2R3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| OB | CB | sing | 1.43Å | 1.44Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CB | CG | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CD2 | CG | doub | 1.38Å | 1.38Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.38Å | Aromatic |
| CE2 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ | CE1 | sing | 1.39Å | 1.39Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.38Å | |
| OH | CO | sing | 1.43Å | 1.43Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H63 | sing | 1.09Å | 1.10Å | |
| OB | H64 | sing | 0.97Å | 0.95Å | |
| CD2 | H65 | sing | 1.08Å | 1.08Å | |
| CD1 | H66 | sing | 1.08Å | 1.08Å | |
| CE1 | H67 | sing | 1.08Å | 1.08Å | |
| CO | H68 | sing | 1.09Å | 1.10Å | |
| CO | H69 | sing | 1.09Å | 1.10Å | |
| CO | H70 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 104.19Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CE2 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.5° | 120.0° |
| O | C | OXT | 95.9° | 119.9° |
| C | CA | CB | 106.4° | 109.5° |
| C | CA | N | 106.7° | 109.5° |
| C | CA | HA | 108.1° | 109.4° |
| CA | C | OXT | 140.9° | 120.1° |
| OB | CB | CA | 116.3° | 109.5° |
| OB | CB | CG | 113.4° | 109.5° |
| OB | CB | H63 | 106.2° | 109.5° |
| CB | OB | H64 | 109.5° | 114.0° |
| CA | CB | CG | 109.6° | 109.5° |
| CB | CA | N | 118.7° | 109.5° |
| CB | CA | HA | 107.7° | 109.5° |
| CA | CB | H63 | 105.1° | 109.4° |
| CB | CG | CD2 | 117.8° | 119.9° |
| CB | CG | CD1 | 124.0° | 119.9° |
| CG | CB | H63 | 105.2° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 108.8° | 109.4° |
| CA | N | H2 | 109.5° | 111.0° |
| CG | CD2 | CE2 | 124.3° | 120.1° |
| CD2 | CG | CD1 | 118.1° | 120.2° |
| CG | CD2 | H65 | 117.8° | 120.0° |
| CD2 | CE2 | CZ | 117.3° | 119.9° |
| CE2 | CD2 | H65 | 117.9° | 119.9° |
| CD2 | CE2 | H1 | 121.3° | 120.1° |
| CG | CD1 | CE1 | 118.8° | 120.0° |
| CG | CD1 | H66 | 120.6° | 120.0° |
| CE2 | CZ | CE1 | 119.1° | 119.9° |
| CE2 | CZ | OH | 119.8° | 120.1° |
| CZ | CE2 | H1 | 121.3° | 120.0° |
| CD1 | CE1 | CZ | 122.4° | 119.9° |
| CE1 | CD1 | H66 | 120.6° | 119.9° |
| CD1 | CE1 | H67 | 118.8° | 120.0° |
| CE1 | CZ | OH | 121.1° | 120.0° |
| CZ | CE1 | H67 | 118.8° | 120.0° |
| CZ | OH | CO | 110.8° | 117.1° |
| OH | CO | H68 | 109.5° | 109.5° |
| OH | CO | H69 | 109.5° | 109.5° |
| OH | CO | H70 | 109.5° | 109.4° |
| H | N | H2 | 109.5° | 111.1° |
| H68 | CO | H69 | 109.5° | 109.5° |
| H68 | CO | H70 | 109.4° | 109.5° |
| H69 | CO | H70 | 109.5° | 109.4° |
| C | OXT | HXT | 90.0° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 156.2° | 180.0° |
| O | C | CA | CB | 60.2° | 100.0° |
| O | C | CA | N | 67.5° | 20.0° |
| O | C | CA | HA | 175.6° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C | CA | CB | OB | 99.2° | 55.0° |
| C | CA | CB | N | 120.2° | 120.0° |
| C | CA | CB | HA | 115.7° | 120.0° |
| C | CA | CB | CG | 130.5° | 175.0° |
