X5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | CA | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | CZ | doub | 1.38Å | 1.38Å | Aromatic |
| CZ | I1 | sing | 2.09Å | 2.10Å | |
| CZ | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| CE2 | CD2 | doub | 1.38Å | 1.38Å | Aromatic |
| CA | C | sing | 1.51Å | 1.55Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | 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 | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | CA | N | 110.9° | 109.5° |
| C1 | CA | CB | 109.2° | 109.4° |
| C1 | CA | C | 110.4° | 109.5° |
| CA | C1 | H3 | 109.5° | 109.5° |
| CA | C1 | H1 | 109.5° | 109.5° |
| CA | C1 | HB1 | 109.4° | 109.5° |
| N | CA | CB | 106.4° | 109.5° |
| N | CA | C | 106.9° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.4° | 111.0° |
| CA | CB | CG | 117.2° | 109.5° |
| CB | CA | C | 112.9° | 109.5° |
| CA | CB | HB2 | 107.5° | 109.5° |
| CA | CB | HB3 | 107.5° | 109.5° |
| CB | CG | CD1 | 121.0° | 119.9° |
| CB | CG | CD2 | 120.8° | 120.0° |
| CG | CB | HB2 | 107.5° | 109.4° |
| CG | CB | HB3 | 107.5° | 109.5° |
| CG | CD1 | CE1 | 121.6° | 120.0° |
| CD1 | CG | CD2 | 118.1° | 120.0° |
| CG | CD1 | HD1 | 119.2° | 120.0° |
| CD1 | CE1 | CZ | 119.1° | 120.0° |
| CD1 | CE1 | HE1 | 120.4° | 120.0° |
| CE1 | CD1 | HD1 | 119.2° | 120.0° |
| CE1 | CZ | I1 | 119.4° | 120.0° |
| CE1 | CZ | CE2 | 120.6° | 120.0° |
| CZ | CE1 | HE1 | 120.5° | 120.0° |
| I1 | CZ | CE2 | 120.1° | 120.0° |
| CZ | CE2 | CD2 | 119.5° | 120.0° |
| CZ | CE2 | HE2 | 120.3° | 120.0° |
| CE2 | CD2 | CG | 121.1° | 120.0° |
| CD2 | CE2 | HE2 | 120.2° | 120.0° |
| CE2 | CD2 | HD2 | 119.5° | 120.0° |
| CA | C | O | 117.4° | 120.0° |
| CA | C | OXT | 118.6° | 120.0° |
| O | C | OXT | 123.9° | 120.0° |
| CG | CD2 | HD2 | 119.4° | 120.0° |
| H2 | N | H | 109.5° | 111.0° |
| H3 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | HB1 | 109.5° | 109.4° |
| H1 | C1 | HB1 | 109.5° | 109.5° |
| 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) |
| C1 | CA | N | CB | 118.7° | 120.0° |
| C1 | CA | N | C | 120.5° | 120.0° |
| C1 | CA | CB | C | 123.2° | 120.0° |
| C1 | CA | CB | CG | 53.2° | 65.0° |
| C1 | CA | C | O | 166.5° | 95.0° |
| C1 | CA | N | H2 | 180.0° | 56.1° |
| C1 | CA | N | H | 60.0° | 179.9° |
| CA | C1 | H3 | H1 | 120.0° | 120.0° |
| CA | C1 | H3 | HB1 | 120.0° | 120.0° |
| CA | C1 | H1 | HB1 | 120.0° | 120.0° |
| C1 | CA | CB | HB2 | 67.9° | 55.0° |
| C1 | CA | CB | HB3 | 174.3° | 175.0° |
| C1 | CA | C | OXT | 16.0° | 85.0° |
| N | CA | CB | C | 117.0° | 120.0° |
| N | CA | CB | CG | 173.0° | 55.0° |
