | 104.6 | 164.5 | -12.7 | 28.6 | 0 | 0 | 0 | 109.5 | A21 | P19-A21 PolarHBondContact O-N 2.97Š|
| 20 | A | 48.9 | Very low | 50.2 | Low | 97 Ų | 97 | 144.5 Ų | 144.5 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -80.2 | 104.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | I18 | I18-A20 PolarHBondContact O-N 3.3Å; I18-A20 VanDerWaalsContact O-N 3.15Å |
| 21 | A | 44.1 | Very low | 50.6 | Low | 97 Ų | 97 | 146 Ų | 146 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | 178.7 | 137.7 | 141.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P19 | P19-A21 PolarHBondContact O-N 2.97Š|
| 22 | L | 45.2 | Very low | 50.5 | Low | 160 Ų | 160 | 144.2 Ų | 144.2 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | 85.4 | 80.5 | 167.7 | -138 | 73.2 | 0 | 0 | 0 | 115.2 | | |
| 23 | V | 49.7 | Very low | 51.1 | Low | 116 Ų | 116 | 144.3 Ų | 144.3 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | | | | 59.5 | 121 | 73.3 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 24 | Q | 46.9 | Very low | 51.8 | Low | 179 Ų | 179 | 142.4 Ų | 142.4 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | 89.9 | 95.5 | 171.9 | -52.6 | -178.6 | -5.5 | 0 | 0 | 116 | | |
| 25 | S | 40.4 | Very low | 52.1 | Low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | | | | 161.2 | 111.6 | 99.2 | 64.8 | 0 | 0 | 0 | 0 | 109.2 | G27 | S25-G27 PolarHBondContact O-N 2.79Š|
| 26 | D | 48.6 | Very low | 52.6 | Low | 169 Ų | 169 | 138.4 Ų | 138.4 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | | | | 23.9 | 100.3 | 128.9 | -48.3 | -17 | 0 | 0 | 0 | 115.5 | | |
| 27 | G | 53.3 | Low | 53 | Low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | trans | 171.5 | 94.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S25 | S25-G27 PolarHBondContact O-N 2.79Š|
| 28 | H | 57.1 | Low | 53.7 | Low | 157 Ų | 157 | 136.9 Ų | 136.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | 80.9 | 46.3 | 138.8 | -144.3 | 77.3 | 0 | 0 | 0 | 118.7 | R30 | H28-R30 WeakPolarHBondContact CD2-CG 3.02Å; H28-R30 VanDerWaalsContact CE1-CD 3.44Å; H28-R30 WeakPolarHBondContact CE1-CD 3.46Å; H28-R30 WeakPolarHBondContact CE1-CG 3.31Å; H28-R30 WeakPolarHBondContact NE2-CG 3.4Å; H28-R30 PolarHBondContact O-N 3.36Å |
| 29 | L | 50.9 | Low | 53.8 | Low | 159 Ų | 159 | 136 Ų | 136 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -69.6 | 87.5 | 146.9 | -92.4 | 152.7 | 0 | 0 | 0 | 108.5 | R31 | L29-R31 HydrophobicContact CB-CG 4.49Å; L29-R31 HydrophobicContact CD2-CG 4.42Å; L29-R31 PolarHBondContact O-N 3.46Å |
| 30 | R | 61.9 | Low | 54.1 | Low | 201 Ų | 201 | 133 Ų | 133 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | | | trans | -68.9 | 68.1 | 166.2 | -74.1 | -78.8 | -80.7 | 171.1 | -0.8 | 109.8 | H28 S32 | H28-R30 WeakPolarHBondContact CD2-CG 3.02Å; H28-R30 VanDerWaalsContact CE1-CD 3.44Å; H28-R30 WeakPolarHBondContact CE1-CD 3.46Å; H28-R30 WeakPolarHBondContact CE1-CG 3.31Å; H28-R30 WeakPolarHBondContact NE2-CG 3.4Å; H28-R30 PolarHBondContact O-N 3.36Å; R30-S32 PolarHBondContact O-N 2.87Å |
| 31 | R | 57.9 | Low | 54.5 | Low | 210 Ų | 210 | 135.5 Ų | 135.5 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | trans | -70.4 | 109.7 | 158.1 | -62.1 | -178.6 | 76.4 | -115.5 | 3.4 | 105.3 | L29 N33 | L29-R31 HydrophobicContact CB-CG 4.49Å; L29-R31 HydrophobicContact CD2-CG 4.42Å; L29-R31 PolarHBondContact O-N 3.46Å; R31-N33 PolarHBondContact O-N 3.24Å |
| 32 | S | 50.2 | Low | 55 | Low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -52.4 | 101.1 | 175.7 | -47.7 | 0 | 0 | 0 | 0 | 109.3 | R30 | R30-S32 PolarHBondContact O-N 2.87Š|
| 33 | N | 61.8 | Low | 55.5 | Low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -88.3 | 100.7 | 170 | -176.2 | -15.5 | 0 | 0 | 0 | 107.2 | R31 | R31-N33 PolarHBondContact O-N 3.24Š|
| 34 | S | 62.5 | Low | 55.8 | Low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | -152.4 | 70.1 | 169.1 | 64.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 35 | A | 62.2 | Low | 56 | Low | 78 Ų | 78 | 132.6 Ų | 132.6 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | | | trans | -124 | 121.4 | 144.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | M37 | A35-M37 PolarHBondContact O-N 3.39Š|
| 36 | P | 59.9 | Low | 56.4 | Low | 123 Ų | 123 | 134.6 Ų | 134.6 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | | | trans | -66.5 | 123.7 | 176.3 | 27 | -30.2 | 0 | 0 | 0 | 108 | I38 | P36-I38 PolarHBondContact O-N 3.19Š|
| 37 | M | 63.8 | Low | 56.5 | Low | 161 Ų | 161 | 132 Ų | 132 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | | | trans | -57.9 | 107.4 | 161.3 | -83.5 | 171.1 | 39.7 | 0 | 0 | 107.4 | A35 N39 | A35-M37 PolarHBondContact O-N 3.39Å; M37-N39 PolarHBondContact O-N 3.17Å |
| 38 | I | 59.3 | Low | 56.4 | Low | 133 Ų | 133 | 137.3 Ų | 137.3 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | trans | -76.7 | 96.3 | 166.4 | 179.3 | 169.2 | 0 | 0 | 0 | 106.9 | P36 G40 L41 | P36-I38 PolarHBondContact O-N 3.19Å; I38-G40 PolarHBondContact O-N 3.33Å; I38-L41 HydrophobicContact CD1-CD2 3.94Å; I38-L41 HydrophobicContact CD1-CG 4.28Å |
| 39 | N | 58.3 | Low | 55.7 | Low | 134 Ų | 134 | 137.2 Ų | 137.2 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | | | trans | -66.7 | 115.5 | 169.8 | -82.5 | 68.6 | 0 | 0 | 0 | 109.2 | M37 | M37-N39 PolarHBondContact O-N 3.17Š|
| 40 | G | 53.4 | Low | 55.4 | Low | 66 Ų | 66 | 140.3 Ų | 140.3 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | | | trans | 68 | 86 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | I38 S42 | I38-G40 PolarHBondContact O-N 3.33Å; G40-S42 VanDerWaalsContact C-N 3.32Å; G40-S42 PolarHBondContact O-N 3.23Å; G40-S42 VanDerWaalsContact O-N 3.14Å |
| 41 | L | 58.1 | Low | 54.8 | Low | 149 Ų | 149 | 137.7 Ų | 137.7 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | -73 | 94.2 | 150.7 | -61 | 176.5 | 0 | 0 | 0 | 106.8 | I38 | I38-L41 HydrophobicContact CD1-CD2 3.94Å; I38-L41 HydrophobicContact CD1-CG 4.28Å |
| 42 | S | 53.3 | Low | 54 | Low | 96 Ų | 96 | 134.1 Ų | 134.1 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | | | trans | -79 | 132.4 | 168.2 | 65.7 | 0 | 0 | 0 | 0 | 109.2 | G40 N44 | G40-S42 VanDerWaalsContact C-N 3.32Å; G40-S42 PolarHBondContact O-N 3.23Å; G40-S42 VanDerWaalsContact O-N 3.14Å; S42-N44 PolarHBondContact O-N 3.42Å |
| 43 | D | 56.3 | Low | 53.7 | Low | 160 Ų | 160 | 134.7 Ų | 134.7 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -67.8 | 47.3 | -175.6 | -69.2 | -39.1 | 0 | 0 | 0 | 115.6 | | |
| 44 | N | 54.9 | Low | 52.9 | Low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | trans | -118.9 | 74.8 | 169.4 | -71.3 | -42.6 | 0 | 0 | 0 | 109 | S42 Q46 | S42-N44 PolarHBondContact O-N 3.42Å; N44-Q46 PolarHBondContact O-N 2.98Å |
| 45 | A | 51.8 | Low | 51.8 | Low | 92 Ų | 92 | 139.6 Ų | 139.6 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | trans | -62 | 93.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V47 | A45-V47 PolarHBondContact O-N 3.18Š|
| 46 | Q | 49.4 | Very low | 51.1 | Low | 144 Ų | 144 | 147.7 Ų | 147.7 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | | | trans | -69.7 | 93.4 | 151.7 | -86.2 | -178.1 | 5.6 | 0 | 0 | 106.8 | N44 F48 Q49 | N44-Q46 PolarHBondContact O-N 2.98Å; Q46-F48 PolarHBondContact O-N 3.21Å; Q46-Q49 HydrophobicContact CB-CG 4.43Å; Q46-Q49 VanDerWaalsContact OE1-NE2 3.07Å |
| 47 | V | 49.6 | Very low | 50.7 | Low | 114 Ų | 114 | 152.3 Ų | 152.3 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -61.3 | 4.4 | -178.3 | 114.2 | 0 | 0 | 0 | 0 | 113.7 | A45 | A45-V47 PolarHBondContact O-N 3.18Š|
| 48 | F | 52.3 | Low | 49.8 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | | | trans | -149.4 | 94.6 | 170.9 | -62.9 | -75 | 0 | 0 | 0 | 111.4 | Q46 | Q46-F48 PolarHBondContact O-N 3.21Š|
| 49 | Q | 41.6 | Very low | 49.2 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -126 | 116.4 | 156.8 | -74.5 | -71.2 | -12.9 | 0 | 0 | 109 | Q46 | Q46-Q49 HydrophobicContact CB-CG 4.43Å; Q46-Q49 VanDerWaalsContact OE1-NE2 3.07Å |
| 50 | R | 44.1 | Very low | 48.6 | Very low | 225 Ų | 225 | 148.5 Ų | 148.5 | 85% | 0.849 | 76% | 0.763 | S | S | * | * | | | trans | -65.7 | 124.7 | -176.1 | 177.7 | -176.9 | -70.7 | 126.3 | -3.1 | 110.1 | | |
| 51 | E | 49.8 | Very low | 48.5 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | trans | 55.4 | 102.7 | 151.1 | -162.1 | 166.5 | -160.6 | 0 | 0 | 117.7 | L53 | E51-L53 HydrophobicContact CG-CG 4.22Š|
| 52 | V | 41 | Very low | 48.1 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | trans | -125.6 | 87.2 | 158.9 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | R54 | V52-R54 PolarHBondContact O-N 3.14Å; V52-R54 VanDerWaalsContact O-N 3.13Å |
| 53 | L | 44.3 | Very low | 47.9 | Very low | 129 Ų | 129 | 152.2 Ų | 152.2 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | | | trans | -54.8 | 113.2 | 160.8 | -63.2 | 171.5 | 0 | 0 | 0 | 108 | E51 C55 | E51-L53 HydrophobicContact CG-CG 4.22Å; L53-C55 VanDerWaalsContact C-N 3.31Å; L53-C55 PolarHBondContact O-N 3.31Å |