| C | CA | N | HA | 116.4° | 120.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | CB | H63 | 17.9° | 65.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| OB | CB | CA | CG | 130.3° | 120.0° |
| OB | CB | CA | H63 | 117.1° | 120.0° |
| OB | CB | CG | H63 | 115.7° | 120.0° |
| OB | CB | CA | N | 21.0° | 65.0° |
| OB | CB | CG | CD2 | 127.8° | 34.7° |
| OB | CB | CG | CD1 | 53.9° | 145.0° |
| OB | CB | CA | HA | 145.1° | 175.0° |
| CA | CB | CG | H63 | 112.5° | 120.0° |
| CB | CA | N | HA | 123.5° | 120.0° |
| CA | CB | CG | CD2 | 100.5° | 85.3° |
| CA | CB | CG | CD1 | 77.8° | 95.0° |
| CB | CA | N | H | 59.9° | 176.0° |
| CA | CB | OB | H64 | 180.0° | 60.0° |
| CB | CA | C | OXT | 96.0° | 80.0° |
| CB | CA | N | H2 | 179.9° | 60.0° |
| CG | CB | CA | N | 109.2° | 55.0° |
| CB | CG | CD2 | CD1 | 178.4° | 179.7° |
| CB | CG | CD2 | CE2 | 179.5° | 180.0° |
| CB | CG | CD1 | CE1 | 179.3° | 180.0° |
| CG | CB | CA | HA | 14.9° | 65.0° |
| CG | CB | OB | H64 | 51.6° | 60.0° |
| CB | CG | CD2 | H65 | 0.5° | 0.1° |
| CB | CG | CD1 | H66 | 0.7° | 0.1° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H63 | 138.1° | 175.0° |
| N | CA | C | OXT | 136.2° | 160.0° |
| CG | CD2 | CE2 | H65 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.5° | 0.0° |
| CD2 | CG | CD1 | CE1 | 0.9° | 0.2° |
| CD2 | CG | CB | H63 | 12.1° | 154.7° |
| CD2 | CG | CD1 | H66 | 179.0° | 179.7° |
| CG | CD2 | CE2 | H1 | 179.5° | 180.0° |
| CE2 | CD2 | CG | CD1 | 1.1° | 0.3° |
| CD2 | CE2 | CZ | H1 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.2° | 0.3° |
| CD2 | CE2 | CZ | OH | 179.4° | 180.0° |
| CG | CD1 | CE1 | H66 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.1° |
| CD1 | CG | CB | H63 | 169.6° | 25.0° |
| CD1 | CG | CD2 | H65 | 178.9° | 179.8° |
| CG | CD1 | CE1 | H67 | 179.7° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.3° | 0.3° |
| CE2 | CZ | CE1 | OH | 179.2° | 179.7° |
| CE2 | CZ | OH | CO | 157.7° | 180.0° |
| CZ | CE2 | CD2 | H65 | 179.5° | 179.9° |
| CE2 | CZ | CE1 | H67 | 179.7° | 179.7° |
| CD1 | CE1 | CZ | H67 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | OH | 179.5° | 180.0° |
| CE1 | CZ | OH | CO | 23.1° | 0.3° |
| CZ | CE1 | CD1 | H66 | 179.7° | 179.9° |
| CE1 | CZ | CE2 | H1 | 179.8° | 179.7° |
| OH | CZ | CE1 | H67 | 0.5° | 0.0° |
| CZ | OH | CO | H68 | 180.0° | 180.0° |
| CZ | OH | CO | H69 | 60.0° | 60.0° |
| CZ | OH | CO | H70 | 60.0° | 60.0° |
| OH | CZ | CE2 | H1 | 0.6° | 0.0° |
| OH | CO | H68 | H69 | 120.0° | 120.0° |
| OH | CO | H68 | H70 | 120.0° | 120.0° |
| OH | CO | H69 | H70 | 120.0° | 119.9° |
| H | N | CA | HA | 63.6° | 56.0° |
| HA | CA | CB | H63 | 97.7° | 55.0° |
| HA | CA | C | OXT | 19.4° | 40.0° |
| HA | CA | N | H2 | 56.4° | 180.0° |
| H63 | CB | OB | H64 | 63.5° | 180.0° |
| H65 | CD2 | CE2 | H1 | 0.5° | 0.1° |
| H66 | CD1 | CE1 | H67 | 0.3° | 0.1° |
| H68 | CO | H69 | H70 | 120.0° | 120.0° |
