23S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CE2 | doub | 1.37Å | 1.35Å | Aromatic |
| CD2 | CG | sing | 1.44Å | 1.42Å | Aromatic |
| CD2 | CZ3 | sing | 1.47Å | 1.40Å | Aromatic |
| CE2 | NE1 | sing | 1.35Å | 1.36Å | Aromatic |
| CE2 | SEL | sing | 1.97Å | 1.86Å | Aromatic |
| NE1 | CD1 | sing | 1.37Å | 1.36Å | Aromatic |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CD1 | CG | doub | 1.34Å | 1.36Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CG | CB | sing | 1.51Å | 1.49Å | |
| SEL | CZ2 | sing | 1.98Å | 1.85Å | Aromatic |
| CZ2 | CZ3 | doub | 1.32Å | 1.36Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 52.09Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE2 | CD2 | CG | 107.6° | 104.4° |
| CE2 | CD2 | CZ3 | 113.4° | 118.6° |
| CD2 | CE2 | NE1 | 107.8° | 110.2° |
| CD2 | CE2 | SEL | 112.7° | 103.4° |
| CG | CD2 | CZ3 | 139.0° | 137.1° |
| CD2 | CG | CD1 | 106.9° | 108.2° |
| CD2 | CG | CB | 126.4° | 125.9° |
| CD2 | CZ3 | CZ2 | 116.1° | 123.4° |
| CD2 | CZ3 | HZ3 | 122.0° | 118.4° |
| NE1 | CE2 | SEL | 139.5° | 146.4° |
| CE2 | NE1 | CD1 | 110.0° | 108.6° |
| CE2 | NE1 | HE1 | 124.9° | 125.8° |
| CE2 | SEL | CZ2 | 86.5° | 92.3° |
| CD1 | NE1 | HE1 | 125.0° | 125.6° |
| NE1 | CD1 | CG | 107.6° | 108.6° |
| NE1 | CD1 | HD1 | 126.2° | 125.7° |
| CG | CD1 | HD1 | 126.2° | 125.7° |
| CD1 | CG | CB | 126.6° | 125.9° |
| CG | CB | CA | 122.4° | 109.5° |
| CG | CB | HB1 | 105.4° | 109.4° |
| CG | CB | HB2 | 102.3° | 109.4° |
| SEL | CZ2 | CZ3 | 111.2° | 102.4° |
| SEL | CZ2 | HZ2 | 124.4° | 128.8° |
| CZ3 | CZ2 | HZ2 | 124.4° | 128.8° |
| CZ2 | CZ3 | HZ3 | 122.0° | 118.3° |
| CA | CB | HB1 | 105.3° | 109.5° |
| CA | CB | HB2 | 102.3° | 109.5° |
| CB | CA | N | 101.0° | 109.5° |
| CB | CA | C | 116.7° | 109.4° |
| CB | CA | HA | 110.5° | 109.5° |
| HB1 | CB | HB2 | 120.3° | 109.5° |
| N | CA | C | 109.5° | 109.5° |
| N | CA | HA | 117.6° | 109.5° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| C | CA | HA | 102.2° | 109.5° |
| CA | C | O | 120.0° | 120.0° |
| CA | C | OXT | 65.3° | 120.0° |
| H | N | H2 | 109.5° | 111.1° |
| O | C | OXT | 78.1° | 120.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE2 | CD2 | CG | CZ3 | 179.7° | 179.6° |
| CD2 | CE2 | NE1 | SEL | 179.9° | 180.0° |
| CD2 | CE2 | NE1 | CD1 | 0.1° | 0.1° |
| CD2 | CE2 | NE1 | HE1 | 179.9° | 180.0° |
| CE2 | CD2 | CG | CD1 | 0.5° | 0.0° |
| CE2 | CD2 | CG | CB | 179.8° | 180.0° |
| CD2 | CE2 | SEL | CZ2 | 0.2° | 0.0° |
| CE2 | CD2 | CZ3 | CZ2 | 0.0° | 0.6° |
| CE2 | CD2 | CZ3 | HZ3 | 180.0° | 180.0° |
| CG | CD2 | CE2 | NE1 | 0.4° | 0.0° |
| CG | CD2 | CE2 | SEL | 179.7° | 180.0° |
| CD2 | CG | CD1 | NE1 | 0.4° | 0.1° |
