4SJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CN | N | sing | 1.47Å | 1.48Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | CB1 | sing | 1.53Å | 1.53Å | |
| CB | CB2 | sing | 1.53Å | 1.56Å | |
| CB | CG | sing | 1.51Å | 1.39Å | |
| CD1 | CG | doub | 1.38Å | 1.41Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.41Å | Aromatic |
| CE1 | CZ | doub | 1.38Å | 1.41Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.41Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | H1 | sing | 1.08Å | 1.08Å | |
| CD2 | H3 | sing | 1.08Å | 1.08Å | |
| CA | H5 | sing | 1.09Å | 1.10Å | |
| CE1 | H6 | sing | 1.08Å | 1.08Å | |
| N | H32 | sing | 1.01Å | 1.00Å | |
| CN | H34 | sing | 1.09Å | 1.10Å | |
| CN | H35 | sing | 1.09Å | 1.10Å | |
| CN | H36 | sing | 1.09Å | 1.10Å | |
| CB1 | H37 | sing | 1.09Å | 1.10Å | |
| CB1 | H38 | sing | 1.09Å | 1.10Å | |
| CB1 | H39 | sing | 1.09Å | 1.10Å | |
| CB2 | H40 | sing | 1.09Å | 1.10Å | |
| CB2 | H41 | sing | 1.09Å | 1.10Å | |
| CB2 | H42 | sing | 1.09Å | 1.10Å | |
| CZ | H43 | sing | 1.08Å | 1.08Å | |
| CE2 | H44 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CN | N | CA | 109.7° | 111.0° |
| CN | N | H32 | 109.4° | 110.9° |
| N | CN | H34 | 109.5° | 109.5° |
| N | CN | H35 | 109.5° | 109.5° |
| N | CN | H36 | 109.4° | 109.5° |
| O | C | CA | 118.7° | 120.0° |
| O | C | OXT | 123.4° | 120.0° |
| C | CA | N | 105.4° | 109.5° |
| C | CA | CB | 110.8° | 109.5° |
| C | CA | H5 | 110.1° | 109.5° |
| CA | C | OXT | 117.9° | 120.0° |
| N | CA | CB | 109.3° | 109.5° |
| N | CA | H5 | 111.1° | 109.4° |
| CA | N | H32 | 109.4° | 111.1° |
| CA | CB | CB1 | 106.8° | 109.5° |
| CA | CB | CB2 | 109.8° | 109.5° |
| CA | CB | CG | 112.0° | 109.5° |
| CB | CA | H5 | 109.9° | 109.5° |
| CB1 | CB | CB2 | 110.6° | 109.5° |
| CB1 | CB | CG | 106.8° | 109.4° |
| CB | CB1 | H37 | 109.5° | 109.5° |
| CB | CB1 | H38 | 109.5° | 109.5° |
| CB | CB1 | H39 | 109.4° | 109.5° |
| CB2 | CB | CG | 110.7° | 109.5° |
| CB | CB2 | H40 | 109.5° | 109.5° |
| CB | CB2 | H41 | 109.5° | 109.5° |
| CB | CB2 | H42 | 109.5° | 109.5° |
| CB | CG | CD1 | 117.6° | 120.0° |
| CB | CG | CD2 | 123.6° | 120.0° |
| CG | CD1 | CE1 | 121.0° | 120.0° |
| CD1 | CG | CD2 | 118.8° | 119.9° |
| CG | CD1 | H1 | 119.5° | 120.0° |
| CD1 | CE1 | CZ | 119.5° | 120.0° |
| CE1 | CD1 | H1 | 119.5° | 120.0° |
| CD1 | CE1 | H6 | 120.2° | 120.0° |
| CG | CD2 | CE2 | 120.4° | 120.0° |
| CG | CD2 | H3 | 119.8° | 120.0° |
| CE1 | CZ | CE2 | 120.4° | 120.0° |