| 54 | R | 45.8 | Very low | 47.4 | Very low | 248 Ų | 248 | 152.4 Ų | 152.4 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | | | trans | -63.8 | 91.1 | 171.4 | -94.4 | -174.4 | 167.5 | 88.8 | -3.2 | 109.1 | V52 R56 | V52-R54 PolarHBondContact O-N 3.14Å; V52-R54 VanDerWaalsContact O-N 3.13Å; R54-R56 PolarHBondContact O-N 3.23Å |
| 55 | C | 39.5 | Very low | 47 | Very low | 116 Ų | 116 | 156.6 Ų | 156.6 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | trans | -71.3 | 113.1 | 167.2 | -71.5 | 0 | 0 | 0 | 0 | 109.5 | L53 R57 | L53-C55 VanDerWaalsContact C-N 3.31Å; L53-C55 PolarHBondContact O-N 3.31Å; C55-R57 PolarHBondContact O-N 2.85Å |
| 56 | R | 45.7 | Very low | 47.2 | Very low | 249 Ų | 249 | 157.9 Ų | 157.9 | 94% | 0.94 | 78% | 0.781 | S | S | * | * | | | trans | -60.5 | 100.9 | 170.4 | 179 | 177.4 | 163.3 | -127 | -0.1 | 109.3 | R54 N58 | R54-R56 PolarHBondContact O-N 3.23Å; R56-N58 PolarHBondContact O-N 3.23Å |
| 57 | R | 52.1 | Low | 47.4 | Very low | 219 Ų | 219 | 158.4 Ų | 158.4 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | -66.3 | 108.8 | 179.2 | -170.4 | 175.1 | 173.9 | 103.1 | -2.6 | 110.1 | C55 | C55-R57 PolarHBondContact O-N 2.85Š|
| 58 | N | 45.7 | Very low | 47.3 | Very low | 144 Ų | 144 | 161.8 Ų | 161.8 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | -79.7 | 116.6 | 158.5 | -179 | -81 | 0 | 0 | 0 | 106.9 | R56 T60 | R56-N58 PolarHBondContact O-N 3.23Å; N58-T60 PolarHBondContact O-N 3.01Å |
| 59 | S | 45.3 | Very low | 47.3 | Very low | 97 Ų | 97 | 159 Ų | 159 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | trans | -79.6 | 107.7 | -177.4 | -55.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 60 | T | 47 | Very low | 47.5 | Very low | 108 Ų | 108 | 157.7 Ų | 157.7 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | | | trans | -114.2 | 120.7 | 147.9 | 158.5 | 0 | 0 | 0 | 0 | 106.7 | N58 V62 | N58-T60 PolarHBondContact O-N 3.01Å; T60-V62 PolarHBondContact O-N 2.79Å; T60-V62 VanDerWaalsContact O-N 3.17Å |
| 61 | T | 51.5 | Low | 47.7 | Very low | 134 Ų | 134 | 152 Ų | 152 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -74.1 | 99.7 | -178.9 | 48.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 62 | V | 48.8 | Very low | 47.4 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | -99.1 | 111.6 | 164.9 | -174.5 | 0 | 0 | 0 | 0 | 107.3 | T60 | T60-V62 PolarHBondContact O-N 2.79Å; T60-V62 VanDerWaalsContact O-N 3.17Å |
| 63 | V | 50.1 | Low | 48.1 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -58.2 | 138.1 | 174 | -71.8 | 0 | 0 | 0 | 0 | 110.8 | R65 | V63-R65 PolarHBondContact O-N 3.03Š|
| 64 | N | 45.4 | Very low | 48.6 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | -21.8 | 119.6 | 175.9 | -92.1 | -45.3 | 0 | 0 | 0 | 116.3 | | |
| 65 | R | 46.8 | Very low | 49.3 | Very low | 232 Ų | 232 | 150 Ų | 150 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | | | trans | -128.4 | 127.5 | 147 | -73.8 | -172.8 | 176.2 | -137.3 | -0.7 | 108 | V63 | V63-R65 PolarHBondContact O-N 3.03Š|
| 66 | P | 55.2 | Low | 50.3 | Low | 119 Ų | 119 | 147 Ų | 147 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -75.5 | 141.8 | 172 | 31.8 | -29.4 | 0 | 0 | 0 | 108.8 | | |
| 67 | N | 53.4 | Low | 51.1 | Low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | | | trans | 67.9 | 94.2 | -177.8 | -67.6 | 9.6 | 0 | 0 | 0 | 115.9 | | |
| 68 | M | 48.2 | Very low | 51.7 | Low | 186 Ų | 186 | 132.2 Ų | 132.2 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | | | trans | -151.5 | 125.9 | 133.9 | -76.7 | -132.6 | 87.6 | 0 | 0 | 109.9 | | |
| 69 | V | 52.4 | Low | 52.9 | Low | 124 Ų | 124 | 130.1 Ų | 130.1 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | | | trans | -56.2 | 137 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 110 | S71 | V69-S71 PolarHBondContact O-N 3.14Š|
| 70 | P | 46.3 | Very low | 54.7 | Low | 127 Ų | 127 | 133.1 Ų | 133.1 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | | | trans | -76.1 | 93.3 | 172.8 | 30.9 | -30.6 | 0 | 0 | 0 | 108.9 | S72 | P70-S72 PolarHBondContact O-N 3.01Š|
| 71 | S | 46.9 | Very low | 56.4 | Low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | | | trans | -81.9 | 108 | 168.7 | 56.8 | 0 | 0 | 0 | 0 | 110.8 | V69 | V69-S71 PolarHBondContact O-N 3.14Š|
| 72 | S | 43.3 | Very low | 57.7 | Low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | | | trans | 81.5 | 141.4 | 147.6 | -50.9 | 0 | 0 | 0 | 0 | 119.6 | P70 | P70-S72 PolarHBondContact O-N 3.01Š|
| 73 | P | 57.3 | Low | 59.3 | Low | 119 Ų | 119 | 131.3 Ų | 131.3 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -77.6 | 141.3 | -175.5 | 33 | -33.3 | 0 | 0 | 0 | 111.4 | R75 | P73-R75 PolarHBondContact O-N 3.01Å; P73-R75 VanDerWaalsContact O-N 3.16Å |
| 74 | I | 55 | Low | 60.6 | Low | 161 Ų | 161 | 128.7 Ų | 128.7 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | | | trans | 10.8 | 89.7 | 159.7 | -56.2 | 170 | 0 | 0 | 0 | 113.7 | V76 | I74-V76 PolarHBondContact O-N 3.28Š|
| 75 | R | 58.9 | Low | 62 | Low | 230 Ų | 230 | 128.3 Ų | 128.3 | 87% | 0.868 | 67% | 0.674 | S | S | * | * | | | trans | -70.7 | 93.7 | 169.7 | -175.7 | 175.2 | -70 | 169 | -1.2 | 108.3 | P73 | P73-R75 PolarHBondContact O-N 3.01Å; P73-R75 VanDerWaalsContact O-N 3.16Å |
| 76 | V | 60.7 | Low | 63 | Low | 55 Ų | 55 | 123.1 Ų | 123.1 | 33% | 0.333 | 66% | 0.66 | S | S | . | * | | | trans | -54.2 | 128.7 | 162 | -178.1 | 0 | 0 | 0 | 0 | 106.3 | I74 S78 R80 L81 | I74-V76 PolarHBondContact O-N 3.28Å; V76-S78 PolarHBondContact O-N 3.33Å; V76-S78 VanDerWaalsContact O-N 3.1Å; V76-R80 HydrophobicContact CG1-CB 4.08Å; V76-R80 HydrophobicContact CG1-CG 4.4Å; V76-L81 HydrophobicContact CB-CD1 4.09Å; V76-L81 HydrophobicContact CB-CG 4.14Å; V76-L81 HydrophobicContact CG1-CD1 4.35Å; V76-L81 HydrophobicContact CG1-CD2 4.34Å; V76-L81 HydrophobicContact CG1-CG 3.84Å |
| 77 | P | 62.9 | Low | 63.6 | Low | 80 Ų | 80 | 123.4 Ų | 123.4 | 52% | 0.519 | 65% | 0.651 | S | S | . | * | | | trans | -52.4 | 125 | 177 | -23.4 | 32.1 | 0 | 0 | 0 | 108.2 | T79 R80 | P77-T79 PolarHBondContact O-N 2.85Å; P77-R80 PolarHBondContact O-N 2.89Å |
| 78 | S | 64.2 | Low | 64.3 | Low | 77 Ų | 77 | 123.1 Ų | 123.1 | 54% | 0.538 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -51.3 | -26.8 | -177.1 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | V76 H82 | V76-S78 PolarHBondContact O-N 3.33Å; V76-S78 VanDerWaalsContact O-N 3.1Å; S78-H82 WeakPolarHBondContact O-CB 3.48Å; S78-H82 VanDerWaalsContact O-CG 3.25Å; S78-H82 PolarHBondContact O-N 3.13Å; S78-H82 PolarHBondContact O-ND1 2.87Å; S78-H82 VanDerWaalsContact O-ND1 3.13Å |
| 79 | T | 72.1 | Confident | 65.3 | Low | 99 Ų | 99 | 116.3 Ų | 116.3 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -60.8 | -40.4 | 173.8 | 55.1 | 0 | 0 | 0 | 0 | 114 | P77 Q83 | P77-T79 PolarHBondContact O-N 2.85Å; T79-Q83 VanDerWaalsContact O-CB 3.31Å; T79-Q83 WeakPolarHBondContact O-CB 3.47Å; T79-Q83 PolarHBondContact O-N 2.99Å |
| 80 | R | 82.1 | Confident | 65.8 | Low | 160 Ų | 160 | 114.7 Ų | 114.7 | 60% | 0.604 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.1 | -40.1 | 178.9 | -177.3 | 178.8 | 177 | -177.5 | -0.9 | 111.6 | V76 P77 Q83 I84 | V76-R80 HydrophobicContact CG1-CB 4.08Å; V76-R80 HydrophobicContact CG1-CG 4.4Å; P77-R80 PolarHBondContact O-N 2.89Å; R80-Q83 PolarHBondContact O-N 3.33Å; R80-I84 HydrophobicContact CG-CD1 3.96Å; R80-I84 WeakPolarHBondContact O-CD1 3.31Å; R80-I84 VanDerWaalsContact O-CG1 3.23Å; R80-I84 WeakPolarHBondContact O-CG1 3.45Å; R80-I84 PolarHBondContact O-N 3.36Å |
| 81 | L | 83.5 | Confident | 66.7 | Low | 97 Ų | 97 | 112.9 Ų | 112.9 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.9 | -41.5 | 176.4 | -73.8 | 173.6 | 0 | 0 | 0 | 111.5 | V76 Q83 I84 K85 | V76-L81 HydrophobicContact CB-CD1 4.09Å; V76-L81 HydrophobicContact CB-CG 4.14Å; V76-L81 HydrophobicContact CG1-CD1 4.35Å; V76-L81 HydrophobicContact CG1-CD2 4.34Å; V76-L81 HydrophobicContact CG1-CG 3.84Å; L81-Q83 VanDerWaalsContact C-N 3.35Å; L81-I84 PolarHBondContact O-N 3.12Å; L81-K85 WeakPolarHBondContact O-CB 3.15Å; L81-K85 PolarHBondContact O-N 2.83Å |
| 82 | H | 79.4 | Confident | 67.7 | Low | 123 Ų | 123 | 113.5 Ų | 113.5 | 57% | 0.569 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.5 | -39.2 | 173.3 | -70.9 | 146.3 | 0 | 0 | 0 | 112.1 | S78 K85 Q86 | S78-H82 WeakPolarHBondContact O-CB 3.48Å; S78-H82 VanDerWaalsContact O-CG 3.25Å; S78-H82 PolarHBondContact O-N 3.13Å; S78-H82 PolarHBondContact O-ND1 2.87Å; S78-H82 VanDerWaalsContact O-ND1 3.13Å; H82-K85 PolarHBondContact O-N 3.29Å; H82-Q86 WeakPolarHBondContact O-CB 3.38Å; H82-Q86 WeakPolarHBondContact O-CG 3.42Å; H82-Q86 PolarHBondContact O-N 3.1Å |
| 83 | Q | 81.6 | Confident | 69.1 | Low | 110 Ų | 110 | 114.9 Ų | 114.9 | 51% | 0.514 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.6 | -46.6 | 174.6 | -178.4 | 178.6 | -4 | 0 | 0 | 111.7 | T79 R80 L81 K85 Q86 E87 | T79-Q83 VanDerWaalsContact O-CB 3.31Å; T79-Q83 WeakPolarHBondContact O-CB 3.47Å; T79-Q83 PolarHBondContact O-N 2.99Å; R80-Q83 PolarHBondContact O-N 3.33Å; L81-Q83 VanDerWaalsContact C-N 3.35Å; Q83-K85 PolarHBondContact O-N 2.76Å; Q83-Q86 PolarHBondContact O-N 2.85Å; Q83-E87 HydrophobicContact CG-CG 4.41Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.23Å; Q83-E87 PolarHBondContact NE2-OE1 3.09Å; Q83-E87 WeakPolarHBondContact O-CB 3.45Å; Q83-E87 WeakPolarHBondContact O-CG 3.27Å; Q83-E87 PolarHBondContact O-N 2.99Å |
