A1L7K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OD2 | CD2 | doub | 1.21Å | 1.18Å | |
| NE2 | CD2 | sing | 1.33Å | 1.50Å | |
| NE2 | CF | sing | 1.46Å | 1.53Å | |
| CD2 | CG | sing | 1.50Å | 1.57Å | |
| CF | CE1 | sing | 1.53Å | 1.48Å | |
| CG | CB | sing | 1.53Å | 1.57Å | |
| CG | CD1 | sing | 1.53Å | 1.47Å | |
| CE1 | CD1 | sing | 1.53Å | 1.47Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| C | OXT | sing | 1.34Å | 1.42Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CB | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| CD1 | H7 | sing | 1.09Å | 1.10Å | |
| CD1 | H8 | sing | 1.09Å | 1.10Å | |
| CE1 | H9 | sing | 1.09Å | 1.10Å | |
| CE1 | H10 | sing | 1.09Å | 1.10Å | |
| CF | H11 | sing | 1.09Å | 1.10Å | |
| CF | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| N | H14 | sing | 1.01Å | 1.00Å | |
| NE2 | H16 | sing | 0.97Å | 1.00Å | |
| OXT | H17 | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.53Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OD2 | CD2 | NE2 | 119.8° | 118.2° |
| OD2 | CD2 | CG | 121.7° | 118.3° |
| CD2 | NE2 | CF | 120.5° | 124.1° |
| NE2 | CD2 | CG | 118.5° | 123.5° |
| CD2 | NE2 | H16 | 119.8° | 118.0° |
| NE2 | CF | CE1 | 112.0° | 110.5° |
| NE2 | CF | H11 | 108.9° | 109.3° |
| NE2 | CF | H12 | 108.9° | 109.2° |
| CF | NE2 | H16 | 119.7° | 117.9° |
| CD2 | CG | CB | 105.5° | 109.4° |
| CD2 | CG | CD1 | 113.0° | 109.9° |
| CD2 | CG | H6 | 108.6° | 109.3° |
| CF | CE1 | CD1 | 113.0° | 108.7° |
| CF | CE1 | H9 | 108.6° | 109.6° |
| CF | CE1 | H10 | 108.6° | 109.7° |
| CE1 | CF | H11 | 108.8° | 109.3° |
| CE1 | CF | H12 | 108.8° | 109.3° |
| CB | CG | CD1 | 111.1° | 109.4° |
| CG | CB | CA | 109.0° | 109.5° |
| CG | CB | H2 | 109.6° | 109.5° |
| CG | CB | H3 | 109.6° | 109.4° |
| CB | CG | H6 | 108.5° | 109.4° |
| CG | CD1 | CE1 | 114.5° | 108.4° |
| CD1 | CG | H6 | 109.9° | 109.4° |
| CG | CD1 | H7 | 108.2° | 109.7° |
| CG | CD1 | H8 | 108.2° | 109.7° |
| CE1 | CD1 | H7 | 108.2° | 109.6° |
| CE1 | CD1 | H8 | 108.2° | 109.7° |
| CD1 | CE1 | H9 | 108.6° | 109.6° |
| CD1 | CE1 | H10 | 108.6° | 109.6° |
| CB | CA | N | 110.8° | 109.5° |
| CB | CA | C | 114.3° | 109.5° |
| CB | CA | H1 | 109.9° | 109.4° |
| CA | CB | H2 | 109.6° | 109.5° |
| CA | CB | H3 | 109.6° | 109.5° |
| N | CA | C | 100.4° | 109.5° |
