CYD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | SG | sing | 1.81Å | 1.80Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| SG | C1 | sing | 1.81Å | 1.81Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| N1 | C5 | sing | 1.47Å | 1.49Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.28Å | |
| C6 | OT3 | sing | 1.34Å | 1.26Å | |
| C6 | OT4 | doub | 1.21Å | 1.26Å | |
| OT3 | HT3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | CB | 105.8° | 109.5° |
| N | CA | C | 109.6° | 109.5° |
| N | CA | HA | 112.0° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | C | 110.0° | 109.5° |
| CB | CA | HA | 111.6° | 109.5° |
| CA | CB | SG | 131.5° | 109.5° |
| CA | CB | HB2 | 102.7° | 109.5° |
| CA | CB | HB3 | 97.6° | 109.5° |
| C | CA | HA | 107.9° | 109.4° |
| CA | C | O | 119.6° | 120.0° |
| CA | C | OXT | 118.8° | 120.0° |
| SG | CB | HB2 | 102.7° | 109.5° |
| SG | CB | HB3 | 97.6° | 109.4° |
| CB | SG | C1 | 105.8° | 103.0° |
| HB2 | CB | HB3 | 128.9° | 109.5° |
| SG | C1 | C2 | 112.6° | 109.5° |
| SG | C1 | H11 | 108.4° | 109.5° |
| SG | C1 | H12 | 107.7° | 109.5° |
| O | C | OXT | 121.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C2 | C1 | H11 | 108.4° | 109.5° |
| C2 | C1 | H12 | 107.7° | 109.5° |
| C1 | C2 | C3 | 117.6° | 120.0° |
| C1 | C2 | O1 | 123.4° | 120.0° |
| H11 | C1 | H12 | 111.9° | 109.5° |
| C5 | N1 | HN11 | 109.5° | 111.0° |
| C5 | N1 | HN12 | 109.5° | 111.0° |
| N1 | C5 | C4 | 112.1° | 109.5° |
| N1 | C5 | C6 | 110.3° | 109.5° |
| N1 | C5 | H5 | 106.6° | 109.4° |
| HN11 | N1 | HN12 | 109.5° | 111.0° |
| C4 | C5 | C6 | 107.8° | 109.5° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| C5 | C4 | C3 | 116.7° | 109.5° |
| C5 | C4 | H41 | 107.2° | 109.5° |
| C5 | C4 | H42 | 105.5° | 109.5° |
| C6 | C5 | H5 | 111.0° | 109.5° |
| C5 | C6 | OT3 | 116.4° | 120.0° |
| C5 | C6 | OT4 | 118.1° | 120.0° |
| C3 | C4 | H41 | 107.1° | 109.5° |
| C3 | C4 | H42 | 105.5° | 109.4° |
| C4 | C3 | C2 | 112.6° | 109.5° |
| C4 | C3 | H31 | 108.5° | 109.5° |
| C4 | C3 | H32 | 107.8° | 109.4° |
| H41 | C4 | H42 | 115.3° | 109.4° |
| C2 | C3 | H31 | 108.4° | 109.5° |
| C2 | C3 | H32 | 107.7° | 109.4° |
| C3 | C2 | O1 | 118.9° | 120.0° |
| H31 | C3 | H32 | 111.9° | 109.5° |
| OT3 | C6 | OT4 | 125.4° | 120.0° |
| C6 | OT3 | HT3 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | C | 118.2° | 120.0° |
| N | CA | CB | HA | 122.0° | 120.0° |
| N | CA | C | HA | 122.2° | 120.0° |
| N | CA | CB | SG | 147.6° | 60.0° |
| N | CA | CB | HB2 | 27.6° | 60.0° |
| N | CA | CB | HB3 | 105.2° | 179.9° |
| N | CA | C | O | 84.5° | 20.0° |
| N | CA | C | OXT | 99.0° | 160.0° |
| H | N | CA | CB | 19.3° | 176.1° |
| H | N | CA | C | 137.8° | 63.9° |
| H | N | CA | HA | 102.4° | 56.0° |
| H2 | N | CA | CB | 139.3° | 60.0° |
| H2 | N | CA | C | 102.2° | 60.0° |
| H2 | N | CA | HA | 17.6° | 180.0° |
| CB | CA | C | HA | 121.9° | 120.0° |
| CA | CB | SG | HB2 | 120.0° | 120.0° |
| CA | CB | SG | HB3 | 107.2° | 120.0° |
| CA | CB | HB2 | HB3 | 110.8° | 120.0° |
| CA | CB | SG | C1 | 54.6° | 180.0° |
| CB | CA | C | O | 159.6° | 100.0° |
| CB | CA | C | OXT | 16.9° | 80.0° |
| C | CA | CB | SG | 94.1° | 180.0° |
