OYL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CT | CZ | sing | 1.53Å | 1.51Å | |
| CZ | NE2 | sing | 1.47Å | 1.49Å | |
| CD2 | NE2 | sing | 1.37Å | 1.35Å | Aromatic |
| CD2 | CG | doub | 1.35Å | 1.38Å | Aromatic |
| NE2 | CE1 | sing | 1.35Å | 1.34Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.53Å | |
| CG | ND1 | sing | 1.34Å | 1.37Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CE1 | ND1 | doub | 1.30Å | 1.34Å | Aromatic |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CD2 | H7 | sing | 1.08Å | 1.08Å | |
| CE1 | H8 | sing | 1.08Å | 1.08Å | |
| CZ | H9 | sing | 1.09Å | 1.10Å | |
| CZ | H10 | sing | 1.09Å | 1.10Å | |
| CT | H11 | sing | 1.09Å | 1.10Å | |
| CT | H12 | sing | 1.09Å | 1.10Å | |
| CT | H13 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CT | CZ | NE2 | 113.2° | 109.4° |
| CT | CZ | H9 | 108.6° | 109.5° |
| CT | CZ | H10 | 108.5° | 109.4° |
| CZ | CT | H11 | 109.5° | 109.5° |
| CZ | CT | H12 | 109.5° | 109.4° |
| CZ | CT | H13 | 109.5° | 109.5° |
| CZ | NE2 | CD2 | 127.3° | 126.4° |
| CZ | NE2 | CE1 | 123.8° | 126.4° |
| NE2 | CZ | H9 | 108.5° | 109.5° |
| NE2 | CZ | H10 | 108.5° | 109.4° |
| NE2 | CD2 | CG | 108.1° | 106.8° |
| CD2 | NE2 | CE1 | 108.9° | 107.2° |
| NE2 | CD2 | H7 | 126.0° | 126.6° |
| CD2 | CG | CB | 128.8° | 126.0° |
| CD2 | CG | ND1 | 105.5° | 108.0° |
| CG | CD2 | H7 | 125.9° | 126.6° |
| NE2 | CE1 | ND1 | 107.5° | 108.7° |
| NE2 | CE1 | H8 | 126.2° | 125.7° |
| CB | CG | ND1 | 125.6° | 126.0° |
| CG | CB | CA | 115.4° | 109.5° |
| CG | CB | H5 | 108.0° | 109.5° |
| CG | CB | H6 | 108.0° | 109.4° |
| CG | ND1 | CE1 | 109.9° | 109.3° |
| CB | CA | N | 111.5° | 109.4° |
| CB | CA | C | 114.0° | 109.5° |
| CB | CA | HA | 106.5° | 109.5° |
| CA | CB | H5 | 108.0° | 109.5° |
| CA | CB | H6 | 107.9° | 109.5° |
| ND1 | CE1 | H8 | 126.2° | 125.7° |
| N | CA | C | 110.7° | 109.5° |
| N | CA | HA | 107.1° | 109.4° |
| CA | N | H2 | 109.5° | 110.9° |
| CA | N | H | 109.5° | 111.0° |
| CA | C | O | 118.1° | 120.0° |
| CA | C | OXT | 119.0° | 120.0° |
| C | CA | HA | 106.5° | 109.5° |
| O | C | OXT | 122.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H2 | N | H | 109.4° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H9 | CZ | H10 | 109.5° | 109.5° |
| H11 | CT | H12 | 109.5° | 109.5° |
| H11 | CT | H13 | 109.5° | 109.5° |
| H12 | CT | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CT | CZ | NE2 | H9 | 120.5° | 120.1° |
| CT | CZ | NE2 | H10 | 120.5° | 119.9° |
| CT | CZ | NE2 | CD2 | 25.0° | 90.0° |
| CT | CZ | NE2 | CE1 | 153.9° | 90.1° |
| CT | CZ | H9 | H10 | 118.3° | 120.0° |
| CZ | CT | H11 | H12 | 120.0° | 120.0° |
| CZ | CT | H11 | H13 | 120.0° | 120.1° |
| CZ | CT | H12 | H13 | 120.0° | 120.0° |
| CZ | NE2 | CD2 | CE1 | 179.0° | 179.9° |
| CZ | NE2 | CD2 | CG | 179.5° | 179.9° |
