4LZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.31Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N7 | N6 | doub | 1.12Å | 1.23Å | |
| N6 | C32 | sing | 1.47Å | 1.48Å | |
| N8 | N7 | doub | 1.12Å | 1.14Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD2 | CG | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | OH | sing | 1.43Å | 1.44Å | |
| OH | CZ | sing | 1.36Å | 1.38Å | |
| CE2 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CZ | CE1 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| CE1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE2 | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | CA | 112.3° | 120.0° |
| OXT | C | O | 124.4° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | C | O | 123.0° | 120.0° |
| C | CA | N | 107.0° | 109.5° |
| C | CA | CB | 112.6° | 109.5° |
| C | CA | HA | 108.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 110.2° | 109.5° |
| N | CA | HA | 109.7° | 109.4° |
| H | N | H2 | 109.4° | 111.0° |
| N7 | N6 | C32 | 116.1° | 120.0° |
| N6 | N7 | N8 | 179.8° | NaN° |
| N6 | C32 | C31 | 109.7° | 109.5° |
| N6 | C32 | H33 | 109.4° | 109.5° |
| N6 | C32 | H34 | 109.4° | 109.4° |
| N7 | N8 | HN8 | 112.0° | 120.0° |
| CB | CA | HA | 108.5° | 109.4° |
| CA | CB | CG | 112.8° | 109.5° |
| CA | CB | HB | 108.6° | 109.4° |
| CA | CB | HBA | 108.6° | 109.5° |
| CG | CB | HB | 108.6° | 109.4° |
| CG | CB | HBA | 108.7° | 109.5° |
| CB | CG | CD2 | 120.8° | 119.9° |
| CB | CG | CD1 | 120.9° | 120.0° |
| HB | CB | HBA | 109.5° | 109.4° |
| CD2 | CG | CD1 | 118.2° | 120.1° |
| CG | CD2 | CE2 | 121.3° | 120.0° |
| CG | CD2 | HD2 | 119.4° | 120.0° |
| CG | CD1 | CE1 | 121.3° | 120.1° |
| CG | CD1 | HD1 | 119.3° | 119.9° |
| C31 | OH | CZ | 118.5° | 117.0° |
| OH | C31 | C32 | 107.7° | 109.5° |
| OH | C31 | H31 | 109.9° | 109.5° |
| OH | C31 | H32 | 109.9° | 109.5° |
| OH | CZ | CE2 | 126.1° | 120.1° |
| OH | CZ | CE1 | 114.2° | 120.1° |
| CE2 | CZ | CE1 | 119.7° | 119.9° |
| CZ | CE2 | CD2 | 119.8° | 119.9° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CZ | CE1 | CD1 | 119.8° | 119.9° |
| CZ | CE1 | HE1 | 120.1° | 120.0° |
| C32 | C31 | H31 | 109.9° | 109.4° |
| C32 | C31 | H32 | 109.9° | 109.4° |
| C31 | C32 | H33 | 109.4° | 109.5° |
| C31 | C32 | H34 | 109.4° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| CE1 | CD1 | HD1 | 119.4° | 119.9° |
| CD1 | CE1 | HE1 | 120.1° | 120.0° |
| CE2 | CD2 | HD2 | 119.4° | 119.9° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | O | 172.9° | 179.7° |
| OXT | C | CA | N | 51.0° | 160.3° |
| OXT | C | CA | CB | 70.2° | 79.7° |
| OXT | C | CA | HA | 169.4° | 40.3° |
| C | CA | N | CB | 122.7° | 120.1° |
| C | CA | N | HA | 117.8° | 120.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| CA | C | OXT | HXT | 172.8° | 180.0° |
| C | CA | CB | HA | 120.5° | 120.0° |
| C | CA | CB | CG | 171.1° | 175.0° |
| C | CA | CB | HB | 50.6° | 65.0° |
| C | CA | CB | HBA | 68.4° | 54.9° |
| O | C | CA | N | 121.9° | 20.0° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| O | C | CA | CB | 116.9° | 100.0° |
| O | C | CA | HA | 3.5° | 140.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HA | 120.2° | 119.9° |
