5CR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAL | sing | 1.51Å | 1.50Å | |
| CAL | OAB | doub | 1.21Å | 1.24Å | |
| CAL | N | sing | 1.35Å | 1.39Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| C | OXT | sing | 1.34Å | 1.28Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| CB | CG | sing | 1.51Å | 1.42Å | |
| CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | CZ | sing | 1.38Å | 1.38Å | Aromatic |
| CZ | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAL | OAB | 119.2° | 120.1° |
| CAA | CAL | N | 112.2° | 120.0° |
| CAL | CAA | HAA1 | 109.5° | 109.4° |
| CAL | CAA | HAA2 | 109.4° | 109.5° |
| CAL | CAA | HAA3 | 109.4° | 109.5° |
| OAB | CAL | N | 128.7° | 120.0° |
| CAL | N | CA | 127.9° | 119.9° |
| CAL | N | H | 116.1° | 120.0° |
| N | CA | C | 111.3° | 109.5° |
| N | CA | CB | 114.2° | 109.4° |
| CA | N | H | 116.0° | 120.0° |
| N | CA | HA | 106.6° | 109.5° |
| C | CA | CB | 112.2° | 109.4° |
| CA | C | OXT | 117.2° | 120.0° |
| CA | C | O | 117.1° | 120.0° |
| C | CA | HA | 105.9° | 109.5° |
| CA | CB | CG | 106.8° | 109.5° |
| CB | CA | HA | 105.9° | 109.5° |
| CA | CB | HB1C | 110.2° | 109.5° |
| CA | CB | HB2C | 110.1° | 109.5° |
| OXT | C | O | 125.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CB | CG | CD1 | 122.9° | 120.0° |
| CB | CG | CD2 | 119.8° | 120.0° |
| CG | CB | HB1C | 110.1° | 109.5° |
| CG | CB | HB2C | 110.1° | 109.5° |
| CD1 | CG | CD2 | 117.3° | 120.0° |
| CG | CD1 | CE1 | 120.7° | 120.0° |
| CG | CD1 | HD1 | 119.6° | 120.0° |
| CG | CD2 | CE2 | 121.6° | 120.0° |
| CG | CD2 | HD2 | 119.2° | 120.0° |
| CD1 | CE1 | CZ | 122.3° | 120.0° |
| CE1 | CD1 | HD1 | 119.7° | 120.0° |
| CD1 | CE1 | HE1 | 118.8° | 120.0° |
| CE1 | CZ | CE2 | 117.5° | 120.0° |
| CZ | CE1 | HE1 | 118.9° | 120.0° |
| CE1 | CZ | HZ | 121.3° | 120.0° |
| CZ | CE2 | CD2 | 120.7° | 120.0° |
| CE2 | CZ | HZ | 121.3° | 120.0° |
| CZ | CE2 | HE2 | 119.7° | 120.0° |
| CE2 | CD2 | HD2 | 119.2° | 120.0° |
| CD2 | CE2 | HE2 | 119.7° | 119.9° |
| HAA1 | CAA | HAA2 | 109.4° | 109.4° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HB1C | CB | HB2C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAL | OAB | N | 179.7° | 179.9° |
| CAA | CAL | N | CA | 178.9° | 180.0° |
| CAL | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAL | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAL | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| CAA | CAL | N | H | 1.1° | 0.0° |
| OAB | CAL | N | CA | 1.4° | 0.1° |
| OAB | CAL | CAA | HAA1 | 0.0° | 0.1° |
| OAB | CAL | CAA | HAA2 | 120.0° | 120.0° |
| OAB | CAL | CAA | HAA3 | 120.0° | 119.9° |
| OAB | CAL | N | H | 178.6° | 179.9° |
| CAL | N | CA | H | 180.0° | 180.0° |
| CAL | N | CA | C | 57.3° | 85.0° |
| CAL | N | CA | CB | 71.1° | 155.0° |