| 84 | I | 77.9 | Confident | 70.2 | Confident | 73 Ų | 73 | 113.5 Ų | 113.5 | 37% | 0.374 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.6 | -45.4 | 177.6 | -67.8 | 163.2 | 0 | 0 | 0 | 110.6 | R80 L81 Q86 E87 E88 | R80-I84 HydrophobicContact CG-CD1 3.96Å; R80-I84 WeakPolarHBondContact O-CD1 3.31Å; R80-I84 VanDerWaalsContact O-CG1 3.23Å; R80-I84 WeakPolarHBondContact O-CG1 3.45Å; R80-I84 PolarHBondContact O-N 3.36Å; L81-I84 PolarHBondContact O-N 3.12Å; I84-Q86 VanDerWaalsContact C-N 3.28Å; I84-Q86 PolarHBondContact O-N 2.93Å; I84-E87 PolarHBondContact O-N 3.16Å; I84-E88 VanDerWaalsContact O-CB 3.27Å; I84-E88 WeakPolarHBondContact O-CB 3.4Å; I84-E88 PolarHBondContact O-N 3.2Å |
| 85 | K | 73.8 | Confident | 71.6 | Confident | 157 Ų | 157 | 114.8 Ų | 114.8 | 68% | 0.683 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64 | -32.7 | 177.8 | -170 | 177.3 | 178.4 | -176.5 | 0 | 112.8 | L81 H82 Q83 G89 | L81-K85 WeakPolarHBondContact O-CB 3.15Å; L81-K85 PolarHBondContact O-N 2.83Å; H82-K85 PolarHBondContact O-N 3.29Å; Q83-K85 PolarHBondContact O-N 2.76Å; K85-G89 PolarHBondContact O-N 2.91Å |
| 86 | Q | 68.6 | Low | 72.8 | Confident | 122 Ų | 122 | 109 Ų | 109 | 57% | 0.57 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -73.7 | -45 | 173 | -69.4 | -71.3 | 1 | 0 | 0 | 111 | H82 Q83 I84 E88 G89 V90 | H82-Q86 WeakPolarHBondContact O-CB 3.38Å; H82-Q86 WeakPolarHBondContact O-CG 3.42Å; H82-Q86 PolarHBondContact O-N 3.1Å; Q83-Q86 PolarHBondContact O-N 2.85Å; I84-Q86 VanDerWaalsContact C-N 3.28Å; I84-Q86 PolarHBondContact O-N 2.93Å; Q86-E88 PolarHBondContact O-N 2.71Å; Q86-G89 PolarHBondContact O-N 2.96Å; Q86-V90 HydrophobicContact CB-CG2 4.31Å; Q86-V90 WeakPolarHBondContact O-CB 3.38Å; Q86-V90 WeakPolarHBondContact O-CG2 3.06Å; Q86-V90 PolarHBondContact O-N 2.94Å; Q86-V90 VanDerWaalsContact OE1-CG2 3.31Å |
| 87 | E | 67.9 | Low | 74.1 | Confident | 126 Ų | 126 | 108.8 Ų | 108.8 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.2 | -33.2 | 175.5 | -76.1 | 174.1 | -172.6 | 0 | 0 | 112.2 | Q83 I84 | Q83-E87 HydrophobicContact CG-CG 4.41Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.23Å; Q83-E87 PolarHBondContact NE2-OE1 3.09Å; Q83-E87 WeakPolarHBondContact O-CB 3.45Å; Q83-E87 WeakPolarHBondContact O-CG 3.27Å; Q83-E87 PolarHBondContact O-N 2.99Å; I84-E87 PolarHBondContact O-N 3.16Å |
| 88 | E | 68.1 | Low | 75.3 | Confident | 148 Ų | 148 | 107.2 Ų | 107.2 | 69% | 0.692 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -81.2 | -28 | 177.6 | -166.4 | 175.9 | -171.8 | 0 | 0 | 113.1 | I84 Q86 | I84-E88 VanDerWaalsContact O-CB 3.27Å; I84-E88 WeakPolarHBondContact O-CB 3.4Å; I84-E88 PolarHBondContact O-N 3.2Å; Q86-E88 PolarHBondContact O-N 2.71Å |
| 89 | G | 69.5 | Low | 76.7 | Confident | 44 Ų | 44 | 109.8 Ų | 109.8 | 45% | 0.454 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -101.3 | -20.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K85 Q86 | K85-G89 PolarHBondContact O-N 2.91Å; Q86-G89 PolarHBondContact O-N 2.96Å |
| 90 | V | 62.3 | Low | 77.7 | Confident | 90 Ų | 90 | 109.7 Ų | 109.7 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -19.5 | -172.8 | 164 | 0 | 0 | 0 | 0 | 113.1 | Q86 | Q86-V90 HydrophobicContact CB-CG2 4.31Å; Q86-V90 WeakPolarHBondContact O-CB 3.38Å; Q86-V90 WeakPolarHBondContact O-CG2 3.06Å; Q86-V90 PolarHBondContact O-N 2.94Å; Q86-V90 VanDerWaalsContact OE1-CG2 3.31Å |
| 91 | D | 64.1 | Low | 78.3 | Confident | 88 Ų | 88 | 108.7 Ų | 108.7 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 11.5 | -171.6 | -151.9 | 40 | 0 | 0 | 0 | 114.4 | N94 R95 | D91-N94 WeakPolarHBondContact OD1-CB 3.09Å; D91-N94 PolarHBondContact OD1-ND2 3.45Å; D91-R95 WeakPolarHBondContact O-CB 3.07Å; D91-R95 PolarHBondContact O-N 2.8Å |
| 92 | L | 69.2 | Low | 78.8 | Confident | 119 Ų | 119 | 106 Ų | 106 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68 | -47.6 | 179 | -65.3 | 175 | 0 | 0 | 0 | 111.5 | R95 E96 | L92-R95 PolarHBondContact O-N 2.77Å; L92-E96 WeakPolarHBondContact O-CB 2.99Å; L92-E96 PolarHBondContact O-N 3.26Å |
| 93 | M | 73 | Confident | 79.5 | Confident | 135 Ų | 135 | 103 Ų | 103 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.5 | -40.7 | 179 | -166.3 | 77.3 | 67.8 | 0 | 0 | 112.1 | T97 | M93-T97 WeakPolarHBondContact O-CB 3.17Å; M93-T97 PolarHBondContact O-N 3.13Å; M93-T97 PolarHBondContact O-OG1 3.41Å |
| 94 | N | 80.5 | Confident | 80.2 | Confident | 89 Ų | 89 | 103.6 Ų | 103.6 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.9 | -38.6 | 179.6 | -74.9 | -30.5 | 0 | 0 | 0 | 112 | D91 A98 | D91-N94 WeakPolarHBondContact OD1-CB 3.09Å; D91-N94 PolarHBondContact OD1-ND2 3.45Å; N94-A98 WeakPolarHBondContact O-CB 3.34Å; N94-A98 PolarHBondContact O-N 3.36Å |
| 95 | R | 83.3 | Confident | 81 | Confident | 189 Ų | 189 | 103.7 Ų | 103.7 | 71% | 0.713 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 174.6 | 178.3 | 176.8 | 167 | 133.4 | -1.3 | 111.4 | D91 L92 H99 | D91-R95 WeakPolarHBondContact O-CB 3.07Å; D91-R95 PolarHBondContact O-N 2.8Å; L92-R95 PolarHBondContact O-N 2.77Å; R95-H99 WeakPolarHBondContact O-CB 3.36Å; R95-H99 PolarHBondContact O-N 2.94Å |
| 96 | E | 83.6 | Confident | 81.9 | Confident | 108 Ų | 108 | 98.7 Ų | 98.7 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -52.1 | 173.4 | -179.9 | -177 | -126.1 | 0 | 0 | 111.1 | L92 A98 H99 E100 | L92-E96 WeakPolarHBondContact O-CB 2.99Å; L92-E96 PolarHBondContact O-N 3.26Å; E96-A98 VanDerWaalsContact C-N 3.28Å; E96-A98 PolarHBondContact O-N 2.94Å; E96-H99 WeakPolarHBondContact O-CA 3.46Å; E96-H99 WeakPolarHBondContact O-CB 3.33Å; E96-H99 PolarHBondContact O-N 2.97Å; E96-E100 PolarHBondContact O-N 2.86Å |
| 97 | T | 87.6 | Confident | 83 | Confident | 50 Ų | 50 | 98.3 Ų | 98.3 | 31% | 0.307 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 179 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | M93 R101 | M93-T97 WeakPolarHBondContact O-CB 3.17Å; M93-T97 PolarHBondContact O-N 3.13Å; M93-T97 PolarHBondContact O-OG1 3.41Å; T97-R101 WeakPolarHBondContact O-CG 3.45Å; T97-R101 PolarHBondContact O-N 3.28Å; T97-R101 VanDerWaalsContact O-N 3.09Å |
| 98 | A | 89.2 | Confident | 84.1 | Confident | 47 Ų | 47 | 99.1 Ų | 99.1 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.8 | -37.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N94 E96 G102 | N94-A98 WeakPolarHBondContact O-CB 3.34Å; N94-A98 PolarHBondContact O-N 3.36Å; E96-A98 VanDerWaalsContact C-N 3.28Å; E96-A98 PolarHBondContact O-N 2.94Å; A98-G102 PolarHBondContact O-N 2.92Å |
| 99 | H | 93.8 | Very high | 85 | Confident | 131 Ų | 131 | 96.9 Ų | 96.9 | 61% | 0.606 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -46.9 | 175.1 | 179.1 | -96.8 | 0 | 0 | 0 | 111.3 | R95 E96 R101 G102 V103 | R95-H99 WeakPolarHBondContact O-CB 3.36Å; R95-H99 PolarHBondContact O-N 2.94Å; E96-H99 WeakPolarHBondContact O-CA 3.46Å; E96-H99 WeakPolarHBondContact O-CB 3.33Å; E96-H99 PolarHBondContact O-N 2.97Å; H99-R101 VanDerWaalsContact C-N 3.34Å; H99-R101 PolarHBondContact O-N 3.21Å; H99-G102 WeakPolarHBondContact O-CA 3.48Å; H99-G102 PolarHBondContact O-N 2.85Å; H99-V103 WeakPolarHBondContact O-CG2 3.19Å; H99-V103 PolarHBondContact O-N 2.66Å |
| 100 | E | 93.6 | Very high | 85.8 | Confident | 98 Ų | 98 | 98.3 Ų | 98.3 | 46% | 0.458 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.4 | -70.3 | -175.2 | 167.7 | 0 | 0 | 112.3 | E96 G102 V103 Q104 | E96-E100 PolarHBondContact O-N 2.86Å; E100-G102 VanDerWaalsContact C-N 3.31Å; E100-G102 PolarHBondContact O-N 3.41Å; E100-V103 PolarHBondContact O-N 3.37Å; E100-Q104 WeakPolarHBondContact O-CG 3.25Å; E100-Q104 PolarHBondContact O-N 2.79Å |
| 101 | R | 94.1 | Very high | 86.4 | Confident | 138 Ų | 138 | 99.6 Ų | 99.6 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 173.4 | -78.1 | -172 | -91.1 | 103.9 | -3.3 | 112.1 | T97 H99 Q104 V105 | T97-R101 WeakPolarHBondContact O-CG 3.45Å; T97-R101 PolarHBondContact O-N 3.28Å; T97-R101 VanDerWaalsContact O-N 3.09Å; H99-R101 VanDerWaalsContact C-N 3.34Å; H99-R101 PolarHBondContact O-N 3.21Å; R101-Q104 PolarHBondContact O-N 3.37Å; R101-V105 WeakPolarHBondContact O-CB 3.39Å; R101-V105 VanDerWaalsContact O-CG2 3.28Å; R101-V105 WeakPolarHBondContact O-CG2 3.49Å; R101-V105 PolarHBondContact O-N 2.9Å |
| 102 | G | 93.3 | Very high | 86.9 | Confident | 42 Ų | 42 | 98.2 Ų | 98.2 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A98 H99 E100 A106 | A98-G102 PolarHBondContact O-N 2.92Å; H99-G102 WeakPolarHBondContact O-CA 3.48Å; H99-G102 PolarHBondContact O-N 2.85Å; E100-G102 VanDerWaalsContact C-N 3.31Å; E100-G102 PolarHBondContact O-N 3.41Å; G102-A106 WeakPolarHBondContact O-CB 3.37Å; G102-A106 PolarHBondContact O-N 2.84Å |
