B3T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG | CD2 | sing | 1.53Å | 1.52Å | |
| OD1 | CG | sing | 1.43Å | 1.44Å | |
| CD2 | H1D2 | sing | 1.09Å | 1.10Å | |
| CD2 | H2D2 | sing | 1.09Å | 1.10Å | |
| CD2 | H3D2 | sing | 1.09Å | 1.10Å | |
| CA | CG | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| C | CB | sing | 1.51Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| HG | CG | sing | 1.09Å | 1.10Å | |
| HOD1 | OD1 | sing | 0.97Å | 0.95Å | |
| HA | CA | sing | 1.09Å | 1.10Å | |
| H | N | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CG | OD1 | 109.6° | 109.5° |
| CG | CD2 | H1D2 | 109.5° | 109.5° |
| CG | CD2 | H2D2 | 109.4° | 109.5° |
| CG | CD2 | H3D2 | 109.5° | 109.5° |
| CD2 | CG | CA | 110.5° | 109.5° |
| CD2 | CG | HG | 108.3° | 109.5° |
| OD1 | CG | CA | 108.3° | 109.4° |
| OD1 | CG | HG | 110.6° | 109.5° |
| CG | OD1 | HOD1 | 109.5° | 113.9° |
| H1D2 | CD2 | H2D2 | 109.5° | 109.5° |
| H1D2 | CD2 | H3D2 | 109.4° | 109.5° |
| H2D2 | CD2 | H3D2 | 109.5° | 109.5° |
| CG | CA | N | 112.4° | 109.5° |
| CG | CA | CB | 109.9° | 109.5° |
| CA | CG | HG | 109.6° | 109.5° |
| CG | CA | HA | 107.2° | 109.5° |
| CA | N | H2 | 109.5° | 110.9° |
| N | CA | CB | 109.5° | 109.5° |
| N | CA | HA | 107.6° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| H2 | N | H | 109.5° | 111.0° |
| CA | CB | HB1 | 108.3° | 109.5° |
| CA | CB | HB2 | 107.5° | 109.5° |
| CA | CB | C | 113.0° | 109.5° |
| CB | CA | HA | 110.2° | 109.4° |
| HB1 | CB | HB2 | 112.2° | 109.5° |
| HB1 | CB | C | 108.3° | 109.5° |
| HB2 | CB | C | 107.5° | 109.4° |
| CB | C | OXT | 118.1° | 120.0° |
| CB | C | O | 123.8° | 120.0° |
| OXT | C | O | 118.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CG | OD1 | CA | 120.6° | 120.0° |
| CD2 | CG | OD1 | HG | 119.3° | 120.0° |
| CG | CD2 | H1D2 | H2D2 | 120.0° | 120.0° |
| CG | CD2 | H1D2 | H3D2 | 120.0° | 120.0° |
| CG | CD2 | H2D2 | H3D2 | 120.0° | 120.0° |
| CD2 | CG | CA | HG | 119.3° | 120.0° |
| CD2 | CG | CA | N | 39.2° | 55.0° |
| CD2 | CG | CA | CB | 83.0° | 175.0° |
| CD2 | CG | OD1 | HOD1 | 166.1° | 60.0° |
| CD2 | CG | CA | HA | 157.2° | 65.0° |
| OD1 | CG | CD2 | H1D2 | 27.0° | 60.0° |
| OD1 | CG | CD2 | H2D2 | 147.0° | 180.0° |
| OD1 | CG | CD2 | H3D2 | 93.0° | 60.0° |
| OD1 | CG | CA | HG | 120.7° | 120.0° |
| OD1 | CG | CA | N | 159.2° | 65.0° |
| OD1 | CG | CA | CB | 37.0° | 55.0° |
| OD1 | CG | CA | HA | 82.8° | 175.0° |
| H1D2 | CD2 | H2D2 | H3D2 | 120.0° | 120.0° |
| H1D2 | CD2 | CG | CA | 146.3° | 180.0° |
| H1D2 | CD2 | CG | HG | 93.7° | 60.0° |
| H2D2 | CD2 | CG | CA | 93.7° | 60.1° |
| H2D2 | CD2 | CG | HG | 26.3° | 60.0° |
| H3D2 | CD2 | CG | CA | 26.3° | 60.0° |
| H3D2 | CD2 | CG | HG | 146.4° | NaN° |
| CG | CA | N | CB | 122.4° | 120.1° |
| CG | CA | N | HA | 117.8° | 120.0° |
| CG | CA | N | H2 | 35.7° | 60.0° |
| CG | CA | CB | HA | 117.9° | 120.0° |
| CG | CA | CB | HB1 | 23.5° | 54.9° |
| CG | CA | CB | HB2 | 145.0° | 65.1° |
| CG | CA | CB | C | 96.5° | 175.0° |
| CA | CG | OD1 | HOD1 | 45.5° | 60.0° |
| CG | CA | N | H | 84.4° | 176.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | CB | HA | 118.2° | 119.9° |
| N | CA | CB | HB1 | 100.4° | 175.0° |
| N | CA | CB | HB2 | 21.1° | 55.0° |
| N | CA | CB | C | 139.6° | 64.9° |
| N | CA | CG | HG | 80.1° | 175.0° |
| H2 | N | CA | CB | 86.8° | 60.1° |
| H2 | N | CA | HA | 153.4° | 180.0° |
| CA | CB | HB1 | HB2 | 118.5° | 120.0° |
| CA | CB | HB1 | C | 122.9° | 120.1° |
| CA | CB | HB2 | C | 122.0° | 120.0° |
| CA | CB | C | OXT | 137.9° | 180.0° |
| CA | CB | C | O | 42.2° | 0.1° |
| CB | CA | CG | HG | 157.7° | 65.0° |
| CB | CA | N | H | 153.2° | 63.9° |
| HB1 | CB | HB2 | C | 119.0° | 120.0° |
| HB1 | CB | C | OXT | 17.9° | 59.9° |
| HB1 | CB | C | O | 162.2° | 120.0° |
| HB1 | CB | CA | HA | 141.4° | 65.1° |
| HB2 | CB | C | OXT | 103.7° | 60.0° |
| HB2 | CB | C | O | 76.3° | 120.0° |
| HB2 | CB | CA | HA | 97.1° | 174.9° |
| CB | C | OXT | O | 180.0° | 179.9° |
| C | CB | CA | HA | 21.4° | 55.0° |
| CB | C | OXT | HXT | 180.0° | 179.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| HG | CG | OD1 | HOD1 | 74.5° | 180.0° |
| HG | CG | CA | HA | 37.9° | 55.0° |
| HA | CA | N | H | 33.4° | 56.0° |
