B3Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| CA | CG | sing | 1.53Å | 1.53Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| C | CB | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| HA | CA | sing | 1.09Å | 1.10Å | |
| HB2 | CB | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.51Å | 1.09Å | |
| CD | H8 | sing | 1.09Å | 1.10Å | |
| CD | H9 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CE | NF2 | sing | 1.35Å | 1.09Å | |
| CE | OF1 | doub | 1.21Å | 1.43Å | |
| NF2 | H11 | sing | 0.97Å | 1.00Å | |
| NF2 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H | N | H2 | 109.5° | 111.0° |
| H | N | CA | 109.5° | 111.0° |
| H2 | N | CA | 109.5° | 110.9° |
| N | CA | CG | 107.6° | 109.5° |
| N | CA | CB | 104.8° | 109.5° |
| N | CA | HA | 115.0° | 109.5° |
| CA | CG | HG | 109.4° | 109.5° |
| CA | CG | HGA | 109.4° | 109.4° |
| CA | CG | CD | 109.7° | 109.4° |
| CG | CA | CB | 113.3° | 109.5° |
| CG | CA | HA | 106.8° | 109.5° |
| HG | CG | HGA | 109.6° | 109.5° |
| HG | CG | CD | 109.4° | 109.5° |
| HGA | CG | CD | 109.3° | 109.5° |
| CG | CD | CE | 109.5° | 109.4° |
| CG | CD | H8 | 109.5° | 109.5° |
| CG | CD | H9 | 109.5° | 109.4° |
| CA | CB | HB1 | 107.4° | 109.4° |
| CA | CB | C | 115.8° | 109.5° |
| CB | CA | HA | 109.5° | 109.4° |
| CA | CB | HB2 | 106.0° | 109.4° |
| HB1 | CB | C | 107.4° | 109.5° |
| HB1 | CB | HB2 | 114.5° | 109.5° |
| CB | C | OXT | 119.6° | 120.0° |
| CB | C | O | 120.7° | 120.0° |
| C | CB | HB2 | 106.0° | 109.5° |
| OXT | C | O | 119.7° | 120.1° |
| C | OXT | HXT | 109.5° | 117.0° |
| CE | CD | H8 | 109.5° | 109.4° |
| CE | CD | H9 | 109.5° | 109.5° |
| CD | CE | NF2 | 115.4° | 120.0° |
| CD | CE | OF1 | 115.4° | 120.0° |
| H8 | CD | H9 | 109.5° | 109.5° |
| NF2 | CE | OF1 | 120.0° | 120.0° |
| CE | NF2 | H11 | 118.3° | 120.0° |
| CE | NF2 | H12 | 120.9° | 120.0° |
| H11 | NF2 | H12 | 120.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H | N | H2 | CA | 120.0° | 123.9° |
| H | N | CA | CG | 66.0° | 59.9° |
| H | N | CA | CB | 54.9° | 60.0° |
| H | N | CA | HA | 175.2° | 180.0° |
| H2 | N | CA | CG | 54.0° | 64.0° |
| H2 | N | CA | CB | 174.9° | 176.1° |
| H2 | N | CA | HA | 64.8° | 56.1° |
| N | CA | CG | CB | 115.4° | 120.0° |
| N | CA | CG | HA | 124.0° | 120.0° |
| N | CA | CG | HG | 4.6° | 55.0° |
| N | CA | CG | HGA | 115.5° | 175.0° |
| N | CA | CG | CD | 124.6° | 65.1° |
| N | CA | CB | HA | 123.8° | 120.0° |
| N | CA | CB | HB1 | 154.1° | 175.0° |
| N | CA | CB | C | 85.9° | 65.0° |
| N | CA | CB | HB2 | 31.3° | 55.0° |
| CA | CG | HG | HGA | 119.9° | 120.0° |
| CA | CG | HG | CD | 120.2° | 120.0° |
| CA | CG | HGA | CD | 120.1° | 119.9° |
| CG | CA | CB | HA | 119.1° | 120.0° |
| CG | CA | CB | HB1 | 37.1° | 55.0° |
| CG | CA | CB | C | 157.1° | 175.0° |
| CG | CA | CB | HB2 | 85.8° | 65.0° |
| CA | CG | CD | CE | 134.4° | 180.0° |
| CA | CG | CD | H8 | 105.6° | 60.0° |
| CA | CG | CD | H9 | 14.4° | 60.1° |
| HG | CG | HGA | CD | 119.9° | 120.1° |
| HG | CG | CA | CB | 119.9° | 65.0° |
| HG | CG | CA | HA | 119.4° | 175.0° |
| HG | CG | CD | CE | 14.4° | 60.0° |
| HG | CG | CD | H8 | 134.4° | 180.0° |
| HG | CG | CD | H9 | 105.6° | 59.9° |
| HGA | CG | CA | CB | 0.2° | 55.0° |
| HGA | CG | CA | HA | 120.5° | 65.0° |
| HGA | CG | CD | CE | 105.7° | 60.1° |
| HGA | CG | CD | H8 | 14.3° | 59.9° |
| HGA | CG | CD | H9 | 134.4° | 180.0° |
| CD | CG | CA | CB | 120.1° | 175.0° |
| CD | CG | CA | HA | 0.6° | 55.0° |
| CG | CD | CE | H8 | 120.0° | 120.0° |
| CG | CD | CE | H9 | 120.0° | 120.0° |
| CG | CD | H8 | H9 | 120.0° | 120.0° |
| CG | CD | CE | NF2 | 106.6° | 180.0° |
| CG | CD | CE | OF1 | 106.6° | 0.0° |
| CA | CB | HB1 | C | 125.2° | 120.0° |
| CA | CB | HB1 | HB2 | 117.4° | 120.0° |
| CA | CB | C | HB2 | 117.1° | 120.0° |
| CA | CB | C | OXT | 115.0° | 180.0° |
| CA | CB | C | O | 65.1° | 0.0° |
| HB1 | CB | C | HB2 | 122.9° | 120.0° |
| HB1 | CB | C | OXT | 125.0° | 60.0° |
| HB1 | CB | C | O | 54.9° | 120.0° |
| HB1 | CB | CA | HA | 82.0° | 65.0° |
| CB | C | OXT | O | 180.0° | 179.9° |
| C | CB | CA | HA | 38.0° | 55.0° |
| CB | C | OXT | HXT | 180.0° | 180.0° |
| OXT | C | CB | HB2 | 2.2° | 60.1° |
| O | C | CB | HB2 | 177.8° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| HA | CA | CB | HB2 | 155.1° | 175.0° |
| CE | CD | H8 | H9 | 120.0° | 120.0° |
| CD | CE | NF2 | OF1 | 145.3° | 180.0° |
| CD | CE | NF2 | H11 | 180.0° | 0.1° |
| CD | CE | NF2 | H12 | 0.0° | 180.0° |
| H8 | CD | CE | NF2 | 13.4° | 60.0° |
| H8 | CD | CE | OF1 | 133.5° | 120.0° |
| H9 | CD | CE | NF2 | 133.5° | 60.0° |
| H9 | CD | CE | OF1 | 13.4° | 119.9° |
| CE | NF2 | H11 | H12 | 180.0° | 179.9° |
| OF1 | CE | NF2 | H11 | 34.8° | 179.9° |
| OF1 | CE | NF2 | H12 | 145.3° | 0.0° |