| 103 | V | 95.4 | Very high | 86.7 | Confident | 59 Ų | 59 | 101.3 Ų | 101.3 | 36% | 0.358 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | H99 E100 V105 A106 M107 | H99-V103 WeakPolarHBondContact O-CG2 3.19Å; H99-V103 PolarHBondContact O-N 2.66Å; E100-V103 PolarHBondContact O-N 3.37Å; V103-V105 PolarHBondContact O-N 3.49Å; V103-A106 PolarHBondContact O-N 3.4Å; V103-M107 HydrophobicContact CG1-CE 3.8Å; V103-M107 HydrophobicContact CG1-SD 4.29Å; V103-M107 WeakPolarHBondContact O-CG 3.37Å; V103-M107 PolarHBondContact O-N 3.24Å |
| 104 | Q | 95.8 | Very high | 86.3 | Confident | 122 Ų | 122 | 101.3 Ų | 101.3 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 179.5 | -72.1 | 175.7 | 33.4 | 0 | 0 | 112.1 | E100 R101 A106 M107 Q108 | E100-Q104 WeakPolarHBondContact O-CG 3.25Å; E100-Q104 PolarHBondContact O-N 2.79Å; R101-Q104 PolarHBondContact O-N 3.37Å; Q104-A106 VanDerWaalsContact C-N 3.34Å; Q104-A106 PolarHBondContact O-N 3.36Å; Q104-M107 PolarHBondContact O-N 3.23Å; Q104-Q108 WeakPolarHBondContact O-CB 3.48Å; Q104-Q108 PolarHBondContact O-N 2.85Å |
| 105 | V | 95.2 | Very high | 85.4 | Confident | 75 Ų | 75 | 104.1 Ų | 104.1 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | R101 V103 Q108 M109 | R101-V105 WeakPolarHBondContact O-CB 3.39Å; R101-V105 VanDerWaalsContact O-CG2 3.28Å; R101-V105 WeakPolarHBondContact O-CG2 3.49Å; R101-V105 PolarHBondContact O-N 2.9Å; V103-V105 PolarHBondContact O-N 3.49Å; V105-Q108 PolarHBondContact O-N 3.42Å; V105-M109 HydrophobicContact CG1-CG 4.28Å; V105-M109 HydrophobicContact CG1-SD 4.01Å; V105-M109 WeakPolarHBondContact O-CB 3.28Å; V105-M109 VanDerWaalsContact O-CG 3.25Å; V105-M109 WeakPolarHBondContact O-CG 3.44Å; V105-M109 PolarHBondContact O-N 2.93Å |
| 106 | A | 91.9 | Very high | 84.3 | Confident | 52 Ų | 52 | 98.7 Ų | 98.7 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G102 V103 Q104 M109 S110 | G102-A106 WeakPolarHBondContact O-CB 3.37Å; G102-A106 PolarHBondContact O-N 2.84Å; V103-A106 PolarHBondContact O-N 3.4Å; Q104-A106 VanDerWaalsContact C-N 3.34Å; Q104-A106 PolarHBondContact O-N 3.36Å; A106-M109 PolarHBondContact O-N 3.24Å; A106-S110 PolarHBondContact O-N 2.81Å; A106-S110 PolarHBondContact O-OG 2.81Å |
| 107 | M | 92.4 | Very high | 83.2 | Confident | 115 Ų | 115 | 101 Ų | 101 | 57% | 0.567 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.6 | -46.6 | 174.8 | -73.5 | 178.2 | 178.1 | 0 | 0 | 111.8 | V103 Q104 M109 S110 H111 | V103-M107 HydrophobicContact CG1-CE 3.8Å; V103-M107 HydrophobicContact CG1-SD 4.29Å; V103-M107 WeakPolarHBondContact O-CG 3.37Å; V103-M107 PolarHBondContact O-N 3.24Å; Q104-M107 PolarHBondContact O-N 3.23Å; M107-M109 VanDerWaalsContact C-N 3.33Å; M107-M109 PolarHBondContact O-N 3.15Å; M107-S110 WeakPolarHBondContact O-CB 3.49Å; M107-S110 PolarHBondContact O-N 3.32Å; M107-H111 PolarHBondContact O-CD2 2.84Å; M107-H111 PolarHBondContact O-N 3.23Å |
| 108 | Q | 91.4 | Very high | 81.7 | Confident | 142 Ų | 142 | 103.1 Ų | 103.1 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 178 | -176.6 | -177.4 | -2 | 0 | 0 | 111.9 | Q104 V105 H111 S112 | Q104-Q108 WeakPolarHBondContact O-CB 3.48Å; Q104-Q108 PolarHBondContact O-N 2.85Å; V105-Q108 PolarHBondContact O-N 3.42Å; Q108-H111 PolarHBondContact O-N 3.04Å; Q108-S112 WeakPolarHBondContact O-CB 3.48Å; Q108-S112 PolarHBondContact O-N 3.28Å |
| 109 | M | 86.4 | Confident | 80.1 | Confident | 102 Ų | 102 | 107.9 Ų | 107.9 | 50% | 0.502 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.5 | -42.7 | 176.4 | -74.4 | -176.6 | 66.6 | 0 | 0 | 111.3 | V105 A106 M107 H111 S112 W113 | V105-M109 HydrophobicContact CG1-CG 4.28Å; V105-M109 HydrophobicContact CG1-SD 4.01Å; V105-M109 WeakPolarHBondContact O-CB 3.28Å; V105-M109 VanDerWaalsContact O-CG 3.25Å; V105-M109 WeakPolarHBondContact O-CG 3.44Å; V105-M109 PolarHBondContact O-N 2.93Å; A106-M109 PolarHBondContact O-N 3.24Å; M107-M109 VanDerWaalsContact C-N 3.33Å; M107-M109 PolarHBondContact O-N 3.15Å; M109-H111 VanDerWaalsContact C-N 3.32Å; M109-H111 PolarHBondContact O-N 3.05Å; M109-S112 WeakPolarHBondContact O-CB 3.47Å; M109-S112 PolarHBondContact O-N 3.46Å; M109-W113 PolarHBondContact O-N 3.47Å; M109-W113 VanDerWaalsContact O-N 3.14Å |
| 110 | S | 85.1 | Confident | 78.2 | Confident | 73 Ų | 73 | 106.1 Ų | 106.1 | 51% | 0.51 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -57.6 | -44.8 | 175.5 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | A106 M107 W113 | A106-S110 PolarHBondContact O-N 2.81Å; A106-S110 PolarHBondContact O-OG 2.81Å; M107-S110 WeakPolarHBondContact O-CB 3.49Å; M107-S110 PolarHBondContact O-N 3.32Å; S110-W113 PolarHBondContact O-N 3.21Å |
| 111 | H | 75.7 | Confident | 76.2 | Confident | 118 Ų | 118 | 107.6 Ų | 107.6 | 55% | 0.546 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.3 | -34.8 | 176 | -67.9 | -56 | 0 | 0 | 0 | 113.2 | M107 Q108 M109 W113 E114 E115 | M107-H111 PolarHBondContact O-CD2 2.84Å; M107-H111 PolarHBondContact O-N 3.23Å; Q108-H111 PolarHBondContact O-N 3.04Å; M109-H111 VanDerWaalsContact C-N 3.32Å; M109-H111 PolarHBondContact O-N 3.05Å; H111-W113 VanDerWaalsContact C-N 3.29Å; H111-W113 PolarHBondContact O-N 3.03Å; H111-E114 PolarHBondContact O-N 2.89Å; H111-E114 VanDerWaalsContact O-N 3.17Å; H111-E115 PolarHBondContact O-N 3.06Å |
| 112 | S | 74.1 | Confident | 74.4 | Confident | 59 Ų | 59 | 108.3 Ų | 108.3 | 41% | 0.413 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.6 | -34.1 | 177.2 | 173 | 0 | 0 | 0 | 0 | 113 | Q108 M109 S116 | Q108-S112 WeakPolarHBondContact O-CB 3.48Å; Q108-S112 PolarHBondContact O-N 3.28Å; M109-S112 WeakPolarHBondContact O-CB 3.47Å; M109-S112 PolarHBondContact O-N 3.46Å; S112-S116 WeakPolarHBondContact O-CB 3.34Å; S112-S116 PolarHBondContact O-N 2.94Å; S112-S116 PolarHBondContact O-OG 3.27Å |
| 113 | W | 66.4 | Low | 72.5 | Confident | 184 Ų | 184 | 113.2 Ų | 113.2 | 70% | 0.697 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -74.3 | -27.9 | 176.1 | -70.2 | 111.1 | 0 | 0 | 0 | 112.9 | M109 S110 H111 | M109-W113 PolarHBondContact O-N 3.47Å; M109-W113 VanDerWaalsContact O-N 3.14Å; S110-W113 PolarHBondContact O-N 3.21Å; H111-W113 VanDerWaalsContact C-N 3.29Å; H111-W113 PolarHBondContact O-N 3.03Å |
| 114 | E | 63.2 | Low | 70.5 | Confident | 134 Ų | 134 | 117.5 Ų | 117.5 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78.5 | -41.2 | 175 | -68.2 | -175.1 | 170.6 | 0 | 0 | 112 | H111 S116 L117 S118 | H111-E114 PolarHBondContact O-N 2.89Å; H111-E114 VanDerWaalsContact O-N 3.17Å; E114-S116 PolarHBondContact O-N 2.84Å; E114-L117 PolarHBondContact O-N 2.74Å; E114-S118 WeakPolarHBondContact O-CB 3.43Å; E114-S118 PolarHBondContact O-N 3.03Å |
| 115 | E | 62.5 | Low | 68.5 | Low | 148 Ų | 148 | 119.1 Ų | 119.1 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.4 | -31.1 | -178.3 | -159.7 | 172 | -162.5 | 0 | 0 | 112.5 | H111 L117 S118 | H111-E115 PolarHBondContact O-N 3.06Å; E115-L117 VanDerWaalsContact C-N 3.27Å; E115-L117 PolarHBondContact O-N 2.89Å; E115-S118 PolarHBondContact O-N 3.09Å |
| 116 | S | 60.1 | Low | 66.4 | Low | 75 Ų | 75 | 124.6 Ų | 124.6 | 52% | 0.524 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.6 | -22.5 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | S112 E114 | S112-S116 WeakPolarHBondContact O-CB 3.34Å; S112-S116 PolarHBondContact O-N 2.94Å; S112-S116 PolarHBondContact O-OG 3.27Å; E114-S116 PolarHBondContact O-N 2.84Å |
| 117 | L | 60 | Low | 64.1 | Low | 158 Ų | 158 | 127.6 Ų | 127.6 | 83% | 0.827 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -13.6 | 173.1 | -62.6 | 176 | 0 | 0 | 0 | 112.1 | E114 E115 L119 | E114-L117 PolarHBondContact O-N 2.74Å; E115-L117 VanDerWaalsContact C-N 3.27Å; E115-L117 PolarHBondContact O-N 2.89Å; L117-L119 PolarHBondContact O-N 2.99Å |
| 118 | S | 56.3 | Low | 62.1 | Low | 93 Ų | 93 | 127.7 Ų | 127.7 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | | | trans | -88.6 | 33.8 | 174.5 | -158.6 | 0 | 0 | 0 | 0 | 112.5 | E114 E115 S120 | E114-S118 WeakPolarHBondContact O-CB 3.43Å; E114-S118 PolarHBondContact O-N 3.03Å; E115-S118 PolarHBondContact O-N 3.09Å; S118-S120 PolarHBondContact O-N 2.91Å |
| 119 | L | 55.6 | Low | 60 | Low | 148 Ų | 148 | 125.2 Ų | 125.2 | 78% | 0.775 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -74.4 | 85.3 | 165.1 | -78.3 | 167.4 | 0 | 0 | 0 | 109 | L117 | L117-L119 PolarHBondContact O-N 2.99Š|
| 120 | S | 54.6 | Low | 58.6 | Low | 93 Ų | 93 | 127 Ų | 127 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | | | trans | 42 | 90.5 | 154.1 | 71.1 | 0 | 0 | 0 | 0 | 117.9 | S118 N122 | S118-S120 PolarHBondContact O-N 2.91Å; S120-N122 PolarHBondContact O-N 2.97Å |
| 121 | D | 51.1 | Low | 57 | Low | 129 Ų | 129 | 132 Ų | 132 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -85 | 55.4 | 152.9 | -170.8 | 23.5 | 0 | 0 | 0 | 110.2 | | |
| 122 | N | 56.8 | Low | 56 | Low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | | | trans | -137 | 36 | 177.4 | -87.7 | -73.6 | 0 | 0 | 0 | 112 | S120 | S120-N122 PolarHBondContact O-N 2.97Š|
