OHS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.36Å | 1.26Å | |
| C | O | doub | 1.22Å | 1.25Å | |
| C | CA | sing | 1.52Å | 1.54Å | |
| CA | N | sing | 1.46Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA1 | sing | 1.10Å | 1.00Å | |
| N | H2 | sing | 1.00Å | 1.00Å | |
| N | H | sing | 0.99Å | 0.99Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB2 | sing | 1.10Å | 1.00Å | |
| CB | HB3 | sing | 1.10Å | 1.00Å | |
| CG | OD1 | doub | 1.23Å | 1.23Å | |
| CG | OD2 | sing | 1.37Å | 1.36Å | |
| OD2 | SE | sing | 1.66Å | 1.50Å | |
| SE | CZ | sing | 1.76Å | 1.76Å | |
| CZ | OW | doub | 1.22Å | 1.25Å | |
| CZ | OZ | sing | 1.36Å | 1.25Å | |
| HXT | OXT | sing | 0.98Å | 0.95Å | |
| HZ | OZ | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 124.2° | 122.7° |
| OXT | C | CA | 118.0° | 111.8° |
| C | OXT | HXT | 109.5° | 115.2° |
| O | C | CA | 117.8° | 125.5° |
| C | CA | N | 111.9° | 108.5° |
| C | CA | CB | 111.6° | 110.5° |
| C | CA | HA1 | 105.8° | 108.3° |
| N | CA | CB | 108.0° | 110.5° |
| N | CA | HA1 | 109.5° | 107.4° |
| CA | N | H2 | 108.2° | 117.9° |
| CA | N | H | 109.6° | 117.9° |
| CB | CA | HA1 | 110.0° | 111.6° |
| CA | CB | CG | 114.4° | 111.6° |
| CA | CB | HB2 | 108.2° | 111.7° |
| CA | CB | HB3 | 108.2° | 111.7° |
| H2 | N | H | 110.6° | 122.7° |
| CG | CB | HB2 | 108.2° | 108.5° |
| CG | CB | HB3 | 108.2° | 107.9° |
| CB | CG | OD1 | 121.5° | 123.3° |
| CB | CG | OD2 | 113.4° | 109.4° |
| HB2 | CB | HB3 | 109.5° | 105.0° |
| OD1 | CG | OD2 | 125.0° | 127.3° |
| CG | OD2 | SE | 114.6° | 115.9° |
| OD2 | SE | CZ | 106.9° | 95.9° |
| SE | CZ | OW | 117.8° | 120.7° |
| SE | CZ | OZ | 117.9° | 117.0° |
| OW | CZ | OZ | 124.4° | 122.3° |
| CZ | OZ | HZ | 109.5° | 111.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 179.9° | 179.6° |
| OXT | C | CA | N | 6.4° | 146.6° |
| OXT | C | CA | CB | 127.6° | 92.2° |
| OXT | C | CA | HA1 | 112.8° | 30.3° |
| O | C | CA | N | 173.4° | 33.8° |
| O | C | CA | CB | 52.3° | 87.5° |
| O | C | CA | HA1 | 67.3° | 150.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 123.2° | 121.3° |
| C | CA | N | HA1 | 117.1° | 116.8° |
| C | CA | CB | HA1 | 117.1° | 120.6° |
| C | CA | N | H2 | 178.8° | 64.7° |
| C | CA | N | H | 60.5° | 128.8° |
| C | CA | CB | CG | 84.3° | 60.5° |
| C | CA | CB | HB2 | 155.0° | 177.8° |
| C | CA | CB | HB3 | 36.4° | 60.4° |
| CA | C | OXT | HXT | 179.9° | 179.7° |
| N | CA | CB | HA1 | 119.5° | 119.4° |
| CA | N | H2 | H | 120.1° | 165.9° |
| N | CA | CB | CG | 152.3° | 179.4° |
| N | CA | CB | HB2 | 31.6° | 57.7° |
| N | CA | CB | HB3 | 87.0° | 59.7° |
| CB | CA | N | H2 | 55.6° | 56.6° |
| CB | CA | N | H | 176.3° | 109.9° |
| CA | CB | CG | HB2 | 120.7° | 123.5° |
| CA | CB | CG | HB3 | 120.7° | 123.1° |
| CA | CB | HB2 | HB3 | 117.8° | 121.3° |
| CA | CB | CG | OD1 | 19.2° | 116.5° |
| CA | CB | CG | OD2 | 160.6° | 64.3° |
| HA1 | CA | N | H2 | 64.1° | 178.5° |
| HA1 | CA | N | H | 56.6° | 11.9° |
| HA1 | CA | CB | CG | 32.8° | 60.0° |
| HA1 | CA | CB | HB2 | 87.9° | 61.7° |
| HA1 | CA | CB | HB3 | 153.5° | 179.0° |
| CG | CB | HB2 | HB3 | 117.8° | 115.2° |
| CB | CG | OD1 | OD2 | 179.8° | 179.0° |
| CB | CG | OD2 | SE | 179.0° | 180.0° |
| HB2 | CB | CG | OD1 | 139.9° | 120.0° |
| HB2 | CB | CG | OD2 | 39.9° | 59.2° |
| HB3 | CB | CG | OD1 | 101.5° | 6.6° |
| HB3 | CB | CG | OD2 | 78.7° | 172.6° |
| OD1 | CG | OD2 | SE | 0.8° | 0.9° |
| CG | OD2 | SE | CZ | 175.0° | 180.0° |
| OD2 | SE | CZ | OW | 1.9° | 0.0° |
| OD2 | SE | CZ | OZ | 178.1° | 179.0° |
| SE | CZ | OW | OZ | 180.0° | 178.9° |
| SE | CZ | OZ | HZ | 180.0° | 178.9° |
| OW | CZ | OZ | HZ | 0.0° | 0.0° |