| N | CA | CB | CG | 51.7° | 64.9° |
| N | CA | CB | HB | 68.8° | 55.0° |
| N | CA | CB | HBA | 172.2° | 175.0° |
| H | N | CA | CB | 57.3° | 60.1° |
| H | N | CA | HA | 62.2° | 180.0° |
| H2 | N | CA | CB | 177.2° | 63.9° |
| H2 | N | CA | HA | 57.8° | 56.0° |
| N6 | N7 | N8 | HN8 | 0.6° | 177.7° |
| N7 | N6 | C32 | C31 | 111.2° | 120.0° |
| N7 | N6 | C32 | H33 | 128.8° | 120.0° |
| N7 | N6 | C32 | H34 | 8.9° | 0.0° |
| C32 | N6 | N7 | N8 | 140.7° | 90.4° |
| N6 | C32 | C31 | OH | 108.1° | 65.0° |
| N6 | C32 | C31 | H33 | 120.0° | 120.0° |
| N6 | C32 | C31 | H34 | 120.1° | 120.0° |
| N6 | C32 | C31 | H31 | 11.6° | 55.0° |
| N6 | C32 | C31 | H32 | 132.2° | 175.0° |
| N6 | C32 | H33 | H34 | 119.9° | 120.0° |
| CA | CB | CG | HB | 120.5° | 120.0° |
| CA | CB | CG | HBA | 120.5° | 120.1° |
| CA | CB | HB | HBA | 118.4° | 120.0° |
| CA | CB | CG | CD2 | 90.9° | 90.3° |
| CA | CB | CG | CD1 | 84.6° | 90.0° |
| HA | CA | CB | CG | 68.4° | 55.0° |
| HA | CA | CB | HB | 171.1° | 175.0° |
| HA | CA | CB | HBA | 52.1° | 65.1° |
| CG | CB | HB | HBA | 118.5° | 120.0° |
| CB | CG | CD2 | CD1 | 175.6° | 179.7° |
| CB | CG | CD1 | CE1 | 174.5° | 180.0° |
| CB | CG | CD1 | HD1 | 5.5° | 0.1° |
| CB | CG | CD2 | CE2 | 174.0° | 180.0° |
| CB | CG | CD2 | HD2 | 6.1° | 0.0° |
| HB | CB | CG | CD2 | 29.6° | 149.7° |
| HB | CB | CG | CD1 | 154.9° | 30.0° |
| HBA | CB | CG | CD2 | 148.7° | 29.7° |
| HBA | CB | CG | CD1 | 35.9° | 149.9° |
| CG | CD2 | CE2 | CZ | 0.5° | 0.0° |
| CD2 | CG | CD1 | CE1 | 1.1° | 0.4° |
| CD2 | CG | CD1 | HD1 | 178.9° | 179.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | HE2 | 179.5° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.6° | 0.1° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 1.6° | 0.3° |
| CD1 | CG | CD2 | HD2 | 178.4° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.4° | 179.7° |
| C31 | OH | CZ | CE2 | 2.2° | 0.4° |
| C31 | OH | CZ | CE1 | 175.2° | 180.0° |
| OH | C31 | C32 | H31 | 119.7° | 120.0° |
| OH | C31 | C32 | H32 | 119.7° | 120.0° |
| OH | C31 | H31 | H32 | 120.8° | 120.1° |
| OH | C31 | C32 | H33 | 11.9° | 55.0° |
| OH | C31 | C32 | H34 | 131.8° | 175.0° |
| OH | CZ | CE2 | CE1 | 177.2° | 179.7° |
| CZ | OH | C31 | C32 | 177.6° | 180.0° |
| CZ | OH | C31 | H31 | 62.7° | 60.1° |
| CZ | OH | C31 | H32 | 57.9° | 60.0° |
| OH | CZ | CE1 | CD1 | 179.3° | 180.0° |
| OH | CZ | CE2 | CD2 | 178.4° | 180.0° |
| OH | CZ | CE1 | HE1 | 0.7° | 0.3° |
| OH | CZ | CE2 | HE2 | 1.6° | 0.4° |
| CE2 | CZ | CE1 | CD1 | 1.8° | 0.3° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.6° |
| CZ | CE2 | CD2 | HD2 | 179.5° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 178.2° | 179.9° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.7° |
| CZ | CE1 | CD1 | HD1 | 179.4° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 1.3° | 0.3° |
| CE1 | CZ | CE2 | HE2 | 178.8° | 180.0° |
| C32 | C31 | H31 | H32 | 120.8° | 120.0° |
| C31 | C32 | H33 | H34 | 119.9° | 120.0° |
| H31 | C31 | C32 | H33 | 131.7° | 175.0° |
| H31 | C31 | C32 | H34 | 108.4° | 65.0° |
| H32 | C31 | C32 | H33 | 107.8° | 65.1° |
| H32 | C31 | C32 | H34 | 12.1° | 55.0° |
| HD1 | CD1 | CE1 | HE1 | 0.6° | 0.2° |
| HD2 | CD2 | CE2 | HE2 | 0.5° | 0.3° |