| 123 | D | 52.7 | Low | 55 | Low | 144 Ų | 144 | 139.1 Ų | 139.1 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | trans | -145.9 | 38 | 164.6 | -135.2 | -0.8 | 0 | 0 | 0 | 112.5 | E125 | D123-E125 PolarHBondContact O-N 2.75Š|
| 124 | M | 53.2 | Low | 54.2 | Low | 150 Ų | 150 | 135.8 Ų | 135.8 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | | | trans | -76.1 | 54.9 | 169.2 | -171.9 | 106.7 | 65.2 | 0 | 0 | 110.9 | | |
| 125 | E | 52.9 | Low | 53.6 | Low | 156 Ų | 156 | 137.6 Ų | 137.6 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -150.5 | 95.4 | 158.1 | -87.3 | -57.9 | 142.2 | 0 | 0 | 108.1 | D123 | D123-E125 PolarHBondContact O-N 2.75Š|
| 126 | K | 51.4 | Low | 53.3 | Low | 189 Ų | 189 | 136.1 Ų | 136.1 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 87.1 | 80.3 | 161.1 | -151.2 | 128 | 70.2 | -143.1 | 0 | 117.7 | | |
| 127 | S | 43.3 | Very low | 53.1 | Low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | -153 | 80.5 | 137.9 | 53.4 | 0 | 0 | 0 | 0 | 112.3 | S129 | S127-S129 PolarHBondContact O-N 2.86Å; S127-S129 VanDerWaalsContact O-N 3.15Å |
| 128 | S | 51.5 | Low | 53.1 | Low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | | | trans | -66.7 | 102.8 | 157.1 | 59.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 129 | S | 47.3 | Very low | 53 | Low | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | | | trans | -176.7 | 116.6 | 142.5 | 44.1 | 0 | 0 | 0 | 0 | 111.8 | S127 K131 | S127-S129 PolarHBondContact O-N 2.86Å; S127-S129 VanDerWaalsContact O-N 3.15Å; S129-K131 PolarHBondContact O-N 3.37Å; S129-K131 VanDerWaalsContact O-N 3.1Å |
| 130 | P | 57.5 | Low | 52.9 | Low | 141 Ų | 141 | 135.6 Ų | 135.6 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | | | trans | -80.4 | 90.5 | 165.9 | 26.9 | -20.1 | 0 | 0 | 0 | 107.5 | | |
| 131 | K | 50.9 | Low | 53.1 | Low | 178 Ų | 178 | 135 Ų | 135 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | | | trans | -139.5 | 114.2 | 175.1 | -131.1 | 155 | -178 | 166.2 | 0 | 110.8 | S129 | S129-K131 PolarHBondContact O-N 3.37Å; S129-K131 VanDerWaalsContact O-N 3.1Å |
| 132 | R | 54 | Low | 53.1 | Low | 189 Ų | 189 | 134.8 Ų | 134.8 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | trans | 78.2 | 89.2 | 158.3 | -35.1 | -164.8 | -50.2 | 171.5 | 13.8 | 114.3 | D134 | R132-D134 IonicContact NH2-OD2 3.95Å; R132-D134 PolarHBondContact O-N 3Å |
| 133 | I | 53.1 | Low | 52.8 | Low | 136 Ų | 136 | 131.8 Ų | 131.8 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | | | trans | -61.1 | 96.5 | 144.8 | -68.7 | 132.2 | 0 | 0 | 0 | 105.1 | F135 | I133-F135 HydrophobicContact CB-CD2 4.44Å; I133-F135 HydrophobicContact CB-CE2 4.18Å; I133-F135 HydrophobicContact CG2-CD1 4.19Å; I133-F135 HydrophobicContact CG2-CD2 3.74Å; I133-F135 HydrophobicContact CG2-CE1 4.06Å; I133-F135 HydrophobicContact CG2-CE2 3.6Å; I133-F135 HydrophobicContact CG2-CG 4.04Å; I133-F135 HydrophobicContact CG2-CZ 3.77Å; I133-F135 WeakPolarHBondContact O-CD2 3.35Å; I133-F135 PolarHBondContact O-N 3.49Å |
| 134 | D | 51 | Low | 52.7 | Low | 114 Ų | 114 | 131.3 Ų | 131.3 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | | | trans | -65.2 | 92.1 | 163.1 | -80.6 | -23.5 | 0 | 0 | 0 | 105.5 | R132 V136 | R132-D134 IonicContact NH2-OD2 3.95Å; R132-D134 PolarHBondContact O-N 3Å; D134-V136 PolarHBondContact O-N 3.43Å |
| 135 | F | 49.8 | Very low | 52.6 | Low | 172 Ų | 172 | 130.3 Ų | 130.3 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | -61.2 | 95.2 | 163.2 | -72.3 | -84.1 | 0 | 0 | 0 | 106.1 | I133 P137 | I133-F135 HydrophobicContact CB-CD2 4.44Å; I133-F135 HydrophobicContact CB-CE2 4.18Å; I133-F135 HydrophobicContact CG2-CD1 4.19Å; I133-F135 HydrophobicContact CG2-CD2 3.74Å; I133-F135 HydrophobicContact CG2-CE1 4.06Å; I133-F135 HydrophobicContact CG2-CE2 3.6Å; I133-F135 HydrophobicContact CG2-CG 4.04Å; I133-F135 HydrophobicContact CG2-CZ 3.77Å; I133-F135 WeakPolarHBondContact O-CD2 3.35Å; I133-F135 PolarHBondContact O-N 3.49Å; F135-P137 WeakPolarHBondContact O-CD 3.47Å; F135-P137 VanDerWaalsContact O-N 3.1Å |
| 136 | V | 57.1 | Low | 52.9 | Low | 117 Ų | 117 | 133.5 Ų | 133.5 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | | | trans | -54.2 | 116.3 | 157.6 | 178.6 | 0 | 0 | 0 | 0 | 104.6 | D134 V138 | D134-V136 PolarHBondContact O-N 3.43Å; V136-V138 PolarHBondContact O-N 3.07Å |
| 137 | P | 55.6 | Low | 52.6 | Low | 114 Ų | 114 | 127.4 Ų | 127.4 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | | | trans | -64.4 | 98 | 173.2 | 25.5 | -30.2 | 0 | 0 | 0 | 106.2 | F135 S139 | F135-P137 WeakPolarHBondContact O-CD 3.47Å; F135-P137 VanDerWaalsContact O-N 3.1Å; P137-S139 PolarHBondContact O-N 2.98Å |
| 138 | V | 60.1 | Low | 53.4 | Low | 133 Ų | 133 | 129.2 Ų | 129.2 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | | | trans | -52.8 | 117.3 | 160.1 | 170 | 0 | 0 | 0 | 0 | 104.6 | V136 | V136-V138 PolarHBondContact O-N 3.07Š|
| 139 | S | 53.3 | Low | 53.6 | Low | 95 Ų | 95 | 126.2 Ų | 126.2 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | | | trans | -40.6 | 137.7 | 176.4 | -54.2 | 0 | 0 | 0 | 0 | 109.6 | P137 A141 | P137-S139 PolarHBondContact O-N 2.98Å; S139-A141 PolarHBondContact O-N 3.45Å |
| 140 | P | 52.9 | Low | 54.1 | Low | 122 Ų | 122 | 132.3 Ų | 132.3 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | | | trans | -54 | 116.5 | 175 | -16.4 | 26.9 | 0 | 0 | 0 | 107.1 | | |
| 141 | A | 60 | Low | 54.1 | Low | 79 Ų | 79 | 135 Ų | 135 | 65% | 0.653 | 75% | 0.746 | S | S | * | * | | | trans | -48.9 | 131.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | S139 S143 | S139-A141 PolarHBondContact O-N 3.45Å; A141-S143 PolarHBondContact O-N 3.42Å |
| 142 | P | 49.9 | Very low | 54.3 | Low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | -56.1 | 112.3 | -178.5 | 22.6 | -31.4 | 0 | 0 | 0 | 106.7 | | |
| 143 | S | 50.9 | Low | 54.3 | Low | 91 Ų | 91 | 130.9 Ų | 130.9 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | trans | -53.4 | 143.4 | 176.1 | -59.3 | 0 | 0 | 0 | 0 | 107.3 | A141 T145 | A141-S143 PolarHBondContact O-N 3.42Å; S143-T145 PolarHBondContact O-N 3.28Å; S143-T145 PolarHBondContact O-OG1 3.03Å |
| 144 | P | 51.1 | Low | 54.4 | Low | 133 Ų | 133 | 131.7 Ų | 131.7 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | -65.1 | 88.7 | 174.9 | -13.1 | 27.1 | 0 | 0 | 0 | 107.2 | R146 | P144-R146 PolarHBondContact O-N 2.93Š|
| 145 | T | 52 | Low | 54.4 | Low | 130 Ų | 130 | 130.4 Ų | 130.4 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | | | trans | -61.9 | 111.6 | 178.3 | -58.2 | 0 | 0 | 0 | 0 | 105.4 | S143 G147 | S143-T145 PolarHBondContact O-N 3.28Å; S143-T145 PolarHBondContact O-OG1 3.03Å; T145-G147 PolarHBondContact O-N 2.96Å |
| 146 | R | 57.8 | Low | 54.3 | Low | 222 Ų | 222 | 128.7 Ų | 128.7 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | | | trans | -56.7 | 78.2 | 170.2 | -174.1 | 177.9 | -175.8 | -116.2 | 4 | 108.6 | P144 I148 | P144-R146 PolarHBondContact O-N 2.93Å; R146-I148 PolarHBondContact O-N 3.25Å |
| 147 | G | 46.6 | Very low | 54.3 | Low | 62 Ų | 62 | 127.6 Ų | 127.6 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | | | trans | -80.1 | 101.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | T145 G149 | T145-G147 PolarHBondContact O-N 2.96Å; G147-G149 PolarHBondContact O-N 2.92Å; G147-G149 VanDerWaalsContact O-N 3.12Å |
| 148 | I | 59.1 | Low | 54.3 | Low | 152 Ų | 152 | 128.2 Ų | 128.2 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | | | trans | -50.4 | 115.6 | 155.7 | -91 | 79.9 | 0 | 0 | 0 | 106.7 | R146 | R146-I148 PolarHBondContact O-N 3.25Š|
| 149 | G | 55.5 | Low | 54.2 | Low | 55 Ų | 55 | 131 Ų | 131 | 57% | 0.567 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 156.4 | 71.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | G147 K151 | G147-G149 PolarHBondContact O-N 2.92Å; G147-G149 VanDerWaalsContact O-N 3.12Å; G149-K151 PolarHBondContact O-N 3.42Å; G149-K151 VanDerWaalsContact O-N 3.09Å |
| 150 | K | 58.3 | Low | 54.3 | Low | 218 Ų | 218 | 133.1 Ų | 133.1 | 95% | 0.948 | 76% | 0.755 | S | S | * | * | | | trans | 29.4 | 69.7 | 155.3 | -61.2 | -178.6 | 179.3 | 178.7 | 0 | 116 | | |
| 151 | K | 57.3 | Low | 54 | Low | 198 Ų | 198 | 134.2 Ų | 134.2 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | trans | -111.9 | 85.6 | 151.4 | -66.7 | -156.1 | -179.2 | -168.4 | 0 | 107.5 | G149 C153 | G149-K151 PolarHBondContact O-N 3.42Å; G149-K151 VanDerWaalsContact O-N 3.09Å; K151-C153 PolarHBondContact O-N 2.9Å |
| 152 | Q | 55.7 | Low | 53.4 | Low | 150 Ų | 150 | 136.7 Ų | 136.7 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | -53.8 | 121.7 | 160.4 | -78.1 | 177.3 | -19.9 | 0 | 0 | 106.8 | F154 | Q152-F154 HydrophobicContact CB-CD2 3.89Å; Q152-F154 HydrophobicContact CB-CE2 3.61Å; Q152-F154 HydrophobicContact CB-CZ 4.38Å; Q152-F154 WeakPolarHBondContact O-CD2 3.42Å; Q152-F154 PolarHBondContact O-N 2.84Å; Q152-F154 VanDerWaalsContact OE1-CZ 3.24Å |
| 153 | C | 53.8 | Low | 53 | Low | 129 Ų | 129 | 135.2 Ų | 135.2 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | | | trans | -63.7 | 87.4 | 169.5 | -55.9 | 0 | 0 | 0 | 0 | 107.7 | K151 S155 | K151-C153 PolarHBondContact O-N 2.9Å; C153-S155 PolarHBondContact O-N 2.82Å |
