IB9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| N | CB | sing | 1.47Å | 1.46Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CD1 | CG | doub | 1.38Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE1 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.38Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.36Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | 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 | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 273.25Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 120.5° | 120.0° |
| C | CA | CB | 115.5° | 109.4° |
| C | CA | HA | 107.9° | 109.5° |
| CA | C | OXT | 56.3° | 120.0° |
| C | CA | HA2 | 107.9° | 109.5° |
| O | C | OXT | 155.4° | 120.0° |
| CA | CB | N | 111.0° | 109.5° |
| CA | CB | CG | 107.9° | 109.5° |
| CB | CA | HA | 107.9° | 109.5° |
| CA | CB | HB2 | 107.7° | 109.5° |
| CB | CA | HA2 | 107.9° | 109.5° |
| N | CB | CG | 113.5° | 109.4° |
| N | CB | HB2 | 108.6° | 109.5° |
| CB | N | H2 | 109.5° | 111.1° |
| CB | N | H | 109.5° | 111.0° |
| CB | CG | CD1 | 121.6° | 119.9° |
| CB | CG | CD2 | 120.4° | 119.9° |
| CG | CB | HB2 | 107.9° | 109.4° |
| CG | CD1 | CE1 | 121.3° | 120.1° |
| CD1 | CG | CD2 | 117.9° | 120.1° |
| CG | CD1 | HD1 | 119.3° | 120.0° |
| CD1 | CE1 | CZ | 119.9° | 119.9° |
| CE1 | CD1 | HD1 | 119.4° | 119.9° |
| CD1 | CE1 | HE1 | 120.0° | 120.0° |
| CG | CD2 | CE2 | 121.5° | 120.1° |
| CG | CD2 | HD2 | 119.2° | 120.0° |
| CE1 | CZ | CE2 | 119.6° | 119.9° |
| CE1 | CZ | OH | 119.8° | 120.1° |
| CZ | CE1 | HE1 | 120.0° | 120.0° |
| CD2 | CE2 | CZ | 119.7° | 119.9° |
| CD2 | CE2 | HE2 | 120.1° | 120.1° |
| CE2 | CD2 | HD2 | 119.3° | 120.0° |
| CE2 | CZ | OH | 120.5° | 120.1° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CZ | OH | HH | 109.5° | 114.0° |
| HA | CA | HA2 | 109.5° | 109.5° |
| H2 | N | H | 109.5° | 111.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 75.1° | 180.0° |
| C | CA | CB | HA | 120.9° | 120.0° |
| C | CA | CB | HA2 | 120.9° | 120.0° |
| C | CA | CB | N | 72.8° | 65.0° |
| C | CA | CB | CG | 162.3° | 175.0° |
| C | CA | HA | HA2 | 117.3° | 120.0° |
| C | CA | CB | HB2 | 46.0° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| O | C | CA | CB | 35.8° | 0.0° |
| O | C | CA | HA | 85.0° | 120.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| O | C | CA | HA2 | 156.7° | 120.0° |
| CA | CB | N | CG | 121.7° | 120.0° |
| CA | CB | N | HB2 | 118.2° | 120.1° |
| CA | CB | CG | HB2 | 116.1° | 120.1° |
| CA | CB | CG | CD1 | 97.0° | 80.3° |
| CA | CB | CG | CD2 | 79.2° | 100.0° |
| CB | CA | HA | HA2 | 117.3° | 120.0° |
| CA | CB | N | H2 | 180.0° | 176.1° |
| CA | CB | N | H | 60.0° | 59.9° |
| CB | CA | C | OXT | 115.3° | 180.0° |
| N | CB | CG | HB2 | 120.4° | 119.9° |
| N | CB | CG | CD1 | 26.4° | 39.7° |
| N | CB | CG | CD2 | 157.4° | 140.0° |
| N | CB | CA | HA | 166.4° | 55.0° |
| CB | N | H2 | H | 120.0° | 124.0° |
| N | CB | CA | HA2 | 48.1° | 175.0° |
| CB | CG | CD1 | CD2 | 176.3° | 179.7° |
| CB | CG | CD1 | CE1 | 178.5° | 180.0° |
| CB | CG | CD2 | CE2 | 178.3° | 179.8° |
| CG | CB | CA | HA | 41.4° | 65.0° |
| CB | CG | CD1 | HD1 | 1.5° | 0.1° |
| CB | CG | CD2 | HD2 | 1.6° | 0.0° |
| CG | CB | N | H2 | 58.3° | 64.0° |
| CG | CB | N | H | 61.7° | 60.0° |
| CG | CB | CA | HA2 | 76.9° | 55.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 1.2° | 0.1° |
| CD1 | CG | CD2 | CE2 | 2.0° | 0.5° |
| CD1 | CG | CB | HB2 | 146.8° | 159.7° |
| CG | CD1 | CE1 | HE1 | 178.8° | 179.9° |
| CD1 | CG | CD2 | HD2 | 178.0° | 179.7° |
| CE1 | CD1 | CG | CD2 | 2.2° | 0.2° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.1° |
| CD1 | CE1 | CZ | OH | 179.7° | 180.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.8° |
| CG | CD2 | CE2 | CZ | 0.8° | 0.5° |
| CD2 | CG | CB | HB2 | 36.9° | 20.1° |
| CD2 | CG | CD1 | HD1 | 177.8° | 179.8° |
| CG | CD2 | CE2 | HE2 | 179.2° | 179.7° |
| CE1 | CZ | CE2 | CD2 | 0.3° | 0.2° |
| CE1 | CZ | CE2 | OH | 179.6° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 178.8° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 179.7° | 180.0° |
| CE1 | CZ | OH | HH | 180.0° | 90.0° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.8° |
| CD2 | CE2 | CZ | OH | 179.9° | 179.8° |
| CE2 | CZ | CE1 | HE1 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | HD2 | 179.2° | 179.7° |
| CE2 | CZ | OH | HH | 0.4° | 90.0° |
| OH | CZ | CE1 | HE1 | 0.3° | 0.1° |
| OH | CZ | CE2 | HE2 | 0.1° | 0.0° |
| HA | CA | CB | HB2 | 74.9° | 175.0° |
| HA | CA | C | OXT | 123.9° | 60.0° |
| HB2 | CB | N | H2 | 61.7° | 56.0° |
| HB2 | CB | N | H | 178.2° | 180.0° |
| HB2 | CB | CA | HA2 | 166.9° | 65.0° |
| HD1 | CD1 | CE1 | HE1 | 1.2° | 0.0° |
| HE2 | CE2 | CD2 | HD2 | 0.8° | 0.1° |
| OXT | C | CA | HA2 | 5.6° | 60.0° |
