OUO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | sing | 1.43Å | 1.43Å | |
| C02 | CA | sing | 1.53Å | 1.52Å | |
| OE2 | CD | doub | 1.21Å | 1.25Å | |
| OE1 | CD | sing | 1.34Å | 1.25Å | |
| CD | CG | sing | 1.51Å | 1.52Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | OXT | doub | 1.21Å | 1.24Å | |
| C | O | sing | 1.34Å | 1.24Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CG | H5 | sing | 1.09Å | 1.10Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| OE1 | H7 | sing | 0.97Å | 0.95Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| O01 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | CA | 111.5° | 109.5° |
| O01 | C02 | H8 | 108.9° | 109.5° |
| O01 | C02 | H9 | 109.0° | 109.5° |
| C02 | O01 | H10 | 109.5° | 114.0° |
| C02 | CA | CB | 111.8° | 109.5° |
| C02 | CA | C | 111.0° | 109.5° |
| C02 | CA | H1 | 107.5° | 109.5° |
| CA | C02 | H8 | 109.0° | 109.5° |
| CA | C02 | H9 | 109.0° | 109.5° |
| OE2 | CD | OE1 | 123.3° | 120.0° |
| OE2 | CD | CG | 118.8° | 120.0° |
| OE1 | CD | CG | 118.0° | 120.0° |
| CD | OE1 | H7 | 109.5° | 117.1° |
| CD | CG | CB | 115.0° | 109.4° |
| CD | CG | H5 | 108.1° | 109.5° |
| CD | CG | H6 | 108.1° | 109.5° |
| CG | CB | CA | 114.4° | 109.5° |
| CG | CB | H3 | 108.2° | 109.5° |
| CG | CB | H4 | 108.2° | 109.5° |
| CB | CG | H5 | 108.1° | 109.5° |
| CB | CG | H6 | 108.1° | 109.4° |
| CB | CA | C | 111.6° | 109.5° |
| CB | CA | H1 | 107.3° | 109.4° |
| CA | CB | H3 | 108.2° | 109.5° |
| CA | CB | H4 | 108.2° | 109.4° |
| CA | C | OXT | 117.9° | 120.0° |
| CA | C | O | 118.5° | 120.0° |
| C | CA | H1 | 107.3° | 109.5° |
| OXT | C | O | 123.6° | 120.0° |
| C | O | H2 | 109.5° | 117.0° |
| H3 | CB | H4 | 109.5° | 109.5° |
| H5 | CG | H6 | 109.4° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | CA | H8 | 120.3° | 120.0° |
| O01 | C02 | CA | H9 | 120.3° | 120.0° |
| O01 | C02 | CA | CB | 60.3° | 175.0° |
| O01 | C02 | CA | C | 65.1° | 65.0° |
| O01 | C02 | CA | H1 | 177.9° | 55.1° |
| O01 | C02 | H8 | H9 | 119.1° | 120.0° |
| C02 | CA | CB | CG | 153.4° | 175.0° |
| C02 | CA | CB | C | 125.0° | 120.0° |
| C02 | CA | CB | H1 | 117.7° | 120.0° |
| C02 | CA | C | H1 | 117.2° | 120.0° |
| C02 | CA | C | OXT | 40.6° | 120.0° |
| C02 | CA | C | O | 140.8° | 60.0° |
| C02 | CA | CB | H3 | 85.9° | 54.9° |
| C02 | CA | CB | H4 | 32.6° | 65.0° |
| CA | C02 | H8 | H9 | 119.1° | 120.0° |
| CA | C02 | O01 | H10 | 180.0° | 180.0° |
| OE2 | CD | OE1 | CG | 178.8° | 180.0° |
| OE2 | CD | CG | CB | 3.4° | 0.0° |
| OE2 | CD | CG | H5 | 124.2° | 120.0° |
| OE2 | CD | CG | H6 | 117.5° | 120.0° |
| OE2 | CD | OE1 | H7 | 0.0° | 0.0° |
| OE1 | CD | CG | CB | 177.7° | 180.0° |
| OE1 | CD | CG | H5 | 56.9° | 60.0° |
| OE1 | CD | CG | H6 | 61.4° | 60.0° |
| CD | CG | CB | H5 | 120.8° | 120.0° |
| CD | CG | CB | H6 | 120.8° | 120.0° |
| CD | CG | CB | CA | 176.4° | 180.0° |
| CD | CG | CB | H3 | 55.7° | 60.0° |
| CD | CG | CB | H4 | 62.9° | 60.1° |
| CD | CG | H5 | H6 | 117.5° | 120.1° |
| CG | CD | OE1 | H7 | 178.8° | 180.0° |
| CG | CB | CA | H3 | 120.8° | 120.1° |
| CG | CB | CA | H4 | 120.7° | 120.0° |
| CG | CB | CA | C | 81.7° | 65.0° |
| CG | CB | CA | H1 | 35.7° | 55.1° |
| CG | CB | H3 | H4 | 117.7° | 120.0° |
| CB | CG | H5 | H6 | 117.5° | 120.0° |
| CB | CA | C | H1 | 117.4° | 120.0° |
| CB | CA | C | OXT | 166.0° | 0.0° |
| CB | CA | C | O | 15.3° | 180.0° |
| CA | CB | H3 | H4 | 117.7° | 119.9° |
| CA | CB | CG | H5 | 62.8° | 60.0° |
| CA | CB | CG | H6 | 55.6° | 60.0° |
| CB | CA | C02 | H8 | 179.4° | 65.0° |
| CB | CA | C02 | H9 | 60.0° | 55.0° |
| CA | C | OXT | O | 178.6° | 180.0° |
| CA | C | O | H2 | 178.6° | 180.0° |
| C | CA | CB | H3 | 39.1° | 175.0° |
| C | CA | CB | H4 | 157.6° | 55.0° |
| C | CA | C02 | H8 | 55.2° | 55.0° |
| C | CA | C02 | H9 | 174.6° | 175.0° |
| OXT | C | CA | H1 | 76.6° | 120.0° |
| OXT | C | O | H2 | 0.0° | 0.0° |
| O | C | CA | H1 | 102.0° | 60.0° |
| H1 | CA | CB | H3 | 156.5° | 65.0° |
| H1 | CA | CB | H4 | 85.0° | 175.0° |
| H1 | CA | C02 | H8 | 61.9° | 175.1° |
| H1 | CA | C02 | H9 | 57.5° | 64.9° |
| H3 | CB | CG | H5 | 176.5° | 180.0° |
| H3 | CB | CG | H6 | 65.2° | 60.0° |
| H4 | CB | CG | H5 | 58.0° | 59.9° |
| H4 | CB | CG | H6 | 176.3° | 180.0° |
| H8 | C02 | O01 | H10 | 59.7° | 59.9° |
| H9 | C02 | O01 | H10 | 59.7° | 60.0° |
