Z3E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | OG1 | sing | 1.43Å | 1.43Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| CA | CB | sing | 1.53Å | 1.62Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | OG1 | sing | 1.43Å | 1.45Å | |
| CB | CG2 | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2A | sing | 1.09Å | 1.10Å | |
| CG2 | HG2B | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 122.1° | 120.0° |
| O | C | OXT | 118.9° | 120.0° |
| CA | C | OXT | 118.9° | 120.0° |
| C | CA | N | 108.8° | 109.4° |
| C | CA | CB | 112.2° | 109.5° |
| C | CA | HA | 109.3° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | H2 | 109.5° | 110.9° |
| CA | N | H | 109.4° | 111.0° |
| N | CA | CB | 112.8° | 109.5° |
| N | CA | HA | 108.7° | 109.4° |
| H2 | N | H | 109.5° | 111.0° |
| C2 | C1 | C6 | 118.5° | 120.1° |
| C2 | C1 | C7 | 120.8° | 119.9° |
| C1 | C2 | C3 | 120.2° | 119.9° |
| C1 | C2 | H8 | 119.9° | 120.0° |
| C6 | C1 | C7 | 120.7° | 120.0° |
| C1 | C6 | C5 | 121.2° | 120.0° |
| C1 | C6 | H6 | 119.4° | 120.0° |
| C1 | C7 | OG1 | 110.0° | 109.5° |
| C1 | C7 | H7 | 109.3° | 109.5° |
| C1 | C7 | H7A | 109.3° | 109.4° |
| C3 | C2 | H8 | 119.9° | 120.1° |
| C2 | C3 | C4 | 121.6° | 120.0° |
| C2 | C3 | H3 | 119.2° | 119.9° |
| C4 | C3 | H3 | 119.2° | 120.0° |
| C3 | C4 | C5 | 118.8° | 120.0° |
| C3 | C4 | H4 | 120.6° | 120.0° |
| C5 | C4 | H4 | 120.6° | 120.0° |
| C4 | C5 | C6 | 119.8° | 120.0° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C6 | C5 | H5 | 120.1° | 119.9° |
| C5 | C6 | H6 | 119.4° | 120.1° |
| OG1 | C7 | H7 | 109.3° | 109.5° |
| OG1 | C7 | H7A | 109.3° | 109.5° |
| C7 | OG1 | CB | 112.7° | 114.0° |
| H7 | C7 | H7A | 109.6° | 109.5° |
| CB | CA | HA | 105.0° | 109.5° |
| CA | CB | OG1 | 112.7° | 109.5° |
| CA | CB | CG2 | 111.4° | 109.5° |
| CA | CB | HB | 106.1° | 109.5° |
| OG1 | CB | CG2 | 110.2° | 109.5° |
| OG1 | CB | HB | 107.3° | 109.5° |
| CG2 | CB | HB | 108.9° | 109.4° |
| CB | CG2 | HG2 | 109.5° | 109.4° |
| CB | CG2 | HG2A | 109.5° | 109.5° |
| CB | CG2 | HG2B | 109.5° | 109.4° |
| HG2 | CG2 | HG2A | 109.5° | 109.5° |
| HG2 | CG2 | HG2B | 109.5° | 109.4° |
| HG2A | CG2 | HG2B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.7° |
| O | C | CA | N | 80.3° | 20.1° |
| O | C | CA | CB | 45.2° | 100.0° |
| O | C | CA | HA | 161.2° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 125.1° | 120.0° |
| C | CA | N | HA | 118.9° | 119.9° |
| C | CA | N | H2 | 180.0° | 60.1° |
| C | CA | N | H | 60.0° | 176.0° |
| C | CA | CB | HA | 118.6° | 120.0° |
| C | CA | CB | OG1 | 172.7° | 55.0° |
| C | CA | CB | CG2 | 62.8° | 175.0° |
| C | CA | CB | HB | 55.5° | 65.0° |
| CA | C | OXT | HXT | 180.0° | 179.7° |
| OXT | C | CA | N | 99.7° | 160.2° |
| OXT | C | CA | CB | 134.9° | 79.7° |
