TYY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | sing | 1.47Å | 1.39Å | |
| CG | CD2 | doub | 1.34Å | 1.39Å | |
| CD1 | CE1 | sing | 1.41Å | 1.38Å | |
| CD1 | OZ | doub | 1.22Å | 1.23Å | |
| CD2 | CE2 | sing | 1.48Å | 1.37Å | |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.35Å | 1.39Å | |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.48Å | 1.37Å | |
| CE2 | N5 | doub | 1.30Å | 1.34Å | |
| CZ | OH | sing | 1.35Å | 1.37Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 114.0° | 106.7° |
| CA | N | H2 | 110.5° | 106.7° |
| N | CA | C | 114.0° | 109.5° |
| N | CA | CB | 111.2° | 109.5° |
| N | CA | HA | 103.9° | 109.4° |
| H | N | H2 | 110.6° | 106.7° |
| C | CA | CB | 105.1° | 109.5° |
| C | CA | HA | 110.1° | 109.5° |
| CA | C | O | 120.7° | 120.0° |
| CA | C | OXT | 116.0° | 120.0° |
| CB | CA | HA | 112.8° | 109.5° |
| CA | CB | CG | 115.8° | 109.5° |
| CA | CB | HB2 | 109.9° | 109.5° |
| CA | CB | HB3 | 109.9° | 109.5° |
| O | C | OXT | 123.3° | 120.0° |
| C | OXT | HXT | 116.0° | 119.9° |
| CG | CB | HB2 | 109.9° | 109.5° |
| CG | CB | HB3 | 109.9° | 109.4° |
| CB | CG | CD1 | 121.0° | 119.9° |
| CB | CG | CD2 | 119.9° | 119.9° |
| HB2 | CB | HB3 | 100.2° | 109.4° |
| CD1 | CG | CD2 | 119.1° | 120.2° |
| CG | CD1 | CE1 | 120.2° | 120.9° |
| CG | CD1 | OZ | 119.8° | 119.5° |
| CG | CD2 | CE2 | 120.5° | 119.4° |
| CG | CD2 | HD2 | 120.5° | 120.2° |
| CE1 | CD1 | OZ | 120.0° | 119.6° |
| CD1 | CE1 | CZ | 119.6° | 120.6° |
| CD1 | CE1 | HE1 | 120.0° | 119.7° |
| CE2 | CD2 | HD2 | 119.0° | 120.4° |
| CD2 | CE2 | CZ | 120.2° | 119.2° |
| CD2 | CE2 | N5 | 119.8° | 120.4° |
| CZ | CE1 | HE1 | 120.4° | 119.7° |
| CE1 | CZ | CE2 | 120.4° | 119.7° |
| CE1 | CZ | OH | 121.4° | 120.1° |
| CZ | CE2 | N5 | 120.0° | 120.5° |
| CE2 | CZ | OH | 118.2° | 120.2° |
| CE2 | N5 | HN5 | 117.7° | 119.9° |
| CZ | OH | HH | 121.4° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.7° |
| N | CA | C | CB | 122.0° | 120.0° |
| N | CA | C | HA | 116.2° | 119.9° |
| N | CA | CB | HA | 116.3° | 119.9° |
| N | CA | C | O | 40.3° | 30.0° |
| N | CA | C | OXT | 141.7° | 149.9° |
| N | CA | CB | CG | 39.5° | 60.0° |
| N | CA | CB | HB2 | 85.8° | 60.1° |
| N | CA | CB | HB3 | 164.7° | 179.9° |
| H | N | CA | C | 180.0° | 173.8° |
| H | N | CA | CB | 61.4° | 53.7° |
| H | N | CA | HA | 60.2° | 66.2° |
| H2 | N | CA | C | 54.7° | 60.0° |
| H2 | N | CA | CB | 63.9° | 60.0° |
| H2 | N | CA | HA | 174.5° | 179.9° |
| C | CA | CB | HA | 119.9° | 120.1° |
| CA | C | O | OXT | 177.8° | 179.9° |
| C | CA | CB | CG | 163.2° | 180.0° |
| C | CA | CB | HB2 | 38.0° | 60.0° |
| C | CA | CB | HB3 | 71.5° | 60.0° |
| CA | C | OXT | HXT | 179.9° | 179.9° |
| CB | CA | C | O | 81.7° | 90.1° |
| CB | CA | C | OXT | 96.3° | 90.0° |
| CA | CB | CG | HB2 | 125.3° | 120.1° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 115.7° | 120.0° |
| CA | CB | CG | CD1 | 94.9° | 90.3° |
| CA | CB | CG | CD2 | 86.3° | 90.0° |
| HA | CA | C | O | 156.5° | 149.9° |
| HA | CA | C | OXT | 25.5° | 30.0° |
| HA | CA | CB | CG | 76.8° | 59.9° |
| HA | CA | CB | HB2 | 157.9° | 180.0° |
| HA | CA | CB | HB3 | 48.5° | 60.0° |
| O | C | OXT | HXT | 2.0° | 0.0° |
| CG | CB | HB2 | HB3 | 115.7° | 119.9° |
| CB | CG | CD1 | CD2 | 178.8° | 179.7° |
| CB | CG | CD1 | CE1 | 178.6° | 179.8° |
| CB | CG | CD1 | OZ | 1.2° | 0.3° |
| CB | CG | CD2 | CE2 | 178.7° | 180.0° |
| CB | CG | CD2 | HD2 | 1.2° | 0.0° |
| HB2 | CB | CG | CD1 | 139.8° | 149.7° |
| HB2 | CB | CG | CD2 | 39.0° | 30.0° |
| HB3 | CB | CG | CD1 | 30.4° | 29.7° |
| HB3 | CB | CG | CD2 | 148.4° | 150.0° |
| CG | CD1 | CE1 | OZ | 179.8° | 179.5° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.5° |
| CG | CD1 | CE1 | HE1 | 179.8° | 179.7° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.5° |
| CD2 | CG | CD1 | OZ | 179.9° | 180.0° |
| CG | CD2 | CE2 | HD2 | 179.9° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CG | CD2 | CE2 | N5 | 179.9° | 179.9° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.8° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.3° |
| CD1 | CE1 | CZ | OH | 179.8° | 179.8° |
| OZ | CD1 | CE1 | CZ | 179.9° | 180.0° |
| OZ | CD1 | CE1 | HE1 | 0.0° | 0.3° |
| CD2 | CE2 | CZ | CE1 | 0.2° | 0.0° |
| CD2 | CE2 | CZ | N5 | 179.8° | 179.9° |
| CD2 | CE2 | CZ | OH | 179.7° | 180.0° |
| CD2 | CE2 | N5 | HN5 | 162.4° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.9° | 179.9° |
| HD2 | CD2 | CE2 | N5 | 0.0° | 0.0° |
| CE1 | CZ | CE2 | OH | 179.9° | 180.0° |
| CE1 | CZ | CE2 | N5 | 179.9° | 179.9° |
| CE1 | CZ | OH | HH | 180.0° | 0.0° |
| HE1 | CE1 | CZ | CE2 | 179.9° | 180.0° |
| HE1 | CE1 | CZ | OH | 0.1° | 0.0° |
| CZ | CE2 | N5 | HN5 | 17.5° | 0.1° |
| CE2 | CZ | OH | HH | 0.0° | 180.0° |
| N5 | CE2 | CZ | OH | 0.1° | 0.1° |
