EVH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | S | sing | 1.76Å | 1.70Å | |
| NH | S | sing | 1.66Å | 1.57Å | |
| O1 | S | doub | 1.42Å | 1.48Å | |
| S | O2 | doub | 1.42Å | 1.42Å | |
| C5 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.35Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| NH | HNH | sing | 0.97Å | 1.00Å | |
| NH | HNHA | sing | 0.97Å | 1.00Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | S | NH | 105.3° | 107.2° |
| C2 | S | O1 | 103.8° | 106.4° |
| C2 | S | O2 | 107.2° | 106.4° |
| S | C2 | N1 | 125.4° | 125.7° |
| S | C2 | N3 | 126.1° | 125.6° |
| NH | S | O1 | 111.9° | 106.4° |
| NH | S | O2 | 110.2° | 106.4° |
| S | NH | HNH | 109.5° | 120.0° |
| S | NH | HNHA | 109.4° | 120.0° |
| O1 | S | O2 | 117.4° | 123.1° |
| C5 | N1 | C2 | 107.2° | 107.2° |
| N1 | C5 | C4 | 108.5° | 106.8° |
| N1 | C5 | H5 | 125.8° | 126.6° |
| C5 | N1 | HN1 | 126.4° | 126.3° |
| N1 | C2 | N3 | 108.4° | 108.7° |
| C2 | N1 | HN1 | 126.4° | 126.4° |
| C2 | N3 | C4 | 109.0° | 109.3° |
| N3 | C4 | C5 | 106.7° | 108.1° |
| N3 | C4 | H4 | 126.6° | 125.9° |
| C5 | C4 | H4 | 126.7° | 126.0° |
| C4 | C5 | H5 | 125.7° | 126.6° |
| HNH | NH | HNHA | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | S | NH | O1 | 112.1° | 113.5° |
| C2 | S | NH | O2 | 115.3° | 113.5° |
| C2 | S | O1 | O2 | 118.0° | 122.9° |
| S | C2 | N1 | C5 | 179.6° | 179.8° |
| S | C2 | N1 | N3 | 178.0° | 179.9° |
| S | C2 | N3 | C4 | 178.2° | 180.0° |
| C2 | S | NH | HNH | 180.0° | 90.0° |
| C2 | S | NH | HNHA | 60.0° | 90.0° |
| S | C2 | N1 | HN1 | 0.5° | 0.1° |
| NH | S | O1 | O2 | 129.0° | 123.0° |
| NH | S | C2 | N1 | 48.7° | 150.0° |
| NH | S | C2 | N3 | 133.6° | 30.1° |
| S | NH | HNH | HNHA | 120.0° | 180.0° |
| O1 | S | C2 | N1 | 166.5° | 36.5° |
| O1 | S | C2 | N3 | 15.9° | 143.7° |
| O1 | S | NH | HNH | 67.9° | 23.6° |
| O1 | S | NH | HNHA | 52.1° | 156.5° |
| O2 | S | C2 | N1 | 68.6° | 96.4° |
| O2 | S | C2 | N3 | 109.0° | 83.5° |
| O2 | S | NH | HNH | 64.7° | 156.5° |
| O2 | S | NH | HNHA | 175.3° | 23.6° |
| C5 | N1 | C2 | HN1 | 180.0° | 179.6° |
| C5 | N1 | C2 | N3 | 2.5° | 0.3° |
| N1 | C5 | C4 | N3 | 2.0° | 0.5° |
| N1 | C5 | C4 | H5 | 180.0° | 179.5° |
| N1 | C5 | C4 | H4 | 178.0° | 179.8° |
| N1 | C2 | N3 | C4 | 3.8° | 0.1° |
| C2 | N1 | C5 | C4 | 0.2° | 0.5° |
| C2 | N1 | C5 | H5 | 179.8° | 180.0° |
| C2 | N3 | C4 | C5 | 3.6° | 0.3° |
| C2 | N3 | C4 | H4 | 176.4° | 180.0° |
| N3 | C2 | N1 | HN1 | 177.5° | 180.0° |
| N3 | C4 | C5 | H4 | 180.0° | 179.7° |
| N3 | C4 | C5 | H5 | 178.0° | 180.0° |
| C4 | C5 | N1 | HN1 | 179.7° | 179.9° |
| H4 | C4 | C5 | H5 | 2.0° | 0.3° |
| H5 | C5 | N1 | HN1 | 0.3° | 0.3° |