| CZ | CE1 | H6 | 120.2° | 120.0° |
| CE1 | CZ | H43 | 119.8° | 120.0° |
| CD2 | CE2 | CZ | 119.8° | 120.0° |
| CE2 | CD2 | H3 | 119.8° | 120.0° |
| CD2 | CE2 | H44 | 120.1° | 120.0° |
| CE2 | CZ | H43 | 119.8° | 120.0° |
| CZ | CE2 | H44 | 120.1° | 120.0° |
| H34 | CN | H35 | 109.4° | 109.5° |
| H34 | CN | H36 | 109.5° | 109.5° |
| H35 | CN | H36 | 109.5° | 109.5° |
| H37 | CB1 | H38 | 109.5° | 109.5° |
| H37 | CB1 | H39 | 109.5° | 109.4° |
| H38 | CB1 | H39 | 109.5° | 109.5° |
| H40 | CB2 | H41 | 109.5° | 109.5° |
| H40 | CB2 | H42 | 109.5° | 109.4° |
| H41 | CB2 | H42 | 109.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CN | N | CA | C | 88.2° | 85.1° |
| CN | N | CA | H32 | 120.0° | 124.0° |
| CN | N | CA | CB | 152.6° | 154.9° |
| CN | N | CA | H5 | 31.1° | 34.9° |
| N | CN | H34 | H35 | 120.0° | 120.0° |
| N | CN | H34 | H36 | 120.0° | 120.0° |
| N | CN | H35 | H36 | 120.0° | 120.0° |
| O | C | CA | OXT | 179.6° | 179.9° |
| O | C | CA | N | 35.4° | 27.2° |
| O | C | CA | CB | 82.8° | 92.8° |
| O | C | CA | H5 | 155.4° | 147.2° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 119.1° | 120.0° |
| C | CA | N | H5 | 119.3° | 120.0° |
| C | CA | CB | H5 | 122.0° | 120.0° |
| C | CA | CB | CB1 | 63.4° | 53.5° |
| C | CA | CB | CB2 | 56.5° | 66.5° |
| C | CA | CB | CG | 180.0° | 173.4° |
| C | CA | N | H32 | 151.8° | 151.0° |
| CA | C | OXT | HXT | 179.6° | 179.9° |
| N | CA | CB | H5 | 122.3° | 120.0° |
| N | CA | CB | CB1 | 179.2° | 173.5° |
| N | CA | CB | CB2 | 59.3° | 53.5° |
| N | CA | CB | CG | 64.2° | 66.6° |
| CA | N | CN | H34 | 180.0° | 64.6° |
| CA | N | CN | H35 | 60.0° | 175.4° |
| CA | N | CN | H36 | 60.0° | 55.3° |
| N | CA | C | OXT | 145.0° | 152.9° |
| CA | CB | CB1 | CB2 | 119.4° | 120.0° |
| CA | CB | CB1 | CG | 120.0° | 120.0° |
| CA | CB | CB2 | CG | 124.2° | 120.1° |
| CA | CB | CG | CD1 | 54.3° | 180.0° |
| CA | CB | CG | CD2 | 125.0° | 0.1° |
| CB | CA | N | H32 | 32.6° | 31.0° |
| CA | CB | CB1 | H37 | 180.0° | 60.0° |
| CA | CB | CB1 | H38 | 60.0° | 60.0° |
| CA | CB | CB1 | H39 | 60.0° | 180.0° |
| CA | CB | CB2 | H40 | 180.0° | 177.2° |
| CA | CB | CB2 | H41 | 60.0° | 57.2° |
| CA | CB | CB2 | H42 | 60.0° | 62.8° |
| CB | CA | C | OXT | 96.8° | 87.1° |
| CB1 | CB | CB2 | CG | 118.2° | 119.9° |
| CB1 | CB | CG | CD1 | 62.3° | 60.1° |
| CB1 | CB | CG | CD2 | 118.3° | 120.0° |
| CB1 | CB | CA | H5 | 58.5° | 66.5° |
| CB | CB1 | H37 | H38 | 120.0° | 120.0° |