| N | CA | C | O | 72.7° | 145.0° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | C1 | H3 | 180.0° | 60.0° |
| N | CA | C1 | H1 | 60.0° | 180.0° |
| N | CA | C1 | HB1 | 60.0° | 60.0° |
| N | CA | CB | HB2 | 51.8° | 175.0° |
| N | CA | CB | HB3 | 65.9° | 65.0° |
| N | CA | C | OXT | 104.8° | 35.0° |
| CA | CB | CG | HB2 | 121.1° | 120.0° |
| CA | CB | CG | HB3 | 121.1° | 120.0° |
| CA | CB | CG | CD1 | 93.7° | 90.0° |
| CB | CA | C | O | 43.9° | 25.0° |
| CA | CB | CG | CD2 | 88.8° | 90.0° |
| CB | CA | N | H2 | 61.3° | 176.0° |
| CB | CA | N | H | 58.7° | 60.0° |
| CB | CA | C1 | H3 | 63.1° | 60.0° |
| CB | CA | C1 | H1 | 176.9° | 60.0° |
| CB | CA | C1 | HB1 | 56.9° | 180.0° |
| CA | CB | HB2 | HB3 | 116.5° | 120.0° |
| CB | CA | C | OXT | 138.6° | 155.0° |
| CB | CG | CD1 | CD2 | 177.6° | 180.0° |
| CB | CG | CD1 | CE1 | 178.4° | 180.0° |
| CB | CG | CD2 | CE2 | 178.7° | 180.0° |
| CG | CB | CA | C | 70.1° | 175.0° |
| CB | CG | CD1 | HD1 | 1.6° | 0.0° |
| CB | CG | CD2 | HD2 | 1.3° | 0.3° |
| CG | CB | HB2 | HB3 | 116.5° | 120.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CD1 | CG | CD2 | CE2 | 1.1° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CD1 | CG | CD2 | HD2 | 178.9° | 179.7° |
| CD1 | CG | CB | HB2 | 27.4° | 150.0° |
| CD1 | CG | CB | HB3 | 145.2° | 30.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | I1 | 179.9° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.4° | 0.0° |
| CE1 | CD1 | CG | CD2 | 0.8° | 0.0° |
| CE1 | CZ | I1 | CE2 | 179.5° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.2° | 0.0° |
| CE1 | CZ | CE2 | HE2 | 179.8° | 179.7° |
| CZ | CE1 | CD1 | HD1 | 179.9° | 180.0° |
| I1 | CZ | CE2 | CD2 | 179.6° | 179.9° |
| I1 | CZ | CE2 | HE2 | 0.4° | 0.3° |
| I1 | CZ | CE1 | HE1 | 0.1° | 0.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.8° |
| CZ | CE2 | CD2 | CG | 0.6° | 0.0° |
| CE2 | CZ | CE1 | HE1 | 179.6° | 180.0° |
| CZ | CE2 | CD2 | HD2 | 179.4° | 179.7° |
| CE2 | CD2 | CG | HD2 | 180.0° | 179.7° |
| CA | C | O | OXT | 177.3° | 180.0° |
| C | CA | N | H2 | 59.5° | 63.9° |
| C | CA | N | H | 179.6° | 60.0° |
| C | CA | C1 | H3 | 61.6° | 180.0° |
| C | CA | C1 | H1 | 58.4° | 60.0° |
| C | CA | C1 | HB1 | 178.4° | 60.0° |
| C | CA | CB | HB2 | 168.8° | 65.0° |
| C | CA | CB | HB3 | 51.0° | 55.0° |
| CA | C | OXT | HXT | 177.3° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.4° | 179.7° |
| CD2 | CG | CD1 | HD1 | 179.2° | 180.0° |
| CD2 | CG | CB | HB2 | 150.1° | 30.0° |
| CD2 | CG | CB | HB3 | 32.3° | 150.0° |
| HE2 | CE2 | CD2 | HD2 | 0.6° | 0.1° |
| HE1 | CE1 | CD1 | HD1 | 0.1° | 0.0° |
| H3 | C1 | H1 | HB1 | 120.0° | 119.9° |
