OUE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OE2 | CD | doub | 1.21Å | 1.21Å | |
| OE1 | CD | sing | 1.34Å | 1.21Å | |
| CD | CG | sing | 1.51Å | 1.51Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | CM | sing | 1.53Å | 1.55Å | |
| CM | N2 | sing | 1.46Å | 1.48Å | |
| N2 | C | sing | 1.35Å | 1.41Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| OE1 | H4 | sing | 0.97Å | 0.95Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.35Å | 1.41Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE2 | CD | OE1 | 124.4° | 120.0° |
| OE2 | CD | CG | 117.0° | 120.0° |
| OE1 | CD | CG | 118.1° | 120.0° |
| CD | OE1 | H4 | 109.5° | 117.0° |
| CD | CG | CB | 109.1° | 109.5° |
| CD | CG | HG3 | 109.6° | 109.5° |
| CD | CG | HG2 | 109.6° | 109.5° |
| CG | CB | CA | 115.4° | 109.5° |
| CG | CB | HB3 | 108.0° | 109.5° |
| CG | CB | HB2 | 108.0° | 109.4° |
| CB | CG | HG3 | 109.6° | 109.5° |
| CB | CG | HG2 | 109.6° | 109.4° |
| CB | CA | N | 107.6° | 109.5° |
| CB | CA | CM | 113.5° | 109.5° |
| CB | CA | HA | 108.1° | 109.5° |
| CA | CB | HB3 | 108.0° | 109.5° |
| CA | CB | HB2 | 108.0° | 109.4° |
| N | CA | CM | 110.3° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 109.1° | 109.5° |
| CA | CM | N2 | 112.5° | 109.5° |
| CM | CA | HA | 108.1° | 109.5° |
| CA | CM | HM2 | 108.7° | 109.5° |
| CA | CM | HM3 | 108.7° | 109.5° |
| CM | N2 | C | 123.2° | 120.0° |
| N2 | CM | HM2 | 108.7° | 109.4° |
| N2 | CM | HM3 | 108.7° | 109.4° |
| CM | N2 | HN2 | 118.4° | 120.0° |
| N2 | C | O | 118.4° | 120.0° |
| C | N2 | HN2 | 118.4° | 120.0° |
| N2 | C | OXT | 114.4° | 120.0° |
| O | C | OXT | 119.0° | 120.0° |
| H2 | N | H | 109.5° | 111.0° |
| HB3 | CB | HB2 | 109.5° | 109.5° |
| HG3 | CG | HG2 | 109.5° | 109.5° |
| HM2 | CM | HM3 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE2 | CD | OE1 | CG | 172.1° | 180.0° |
| OE2 | CD | CG | CB | 73.7° | 0.0° |
| OE2 | CD | CG | HG3 | 166.4° | 120.0° |
| OE2 | CD | CG | HG2 | 46.3° | 120.0° |
| OE2 | CD | OE1 | H4 | 0.0° | 0.0° |
| OE1 | CD | CG | CB | 99.0° | 180.0° |
| OE1 | CD | CG | HG3 | 20.9° | 60.0° |
| OE1 | CD | CG | HG2 | 141.1° | 60.0° |
| CD | CG | CB | HG3 | 120.0° | 120.1° |
| CD | CG | CB | HG2 | 119.9° | 120.0° |
| CD | CG | CB | CA | 177.5° | 180.0° |
| CD | CG | CB | HB3 | 56.6° | 59.9° |
| CD | CG | CB | HB2 | 61.7° | 60.0° |
| CD | CG | HG3 | HG2 | 120.2° | 120.0° |
| CG | CD | OE1 | H4 | 172.1° | 180.0° |
| CG | CB | CA | HB3 | 120.9° | 120.1° |
| CG | CB | CA | HB2 | 120.8° | 120.0° |
| CG | CB | CA | N | 178.0° | 65.1° |
| CG | CB | CA | CM | 59.7° | 175.0° |
| CG | CB | CA | HA | 60.3° | 55.0° |
| CG | CB | HB3 | HB2 | 117.3° | 120.0° |
| CB | CG | HG3 | HG2 | 120.2° | 120.0° |
| CB | CA | N | CM | 124.2° | 120.0° |
| CB | CA | N | HA | 117.1° | 120.0° |
| CB | CA | CM | HA | 120.0° | 120.0° |
| CB | CA | CM | N2 | 173.2° | 175.0° |
| CB | CA | N | H2 | 180.0° | 60.0° |
| CB | CA | N | H | 60.0° | 64.0° |
| CA | CB | HB3 | HB2 | 117.3° | 120.0° |
| CA | CB | CG | HG3 | 62.6° | 59.9° |
| CA | CB | CG | HG2 | 57.5° | 60.0° |
| CB | CA | CM | HM2 | 66.4° | 65.0° |
| CB | CA | CM | HM3 | 52.7° | 55.0° |
| N | CA | CM | HA | 119.2° | 120.1° |
| N | CA | CM | N2 | 52.4° | 55.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | CB | HB3 | 61.1° | 55.0° |
| N | CA | CB | HB2 | 57.2° | 175.0° |
| N | CA | CM | HM2 | 172.9° | 175.0° |
| N | CA | CM | HM3 | 68.0° | 65.0° |
| CA | CM | N2 | HM2 | 120.5° | 120.0° |
| CA | CM | N2 | HM3 | 120.5° | 120.0° |
| CA | CM | N2 | C | 99.7° | 180.0° |
| CM | CA | N | H2 | 55.8° | 60.0° |
| CM | CA | N | H | 64.2° | 176.0° |
| CM | CA | CB | HB3 | 61.2° | 65.0° |
| CM | CA | CB | HB2 | 179.4° | 55.0° |
| CA | CM | HM2 | HM3 | 118.6° | 120.1° |
| CA | CM | N2 | HN2 | 80.3° | 0.0° |
| CM | N2 | C | HN2 | 180.0° | 180.0° |
| CM | N2 | C | O | 16.9° | 0.0° |
| N2 | CM | CA | HA | 66.8° | 65.0° |
| N2 | CM | HM2 | HM3 | 118.6° | 119.9° |
| CM | N2 | C | OXT | 165.3° | 180.0° |
| N2 | C | O | OXT | 147.0° | 180.0° |
| C | N2 | CM | HM2 | 20.8° | 60.0° |
| C | N2 | CM | HM3 | 139.9° | 60.0° |
| N2 | C | OXT | HXT | 148.2° | 179.9° |
| O | C | N2 | HN2 | 163.1° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| H2 | N | CA | HA | 62.9° | 180.0° |
| H | N | CA | HA | 177.1° | 56.0° |
| HA | CA | CB | HB3 | 178.8° | 175.1° |
| HA | CA | CB | HB2 | 60.6° | 65.0° |
| HA | CA | CM | HM2 | 53.6° | 55.0° |
| HA | CA | CM | HM3 | 172.7° | 175.0° |
| HB3 | CB | CG | HG3 | 176.5° | 180.0° |
| HB3 | CB | CG | HG2 | 63.3° | 60.0° |
| HB2 | CB | CG | HG3 | 58.2° | 60.0° |
| HB2 | CB | CG | HG2 | 178.4° | 180.0° |
| HM2 | CM | N2 | HN2 | 159.2° | 120.0° |
| HM3 | CM | N2 | HN2 | 40.2° | 120.0° |
| HN2 | N2 | C | OXT | 14.7° | 0.0° |