| C | CA | CB | HB2 | 145.9° | 60.0° |
| C | CA | CB | HB3 | 13.0° | 60.0° |
| CA | C | O | OXT | 176.4° | 180.0° |
| CA | C | OXT | HXT | 176.5° | 180.0° |
| HA | CA | CB | SG | 25.6° | 60.0° |
| HA | CA | CB | HB2 | 94.4° | 180.0° |
| HA | CA | CB | HB3 | 132.8° | 59.9° |
| HA | CA | C | O | 37.7° | 140.0° |
| HA | CA | C | OXT | 138.8° | 40.0° |
| SG | CB | HB2 | HB3 | 110.9° | 119.9° |
| CB | SG | C1 | C2 | 125.7° | 180.0° |
| CB | SG | C1 | H11 | 5.7° | 59.9° |
| CB | SG | C1 | H12 | 115.7° | 60.0° |
| HB2 | CB | SG | C1 | 174.5° | 59.9° |
| HB3 | CB | SG | C1 | 52.6° | 60.0° |
| SG | C1 | C2 | H11 | 120.0° | 120.0° |
| SG | C1 | C2 | H12 | 118.7° | 120.0° |
| SG | C1 | H11 | H12 | 118.7° | 120.0° |
| SG | C1 | C2 | C3 | 154.8° | 180.0° |
| SG | C1 | C2 | O1 | 22.2° | 0.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C2 | C1 | H11 | H12 | 118.7° | 120.0° |
| C1 | C2 | C3 | C4 | 61.8° | 180.0° |
| C1 | C2 | C3 | O1 | 177.2° | 180.0° |
| C1 | C2 | C3 | H31 | 58.2° | 60.0° |
| C1 | C2 | C3 | H32 | 179.6° | 60.0° |
| H11 | C1 | C2 | C3 | 34.8° | 60.0° |
| H11 | C1 | C2 | O1 | 142.2° | 120.0° |
| H12 | C1 | C2 | C3 | 86.5° | 60.0° |
| H12 | C1 | C2 | O1 | 96.5° | 120.0° |
| C5 | N1 | HN11 | HN12 | 120.0° | 124.0° |
| N1 | C5 | C4 | C6 | 121.5° | 120.0° |
| N1 | C5 | C4 | H5 | 117.8° | 120.0° |
| N1 | C5 | C6 | H5 | 117.9° | 119.9° |
| N1 | C5 | C4 | C3 | 10.2° | 65.0° |
| N1 | C5 | C4 | H41 | 109.8° | 55.0° |
| N1 | C5 | C4 | H42 | 126.8° | 175.0° |
| N1 | C5 | C6 | OT3 | 178.4° | 160.0° |
| N1 | C5 | C6 | OT4 | 0.1° | 20.0° |
| HN11 | N1 | C5 | C4 | 34.2° | 176.0° |
| HN11 | N1 | C5 | C6 | 85.9° | 64.0° |
| HN11 | N1 | C5 | H5 | 153.6° | 56.0° |
| HN12 | N1 | C5 | C4 | 85.8° | 60.0° |
| HN12 | N1 | C5 | C6 | 154.1° | 60.0° |
| HN12 | N1 | C5 | H5 | 33.5° | 180.0° |
| C4 | C5 | C6 | H5 | 119.5° | 120.1° |
| C5 | C4 | C3 | H41 | 120.0° | 120.0° |
| C5 | C4 | C3 | H42 | 116.7° | 120.0° |
| C5 | C4 | H41 | H42 | 117.1° | 120.0° |
| C5 | C4 | C3 | C2 | 126.4° | 180.0° |
| C5 | C4 | C3 | H31 | 113.7° | 59.9° |
| C5 | C4 | C3 | H32 | 7.7° | 60.0° |
| C4 | C5 | C6 | OT3 | 59.0° | 80.0° |
| C4 | C5 | C6 | OT4 | 122.6° | 100.0° |
| C6 | C5 | C4 | C3 | 131.7° | 175.0° |
| C6 | C5 | C4 | H41 | 11.7° | 65.0° |
| C6 | C5 | C4 | H42 | 111.6° | 55.0° |
| C5 | C6 | OT3 | OT4 | 178.3° | 180.0° |
| C5 | C6 | OT3 | HT3 | 178.3° | 180.0° |
| H5 | C5 | C4 | C3 | 107.7° | 54.9° |
| H5 | C5 | C4 | H41 | 132.3° | 175.0° |
| H5 | C5 | C4 | H42 | 9.0° | 65.1° |
| H5 | C5 | C6 | OT3 | 60.5° | 40.1° |
| H5 | C5 | C6 | OT4 | 117.9° | 139.9° |
| C3 | C4 | H41 | H42 | 117.0° | 120.0° |
| C4 | C3 | C2 | H31 | 120.0° | 120.0° |
| C4 | C3 | C2 | H32 | 118.7° | 120.0° |
| C4 | C3 | H31 | H32 | 118.7° | 119.9° |
| C4 | C3 | C2 | O1 | 121.1° | 0.0° |
| H41 | C4 | C3 | C2 | 6.3° | 59.9° |
| H41 | C4 | C3 | H31 | 126.3° | 180.0° |
| H41 | C4 | C3 | H32 | 112.3° | 60.0° |
| H42 | C4 | C3 | C2 | 116.9° | 60.0° |
| H42 | C4 | C3 | H31 | 3.0° | 60.1° |
| H42 | C4 | C3 | H32 | 124.4° | 180.0° |
| C2 | C3 | H31 | H32 | 118.7° | 120.0° |
| H31 | C3 | C2 | O1 | 118.9° | 120.0° |
| H32 | C3 | C2 | O1 | 2.4° | 120.0° |
| OT4 | C6 | OT3 | HT3 | 0.0° | 0.1° |
