J3D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C05 | doub | 1.22Å | 1.28Å | |
| O07 | C05 | sing | 1.35Å | 1.25Å | |
| C05 | N | sing | 1.35Å | 1.48Å | |
| N | CA | sing | 1.46Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | C01 | sing | 1.53Å | 1.55Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| S02 | C01 | sing | 1.81Å | 1.85Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| S02 | H021 | sing | 1.35Å | 1.30Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| O07 | H1 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C05 | O07 | 120.1° | 120.0° |
| O06 | C05 | N | 119.4° | 120.0° |
| O07 | C05 | N | 120.5° | 120.0° |
| C05 | O07 | H1 | 109.5° | 117.0° |
| C05 | N | CA | 123.3° | 120.0° |
| C05 | N | H | 118.4° | 120.0° |
| N | CA | C | 107.8° | 109.5° |
| N | CA | C01 | 113.5° | 109.5° |
| N | CA | HA | 110.4° | 109.5° |
| CA | N | H | 118.3° | 120.0° |
| C | CA | C01 | 105.7° | 109.5° |
| CA | C | O | 122.5° | 120.0° |
| CA | C | OXT | 118.4° | 120.0° |
| C | CA | HA | 109.8° | 109.4° |
| CA | C01 | S02 | 120.1° | 109.5° |
| CA | C01 | H011 | 106.8° | 109.5° |
| CA | C01 | H012 | 106.8° | 109.5° |
| C01 | CA | HA | 109.5° | 109.4° |
| O | C | OXT | 119.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| S02 | C01 | H011 | 106.7° | 109.5° |
| S02 | C01 | H012 | 106.8° | 109.4° |
| C01 | S02 | H021 | 102.0° | 103.0° |
| H011 | C01 | H012 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C05 | O07 | N | 179.9° | 179.9° |
| O06 | C05 | N | CA | 175.0° | 0.0° |
| O06 | C05 | N | H | 5.0° | 179.9° |
| O06 | C05 | O07 | H1 | 0.0° | 0.1° |
| O07 | C05 | N | CA | 5.0° | 179.9° |
| O07 | C05 | N | H | 175.0° | 0.0° |
| C05 | N | CA | H | 180.0° | 179.9° |
| C05 | N | CA | C | 48.9° | 155.0° |
| C05 | N | CA | C01 | 165.7° | 85.0° |
| C05 | N | CA | HA | 71.0° | 35.0° |
| N | C05 | O07 | H1 | 179.9° | 180.0° |
| N | CA | C | C01 | 121.7° | 120.0° |
| N | CA | C | HA | 120.3° | 120.0° |
| N | CA | C01 | HA | 123.8° | 120.0° |
| N | CA | C | O | 122.1° | 0.0° |
| N | CA | C | OXT | 56.5° | 180.0° |
| N | CA | C01 | S02 | 116.5° | 60.0° |
| N | CA | C01 | H011 | 5.0° | 180.0° |
| N | CA | C01 | H012 | 122.0° | 60.0° |
| C | CA | C01 | HA | 118.2° | 119.9° |
| CA | C | O | OXT | 178.6° | 180.0° |
| C | CA | C01 | S02 | 125.5° | 180.0° |
| C | CA | C01 | H011 | 113.0° | 60.0° |
| C | CA | C01 | H012 | 4.0° | 60.0° |
| C | CA | N | H | 131.1° | 24.9° |
| CA | C | OXT | HXT | 178.7° | 179.9° |
| C01 | CA | C | O | 116.1° | 120.0° |
| C01 | CA | C | OXT | 65.2° | 60.0° |
| CA | C01 | S02 | H011 | 121.5° | 120.0° |
| CA | C01 | S02 | H012 | 121.5° | 120.0° |
| CA | C01 | H011 | H012 | 115.2° | 120.0° |
| CA | C01 | S02 | H021 | 180.0° | 180.0° |
| C01 | CA | N | H | 14.3° | 95.1° |
| O | C | CA | HA | 1.8° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 176.8° | 60.0° |
| S02 | C01 | H011 | H012 | 115.2° | 120.0° |
| S02 | C01 | CA | HA | 7.4° | 60.0° |
| H011 | C01 | S02 | H021 | 58.5° | 60.0° |
| H011 | C01 | CA | HA | 128.8° | 60.0° |
| H012 | C01 | S02 | H021 | 58.5° | 60.0° |
| H012 | C01 | CA | HA | 114.2° | 180.0° |
| HA | CA | N | H | 109.0° | 144.9° |