| OXT | C | CA | HA | 18.8° | 40.3° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | CB | HA | 118.2° | 120.0° |
| N | CA | CB | OG1 | 49.5° | 65.0° |
| N | CA | CB | CG2 | 174.0° | 55.0° |
| N | CA | CB | HB | 67.7° | 175.0° |
| H2 | N | CA | CB | 54.9° | 59.9° |
| H2 | N | CA | HA | 61.1° | 180.0° |
| H | N | CA | CB | 174.9° | 63.9° |
| H | N | CA | HA | 58.9° | 56.1° |
| C2 | C1 | C6 | C7 | 179.9° | 179.7° |
| C1 | C2 | C3 | H8 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.1° |
| C2 | C1 | C6 | H6 | 179.6° | 180.0° |
| C2 | C1 | C7 | OG1 | 100.7° | 90.0° |
| C2 | C1 | C7 | H7 | 139.3° | 150.0° |
| C2 | C1 | C7 | H7A | 19.4° | 30.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C6 | C1 | C2 | H8 | 179.9° | 179.9° |
| C1 | C6 | C5 | C4 | 0.6° | 0.2° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.4° | 179.9° |
| C6 | C1 | C7 | OG1 | 79.2° | 90.3° |
| C6 | C1 | C7 | H7 | 40.8° | 29.7° |
| C6 | C1 | C7 | H7A | 160.8° | 149.8° |
| C7 | C1 | C2 | C3 | 179.9° | 179.7° |
| C7 | C1 | C2 | H8 | 0.1° | 0.3° |
| C7 | C1 | C6 | C5 | 179.7° | 179.7° |
| C7 | C1 | C6 | H6 | 0.3° | 0.3° |
| C1 | C7 | OG1 | H7 | 120.0° | 120.0° |
| C1 | C7 | OG1 | H7A | 120.0° | 120.0° |
| C1 | C7 | H7 | H7A | 119.7° | 120.0° |
| C1 | C7 | OG1 | CB | 179.5° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| H8 | C2 | C3 | C4 | 179.8° | 179.9° |
| H8 | C2 | C3 | H3 | 0.2° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.2° |
| C3 | C4 | C5 | H5 | 179.7° | 179.9° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | H6 | 179.4° | 179.9° |
| H4 | C4 | C5 | C6 | 179.7° | 179.9° |
| H4 | C4 | C5 | H5 | 0.3° | 0.1° |
| H5 | C5 | C6 | H6 | 0.6° | 0.2° |
| OG1 | C7 | H7 | H7A | 119.8° | 120.0° |
| C7 | OG1 | CB | CA | 99.8° | 150.0° |
| C7 | OG1 | CB | CG2 | 135.1° | 90.0° |
| C7 | OG1 | CB | HB | 16.7° | 30.0° |
| H7 | C7 | OG1 | CB | 59.5° | 60.0° |
| H7A | C7 | OG1 | CB | 60.5° | 60.0° |
| CA | CB | OG1 | CG2 | 125.1° | 120.0° |
| CA | CB | OG1 | HB | 116.5° | 120.0° |
| CA | CB | CG2 | HB | 116.6° | 120.0° |
| CA | CB | CG2 | HG2 | 180.0° | 60.0° |
| CA | CB | CG2 | HG2A | 60.0° | 180.0° |
| CA | CB | CG2 | HG2B | 60.0° | 59.9° |
| HA | CA | CB | OG1 | 68.7° | 175.0° |
| HA | CA | CB | CG2 | 55.8° | 65.0° |
| HA | CA | CB | HB | 174.1° | 55.0° |
| OG1 | CB | CG2 | HB | 117.5° | 119.9° |
| OG1 | CB | CG2 | HG2 | 54.1° | 60.1° |
| OG1 | CB | CG2 | HG2A | 174.1° | 60.0° |
| OG1 | CB | CG2 | HG2B | 65.9° | 180.0° |
| CB | CG2 | HG2 | HG2A | 120.0° | 120.0° |
| CB | CG2 | HG2 | HG2B | 120.0° | 119.9° |
| CB | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| HB | CB | CG2 | HG2 | 63.3° | NaN° |
| HB | CB | CG2 | HG2A | 56.7° | 60.0° |
| HB | CB | CG2 | HG2B | 176.6° | 60.1° |
| HG2 | CG2 | HG2A | HG2B | 120.0° | 120.0° |
