UXS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S06 | C07 | sing | 1.81Å | 1.81Å | |
| S06 | C05 | sing | 1.81Å | 1.87Å | |
| C04 | C05 | sing | 1.53Å | 1.46Å | |
| C04 | CA | sing | 1.53Å | 1.58Å | |
| O | C | sing | 1.43Å | 1.44Å | |
| C | CA | sing | 1.53Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.50Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | S06 | C05 | 101.0° | 103.0° |
| S06 | C07 | H7 | 109.5° | 109.5° |
| S06 | C07 | H8 | 109.4° | 109.5° |
| S06 | C07 | H9 | 109.5° | 109.4° |
| S06 | C05 | C04 | 108.8° | 109.4° |
| S06 | C05 | H5 | 109.6° | 109.5° |
| S06 | C05 | H6 | 109.6° | 109.5° |
| C05 | C04 | CA | 111.5° | 109.5° |
| C05 | C04 | H3 | 109.0° | 109.5° |
| C05 | C04 | H4 | 108.9° | 109.5° |
| C04 | C05 | H5 | 109.7° | 109.5° |
| C04 | C05 | H6 | 109.6° | 109.5° |
| C04 | CA | C | 108.0° | 109.5° |
| C04 | CA | N | 111.7° | 109.5° |
| C04 | CA | HA | 109.4° | 109.5° |
| CA | C04 | H3 | 109.0° | 109.5° |
| CA | C04 | H4 | 109.0° | 109.5° |
| O | C | CA | 101.8° | 109.4° |
| C | O | H1 | 109.5° | 114.0° |
| O | C | H13 | 111.4° | 109.5° |
| O | C | H14 | 111.4° | 109.5° |
| C | CA | N | 107.1° | 109.5° |
| C | CA | HA | 110.1° | 109.5° |
| CA | C | H13 | 111.4° | 109.5° |
| CA | C | H14 | 111.4° | 109.5° |
| N | CA | HA | 110.4° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| H3 | C04 | H4 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H7 | C07 | H9 | 109.5° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | S06 | C05 | C04 | 124.7° | 180.0° |
| C07 | S06 | C05 | H5 | 115.4° | 60.0° |
| C07 | S06 | C05 | H6 | 4.8° | 60.0° |
| S06 | C07 | H7 | H8 | 120.0° | 120.0° |
| S06 | C07 | H7 | H9 | 120.0° | 119.9° |
| S06 | C07 | H8 | H9 | 120.0° | 120.0° |
| S06 | C05 | C04 | H5 | 119.9° | 120.0° |
| S06 | C05 | C04 | H6 | 119.9° | 120.0° |
| S06 | C05 | C04 | CA | 179.6° | 180.0° |
| S06 | C05 | C04 | H3 | 60.1° | 60.0° |
| S06 | C05 | C04 | H4 | 59.3° | 60.0° |
| S06 | C05 | H5 | H6 | 120.3° | 120.0° |
| C05 | S06 | C07 | H7 | 180.0° | 180.0° |
| C05 | S06 | C07 | H8 | 60.0° | 60.0° |
| C05 | S06 | C07 | H9 | 60.0° | 60.0° |
| C05 | C04 | CA | H3 | 120.3° | 120.0° |
| C05 | C04 | CA | H4 | 120.3° | 120.0° |
| C05 | C04 | CA | C | 178.1° | 175.0° |
| C05 | C04 | CA | N | 64.3° | 65.0° |
| C05 | C04 | CA | HA | 58.3° | 55.0° |
| C05 | C04 | H3 | H4 | 119.1° | 120.0° |
| C04 | C05 | H5 | H6 | 120.3° | 120.0° |
| C04 | CA | C | O | 61.4° | 175.0° |
| C04 | CA | C | N | 120.5° | 120.1° |
| C04 | CA | C | HA | 119.5° | 120.0° |
| C04 | CA | N | HA | 122.0° | 120.0° |
| CA | C04 | H3 | H4 | 119.1° | 120.0° |
| CA | C04 | C05 | H5 | 59.7° | 60.0° |
| CA | C04 | C05 | H6 | 60.5° | 60.0° |
| C04 | CA | N | H | 180.0° | 60.0° |
| C04 | CA | N | H2 | 60.0° | 63.9° |
| C04 | CA | C | H13 | 179.8° | 65.0° |
| C04 | CA | C | H14 | 57.3° | 55.0° |
| O | C | CA | H13 | 118.7° | 119.9° |
| O | C | CA | H14 | 118.7° | 120.0° |
| O | C | CA | N | 178.1° | 64.9° |
| O | C | CA | HA | 58.0° | 55.0° |
| O | C | H13 | H14 | 123.6° | 120.0° |
| C | CA | N | HA | 119.9° | 120.0° |
| CA | C | O | H1 | 180.0° | 180.0° |
| C | CA | C04 | H3 | 57.9° | 65.1° |
| C | CA | C04 | H4 | 61.6° | 55.0° |
| C | CA | N | H | 61.8° | 60.0° |
| C | CA | N | H2 | 58.1° | 176.1° |
| CA | C | H13 | H14 | 123.6° | 120.0° |
| N | CA | C04 | H3 | 175.4° | 55.0° |
| N | CA | C04 | H4 | 56.0° | 175.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | H13 | 59.4° | 55.0° |
| N | CA | C | H14 | 63.2° | 175.0° |
| H1 | O | C | H13 | 61.3° | 60.1° |
| H1 | O | C | H14 | 61.2° | 60.0° |
| HA | CA | C04 | H3 | 62.0° | 175.0° |
| HA | CA | C04 | H4 | 178.5° | 65.0° |
| HA | CA | N | H | 58.0° | 180.0° |
| HA | CA | N | H2 | 178.0° | 56.1° |
| HA | CA | C | H13 | 60.7° | 175.0° |
| HA | CA | C | H14 | 176.8° | 65.0° |
| H3 | C04 | C05 | H5 | 179.9° | 180.0° |
| H3 | C04 | C05 | H6 | 59.7° | 60.0° |
| H4 | C04 | C05 | H5 | 60.6° | 60.0° |
| H4 | C04 | C05 | H6 | 179.2° | 180.0° |
| H7 | C07 | H8 | H9 | 120.0° | 120.0° |
