1HB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OE1 | CD | doub | 1.21Å | 1.23Å | |
| CH2 | NE2 | sing | 1.46Å | 1.48Å | |
| CD | NE2 | sing | 1.35Å | 1.34Å | |
| CD | CG | sing | 1.51Å | 1.52Å | |
| NE2 | CH1 | sing | 1.47Å | 1.48Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| C | CA | sing | 1.53Å | 1.55Å | |
| C | O | sing | 1.43Å | 1.25Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CG | H1 | sing | 1.09Å | 1.10Å | |
| CG | H3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CH1 | H6 | sing | 1.09Å | 1.10Å | |
| CH1 | H7 | sing | 1.09Å | 1.10Å | |
| CH1 | H8 | sing | 1.09Å | 1.10Å | |
| CH2 | H9 | sing | 1.09Å | 1.10Å | |
| CH2 | H10 | sing | 1.09Å | 1.10Å | |
| CH2 | H11 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| O | H15 | sing | 0.97Å | 0.95Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE1 | CD | NE2 | 124.0° | 120.0° |
| OE1 | CD | CG | 121.2° | 120.0° |
| CH2 | NE2 | CD | 119.7° | 120.0° |
| CH2 | NE2 | CH1 | 121.2° | 120.0° |
| NE2 | CH2 | H9 | 109.5° | 109.4° |
| NE2 | CH2 | H10 | 109.5° | 109.5° |
| NE2 | CH2 | H11 | 109.4° | 109.5° |
| NE2 | CD | CG | 114.6° | 120.0° |
| CD | NE2 | CH1 | 118.9° | 120.0° |
| CD | CG | CB | 110.7° | 109.5° |
| CD | CG | H1 | 109.1° | 109.5° |
| CD | CG | H3 | 109.2° | 109.5° |
| NE2 | CH1 | H6 | 109.5° | 109.5° |
| NE2 | CH1 | H7 | 109.5° | 109.5° |
| NE2 | CH1 | H8 | 109.5° | 109.5° |
| CG | CB | CA | 107.8° | 109.5° |
| CB | CG | H1 | 109.2° | 109.4° |
| CB | CG | H3 | 109.1° | 109.5° |
| CG | CB | H13 | 109.9° | 109.4° |
| CG | CB | H14 | 109.9° | 109.5° |
| CB | CA | C | 112.7° | 109.5° |
| CB | CA | N | 115.4° | 109.4° |
| CB | CA | HA | 103.2° | 109.5° |
| CA | CB | H13 | 109.9° | 109.5° |
| CA | CB | H14 | 109.9° | 109.5° |
| CA | C | O | 121.6° | 109.5° |
| C | CA | N | 116.4° | 109.5° |
| C | CA | HA | 103.1° | 109.5° |
| CA | C | H16 | 106.3° | 109.5° |
| CA | C | H17 | 106.3° | 109.4° |
| C | O | H15 | 109.5° | 114.0° |
| O | C | H16 | 106.3° | 109.5° |
| O | C | H17 | 106.4° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 103.6° | 109.5° |
| H1 | CG | H3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H6 | CH1 | H7 | 109.5° | 109.5° |
| H6 | CH1 | H8 | 109.5° | 109.5° |
| H7 | CH1 | H8 | 109.4° | 109.4° |
| H9 | CH2 | H10 | 109.5° | 109.4° |
| H9 | CH2 | H11 | 109.5° | 109.5° |
| H10 | CH2 | H11 | 109.5° | 109.5° |
| H13 | CB | H14 | 109.4° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE1 | CD | NE2 | CH2 | 4.7° | 180.0° |
| OE1 | CD | NE2 | CG | 175.3° | 180.0° |
| OE1 | CD | NE2 | CH1 | 179.6° | 0.1° |
| OE1 | CD | CG | CB | 20.2° | 0.0° |
| OE1 | CD | CG | H1 | 100.0° | 119.9° |
| OE1 | CD | CG | H3 | 140.4° | 120.0° |
| CH2 | NE2 | CD | CH1 | 174.9° | 180.0° |
| CH2 | NE2 | CD | CG | 180.0° | 0.0° |
| CH2 | NE2 | CH1 | H6 | 180.0° | 90.0° |
| CH2 | NE2 | CH1 | H7 | 60.0° | 30.0° |
| CH2 | NE2 | CH1 | H8 | 60.0° | 150.0° |