| CD2 | CG | CD1 | CB | 179.3° | 180.0° |
| CD2 | CG | CD1 | HD1 | 179.6° | 180.0° |
| CG | CD2 | CZ3 | CZ2 | 179.7° | 179.8° |
| CG | CD2 | CZ3 | HZ3 | 0.3° | 0.4° |
| CD2 | CG | CB | CA | 75.1° | 85.0° |
| CD2 | CG | CB | HB1 | 165.0° | 155.0° |
| CD2 | CG | CB | HB2 | 38.4° | 35.0° |
| CZ3 | CD2 | CE2 | NE1 | 179.8° | 179.7° |
| CZ3 | CD2 | CE2 | SEL | 0.1° | 0.3° |
| CZ3 | CD2 | CG | CD1 | 179.8° | 179.6° |
| CZ3 | CD2 | CG | CB | 0.5° | 0.3° |
| CD2 | CZ3 | CZ2 | SEL | 0.1° | 0.5° |
| CD2 | CZ3 | CZ2 | HZ3 | 180.0° | 179.5° |
| CD2 | CZ3 | CZ2 | HZ2 | 179.8° | 179.8° |
| CE2 | NE1 | CD1 | HE1 | 180.0° | 179.9° |
| CE2 | NE1 | CD1 | CG | 0.2° | 0.1° |
| CE2 | NE1 | CD1 | HD1 | 179.8° | 180.0° |
| NE1 | CE2 | SEL | CZ2 | 179.7° | 180.0° |
| SEL | CE2 | NE1 | CD1 | 180.0° | 180.0° |
| SEL | CE2 | NE1 | HE1 | 0.0° | 0.0° |
| CE2 | SEL | CZ2 | CZ3 | 0.2° | 0.3° |
| CE2 | SEL | CZ2 | HZ2 | 179.8° | 180.0° |
| NE1 | CD1 | CG | HD1 | 180.0° | 180.0° |
| NE1 | CD1 | CG | CB | 179.7° | 180.0° |
| HE1 | NE1 | CD1 | CG | 179.8° | 180.0° |
| HE1 | NE1 | CD1 | HD1 | 0.2° | 0.0° |
| CD1 | CG | CB | CA | 105.8° | 95.0° |
| CD1 | CG | CB | HB1 | 14.2° | 25.0° |
| CD1 | CG | CB | HB2 | 140.8° | 145.0° |
| HD1 | CD1 | CG | CB | 0.3° | 0.0° |
| CG | CB | CA | HB1 | 120.0° | 119.9° |
| CG | CB | CA | HB2 | 113.4° | 120.0° |
| CG | CB | HB1 | HB2 | 114.7° | 120.0° |
| CG | CB | CA | N | 175.6° | 65.0° |
| CG | CB | CA | C | 65.8° | 175.0° |
| CG | CB | CA | HA | 50.4° | 55.0° |
| SEL | CZ2 | CZ3 | HZ2 | 180.0° | 179.7° |
| SEL | CZ2 | CZ3 | HZ3 | 179.9° | 179.9° |
| HZ2 | CZ2 | CZ3 | HZ3 | 0.2° | 0.4° |
| CA | CB | HB1 | HB2 | 114.6° | 120.1° |
| CB | CA | N | C | 123.7° | 120.0° |
| CB | CA | N | HA | 120.3° | 120.0° |
| CB | CA | C | HA | 120.7° | 120.0° |
| CB | CA | N | H | 178.2° | 60.0° |
| CB | CA | N | H2 | 61.8° | 64.0° |
| CB | CA | C | O | 98.4° | 100.0° |
| CB | CA | C | OXT | 40.2° | 80.0° |
| HB1 | CB | CA | N | 64.4° | 175.1° |
| HB1 | CB | CA | C | 54.2° | 55.1° |
| HB1 | CB | CA | HA | 170.4° | 64.9° |
| HB2 | CB | CA | N | 62.2° | 55.0° |
| HB2 | CB | CA | C | 179.2° | 65.0° |
| HB2 | CB | CA | HA | 63.1° | 175.0° |
| N | CA | C | HA | 125.4° | 120.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | O | 147.7° | 20.0° |
| N | CA | C | OXT | 154.1° | 160.0° |
| C | CA | N | H | 58.2° | 60.0° |
| C | CA | N | H2 | 61.8° | 176.1° |
| CA | C | O | OXT | 52.0° | 180.0° |
| CA | C | OXT | HXT | 90.0° | 179.9° |
| HA | CA | N | H | 57.9° | 180.0° |
| HA | CA | N | H2 | 177.9° | 56.1° |
| HA | CA | C | O | 22.3° | 140.0° |
| HA | CA | C | OXT | 80.4° | 40.0° |
| O | C | OXT | HXT | 90.0° | 0.1° |
