3DJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.43Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| O2 | C1 | doub | 1.21Å | 1.22Å | |
| N1 | CG | sing | 1.39Å | 1.43Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C1 | CB | sing | 1.51Å | 1.52Å | |
| C1 | CD2 | sing | 1.47Å | 1.51Å | |
| CG | CD2 | doub | 1.40Å | 1.38Å | Aromatic |
| CG | CD1 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | CD1 | sing | 1.36Å | 1.40Å | |
| CD2 | CE2 | sing | 1.40Å | 1.39Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CE2 | H8 | sing | 1.08Å | 1.08Å | |
| CZ | H9 | sing | 1.08Å | 1.08Å | |
| CE1 | H10 | sing | 1.08Å | 1.08Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 107.5° | 109.4° |
| N | CA | CB | 111.9° | 109.5° |
| N | CA | H2 | 110.3° | 109.4° |
| CA | N | H3 | 109.5° | 111.0° |
| CA | N | H4 | 109.5° | 111.0° |
| C | CA | CB | 108.8° | 109.5° |
| CA | C | O | 119.3° | 120.0° |
| CA | C | OXT | 120.6° | 120.0° |
| C | CA | H2 | 109.2° | 109.5° |
| CA | CB | C1 | 112.5° | 109.5° |
| CB | CA | H2 | 109.1° | 109.5° |
| CA | CB | H6 | 108.7° | 109.5° |
| CA | CB | H7 | 108.7° | 109.5° |
| O | C | OXT | 120.1° | 120.0° |
| O2 | C1 | CB | 122.0° | 120.0° |
| O2 | C1 | CD2 | 116.9° | 120.0° |
| N1 | CG | CD2 | 117.9° | 120.3° |
| N1 | CG | CD1 | 122.4° | 120.2° |
| CG | N1 | H12 | 109.5° | 119.9° |
| CG | N1 | H13 | 109.4° | 120.1° |
| C | OXT | H1 | 109.5° | 117.0° |
| CB | C1 | CD2 | 121.1° | 120.0° |
| C1 | CB | H6 | 108.7° | 109.5° |
| C1 | CB | H7 | 108.7° | 109.5° |
| C1 | CD2 | CG | 115.9° | 120.2° |
| C1 | CD2 | CE2 | 123.2° | 120.2° |
| CD2 | CG | CD1 | 119.7° | 119.6° |
| CG | CD2 | CE2 | 120.9° | 119.5° |
| CG | CD1 | O3 | 120.2° | 120.0° |
| CG | CD1 | CE1 | 120.1° | 120.0° |
| O3 | CD1 | CE1 | 119.7° | 120.0° |
| CD1 | O3 | H11 | 109.5° | 114.1° |
| CD2 | CE2 | CZ | 119.4° | 120.0° |
| CD2 | CE2 | H8 | 120.3° | 120.0° |
| CD1 | CE1 | CZ | 119.9° | 120.5° |
| CD1 | CE1 | H10 | 120.0° | 119.8° |
| CE2 | CZ | CE1 | 120.0° | 120.4° |
| CZ | CE2 | H8 | 120.3° | 120.0° |
| CE2 | CZ | H9 | 120.0° | 119.8° |
| CE1 | CZ | H9 | 120.0° | 119.8° |
| CZ | CE1 | H10 | 120.0° | 119.8° |
| H3 | N | H4 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.4° |
| H12 | N1 | H13 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 121.3° | 120.0° |
| N | CA | C | H2 | 119.7° | 119.9° |
| N | CA | CB | H2 | 122.3° | 120.0° |
| N | CA | C | O | 22.3° | 20.0° |
| N | CA | C | OXT | 157.2° | 160.0° |
| N | CA | CB | C1 | 58.4° | 65.0° |
| CA | N | H3 | H4 | 120.0° | 124.0° |
| N | CA | CB | H6 | 62.0° | 175.0° |
| N | CA | CB | H7 | 178.9° | 55.0° |
| C | CA | CB | H2 | 119.0° | 120.0° |
| CA | C | O | OXT | 179.5° | 180.0° |
| C | CA | CB | C1 | 177.1° | 175.0° |
| CA | C | OXT | H1 | 179.5° | 179.9° |
| C | CA | N | H3 | 180.0° | 60.0° |