| N | CA | H1 | 111.2° | 109.5° |
| CA | N | H13 | 109.5° | 111.0° |
| CA | N | H14 | 109.5° | 111.0° |
| CA | C | OXT | 109.1° | 120.0° |
| C | CA | H1 | 110.0° | 109.5° |
| CA | C | O | 107.5° | 120.0° |
| C | OXT | H17 | 109.5° | 117.0° |
| OXT | C | O | 110.2° | 120.0° |
| H2 | CB | H3 | 109.5° | 109.5° |
| H7 | CD1 | H8 | 109.4° | 109.7° |
| H9 | CE1 | H10 | 109.5° | 109.6° |
| H11 | CF | H12 | 109.4° | 109.2° |
| H13 | N | H14 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OD2 | CD2 | NE2 | CG | 177.9° | 179.9° |
| OD2 | CD2 | NE2 | CF | 178.2° | 177.8° |
| OD2 | CD2 | CG | CB | 48.5° | 42.3° |
| OD2 | CD2 | CG | CD1 | 170.2° | 162.5° |
| OD2 | CD2 | CG | H6 | 67.6° | 77.5° |
| OD2 | CD2 | NE2 | H16 | 1.8° | 2.1° |
| CD2 | NE2 | CF | H16 | 180.0° | 179.9° |
| CD2 | NE2 | CF | CE1 | 16.5° | 19.1° |
| NE2 | CD2 | CG | CB | 129.3° | 137.7° |
| NE2 | CD2 | CG | CD1 | 7.7° | 17.6° |
| NE2 | CD2 | CG | H6 | 114.5° | 102.5° |
| CD2 | NE2 | CF | H11 | 136.9° | 101.2° |
| CD2 | NE2 | CF | H12 | 103.9° | 139.3° |
| CF | NE2 | CD2 | CG | 3.9° | 2.3° |
| NE2 | CF | CE1 | H11 | 120.4° | 120.3° |
| NE2 | CF | CE1 | H12 | 120.4° | 120.2° |
| NE2 | CF | CE1 | CD1 | 49.5° | 50.7° |
| NE2 | CF | CE1 | H9 | 71.0° | 170.5° |
| NE2 | CF | CE1 | H10 | 170.1° | 69.1° |
| NE2 | CF | H11 | H12 | 118.9° | 119.4° |
| CD2 | CG | CB | CD1 | 122.9° | 120.4° |
| CD2 | CG | CB | H6 | 116.2° | 119.7° |
| CD2 | CG | CD1 | H6 | 121.5° | 120.0° |
| CD2 | CG | CD1 | CE1 | 40.8° | 48.9° |
| CD2 | CG | CB | CA | 173.6° | 174.2° |
| CD2 | CG | CB | H2 | 66.5° | 54.2° |
| CD2 | CG | CB | H3 | 53.6° | 65.8° |
| CD2 | CG | CD1 | H7 | 80.0° | 70.8° |
| CD2 | CG | CD1 | H8 | 161.5° | 168.7° |
| CG | CD2 | NE2 | H16 | 176.1° | 177.8° |
| CF | CE1 | CD1 | CG | 64.8° | 67.5° |
| CF | CE1 | CD1 | H9 | 120.5° | 119.8° |
| CF | CE1 | CD1 | H10 | 120.5° | 119.9° |
| CF | CE1 | CD1 | H7 | 55.9° | 52.2° |
| CF | CE1 | CD1 | H8 | 174.4° | 172.7° |
| CF | CE1 | H9 | H10 | 118.4° | 120.5° |
| CE1 | CF | H11 | H12 | 118.8° | 119.5° |
| CE1 | CF | NE2 | H16 | 163.5° | 161.0° |
| CB | CG | CD1 | H6 | 120.1° | 119.9° |
| CB | CG | CD1 | CE1 | 159.1° | 169.0° |
| CG | CB | CA | H2 | 120.0° | 120.0° |
| CG | CB | CA | H3 | 119.9° | 120.0° |
| CG | CB | CA | N | 59.7° | 65.1° |
| CG | CB | CA | C | 172.2° | 174.9° |
| CG | CB | CA | H1 | 63.6° | 54.9° |
