3CT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OH | CZ | sing | 1.36Å | 1.37Å | |
| CE1 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.40Å | Aromatic |
| CD1 | CG | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CD2 | doub | 1.38Å | 1.40Å | Aromatic |
| CE2 | CL | sing | 1.74Å | 1.52Å | |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.50Å | |
| CB | CA | sing | 1.53Å | 1.49Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OH | CZ | CE1 | 118.7° | 120.0° |
| OH | CZ | CE2 | 120.3° | 120.0° |
| CZ | OH | HH | 109.5° | 114.0° |
| CZ | CE1 | CD1 | 120.4° | 119.9° |
| CE1 | CZ | CE2 | 121.0° | 119.9° |
| CZ | CE1 | HE1 | 119.8° | 120.1° |
| CE1 | CD1 | CG | 119.8° | 120.1° |
| CD1 | CE1 | HE1 | 119.8° | 120.0° |
| CE1 | CD1 | HD1 | 120.1° | 120.0° |
| CZ | CE2 | CD2 | 117.9° | 119.9° |
| CZ | CE2 | CL | 120.8° | 120.1° |
| CD1 | CG | CD2 | 119.6° | 120.1° |
| CD1 | CG | CB | 119.2° | 120.0° |
| CG | CD1 | HD1 | 120.1° | 119.9° |
| CD2 | CE2 | CL | 121.3° | 120.0° |
| CE2 | CD2 | CG | 121.3° | 120.1° |
| CE2 | CD2 | HD2 | 119.3° | 120.0° |
| CD2 | CG | CB | 121.0° | 120.0° |
| CG | CD2 | HD2 | 119.4° | 119.9° |
| CG | CB | CA | 117.3° | 109.5° |
| CG | CB | HB2 | 107.5° | 109.5° |
| CG | CB | HB3 | 107.5° | 109.5° |
| CB | CA | N | 111.5° | 109.5° |
| CB | CA | C | 109.5° | 109.5° |
| CB | CA | HA | 108.1° | 109.5° |
| CA | CB | HB2 | 107.5° | 109.5° |
| CA | CB | HB3 | 107.5° | 109.5° |
| N | CA | C | 110.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.8° | 109.5° |
| CA | C | O | 119.3° | 120.0° |
| CA | C | OXT | 117.2° | 120.0° |
| C | CA | HA | 108.0° | 109.5° |
| O | C | OXT | 123.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.4° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OH | CZ | CE1 | CE2 | 179.1° | 180.0° |
| OH | CZ | CE1 | CD1 | 179.6° | 179.7° |
| OH | CZ | CE2 | CD2 | 179.7° | 180.0° |
| OH | CZ | CE2 | CL | 0.3° | 0.0° |
| OH | CZ | CE1 | HE1 | 0.5° | 0.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.8° |
| CZ | CE1 | CD1 | CG | 1.7° | 0.5° |
| CE1 | CZ | CE2 | CD2 | 1.2° | 0.0° |
| CE1 | CZ | CE2 | CL | 179.4° | 180.0° |
| CE1 | CZ | OH | HH | 180.0° | 90.0° |
| CZ | CE1 | CD1 | HD1 | 178.3° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 1.3° | 0.3° |
| CE1 | CD1 | CG | HD1 | 180.0° | 179.6° |
| CE1 | CD1 | CG | CD2 | 1.9° | 0.5° |
| CE1 | CD1 | CG | CB | 178.7° | 179.8° |
| CZ | CE2 | CD2 | CL | 179.5° | 180.0° |
| CZ | CE2 | CD2 | CG | 1.4° | 0.0° |
| CZ | CE2 | CD2 | HD2 | 178.6° | 180.0° |
| CE2 | CZ | OH | HH | 0.9° | 90.0° |
| CE2 | CZ | CE1 | HE1 | 178.6° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.8° | 0.2° |
| CD1 | CG | CD2 | CB | 176.7° | 179.8° |
| CD1 | CG | CB | CA | 95.1° | 90.2° |
| CD1 | CG | CB | HB2 | 26.1° | 149.7° |
| CD1 | CG | CB | HB3 | 143.8° | 29.8° |
| CD1 | CG | CD2 | HD2 | 178.2° | 179.8° |
| CG | CD1 | CE1 | HE1 | 178.3° | 179.7° |
| CE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CE2 | CD2 | CG | CB | 178.5° | 180.0° |
| CL | CE2 | CD2 | CG | 179.2° | 180.0° |
| CL | CE2 | CD2 | HD2 | 0.9° | 0.0° |
| CD2 | CG | CB | CA | 88.2° | 90.0° |
| CD2 | CG | CB | HB2 | 150.7° | 30.1° |
| CD2 | CG | CB | HB3 | 32.9° | 150.0° |
| CD2 | CG | CD1 | HD1 | 178.2° | 180.0° |
| CG | CB | CA | HB2 | 121.1° | 120.1° |
| CG | CB | CA | HB3 | 121.1° | 120.0° |
| CG | CB | CA | N | 57.3° | 65.0° |
| CG | CB | CA | C | 65.8° | 175.0° |
| CG | CB | CA | HA | 176.7° | 55.0° |
| CG | CB | HB2 | HB3 | 116.5° | 120.0° |
| CB | CG | CD2 | HD2 | 1.5° | 0.0° |
| CB | CG | CD1 | HD1 | 1.4° | 0.2° |
| CB | CA | N | C | 122.3° | 120.0° |
| CB | CA | N | HA | 119.0° | 120.0° |
| CB | CA | C | HA | 117.5° | 120.0° |
| CB | CA | C | O | 103.6° | 99.9° |
| CB | CA | C | OXT | 76.2° | 80.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | HB2 | HB3 | 116.5° | 120.0° |
| N | CA | C | HA | 119.1° | 120.0° |
| N | CA | C | O | 19.9° | 20.1° |
| N | CA | C | OXT | 160.4° | 160.1° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 63.9° | 55.0° |
| N | CA | CB | HB3 | 178.4° | 175.0° |
| CA | C | O | OXT | 179.7° | 179.9° |
| C | CA | N | H | 57.7° | 64.0° |
| C | CA | N | H2 | 62.3° | 60.0° |
| C | CA | CB | HB2 | 173.0° | 64.9° |
| C | CA | CB | HB3 | 55.3° | 55.0° |
| CA | C | OXT | HXT | 179.7° | 180.0° |
| O | C | CA | HA | 139.0° | 140.1° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | HA | 41.3° | 40.0° |
| H | N | CA | HA | 61.0° | 56.0° |
| H2 | N | CA | HA | 179.0° | 180.0° |
| HA | CA | CB | HB2 | 55.6° | 175.1° |
| HA | CA | CB | HB3 | 62.2° | 65.0° |
| HE1 | CE1 | CD1 | HD1 | 1.7° | 0.2° |
