9IJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.27Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CG | CD1 | doub | 1.38Å | 1.41Å | Aromatic |
| CG | CD2 | sing | 1.40Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| N01 | C01 | trip | 1.14Å | 1.16Å | |
| C01 | CD2 | sing | 1.43Å | 1.42Å | |
| CD2 | CE2 | doub | 1.40Å | 1.42Å | Aromatic |
| CE1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | 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) |
| O | C | CA | 119.0° | 120.0° |
| O | C | OXT | 121.9° | 120.0° |
| C | CA | CB | 109.8° | 109.5° |
| C | CA | N | 108.8° | 109.5° |
| C | CA | HA | 109.3° | 109.5° |
| CA | C | OXT | 119.0° | 120.0° |
| CB | CA | N | 109.4° | 109.5° |
| CA | CB | CG | 115.4° | 109.5° |
| CB | CA | HA | 109.3° | 109.5° |
| CA | CB | HB2 | 108.0° | 109.5° |
| CA | CB | HB3 | 107.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 110.1° | 109.4° |
| CB | CG | CD1 | 123.1° | 120.1° |
| CB | CG | CD2 | 119.1° | 120.1° |
| CG | CB | HB2 | 108.0° | 109.4° |
| CG | CB | HB3 | 108.0° | 109.4° |
| CD1 | CG | CD2 | 117.7° | 119.8° |
| CG | CD1 | CE1 | 121.4° | 120.2° |
| CG | CD1 | HD1 | 119.3° | 119.9° |
| CG | CD2 | C01 | 118.9° | 120.1° |
| CG | CD2 | CE2 | 120.9° | 119.7° |
| CD1 | CE1 | CZ | 120.4° | 120.3° |
| CE1 | CD1 | HD1 | 119.3° | 119.9° |
| CD1 | CE1 | HE1 | 119.8° | 119.8° |
| N01 | C01 | CD2 | 178.0° | 179.9° |
| C01 | CD2 | CE2 | 120.2° | 120.2° |
| CD2 | CE2 | CZ | 120.0° | 119.9° |
| CD2 | CE2 | HE2 | 120.0° | 120.0° |
| CE1 | CZ | CE2 | 119.7° | 120.2° |
| CZ | CE1 | HE1 | 119.8° | 119.9° |
| CE1 | CZ | HZ | 120.2° | 119.9° |
| CZ | CE2 | HE2 | 120.0° | 120.1° |
| CE2 | CZ | HZ | 120.2° | 119.9° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 176.9° | 180.0° |
| O | C | CA | CB | 59.9° | 100.0° |
| O | C | CA | N | 59.9° | 20.0° |
| O | C | CA | HA | 179.8° | 139.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | CB | N | 119.4° | 120.0° |
| C | CA | CB | HA | 120.0° | 120.1° |
| C | CA | N | HA | 119.9° | 120.0° |
| C | CA | CB | CG | 176.3° | 175.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | HB2 | 62.8° | 65.0° |
| C | CA | CB | HB3 | 55.4° | 55.1° |
| CA | C | OXT | HXT | 176.8° | 180.0° |
| CB | CA | N | HA | 120.1° | 120.0° |
| CA | CB | CG | HB2 | 120.9° | 120.0° |
| CA | CB | CG | HB3 | 120.9° | 120.0° |
| CA | CB | CG | CD1 | 24.9° | 95.0° |
| CA | CB | CG | CD2 | 159.6° | 84.7° |
| CB | CA | N | H | 59.9° | 176.1° |
| CB | CA | N | H2 | 180.0° | 60.0° |
| CA | CB | HB2 | HB3 | 117.3° | 120.1° |
| CB | CA | C | OXT | 117.1° | 80.0° |
| N | CA | CB | CG | 64.3° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 56.6° | 54.9° |
| N | CA | CB | HB3 | 174.8° | 175.0° |
| N | CA | C | OXT | 123.2° | 160.0° |
| CB | CG | CD1 | CD2 | 175.6° | 179.7° |
| CB | CG | CD1 | CE1 | 174.4° | 180.0° |
| CB | CG | CD2 | C01 | 7.2° | 0.0° |
| CB | CG | CD2 | CE2 | 173.9° | 180.0° |
| CG | CB | CA | HA | 56.3° | 55.0° |
| CG | CB | HB2 | HB3 | 117.3° | 120.0° |
| CB | CG | CD1 | HD1 | 5.6° | 0.1° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | C01 | 177.0° | 179.6° |
| CD1 | CG | CD2 | CE2 | 1.9° | 0.3° |
| CG | CD1 | CE1 | CZ | 0.6° | 0.0° |
| CD1 | CG | CB | HB2 | 145.8° | 145.1° |
| CD1 | CG | CB | HB3 | 96.0° | 25.0° |
| CG | CD1 | CE1 | HE1 | 179.4° | 180.0° |
| CD2 | CG | CD1 | CE1 | 1.2° | 0.3° |
| CG | CD2 | C01 | N01 | 13.0° | 133.1° |
| CG | CD2 | C01 | CE2 | 179.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.9° | 0.0° |
| CD2 | CG | CB | HB2 | 38.7° | 35.3° |
| CD2 | CG | CB | HB3 | 79.6° | 155.3° |
| CD2 | CG | CD1 | HD1 | 178.8° | 179.8° |
| CG | CD2 | CE2 | HE2 | 179.1° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 1.6° | 0.3° |
| CD1 | CE1 | CZ | HZ | 178.4° | 179.9° |
| N01 | C01 | CD2 | CE2 | 166.0° | 47.0° |
| C01 | CD2 | CE2 | CZ | 178.0° | 180.0° |
| C01 | CD2 | CE2 | HE2 | 2.0° | 0.1° |
| CD2 | CE2 | CZ | CE1 | 0.9° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | HZ | 179.2° | 179.9° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.8° |
| CZ | CE1 | CD1 | HD1 | 179.4° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.1° | 179.8° |
| CE2 | CZ | CE1 | HE1 | 178.4° | 179.7° |
| H | N | CA | HA | 60.2° | 56.1° |
| H2 | N | CA | HA | 59.9° | 180.0° |
| HA | CA | CB | HB2 | 177.2° | 174.9° |
| HA | CA | CB | HB3 | 64.6° | 65.0° |
| HA | CA | C | OXT | 2.9° | 40.0° |
| HD1 | CD1 | CE1 | HE1 | 0.6° | 0.1° |
| HE1 | CE1 | CZ | HZ | 1.6° | 0.1° |
| HE2 | CE2 | CZ | HZ | 0.8° | 0.0° |