| N | CAL | CAA | HAA1 | 179.7° | 180.0° |
| N | CAL | CAA | HAA2 | 60.3° | 60.1° |
| N | CAL | CAA | HAA3 | 59.7° | 60.0° |
| CAL | N | CA | HA | 172.3° | 35.1° |
| N | CA | C | CB | 129.5° | 119.9° |
| N | CA | C | HA | 115.5° | 120.1° |
| N | CA | CB | HA | 117.0° | 120.0° |
| N | CA | C | OXT | 163.1° | 180.0° |
| N | CA | C | O | 20.5° | 0.1° |
| N | CA | CB | CG | 82.8° | 65.0° |
| N | CA | CB | HB1C | 36.8° | 55.0° |
| N | CA | CB | HB2C | 157.6° | 175.0° |
| C | CA | CB | HA | 115.0° | 120.1° |
| CA | C | OXT | O | 176.1° | 179.9° |
| C | CA | CB | CG | 149.3° | 175.0° |
| C | CA | N | H | 122.7° | 94.9° |
| C | CA | CB | HB1C | 91.1° | 65.0° |
| C | CA | CB | HB2C | 29.7° | 55.0° |
| CA | C | OXT | HXT | 176.1° | 179.9° |
| CB | CA | C | OXT | 33.6° | 60.1° |
| CB | CA | C | O | 149.9° | 120.0° |
| CA | CB | CG | HB1C | 119.6° | 120.0° |
| CA | CB | CG | HB2C | 119.6° | 120.0° |
| CA | CB | CG | CD1 | 109.2° | 90.0° |
| CA | CB | CG | CD2 | 71.4° | 90.3° |
| CB | CA | N | H | 108.8° | 25.0° |
| CA | CB | HB1C | HB2C | 121.2° | 120.0° |
| OXT | C | CA | HA | 81.4° | 60.0° |
| O | C | CA | HA | 95.0° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CB | CG | CD1 | CD2 | 179.5° | 179.7° |
| CB | CG | CD1 | CE1 | 178.9° | 180.0° |
| CB | CG | CD2 | CE2 | 179.0° | 179.8° |
| CG | CB | CA | HA | 34.2° | 55.0° |
| CG | CB | HB1C | HB2C | 121.2° | 120.0° |
| CB | CG | CD1 | HD1 | 1.1° | 0.1° |
| CB | CG | CD2 | HD2 | 1.0° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CD1 | CG | CD2 | CE2 | 1.5° | 0.5° |
| CD1 | CG | CB | HB1C | 10.4° | 30.0° |
| CD1 | CG | CB | HB2C | 131.3° | 150.0° |
| CD1 | CG | CD2 | HD2 | 178.5° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.8° | 179.9° |
| CD2 | CG | CD1 | CE1 | 1.6° | 0.3° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.4° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.8° |
| CD2 | CG | CB | HB1C | 169.0° | 149.7° |
| CD2 | CG | CB | HB2C | 48.2° | 29.7° |
| CD2 | CG | CD1 | HD1 | 178.4° | 179.7° |
| CG | CD2 | CE2 | HE2 | 179.9° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 1.3° | 0.0° |
| CD1 | CE1 | CZ | HZ | 178.7° | 180.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 1.5° | 0.1° |
| CZ | CE1 | CD1 | HD1 | 179.8° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 178.5° | 180.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | HD2 | 179.9° | 179.8° |
| CE2 | CZ | CE1 | HE1 | 178.7° | 180.0° |
| CD2 | CE2 | CZ | HZ | 178.6° | 179.8° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| H | N | CA | HA | 7.7° | 145.0° |
| HA | CA | CB | HB1C | 153.8° | 175.0° |
| HA | CA | CB | HB2C | 85.4° | 65.1° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.1° |
| HE1 | CE1 | CZ | HZ | 1.3° | 0.0° |
| HZ | CZ | CE2 | HE2 | 1.5° | 0.0° |