| 154 | F | 53.8 | Low | 52.7 | Low | 153 Ų | 153 | 135.3 Ų | 135.3 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | trans | -75.4 | 111.8 | 168.3 | -80.4 | -81.1 | 0 | 0 | 0 | 107.8 | Q152 | Q152-F154 HydrophobicContact CB-CD2 3.89Å; Q152-F154 HydrophobicContact CB-CE2 3.61Å; Q152-F154 HydrophobicContact CB-CZ 4.38Å; Q152-F154 WeakPolarHBondContact O-CD2 3.42Å; Q152-F154 PolarHBondContact O-N 2.84Å; Q152-F154 VanDerWaalsContact OE1-CZ 3.24Å |
| 155 | S | 51 | Low | 52.5 | Low | 87 Ų | 87 | 136.4 Ų | 136.4 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | | | trans | -49.4 | 142.4 | 163.5 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | C153 S157 | C153-S155 PolarHBondContact O-N 2.82Å; S155-S157 PolarHBondContact O-N 3.27Å |
| 156 | P | 49.5 | Very low | 52.5 | Low | 136 Ų | 136 | 133.8 Ų | 133.8 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 7.7 | 179.1 | -26.1 | 35 | 0 | 0 | 0 | 116.7 | | |
| 157 | S | 55.9 | Low | 52 | Low | 94 Ų | 94 | 131.4 Ų | 131.4 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 2.5 | -170.2 | 59.2 | 0 | 0 | 0 | 0 | 116.2 | S155 | S155-S157 PolarHBondContact O-N 3.27Š|
| 158 | L | 55.7 | Low | 52 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 67% | 0.665 | 76% | 0.76 | S | S | * | * | | | trans | -135 | 76.2 | 179.1 | -65.8 | 173.5 | 0 | 0 | 0 | 112.1 | I160 | L158-I160 HydrophobicContact CD2-CD1 4.23Š|
| 159 | Q | 58.8 | Low | 51.3 | Low | 192 Ų | 192 | 133.2 Ų | 133.2 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | | | trans | -105.2 | 52.7 | 156.9 | -62.5 | -166.6 | 23.1 | 0 | 0 | 110 | L161 | Q159-L161 PolarHBondContact O-N 3.19Š|
| 160 | I | 54.5 | Low | 50.7 | Low | 139 Ų | 139 | 135.2 Ų | 135.2 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | -80.7 | 106 | 165.3 | -60.9 | 173.3 | 0 | 0 | 0 | 105.9 | L158 V162 | L158-I160 HydrophobicContact CD2-CD1 4.23Å; I160-V162 PolarHBondContact O-N 2.87Å |
| 161 | L | 46.5 | Very low | 50.1 | Low | 145 Ų | 145 | 130.9 Ų | 130.9 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | -50 | 109.1 | 171.2 | -175.4 | 85.5 | 0 | 0 | 0 | 109.4 | Q159 S163 | Q159-L161 PolarHBondContact O-N 3.19Å; L161-S163 VanDerWaalsContact C-N 3.35Å; L161-S163 PolarHBondContact O-N 3.44Å; L161-S163 VanDerWaalsContact O-N 3.14Å |
| 162 | V | 47.4 | Very low | 49.7 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | -76.7 | 92.7 | 163 | 175.6 | 0 | 0 | 0 | 0 | 106.7 | I160 | I160-V162 PolarHBondContact O-N 2.87Š|
| 163 | S | 42.9 | Very low | 49.4 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | | | trans | -103 | 91.5 | 151.5 | -69.1 | 0 | 0 | 0 | 0 | 106.5 | L161 N165 | L161-S163 VanDerWaalsContact C-N 3.35Å; L161-S163 PolarHBondContact O-N 3.44Å; L161-S163 VanDerWaalsContact O-N 3.14Å; S163-N165 PolarHBondContact O-N 3.37Å |
| 164 | S | 44.1 | Very low | 48.9 | Very low | 93 Ų | 93 | 125 Ų | 125 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | | | trans | -58.7 | 122.2 | 163.4 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 165 | N | 45.6 | Very low | 48.5 | Very low | 157 Ų | 157 | 124.2 Ų | 124.2 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | | -162.5 | 131.5 | 128.8 | -87.3 | 0.2 | 0 | 0 | 0 | 107.6 | S163 | S163-N165 PolarHBondContact O-N 3.37Š|
| 166 | G | 52.2 | Low | 48.3 | Very low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | | | trans | -56.3 | 142.8 | -154.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 167 | L | 47.8 | Very low | 48.2 | Very low | 172 Ų | 172 | 130.1 Ų | 130.1 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | | | | 176.9 | 142.9 | 116.3 | -82.6 | 175.3 | 0 | 0 | 0 | 107.2 | | |
| 168 | T | 45.9 | Very low | 48 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | | | trans | -59.3 | 128.9 | -172.5 | 53 | 0 | 0 | 0 | 0 | 113 | S170 | T168-S170 PolarHBondContact O-N 3.36Š|
| 169 | P | 46.2 | Very low | 47.8 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -85.7 | 105.9 | 166.3 | 31.5 | -28 | 0 | 0 | 0 | 109.5 | | |
| 170 | S | 41.1 | Very low | 46.9 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | -60.3 | 142.6 | 171.1 | -29.3 | 0 | 0 | 0 | 0 | 111 | T168 I172 | T168-S170 PolarHBondContact O-N 3.36Å; S170-I172 PolarHBondContact O-N 2.92Å |
| 171 | P | 47.2 | Very low | 46.8 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -90.5 | 81.3 | -178.2 | 35.7 | -31.4 | 0 | 0 | 0 | 110.5 | | |
| 172 | I | 48.7 | Very low | 47 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | | | trans | -139.3 | 104.8 | 162.6 | -50.1 | 174.5 | 0 | 0 | 0 | 108.3 | S170 S174 | S170-I172 PolarHBondContact O-N 2.92Å; I172-S174 PolarHBondContact O-N 3.35Å |
| 173 | P | 48.3 | Very low | 46.9 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | trans | -77.6 | 107.4 | 171.6 | 29.8 | -27.8 | 0 | 0 | 0 | 108.7 | | |
| 174 | S | 43 | Very low | 47.6 | Very low | 92 Ų | 92 | 148.3 Ų | 148.3 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | | | trans | -61.9 | 136.1 | 169.7 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | I172 T176 | I172-S174 PolarHBondContact O-N 3.35Å; S174-T176 PolarHBondContact O-N 3.48Å |
| 175 | P | 45.7 | Very low | 47.8 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 12.8 | -172.5 | -25.1 | 35.2 | 0 | 0 | 0 | 118.4 | | |
| 176 | T | 47.5 | Very low | 47.9 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | 19.3 | -165.2 | -27.7 | 0 | 0 | 0 | 0 | 115.2 | S174 R178 | S174-T176 PolarHBondContact O-N 3.48Å; T176-R178 PolarHBondContact O-N 3.47Å |
| 177 | R | 47.5 | Very low | 47.6 | Very low | 240 Ų | 240 | 149 Ų | 149 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | trans | -81.3 | 93.3 | 175.2 | -147.2 | 173.1 | 90.1 | -106.5 | 4.7 | 111.6 | | |
| 178 | R | 50.4 | Low | 47.7 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | | | trans | -54.6 | 140.9 | 172.1 | -61.7 | -175 | -165.7 | 172.3 | 4.3 | 111.8 | T176 | T176-R178 PolarHBondContact O-N 3.47Š|
| 179 | F | 51.9 | Low | 48 | Very low | 194 Ų | 194 | 147.1 Ų | 147.1 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | | | trans | 3.4 | 119 | 162.7 | -40.1 | -77.6 | 0 | 0 | 0 | 118.3 | | |
| 180 | S | 40.1 | Very low | 48.4 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -133.5 | 110.2 | 145.2 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 181 | R | 51.9 | Low | 49.4 | Very low | 244 Ų | 244 | 154.3 Ų | 154.3 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -75.9 | 118 | 170.4 | -68.4 | -175.5 | 177.6 | -120.3 | 3.1 | 107.7 | | |
| 182 | R | 51.5 | Low | 49.9 | Very low | 236 Ų | 236 | 152.3 Ų | 152.3 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | | | trans | -161.4 | 134.5 | 152 | -151.5 | 166.6 | -176.7 | -156.7 | -1.2 | 112.9 | | |
| 183 | S | 44.8 | Very low | 50.5 | Low | 111 Ų | 111 | 150 Ų | 150 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | 78.8 | 102.1 | 176.8 | 71 | 0 | 0 | 0 | 0 | 116.5 | | |
| 184 | Q | 57.3 | Low | 51 | Low | 201 Ų | 201 | 152.4 Ų | 152.4 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | | | trans | -83.6 | 118.5 | 152 | -73.5 | -152.2 | -14.6 | 0 | 0 | 108 | | |
| 185 | S | 48.4 | Very low | 51.9 | Low | 80 Ų | 80 | 153.5 Ų | 153.5 | 56% | 0.559 | 78% | 0.784 | S | S | * | * | | | trans | -130.6 | 125.8 | 157.5 | 44.3 | 0 | 0 | 0 | 0 | 106.5 | I187 | S185-I187 PolarHBondContact O-N 3.14Š|
| 186 | P | 47.5 | Very low | 52.8 | Low | 125 Ų | 125 | 149.4 Ų | 149.4 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | trans | -74 | 95 | -179.7 | 14 | -3.8 | 0 | 0 | 0 | 108.6 | N188 | P186-N188 PolarHBondContact O-N 3.42Š|
| 187 | I | 46.7 | Very low | 53.4 | Low | 133 Ų | 133 | 150.7 Ų | 150.7 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | trans | -82.3 | 105.7 | 163.4 | -60.4 | 173.2 | 0 | 0 | 0 | 105 | S185 C189 | S185-I187 PolarHBondContact O-N 3.14Å; I187-C189 PolarHBondContact O-N 3.23Å; I187-C189 PolarHBondContact O-SG 2.97Å |
| 188 | N | 50.7 | Low | 53.7 | Low | 145 Ų | 145 | 146.2 Ų | 146.2 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | -59.4 | 90 | 167.8 | -77.3 | -51.1 | 0 | 0 | 0 | 108.4 | P186 I190 | P186-N188 PolarHBondContact O-N 3.42Å; N188-I190 VanDerWaalsContact C-N 3.3Å; N188-I190 PolarHBondContact O-N 3.06Å |
| 189 | C | 50.5 | Low | 54.3 | Low | 112 Ų | 112 | 146.3 Ų | 146.3 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | | | trans | -68.2 | 93.5 | 167.7 | -55.7 | 0 | 0 | 0 | 0 | 106.7 | I187 R191 | I187-C189 PolarHBondContact O-N 3.23Å; I187-C189 PolarHBondContact O-SG 2.97Å; C189-R191 PolarHBondContact O-N 3.1Å |
| 190 | I | 55 | Low | 55.1 | Low | 159 Ų | 159 | 148 Ų | 148 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | | | trans | -61.9 | 92.2 | 168.2 | -58.8 | 173.3 | 0 | 0 | 0 | 106.3 | N188 A192 | N188-I190 VanDerWaalsContact C-N 3.3Å; N188-I190 PolarHBondContact O-N 3.06Å; I190-A192 PolarHBondContact O-N 3.03Å |
| 191 | R | 62.2 | Low | 55.9 | Low | 218 Ų | 218 | 151.7 Ų | 151.7 | 82% | 0.823 | 78% | 0.775 | S | S | * | * | | | trans | -66.8 | 115.8 | 168.6 | -179 | -172.9 | -69.5 | -91.8 | 3.4 | 105.9 | C189 S193 | C189-R191 PolarHBondContact O-N 3.1Å; R191-S193 PolarHBondContact O-N 3.38Å |
