3WS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| N | CA | sing | 1.47Å | 1.52Å | |
| N | C38 | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C37 | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| C37 | H7 | sing | 1.09Å | 1.10Å | |
| C37 | H8 | sing | 1.09Å | 1.10Å | |
| C37 | H9 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C38 | H57 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.6° | 120.0° |
| O | C | OXT | 123.0° | 120.0° |
| C | CA | N | 106.2° | 109.5° |
| C | CA | CB | 108.5° | 109.4° |
| C | CA | C37 | 108.3° | 109.5° |
| CA | C | OXT | 116.4° | 120.0° |
| CA | N | C38 | 119.3° | 111.0° |
| N | CA | CB | 112.6° | 109.5° |
| N | CA | C37 | 111.0° | 109.5° |
| CA | N | H | 107.0° | 111.0° |
| C38 | N | H | 107.0° | 111.0° |
| N | C38 | H55 | 109.5° | 109.4° |
| N | C38 | H56 | 109.5° | 109.5° |
| N | C38 | H57 | 109.5° | 109.5° |
| CB | CA | C37 | 110.1° | 109.5° |
| CA | CB | HB1 | 109.5° | 109.5° |
| CA | CB | HB2 | 109.4° | 109.5° |
| CA | CB | HB3 | 109.5° | 109.5° |
| CA | C37 | H7 | 109.5° | 109.5° |
| CA | C37 | H8 | 109.5° | 109.5° |
| CA | C37 | H9 | 109.5° | 109.4° |
| HB1 | CB | HB2 | 109.5° | 109.4° |
| HB1 | CB | HB3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H7 | C37 | H8 | 109.4° | 109.5° |
| H7 | C37 | H9 | 109.5° | 109.5° |
| H8 | C37 | H9 | 109.5° | 109.5° |
| H55 | C38 | H56 | 109.5° | 109.4° |
| H55 | C38 | H57 | 109.5° | 109.5° |
| H56 | C38 | H57 | 109.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.7° | 180.0° |
| O | C | CA | N | 10.9° | 144.9° |
| O | C | CA | CB | 132.3° | 25.0° |
| O | C | CA | C37 | 108.3° | 95.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 118.7° | 120.0° |
| C | CA | N | C37 | 117.5° | 120.0° |
| C | CA | N | C38 | 178.9° | 180.0° |
| C | CA | CB | C37 | 118.3° | 120.0° |
| C | CA | CB | HB1 | 180.0° | 60.1° |
| C | CA | CB | HB2 | 60.0° | 180.0° |
| C | CA | CB | HB3 | 60.0° | 60.0° |
| C | CA | C37 | H7 | 180.0° | 60.0° |
| C | CA | C37 | H8 | 60.0° | 180.0° |
| C | CA | C37 | H9 | 60.0° | 60.0° |
| C | CA | N | H | 59.7° | 56.1° |
| CA | C | OXT | HXT | 179.8° | 179.9° |
| CA | N | C38 | H | 121.4° | 124.0° |
| N | CA | CB | C37 | 124.4° | 120.1° |
| N | CA | CB | HB1 | 62.7° | 59.9° |
| N | CA | CB | HB2 | 57.3° | 60.0° |
| N | CA | CB | HB3 | 177.3° | 180.0° |
| N | CA | C37 | H7 | 63.8° | 180.0° |
| N | CA | C37 | H8 | 176.2° | 60.0° |
| N | CA | C37 | H9 | 56.2° | 60.0° |
| CA | N | C38 | H55 | 180.0° | 60.0° |
| CA | N | C38 | H56 | 60.0° | 180.0° |
| CA | N | C38 | H57 | 60.0° | 60.0° |
| N | CA | C | OXT | 169.3° | 35.0° |
| C38 | N | CA | CB | 60.3° | 60.1° |
| C38 | N | CA | C37 | 63.6° | 60.0° |
| N | C38 | H55 | H56 | 120.0° | 119.9° |
| N | C38 | H55 | H57 | 120.0° | 120.1° |
| N | C38 | H56 | H57 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB3 | 120.0° | 120.1° |
| CA | CB | HB2 | HB3 | 120.0° | 120.0° |
| CB | CA | C37 | H7 | 61.5° | 60.0° |
| CB | CA | C37 | H8 | 58.5° | 60.0° |
| CB | CA | C37 | H9 | 178.4° | 180.0° |
| CB | CA | N | H | 178.3° | 63.9° |
| CB | CA | C | OXT | 48.0° | 155.0° |
| C37 | CA | CB | HB1 | 61.7° | 180.0° |
| C37 | CA | CB | HB2 | 178.3° | 60.0° |
| C37 | CA | CB | HB3 | 58.3° | 60.0° |
| CA | C37 | H7 | H8 | 120.0° | 120.0° |
| CA | C37 | H7 | H9 | 120.1° | 119.9° |
| CA | C37 | H8 | H9 | 120.0° | 119.9° |
| C37 | CA | N | H | 57.8° | 176.1° |
| C37 | CA | C | OXT | 71.5° | 85.0° |
| HB1 | CB | HB2 | HB3 | 120.0° | 119.9° |
| H7 | C37 | H8 | H9 | 120.0° | 120.0° |
| H | N | C38 | H55 | 58.6° | 63.9° |
| H | N | C38 | H56 | 178.6° | 56.0° |
| H | N | C38 | H57 | 61.4° | 176.0° |
| H55 | C38 | H56 | H57 | 120.0° | 120.0° |