| CG | CB | H2 | H3 | 120.2° | 120.0° |
| CB | CG | CD1 | H7 | 38.4° | 49.3° |
| CB | CG | CD1 | H8 | 80.1° | 71.2° |
| CG | CD1 | CE1 | H7 | 120.8° | 119.7° |
| CG | CD1 | CE1 | H8 | 120.8° | 119.8° |
| CD1 | CG | CB | CA | 63.5° | 65.4° |
| CD1 | CG | CB | H2 | 56.4° | 174.6° |
| CD1 | CG | CB | H3 | 176.5° | 54.6° |
| CG | CD1 | H7 | H8 | 117.7° | 120.5° |
| CG | CD1 | CE1 | H9 | 55.7° | 172.7° |
| CG | CD1 | CE1 | H10 | 174.7° | 52.5° |
| CE1 | CD1 | CG | H6 | 80.7° | 71.1° |
| CE1 | CD1 | H7 | H8 | 117.7° | 120.6° |
| CD1 | CE1 | H9 | H10 | 118.4° | 120.3° |
| CD1 | CE1 | CF | H11 | 170.0° | 69.6° |
| CD1 | CE1 | CF | H12 | 70.9° | 170.9° |
| CB | CA | N | C | 121.2° | 120.0° |
| CB | CA | N | H1 | 122.5° | 120.0° |
| CB | CA | C | H1 | 124.2° | 120.0° |
| CB | CA | C | OXT | 164.9° | 80.0° |
| CA | CB | H2 | H3 | 120.2° | 120.1° |
| CA | CB | CG | H6 | 57.4° | 54.5° |
| CB | CA | N | H13 | 180.0° | 176.0° |
| CB | CA | N | H14 | 60.0° | 60.0° |
| CB | CA | C | O | 75.7° | 100.0° |
| N | CA | C | H1 | 117.2° | 120.0° |
| N | CA | C | OXT | 46.3° | 160.0° |
| N | CA | CB | H2 | 179.6° | 54.9° |
| N | CA | CB | H3 | 60.2° | 175.0° |
| CA | N | H13 | H14 | 120.0° | 124.0° |
| N | CA | C | O | 165.8° | 20.0° |
| CA | C | OXT | O | 117.8° | 180.0° |
| C | CA | CB | H2 | 67.8° | 65.1° |
| C | CA | CB | H3 | 52.3° | 55.0° |
| C | CA | N | H13 | 58.8° | 64.0° |
| C | CA | N | H14 | 61.2° | 60.0° |
| CA | C | OXT | H17 | 117.8° | 180.0° |
| OXT | C | CA | H1 | 70.9° | 40.0° |
| H1 | CA | CB | H2 | 56.4° | 174.9° |
| H1 | CA | CB | H3 | 176.5° | 65.0° |
| H1 | CA | N | H13 | 57.5° | 56.1° |
| H1 | CA | N | H14 | 177.5° | 180.0° |
| H1 | CA | C | O | 48.5° | 140.0° |
| H2 | CB | CG | H6 | 177.3° | 65.5° |
| H3 | CB | CG | H6 | 62.6° | 174.5° |
| H6 | CG | CD1 | H7 | 158.5° | 169.2° |
| H6 | CG | CD1 | H8 | 40.1° | 48.7° |
| H7 | CD1 | CE1 | H9 | 176.5° | 67.6° |
| H7 | CD1 | CE1 | H10 | 64.6° | 172.1° |
| H8 | CD1 | CE1 | H9 | 65.1° | 52.9° |
| H8 | CD1 | CE1 | H10 | 53.9° | 67.3° |
| H9 | CE1 | CF | H11 | 49.4° | 50.2° |
| H9 | CE1 | CF | H12 | 168.6° | 69.3° |
| H10 | CE1 | CF | H11 | 69.5° | 170.5° |
| H10 | CE1 | CF | H12 | 49.7° | 51.0° |
| H11 | CF | NE2 | H16 | 43.1° | 78.7° |
| H12 | CF | NE2 | H16 | 76.1° | 40.8° |
| H17 | OXT | C | O | 0.0° | 0.0° |