| 192 | A | 58.5 | Low | 55.9 | Low | 85 Ų | 85 | 143 Ų | 143 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | trans | -55.2 | 130.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.1 | I190 I194 | I190-A192 PolarHBondContact O-N 3.03Å; A192-I194 PolarHBondContact O-N 2.96Å |
| 193 | S | 60.3 | Low | 55.6 | Low | 92 Ų | 92 | 138.9 Ų | 138.9 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | | | trans | -53.6 | 133.7 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | R191 L195 | R191-S193 PolarHBondContact O-N 3.38Å; S193-L195 PolarHBondContact O-N 3.27Å; S193-L195 PolarHBondContact OG-N 3.46Å |
| 194 | I | 60.5 | Low | 56.1 | Low | 172 Ų | 172 | 140.5 Ų | 140.5 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -67.7 | -7.7 | 174.8 | 47.5 | 169.3 | 0 | 0 | 0 | 113.3 | A192 | A192-I194 PolarHBondContact O-N 2.96Š|
| 195 | L | 61 | Low | 55.6 | Low | 114 Ų | 114 | 138.7 Ų | 138.7 | 60% | 0.597 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -98 | 97.9 | 168.9 | -147.7 | 70.2 | 0 | 0 | 0 | 106.8 | S193 M198 | S193-L195 PolarHBondContact O-N 3.27Å; S193-L195 PolarHBondContact OG-N 3.46Å; L195-M198 HydrophobicContact CD2-CE 4.49Å; L195-M198 HydrophobicContact CD2-SD 4Å |
| 196 | G | 63.8 | Low | 55.9 | Low | 50 Ų | 50 | 139.4 Ų | 139.4 | 52% | 0.515 | 74% | 0.742 | S | S | . | * | | | trans | -52 | 166.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M198 | G196-M198 PolarHBondContact O-N 3.17Š|
| 197 | P | 60.4 | Low | 55.8 | Low | 133 Ų | 133 | 141.2 Ų | 141.2 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -48.6 | 110.2 | -173.4 | 18 | -29.9 | 0 | 0 | 0 | 110.6 | K199 | P197-K199 PolarHBondContact O-N 2.95Š|
| 198 | M | 54.2 | Low | 56 | Low | 147 Ų | 147 | 139 Ų | 139 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | | | trans | -64.1 | 102.8 | -176.4 | -177.6 | 149.5 | 59.8 | 0 | 0 | 107.6 | L195 G196 R200 | L195-M198 HydrophobicContact CD2-CE 4.49Å; L195-M198 HydrophobicContact CD2-SD 4Å; G196-M198 PolarHBondContact O-N 3.17Å; M198-R200 VanDerWaalsContact C-N 3.27Å; M198-R200 PolarHBondContact O-N 3.37Å |
| 199 | K | 62.9 | Low | 55.8 | Low | 202 Ų | 202 | 138.6 Ų | 138.6 | 88% | 0.878 | 73% | 0.729 | S | S | * | * | | | trans | -63.9 | 93.8 | 171 | -72.4 | -121.2 | 177.4 | -179.3 | 0 | 107.1 | P197 K201 | P197-K199 PolarHBondContact O-N 2.95Å; K199-K201 PolarHBondContact O-N 3.17Å |
| 200 | R | 69.2 | Low | 56.2 | Low | 231 Ų | 231 | 139.2 Ų | 139.2 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | | | trans | -57.9 | 113.5 | 162 | -64.6 | -166.9 | -61.8 | 154.4 | 0.7 | 105.9 | M198 G202 | M198-R200 VanDerWaalsContact C-N 3.27Å; M198-R200 PolarHBondContact O-N 3.37Å; R200-G202 PolarHBondContact O-N 3.1Å |
| 201 | K | 57.3 | Low | 55.8 | Low | 195 Ų | 195 | 139.5 Ų | 139.5 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | | | trans | -67.1 | 80.1 | 157 | -179.2 | 177.7 | 178 | -75.5 | 0 | 105.4 | K199 E203 | K199-K201 PolarHBondContact O-N 3.17Å; K201-E203 VanDerWaalsContact C-N 3.35Å; K201-E203 PolarHBondContact O-N 2.94Å; K201-E203 VanDerWaalsContact O-N 3.15Å |
| 202 | G | 51.3 | Low | 55.5 | Low | 61 Ų | 61 | 140 Ų | 140 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | | | trans | -69.2 | 100.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106 | R200 M204 | R200-G202 PolarHBondContact O-N 3.1Å; G202-M204 PolarHBondContact O-N 3.32Å |
| 203 | E | 45.5 | Very low | 55.2 | Low | 151 Ų | 151 | 144.2 Ų | 144.2 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | trans | -71.7 | 100 | 145.9 | -169.7 | -139.3 | -165.9 | 0 | 0 | 104.8 | K201 | K201-E203 VanDerWaalsContact C-N 3.35Å; K201-E203 PolarHBondContact O-N 2.94Å; K201-E203 VanDerWaalsContact O-N 3.15Å |
| 204 | M | 54.8 | Low | 54.4 | Low | 145 Ų | 145 | 149 Ų | 149 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | | | trans | -90 | 101.2 | 165.8 | 175 | -170.8 | 170.6 | 0 | 0 | 104.1 | G202 T206 | G202-M204 PolarHBondContact O-N 3.32Å; M204-T206 VanDerWaalsContact C-N 3.35Å; M204-T206 HydrophobicContact CE-CG2 3.57Å; M204-T206 HydrophobicContact CG-CG2 3.92Å; M204-T206 PolarHBondContact O-N 3.03Å; M204-T206 HydrophobicContact SD-CG2 3.83Å |
| 205 | E | 47.1 | Very low | 53.9 | Low | 163 Ų | 163 | 150.2 Ų | 150.2 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | trans | -66.1 | 103.5 | 163.2 | -156 | 179.5 | 179 | 0 | 0 | 106.5 | E207 | E205-E207 PolarHBondContact O-N 3.15Š|
| 206 | T | 54.9 | Low | 52.9 | Low | 94 Ų | 94 | 147.9 Ų | 147.9 | 58% | 0.577 | 75% | 0.754 | S | S | * | * | | | trans | -81.3 | 82.8 | 178.6 | 51.1 | 0 | 0 | 0 | 0 | 109.1 | M204 S208 | M204-T206 VanDerWaalsContact C-N 3.35Å; M204-T206 HydrophobicContact CE-CG2 3.57Å; M204-T206 HydrophobicContact CG-CG2 3.92Å; M204-T206 PolarHBondContact O-N 3.03Å; M204-T206 HydrophobicContact SD-CG2 3.83Å; T206-S208 PolarHBondContact O-N 3.26Å |
| 207 | E | 44.3 | Very low | 52.1 | Low | 164 Ų | 164 | 151.6 Ų | 151.6 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -94 | 91.1 | 159.4 | -166.8 | 72.8 | -123.2 | 0 | 0 | 108 | E205 | E205-E207 PolarHBondContact O-N 3.15Š|
| 208 | S | 51.1 | Low | 51.5 | Low | 87 Ų | 87 | 150.9 Ų | 150.9 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | -88.3 | 113.3 | 173 | -66.4 | 0 | 0 | 0 | 0 | 110 | T206 | T206-S208 PolarHBondContact O-N 3.26Š|
| 209 | Q | 48.2 | Very low | 50.9 | Low | 135 Ų | 135 | 150 Ų | 150 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | | | trans | -145.5 | 112.8 | 151.6 | -70.8 | -77.5 | -39.2 | 0 | 0 | 110 | | |
| 210 | P | 56.9 | Low | 49.6 | Very low | 125 Ų | 125 | 148 Ų | 148 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | -103.4 | 102.7 | 150.2 | 32.4 | -22.5 | 0 | 0 | 0 | 108.1 | | |
| 211 | K | 48.2 | Very low | 48.8 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | trans | -119.8 | 106 | 163.6 | -88.5 | 174.9 | -179.6 | 161.6 | 0 | 109.4 | L213 | K211-L213 PolarHBondContact O-N 3.22Š|
| 212 | R | 56 | Low | 47.7 | Very low | 227 Ų | 227 | 141 Ų | 141 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | | | trans | -32.4 | 129.4 | 161.8 | -71 | 171.5 | -66.6 | 158.5 | 2.7 | 111.1 | | |
| 213 | L | 50.8 | Low | 47.1 | Very low | 175 Ų | 175 | 143 Ų | 143 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | | | trans | -132.8 | 94.3 | 149.4 | -59.3 | 169.4 | 0 | 0 | 0 | 105.6 | K211 | K211-L213 PolarHBondContact O-N 3.22Š|
| 214 | F | 44.3 | Very low | 46.8 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | -84.7 | 152.1 | 159.4 | -98.1 | -89.9 | 0 | 0 | 0 | 108 | | |
| 215 | Q | 48.7 | Very low | 46.1 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | | | trans | 97.5 | 117.6 | 178.9 | -60.1 | 168.8 | 26.3 | 0 | 0 | 112.8 | | |
| 216 | G | 41.8 | Very low | 45.5 | Very low | 66 Ų | 66 | 137.3 Ų | 137.3 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | | | cis | -172.8 | 156.9 | 5.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 217 | T | 45.3 | Very low | 45 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | trans | 42 | 115.2 | 139.3 | 48.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 218 | T | 49.3 | Very low | 44.6 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | | | | 57.6 | 123.1 | 127.5 | 68.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 219 | T | 41.2 | Very low | 44 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | | 157.8 | 105.2 | 128.6 | 53.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 220 | M | 35.7 | Very low | 43.6 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | | | | 58.4 | 109.5 | 94.4 | -67.5 | -68.9 | -78.6 | 0 | 0 | 114.9 | | |
| 221 | L | 52.2 | Low | 42.9 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | 51.9 | 126.5 | 143.6 | -51.5 | 175.6 | 0 | 0 | 0 | 120.1 | | |
| 222 | S | 33.4 | Very low | 42.4 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -163.9 | 120.2 | 130.2 | -157.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 223 | S | 40.2 | Very low | 41.2 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -96.4 | 174.8 | 162.1 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 224 | D | 38.7 | Very low | 40.5 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | 83.6 | 142.2 | 161.5 | -76.5 | -20.4 | 0 | 0 | 0 | 118.1 | | |
| 225 | A | 39.5 | Very low | 40 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 65% | 0.653 | 79% | 0.79 | S | S | * | * | | | cis | -171 | 179.9 | 3.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 226 | S | 35.6 | Very low | 39.5 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | 95.4 | 131.9 | 153 | 82.6 | 0 | 0 | 0 | 0 | 116 | | |
| 227 | N | 43 | Very low | 40.1 | Very low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | | | cis | -148.8 | 133.3 | 21.5 | -75.1 | -87 | 0 | 0 | 0 | 108.4 | | |
| 228 | L | 37.2 | Very low | 39.5 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | | 48 | 106 | 87.1 | -128.5 | 110.4 | 0 | 0 | 0 | 115.1 | | |