| NE2 | CH2 | H9 | H10 | 120.0° | 120.0° |
| NE2 | CH2 | H9 | H11 | 120.0° | 120.0° |
| NE2 | CH2 | H10 | H11 | 120.0° | 120.1° |
| NE2 | CD | CG | CB | 155.2° | 180.0° |
| NE2 | CD | CG | H1 | 84.6° | 60.0° |
| NE2 | CD | CG | H3 | 35.1° | 60.0° |
| CD | NE2 | CH1 | H6 | 5.1° | 90.0° |
| CD | NE2 | CH1 | H7 | 114.9° | 150.0° |
| CD | NE2 | CH1 | H8 | 125.2° | 30.1° |
| CD | NE2 | CH2 | H9 | 180.0° | 90.0° |
| CD | NE2 | CH2 | H10 | 60.0° | 150.0° |
| CD | NE2 | CH2 | H11 | 60.0° | 29.9° |
| CG | CD | NE2 | CH1 | 5.1° | 180.0° |
| CD | CG | CB | H1 | 120.2° | 120.0° |
| CD | CG | CB | H3 | 120.2° | 120.0° |
| CD | CG | CB | CA | 173.4° | 180.0° |
| CD | CG | H1 | H3 | 119.4° | 120.1° |
| CD | CG | CB | H13 | 53.6° | 60.0° |
| CD | CG | CB | H14 | 66.8° | 60.0° |
| NE2 | CH1 | H6 | H7 | 120.0° | 120.0° |
| NE2 | CH1 | H6 | H8 | 120.0° | 120.0° |
| NE2 | CH1 | H7 | H8 | 120.0° | 120.0° |
| CH1 | NE2 | CH2 | H9 | 5.2° | 90.0° |
| CH1 | NE2 | CH2 | H10 | 114.8° | 29.9° |
| CH1 | NE2 | CH2 | H11 | 125.2° | 150.0° |
| CG | CB | CA | H13 | 119.7° | 119.9° |
| CG | CB | CA | H14 | 119.8° | 120.0° |
| CG | CB | CA | C | 158.1° | 175.0° |
| CG | CB | CA | N | 64.8° | 65.0° |
| CB | CG | H1 | H3 | 119.4° | 120.0° |
| CG | CB | CA | HA | 47.5° | 54.9° |
| CG | CB | H13 | H14 | 120.8° | 120.0° |
| CB | CA | C | N | 136.7° | 120.0° |
| CB | CA | C | HA | 110.6° | 120.0° |
| CB | CA | C | O | 175.4° | 175.0° |
| CB | CA | N | HA | 112.1° | 120.0° |
| CA | CB | CG | H1 | 66.4° | 60.0° |
| CA | CB | CG | H3 | 53.2° | 60.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CA | CB | H13 | H14 | 120.8° | 120.1° |
| CB | CA | C | H16 | 62.9° | 55.0° |
| CB | CA | C | H17 | 53.7° | 65.0° |
| CA | C | O | H16 | 121.7° | 120.1° |
| CA | C | O | H17 | 121.7° | 120.0° |
| C | CA | N | HA | 112.5° | 120.0° |
| C | CA | N | H | 44.5° | 60.0° |
| C | CA | N | H2 | 75.5° | 176.0° |
| C | CA | CB | H13 | 38.3° | 55.1° |
| C | CA | CB | H14 | 82.2° | 65.0° |
| CA | C | O | H15 | 180.0° | 180.0° |
| CA | C | H16 | H17 | 114.5° | 120.0° |
| O | C | CA | N | 38.7° | 65.0° |
| O | C | CA | HA | 74.0° | 55.0° |
| O | C | H16 | H17 | 114.6° | 120.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H13 | 175.5° | 175.1° |
| N | CA | CB | H14 | 55.0° | 55.0° |
| N | CA | C | H16 | 160.4° | 175.0° |
| N | CA | C | H17 | 82.9° | 55.0° |
| H1 | CG | CB | H13 | 173.8° | 180.0° |
| H1 | CG | CB | H14 | 53.4° | 60.0° |
| H3 | CG | CB | H13 | 66.6° | 60.0° |
| H3 | CG | CB | H14 | 173.0° | 180.0° |
| H | N | CA | HA | 67.9° | 180.0° |
| H2 | N | CA | HA | 172.1° | 56.0° |
| H6 | CH1 | H7 | H8 | 120.0° | 120.0° |
| H9 | CH2 | H10 | H11 | 120.0° | 120.0° |
| HA | CA | CB | H13 | 72.2° | 65.0° |
| HA | CA | CB | H14 | 167.3° | 175.0° |
| HA | CA | C | H16 | 47.7° | 65.0° |
| HA | CA | C | H17 | 164.3° | 175.0° |
| H15 | O | C | H16 | 58.3° | 59.9° |
| H15 | O | C | H17 | 58.3° | 60.0° |