| CB | CB1 | H37 | H39 | 120.0° | 120.0° |
| CB | CB1 | H38 | H39 | 120.0° | 120.1° |
| CB1 | CB | CB2 | H40 | 62.4° | 62.8° |
| CB1 | CB | CB2 | H41 | 177.6° | 177.2° |
| CB1 | CB | CB2 | H42 | 57.6° | 57.2° |
| CB2 | CB | CG | CD1 | 177.3° | 59.9° |
| CB2 | CB | CG | CD2 | 2.1° | 120.0° |
| CB2 | CB | CA | H5 | 178.4° | 173.5° |
| CB2 | CB | CB1 | H37 | 60.6° | 60.0° |
| CB2 | CB | CB1 | H38 | 59.4° | 180.0° |
| CB2 | CB | CB1 | H39 | 179.4° | 60.0° |
| CB | CB2 | H40 | H41 | 120.0° | 120.0° |
| CB | CB2 | H40 | H42 | 120.0° | 120.0° |
| CB | CB2 | H41 | H42 | 120.0° | 120.0° |
| CB | CG | CD1 | CD2 | 179.4° | 179.9° |
| CB | CG | CD1 | CE1 | 179.0° | 180.0° |
| CB | CG | CD2 | CE2 | 179.3° | 180.0° |
| CB | CG | CD1 | H1 | 1.0° | 0.2° |
| CB | CG | CD2 | H3 | 0.7° | 0.1° |
| CG | CB | CA | H5 | 58.1° | 53.4° |
| CG | CB | CB1 | H37 | 60.0° | 180.0° |
| CG | CB | CB1 | H38 | 179.9° | 60.0° |
| CG | CB | CB1 | H39 | 60.0° | 60.0° |
| CG | CB | CB2 | H40 | 55.8° | 57.2° |
| CG | CB | CB2 | H41 | 64.3° | 62.9° |
| CG | CB | CB2 | H42 | 175.8° | 177.1° |
| CG | CD1 | CE1 | H1 | 180.0° | 179.8° |
| CG | CD1 | CE1 | CZ | 1.6° | 0.1° |
| CD1 | CG | CD2 | CE2 | 0.0° | 0.1° |
| CD1 | CG | CD2 | H3 | 180.0° | 180.0° |
| CG | CD1 | CE1 | H6 | 178.4° | 180.0° |
| CE1 | CD1 | CG | CD2 | 0.4° | 0.1° |
| CD1 | CE1 | CZ | H6 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 2.5° | 0.0° |
| CD1 | CE1 | CZ | H43 | 177.5° | 179.9° |
| CG | CD2 | CE2 | H3 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.9° | 0.0° |
| CD2 | CG | CD1 | H1 | 179.6° | 179.7° |
| CG | CD2 | CE2 | H44 | 179.1° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 2.1° | 0.1° |
| CE1 | CZ | CE2 | H43 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | H1 | 178.4° | 179.7° |
| CE1 | CZ | CE2 | H44 | 177.9° | 179.9° |
| CD2 | CE2 | CZ | H44 | 180.0° | 179.8° |
| CD2 | CE2 | CZ | H43 | 177.9° | 180.0° |
| CZ | CE2 | CD2 | H3 | 179.1° | 179.9° |
| CE2 | CZ | CE1 | H6 | 177.5° | 179.9° |
| H1 | CD1 | CE1 | H6 | 1.6° | 0.2° |
| H3 | CD2 | CE2 | H44 | 0.9° | 0.0° |
| H5 | CA | N | H32 | 88.9° | 89.1° |
| H5 | CA | C | OXT | 25.0° | 32.9° |
| H6 | CE1 | CZ | H43 | 2.5° | 0.0° |
| H32 | N | CN | H34 | 59.9° | 171.3° |
| H32 | N | CN | H35 | 60.0° | 51.4° |
| H32 | N | CN | H36 | 180.0° | 68.7° |
| H34 | CN | H35 | H36 | 120.0° | 120.0° |
| H37 | CB1 | H38 | H39 | 120.0° | 119.9° |
| H40 | CB2 | H41 | H42 | 120.0° | 120.0° |
| H43 | CZ | CE2 | H44 | 2.1° | 0.2° |
