81S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.36Å | |
| SD2 | CG | sing | 1.81Å | 1.70Å | |
| CG | CB | sing | 1.53Å | 1.48Å | |
| CG | CD1 | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.46Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CD1 | SE | sing | 1.81Å | 1.68Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CD1 | H8 | sing | 1.09Å | 1.10Å | |
| CD1 | H9 | sing | 1.09Å | 1.10Å | |
| SE | H10 | sing | 1.35Å | 1.30Å | |
| SD2 | H11 | sing | 1.34Å | 1.30Å | |
| C | OXT | sing | 1.34Å | 37.32Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 121.6° | 120.1° |
| O | C | OXT | 127.2° | 120.0° |
| C | CA | CB | 108.1° | 109.5° |
| C | CA | N | 101.7° | 109.4° |
| C | CA | HA | 112.8° | 109.5° |
| CA | C | OXT | 65.9° | 120.0° |
| SD2 | CG | CB | 109.6° | 109.5° |
| SD2 | CG | CD1 | 113.9° | 109.5° |
| SD2 | CG | H7 | 106.3° | 109.5° |
| CG | SD2 | H11 | 102.0° | 103.0° |
| CB | CG | CD1 | 110.0° | 109.5° |
| CG | CB | CA | 118.0° | 109.5° |
| CG | CB | H5 | 107.3° | 109.5° |
| CG | CB | H6 | 107.3° | 109.5° |
| CB | CG | H7 | 108.8° | 109.5° |
| CG | CD1 | SE | 116.8° | 109.5° |
| CD1 | CG | H7 | 108.0° | 109.5° |
| CG | CD1 | H8 | 107.6° | 109.5° |
| CG | CD1 | H9 | 107.6° | 109.5° |
| CB | CA | N | 111.5° | 109.5° |
| CB | CA | HA | 111.2° | 109.5° |
| CA | CB | H5 | 107.3° | 109.5° |
| CA | CB | H6 | 107.3° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 111.0° | 109.5° |
| SE | CD1 | H8 | 107.6° | 109.5° |
| SE | CD1 | H9 | 107.6° | 109.5° |
| CD1 | SE | H10 | 102.0° | 103.0° |
| H | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H8 | CD1 | H9 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 120.2° | 180.0° |
| O | C | CA | CB | 76.4° | 100.0° |
| O | C | CA | N | 41.2° | 20.0° |
| O | C | CA | HA | 160.2° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C | CA | CB | CG | 68.9° | 175.1° |
| C | CA | CB | N | 111.1° | 120.0° |
| C | CA | CB | HA | 124.4° | 120.0° |
| C | CA | N | HA | 120.2° | 120.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.1° |
| C | CA | CB | H5 | 52.3° | 65.0° |
| C | CA | CB | H6 | 169.9° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| SD2 | CG | CB | CD1 | 126.0° | 120.0° |
| SD2 | CG | CB | H7 | 115.9° | 120.1° |
| SD2 | CG | CD1 | H7 | 117.9° | 120.0° |
| SD2 | CG | CB | CA | 165.9° | 65.0° |
| SD2 | CG | CD1 | SE | 70.1° | 60.0° |
| SD2 | CG | CB | H5 | 44.7° | 174.9° |
| SD2 | CG | CB | H6 | 72.9° | 55.0° |
| SD2 | CG | CD1 | H8 | 168.8° | 180.0° |
| SD2 | CG | CD1 | H9 | 50.9° | 60.0° |
| CB | CG | CD1 | H7 | 118.6° | 120.0° |
| CG | CB | CA | H5 | 121.2° | 120.0° |
| CG | CB | CA | H6 | 121.2° | 120.0° |
| CG | CB | CA | N | 180.0° | 65.0° |
| CB | CG | CD1 | SE | 166.4° | 180.0° |
| CG | CB | CA | HA | 55.5° | 55.0° |
| CG | CB | H5 | H6 | 116.1° | 120.0° |
| CB | CG | CD1 | H8 | 45.3° | 60.0° |
| CB | CG | CD1 | H9 | 72.5° | 60.0° |
| CB | CG | SD2 | H11 | 180.0° | 60.0° |
| CD1 | CG | CB | CA | 68.2° | 175.0° |
| CG | CD1 | SE | H8 | 121.0° | 120.0° |
| CG | CD1 | SE | H9 | 121.1° | 120.0° |
| CD1 | CG | CB | H5 | 170.6° | 55.0° |
| CD1 | CG | CB | H6 | 53.1° | 65.0° |
| CG | CD1 | H8 | H9 | 116.7° | 120.0° |
| CG | CD1 | SE | H10 | 180.0° | 180.0° |
| CD1 | CG | SD2 | H11 | 56.3° | 60.0° |
| CB | CA | N | HA | 124.7° | 120.0° |
| CB | CA | N | H | 64.9° | 60.0° |
| CB | CA | N | H2 | 175.1° | 63.9° |
| CA | CB | H5 | H6 | 116.1° | 120.0° |
| CA | CB | CG | H7 | 50.0° | 55.0° |
| CB | CA | C | OXT | 43.8° | 80.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 58.7° | 55.0° |
| N | CA | CB | H6 | 58.8° | 175.0° |
| N | CA | C | OXT | 161.4° | 160.0° |
| SE | CD1 | CG | H7 | 47.8° | 60.0° |
| SE | CD1 | H8 | H9 | 116.7° | 120.0° |
| H | N | CA | HA | 59.8° | 180.0° |
| H2 | N | CA | HA | 60.2° | 56.1° |
| HA | CA | CB | H5 | 176.7° | 175.0° |
| HA | CA | CB | H6 | 65.7° | 65.0° |
| HA | CA | C | OXT | 79.6° | 40.0° |
| H5 | CB | CG | H7 | 71.2° | 65.0° |
| H6 | CB | CG | H7 | 171.2° | 175.0° |
| H7 | CG | CD1 | H8 | 73.3° | 60.0° |
| H7 | CG | CD1 | H9 | 168.8° | 180.0° |
| H7 | CG | SD2 | H11 | 62.6° | 180.0° |
| H8 | CD1 | SE | H10 | 59.0° | 59.9° |
| H9 | CD1 | SE | H10 | 58.9° | 60.0° |
