TYI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.37Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.39Å | 1.37Å | Aromatic |
| CE1 | I1 | sing | 2.10Å | 2.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.39Å | 1.38Å | Aromatic |
| CE2 | I2 | sing | 2.09Å | 2.40Å | |
| CZ | OH | sing | 1.36Å | 1.38Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.3° | 106.7° |
| CA | N | H2 | 112.3° | 106.6° |
| N | CA | CB | 109.3° | 109.5° |
| N | CA | C | 112.0° | 109.5° |
| N | CA | HA | 107.7° | 109.5° |
| H | N | H2 | 112.3° | 106.7° |
| CB | CA | C | 109.0° | 109.5° |
| CB | CA | HA | 110.8° | 109.5° |
| CA | CB | CG | 112.8° | 109.5° |
| CA | CB | HB2 | 111.0° | 109.5° |
| CA | CB | HB3 | 111.0° | 109.5° |
| C | CA | HA | 108.1° | 109.4° |
| CA | C | O | 120.1° | 120.1° |
| CA | C | OXT | 115.8° | 120.0° |
| CG | CB | HB2 | 111.0° | 109.5° |
| CG | CB | HB3 | 111.0° | 109.5° |
| CB | CG | CD1 | 121.0° | 120.0° |
| CB | CG | CD2 | 120.8° | 119.9° |
| HB2 | CB | HB3 | 99.3° | 109.4° |
| CD1 | CG | CD2 | 118.1° | 120.1° |
| CG | CD1 | CE1 | 118.6° | 120.1° |
| CG | CD1 | HD1 | 121.4° | 120.0° |
| CG | CD2 | CE2 | 122.5° | 120.0° |
| CG | CD2 | HD2 | 118.8° | 120.0° |
| CE1 | CD1 | HD1 | 120.0° | 119.9° |
| CD1 | CE1 | CZ | 123.4° | 119.9° |
| CD1 | CE1 | I1 | 119.9° | 120.0° |
| CZ | CE1 | I1 | 116.5° | 120.0° |
| CE1 | CZ | CE2 | 118.8° | 119.9° |
| CE1 | CZ | OH | 120.8° | 120.0° |
| CE2 | CD2 | HD2 | 118.7° | 120.0° |
| CD2 | CE2 | CZ | 118.7° | 119.9° |
| CD2 | CE2 | I2 | 118.4° | 120.0° |
| CZ | CE2 | I2 | 119.0° | 120.0° |
| CE2 | CZ | OH | 120.4° | 120.1° |
| CZ | OH | HH | 120.8° | 106.9° |
| O | C | OXT | 124.2° | 119.9° |
| C | OXT | HXT | 115.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.7° |
| N | CA | CB | C | 122.7° | 120.1° |
| N | CA | CB | HA | 118.5° | 120.0° |
| N | CA | C | HA | 118.4° | 120.0° |
| N | CA | CB | CG | 62.9° | 59.9° |
| N | CA | CB | HB2 | 62.3° | 60.1° |
| N | CA | CB | HB3 | 171.8° | 180.0° |
| N | CA | C | O | 103.6° | 30.0° |
| N | CA | C | OXT | 76.1° | 150.0° |
| H | N | CA | CB | 180.0° | 53.7° |
| H | N | CA | C | 59.1° | 173.7° |
| H | N | CA | HA | 59.6° | 66.3° |
| H2 | N | CA | CB | 54.7° | 60.1° |
| H2 | N | CA | C | 175.6° | 60.0° |
| H2 | N | CA | HA | 65.7° | 179.9° |
| CB | CA | C | HA | 120.5° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 116.9° | 120.0° |
| CA | CB | CG | CD1 | 93.3° | 90.0° |
| CA | CB | CG | CD2 | 86.5° | 90.3° |
| CB | CA | C | O | 17.5° | 90.1° |
| CB | CA | C | OXT | 162.8° | 90.0° |
| C | CA | CB | CG | 174.3° | 180.0° |
| C | CA | CB | HB2 | 60.5° | 60.0° |
| C | CA | CB | HB3 | 49.0° | 59.9° |
| CA | C | O | OXT | 179.7° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | CB | CG | 55.5° | 60.1° |
| HA | CA | CB | HB2 | 179.3° | 179.9° |
| HA | CA | CB | HB3 | 69.7° | 60.0° |
| HA | CA | C | O | 138.0° | 150.0° |
| HA | CA | C | OXT | 42.3° | 30.0° |
| CG | CB | HB2 | HB3 | 116.9° | 120.0° |
| CB | CG | CD1 | CD2 | 179.7° | 179.7° |
| CB | CG | CD1 | CE1 | 179.9° | 180.0° |
| CB | CG | CD1 | HD1 | 0.1° | 0.0° |
| CB | CG | CD2 | CE2 | 179.9° | 179.7° |
| CB | CG | CD2 | HD2 | 0.2° | 0.3° |
| HB2 | CB | CG | CD1 | 32.0° | 30.0° |
| HB2 | CB | CG | CD2 | 148.3° | 149.6° |
| HB3 | CB | CG | CD1 | 141.4° | 149.9° |
| HB3 | CB | CG | CD2 | 38.8° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CG | CD1 | CE1 | I1 | 175.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.7° |
| CD1 | CG | CD2 | HD2 | 179.9° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.4° |
| CD2 | CG | CD1 | HD1 | 179.9° | 179.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.4° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.6° |
| CG | CD2 | CE2 | I2 | 157.5° | 179.8° |
| CD1 | CE1 | CZ | I1 | 175.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.0° |
| CD1 | CE1 | CZ | OH | 179.8° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | I1 | 5.0° | 0.0° |
| CE1 | CZ | CE2 | CD2 | 0.2° | 0.3° |
| CE1 | CZ | CE2 | OH | 179.6° | 179.9° |
| CE1 | CZ | CE2 | I2 | 157.3° | 179.9° |
| CE1 | CZ | OH | HH | 179.9° | 89.9° |
| I1 | CE1 | CZ | CE2 | 175.2° | 180.0° |
| I1 | CE1 | CZ | OH | 5.2° | 0.0° |
| CD2 | CE2 | CZ | I2 | 157.5° | 179.6° |
| CD2 | CE2 | CZ | OH | 179.7° | 179.6° |
| HD2 | CD2 | CE2 | CZ | 179.9° | 180.0° |
| HD2 | CD2 | CE2 | I2 | 22.5° | 0.4° |
| CE2 | CZ | OH | HH | 0.4° | 90.0° |
| I2 | CE2 | CZ | OH | 22.2° | 0.0° |
| O | C | OXT | HXT | 0.3° | 0.0° |