| C | CA | N | H4 | 60.0° | 176.1° |
| C | CA | CB | H6 | 56.6° | 55.0° |
| C | CA | CB | H7 | 62.5° | 65.0° |
| CB | CA | C | O | 99.0° | 100.0° |
| CA | CB | C1 | O2 | 72.6° | 0.3° |
| CB | CA | C | OXT | 81.5° | 80.0° |
| CA | CB | C1 | H6 | 120.5° | 120.0° |
| CA | CB | C1 | H7 | 120.4° | 120.0° |
| CA | CB | C1 | CD2 | 108.4° | 180.0° |
| CB | CA | N | H3 | 60.6° | 60.0° |
| CB | CA | N | H4 | 179.4° | 63.9° |
| CA | CB | H6 | H7 | 118.6° | 120.0° |
| O | C | OXT | H1 | 0.0° | 0.1° |
| O | C | CA | H2 | 142.0° | 139.9° |
| O2 | C1 | CB | CD2 | 179.0° | 179.7° |
| O2 | C1 | CD2 | CG | 1.8° | 6.0° |
| O2 | C1 | CD2 | CE2 | 178.6° | 174.2° |
| O2 | C1 | CB | H6 | 47.8° | 120.3° |
| O2 | C1 | CB | H7 | 167.0° | 119.8° |
| N1 | CG | CD2 | C1 | 0.3° | 0.0° |
| N1 | CG | CD2 | CD1 | 179.6° | 179.8° |
| N1 | CG | CD1 | O3 | 0.1° | 0.0° |
| N1 | CG | CD2 | CE2 | 179.9° | 179.7° |
| N1 | CG | CD1 | CE1 | 179.9° | 179.8° |
| CG | N1 | H12 | H13 | 120.0° | 180.0° |
| OXT | C | CA | H2 | 37.5° | 40.1° |
| CB | C1 | CD2 | CG | 177.2° | 174.2° |
| CB | C1 | CD2 | CE2 | 2.4° | 5.5° |
| C1 | CB | CA | H2 | 63.9° | 55.0° |
| C1 | CB | H6 | H7 | 118.6° | 120.0° |
| C1 | CD2 | CG | CE2 | 179.6° | 179.7° |
| C1 | CD2 | CG | CD1 | 179.9° | 179.8° |
| C1 | CD2 | CE2 | CZ | 179.9° | 180.0° |
| CD2 | C1 | CB | H6 | 131.1° | 60.0° |
| CD2 | C1 | CB | H7 | 12.0° | 60.0° |
| C1 | CD2 | CE2 | H8 | 0.1° | 0.0° |
| CD2 | CG | CD1 | O3 | 179.7° | 179.8° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.5° |
| CG | CD2 | CE2 | CZ | 0.5° | 0.3° |
| CG | CD2 | CE2 | H8 | 179.5° | 179.8° |
| CD2 | CG | N1 | H12 | 180.0° | 5.4° |
| CD2 | CG | N1 | H13 | 60.0° | 174.5° |
| CG | CD1 | O3 | CE1 | 179.9° | 179.8° |
| CD1 | CG | CD2 | CE2 | 0.5° | 0.5° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.2° |
| CG | CD1 | CE1 | H10 | 180.0° | 179.8° |
| CG | CD1 | O3 | H11 | 180.0° | 89.8° |
| CD1 | CG | N1 | H12 | 0.4° | 174.3° |
| CD1 | CG | N1 | H13 | 119.6° | 5.7° |
| O3 | CD1 | CE1 | CZ | 179.9° | 180.0° |
| O3 | CD1 | CE1 | H10 | 0.1° | 0.0° |
| CD2 | CE2 | CZ | H8 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.3° | 0.0° |
| CD2 | CE2 | CZ | H9 | 179.7° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.0° | 0.0° |
| CD1 | CE1 | CZ | H10 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | H9 | 179.9° | 180.0° |
| CE1 | CD1 | O3 | H11 | 0.0° | 90.0° |
| CE2 | CZ | CE1 | H9 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | H10 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | H8 | 179.7° | 180.0° |
| H2 | CA | N | H3 | 61.0° | 180.0° |
| H2 | CA | N | H4 | 59.0° | 56.1° |
| H2 | CA | CB | H6 | 175.7° | 65.1° |
| H2 | CA | CB | H7 | 56.6° | 175.0° |
| H8 | CE2 | CZ | H9 | 0.3° | 0.0° |
| H9 | CZ | CE1 | H10 | 0.0° | 0.0° |