| CZ | NE2 | CE1 | ND1 | 179.2° | 179.8° |
| CZ | NE2 | CD2 | H7 | 0.5° | 0.0° |
| CZ | NE2 | CE1 | H8 | 0.8° | 0.1° |
| NE2 | CZ | H9 | H10 | 118.3° | 120.0° |
| NE2 | CZ | CT | H11 | 180.0° | 59.9° |
| NE2 | CZ | CT | H12 | 60.0° | 60.1° |
| NE2 | CZ | CT | H13 | 60.0° | 180.0° |
| NE2 | CD2 | CG | H7 | 180.0° | 180.0° |
| NE2 | CD2 | CG | CB | 178.9° | 179.9° |
| NE2 | CD2 | CG | ND1 | 0.6° | 0.3° |
| CD2 | NE2 | CE1 | ND1 | 1.8° | 0.3° |
| CD2 | NE2 | CE1 | H8 | 178.2° | 179.9° |
| CD2 | NE2 | CZ | H9 | 145.5° | 150.0° |
| CD2 | NE2 | CZ | H10 | 95.6° | 29.9° |
| CG | CD2 | NE2 | CE1 | 1.5° | 0.0° |
| CD2 | CG | CB | ND1 | 178.0° | 179.6° |
| CD2 | CG | CB | CA | 98.6° | 125.3° |
| CD2 | CG | ND1 | CE1 | 0.5° | 0.4° |
| CD2 | CG | CB | H5 | 22.3° | 5.3° |
| CD2 | CG | CB | H6 | 140.5° | 114.7° |
| NE2 | CE1 | ND1 | CG | 1.4° | 0.5° |
| NE2 | CE1 | ND1 | H8 | 180.0° | 179.7° |
| CE1 | NE2 | CD2 | H7 | 178.5° | 179.9° |
| CE1 | NE2 | CZ | H9 | 33.3° | 29.9° |
| CE1 | NE2 | CZ | H10 | 85.6° | 150.0° |
| CG | CB | CA | H5 | 120.9° | 120.0° |
| CG | CB | CA | H6 | 120.9° | 120.0° |
| CB | CG | ND1 | CE1 | 177.8° | 179.9° |
| CG | CB | CA | N | 67.1° | 65.0° |
| CG | CB | CA | C | 59.2° | 175.0° |
| CG | CB | CA | HA | 176.4° | 55.0° |
| CG | CB | H5 | H6 | 117.3° | 120.0° |
| CB | CG | CD2 | H7 | 1.1° | 0.1° |
| ND1 | CG | CB | CA | 83.4° | 55.0° |
| ND1 | CG | CB | H5 | 155.7° | 175.0° |
| ND1 | CG | CB | H6 | 37.4° | 65.0° |
| ND1 | CG | CD2 | H7 | 179.4° | 179.8° |
| CG | ND1 | CE1 | H8 | 178.5° | 179.9° |
| CB | CA | N | C | 128.1° | 120.0° |
| CB | CA | N | HA | 116.2° | 120.0° |
| CB | CA | C | HA | 117.2° | 120.0° |
| CB | CA | C | O | 80.1° | 100.0° |
| CB | CA | C | OXT | 91.8° | 79.8° |
| CB | CA | N | H2 | 180.0° | 60.0° |
| CB | CA | N | H | 60.0° | 63.9° |
| CA | CB | H5 | H6 | 117.3° | 120.0° |
| N | CA | C | HA | 116.1° | 120.0° |
| N | CA | C | O | 153.2° | 20.0° |
| N | CA | C | OXT | 34.9° | 160.2° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | CB | H5 | 53.8° | 55.0° |
| N | CA | CB | H6 | 172.1° | 175.0° |
| CA | C | O | OXT | 171.6° | 179.8° |
| C | CA | N | H2 | 51.9° | 60.0° |
| C | CA | N | H | 68.1° | 176.1° |
| C | CA | CB | H5 | 179.9° | 65.0° |
| C | CA | CB | H6 | 61.7° | 55.0° |
| CA | C | OXT | HXT | 171.5° | 179.7° |
| O | C | CA | HA | 37.1° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | HA | 151.0° | 40.3° |
| HA | CA | N | H2 | 63.9° | 180.0° |
| HA | CA | N | H | 176.1° | 56.1° |
| HA | CA | CB | H5 | 62.7° | 175.0° |
| HA | CA | CB | H6 | 55.5° | 65.0° |
| H9 | CZ | CT | H11 | 59.5° | 180.0° |
| H9 | CZ | CT | H12 | 60.5° | 60.0° |
| H9 | CZ | CT | H13 | 179.4° | 59.9° |
| H10 | CZ | CT | H11 | 59.5° | 60.0° |
| H10 | CZ | CT | H12 | 179.5° | 180.0° |
| H10 | CZ | CT | H13 | 60.5° | 60.1° |
| H11 | CT | H12 | H13 | 120.0° | 120.0° |