| 229 | S | 38.2 | Very low | 39.3 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -172.8 | 93.1 | 144.8 | -73.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 230 | D | 39.1 | Very low | 39.5 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | -68.5 | 140.4 | 154.3 | -87.4 | -41.5 | 0 | 0 | 0 | 109.2 | | |
| 231 | L | 42.5 | Very low | 39.7 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | | 174.6 | 122.5 | 128.7 | -90.6 | 153.6 | 0 | 0 | 0 | 111.3 | | |
| 232 | S | 36.7 | Very low | 39.1 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -42.9 | 151.3 | 166.9 | 54 | 0 | 0 | 0 | 0 | 116.2 | | |
| 233 | S | 32 | Very low | 39.6 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | | 159.4 | 116.6 | 113.9 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 234 | C | 36.4 | Very low | 39.7 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | | | trans | 26.7 | 122.9 | 145.7 | -51.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 235 | H | 32.9 | Very low | 39.7 | Very low | 198 Ų | 198 | 130.8 Ų | 130.8 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | | | | -174.5 | 119.7 | 127.3 | -83 | -58.1 | 0 | 0 | 0 | 109.3 | | |
| 236 | S | 37.7 | Very low | 39.8 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -98.7 | 177.4 | 163.5 | -51.1 | 0 | 0 | 0 | 0 | 109 | | |
| 237 | P | 55.5 | Low | 40.2 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | cis | -133.1 | 175 | -4.8 | 39 | -20.9 | 0 | 0 | 0 | 113.8 | | |
| 238 | D | 32.4 | Very low | 40.2 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | | | | -179 | 144.2 | 122 | -113.1 | -10 | 0 | 0 | 0 | 114.9 | | |
| 239 | L | 44.7 | Very low | 40.2 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | | | trans | 33 | 120.4 | 161 | -85.6 | 91.3 | 0 | 0 | 0 | 120.3 | | |
| 240 | L | 45.1 | Very low | 40.6 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | | -173.6 | 107.6 | 117.2 | -85.1 | -173.4 | 0 | 0 | 0 | 107.1 | | |
| 241 | D | 41.1 | Very low | 40.5 | Very low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | | | | 53.8 | 119.1 | 111.8 | -166.6 | 34.3 | 0 | 0 | 0 | 115.3 | | |
| 242 | G | 38.3 | Very low | 40.2 | Very low | 70 Ų | 70 | 129 Ų | 129 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | 165.2 | 62.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L244 | G242-L244 PolarHBondContact O-N 2.95Š|
| 243 | S | 45.3 | Very low | 40.5 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -61.7 | 113.5 | 171.5 | -65.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 244 | L | 41.5 | Very low | 41.1 | Very low | 165 Ų | 165 | 130 Ų | 130 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -131.3 | 108.7 | 157 | -69.9 | 177.6 | 0 | 0 | 0 | 109 | G242 S246 | G242-L244 PolarHBondContact O-N 2.95Å; L244-S246 PolarHBondContact O-N 3.24Å |
| 245 | S | 39.6 | Very low | 41.2 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -64 | 117.8 | 173 | 36.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 246 | S | 40.3 | Very low | 41.6 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -134.4 | 93.5 | 162.4 | -63.7 | 0 | 0 | 0 | 0 | 107.7 | L244 S248 | L244-S246 PolarHBondContact O-N 3.24Å; S246-S248 PolarHBondContact O-N 3.38Å |
| 247 | I | 43.7 | Very low | 41.6 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 92% | 0.918 | 80% | 0.801 | S | S | * | * | | | trans | -70.1 | 104.1 | 170.9 | 38.1 | 153.8 | 0 | 0 | 0 | 109.4 | | |
| 248 | S | 44 | Very low | 40.4 | Very low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -134.2 | 106.2 | 159.5 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | S246 | S246-S248 PolarHBondContact O-N 3.38Š|
| 249 | S | 37.4 | Very low | 40.6 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | -155.7 | 109.3 | 158.8 | -176.3 | 0 | 0 | 0 | 0 | 105.4 | | |
| 250 | S | 46.1 | Very low | 40.2 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | | | | 62.8 | 134.4 | 69.1 | 170.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 251 | T | 38.1 | Very low | 40.3 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | | | trans | 89.2 | 137 | -179.1 | 83.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 252 | D | 35.8 | Very low | 40.7 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | cis | -161 | 168.2 | 14.8 | -170.2 | 17.2 | 0 | 0 | 0 | 109.6 | | |
| 253 | S | 42.9 | Very low | 40.6 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 156.1 | -170.6 | -52.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 254 | P | 44.8 | Very low | 40.3 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -89 | 130.8 | 173.5 | 33.8 | -30.2 | 0 | 0 | 0 | 113.3 | | |
| 255 | G | 38.5 | Very low | 40.2 | Very low | 79 Ų | 79 | 127.6 Ų | 127.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79 | 151.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 256 | K | 40.9 | Very low | 40.4 | Very low | 202 Ų | 202 | 127.1 Ų | 127.1 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 148 | -179.8 | -76.9 | -154.3 | 157.8 | -162.8 | 0 | 115 | | |
| 257 | M | 37.3 | Very low | 40.4 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | | | | 160.8 | 111.9 | 120.7 | 64.9 | -176.9 | 176.6 | 0 | 0 | 109.1 | | |
| 258 | E | 31.3 | Very low | 40.5 | Very low | 201 Ų | 201 | 125.5 Ų | 125.5 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | | | | 78 | 113.1 | 95.8 | -161.5 | 158 | -155.4 | 0 | 0 | 113.9 | | |
| 259 | G | 35.1 | Very low | 40.7 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | 171.6 | 69.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 260 | V | 36.4 | Very low | 40.8 | Very low | 143 Ų | 143 | 130 Ų | 130 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | | | trans | 50.3 | 102.9 | 146.5 | 64 | 0 | 0 | 0 | 0 | 121.2 | | |
| 261 | S | 48.7 | Very low | 40.8 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | trans | -9.4 | 156.6 | 137.8 | -72.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 262 | P | 49.5 | Very low | 40.8 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | | | cis | -139.1 | 160.7 | 44.7 | 37.4 | -16.9 | 0 | 0 | 0 | 118.5 | | |
| 263 | S | 35.8 | Very low | 41.3 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | | | trans | -95.4 | 163.8 | -179.2 | 38.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 264 | S | 38.3 | Very low | 41.5 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | | | trans | 88.4 | 116.3 | 146.7 | -58.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 265 | S | 39.2 | Very low | 41.4 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | | | | -171.6 | 92.2 | 120.3 | 33.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 266 | S | 44.1 | Very low | 42.1 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -81.3 | 124.7 | 141.5 | 163.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 267 | N | 40 | Very low | 42.6 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | 178.4 | 118.2 | 141.9 | -86.5 | -15.3 | 0 | 0 | 0 | 110.4 | | |
| 268 | S | 46 | Very low | 44.2 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -65.5 | 150.6 | 163.3 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 269 | P | 49 | Very low | 44.9 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | trans | -132.3 | 140 | 139.6 | 31 | -15.6 | 0 | 0 | 0 | 112.7 | | |
| 270 | F | 39.3 | Very low | 45.4 | Very low | 202 Ų | 202 | 138.7 Ų | 138.7 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | | | trans | -58 | 141.8 | 163.3 | -88 | -97.9 | 0 | 0 | 0 | 111.4 | | |
| 271 | T | 45.5 | Very low | 45.9 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | | | trans | -123.9 | 129.3 | 148.8 | 53.6 | 0 | 0 | 0 | 0 | 110 | | |
| 272 | S | 38.6 | Very low | 45.7 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | | | trans | -83.2 | 137.9 | 177.8 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 273 | L | 46.9 | Very low | 45.5 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | | | trans | -144.6 | 98.1 | 152.2 | -106.6 | 166.2 | 0 | 0 | 0 | 108.8 | | |
| 274 | Q | 46.2 | Very low | 46.1 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | | | trans | -49.7 | 157.9 | 150.4 | -92.3 | 152.9 | -11.4 | 0 | 0 | 110.3 | | |
| 275 | D | 43.7 | Very low | 46.6 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 69% | 0.69 | 83% | 0.825 | S | S | * | * | | | cis | -174.9 | 151.6 | 20.2 | 162 | 32.7 | 0 | 0 | 0 | 105.4 | | |
| 276 | L | 51.9 | Low | 47.1 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | | | trans | -172 | 98.3 | 146.8 | -92.1 | -177.3 | 0 | 0 | 0 | 109 | | |
| 277 | S | 52.3 | Low | 47.4 | Very low | 98 Ų | 98 | 150.3 Ų | 150.3 | 69% | 0.685 | 83% | 0.825 | S | S | * | * | | | trans | -65.3 | -173.9 | 159.2 | -70.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 278 | P | 70.3 | Confident | 48 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | | | cis | -129.6 | -175.2 | 1.8 | 36.3 | -13.6 | 0 | 0 | 0 | 112.3 | | |
| 279 | K | 45.8 | Very low | 48.1 | Very low | 270 Ų | 270 | 154.2 Ų | 154.2 | 100% | 1.174 | 83% | 0.833 | S | S | * | * | | | cis | -162.1 | 0 | 32 | -167.9 | -177.3 | -176.2 | 85.9 | 0 | 109 | | |