SUN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.44Å | 1.42Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.00Å | 1.02Å | |
| CA | CB | sing | 1.52Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.10Å | 1.11Å | |
| CB | OG | sing | 1.42Å | 1.39Å | |
| CB | HBC1 | sing | 1.09Å | 1.11Å | |
| CB | HBC2 | sing | 1.10Å | 1.11Å | |
| OG | P1 | sing | 1.63Å | 1.87Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | OXT | sing | 1.36Å | 1.33Å | |
| O1 | P1 | doub | 1.51Å | 1.43Å | |
| P1 | N1 | sing | 1.67Å | 1.46Å | |
| P1 | O2 | sing | 1.63Å | 1.44Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| N1 | C1 | sing | 1.46Å | 1.43Å | |
| C2 | H2C1 | sing | 1.09Å | 1.11Å | |
| C2 | H2C2 | sing | 1.09Å | 1.11Å | |
| C2 | H2C3 | sing | 1.09Å | 1.12Å | |
| C1 | H1C1 | sing | 1.09Å | 1.12Å | |
| C1 | H1C2 | sing | 1.09Å | 1.11Å | |
| C1 | H1C3 | sing | 1.09Å | 1.12Å | |
| O2 | C3 | sing | 1.42Å | 1.43Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H3C1 | sing | 1.09Å | 1.11Å | |
| C3 | H3C2 | sing | 1.09Å | 1.12Å | |
| C4 | H4C1 | sing | 1.09Å | 1.11Å | |
| C4 | H4C2 | sing | 1.09Å | 1.12Å | |
| C4 | H4C3 | sing | 1.09Å | 1.12Å | |
| OXT | HOT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 112.9° | 118.9° |
| CA | N | HN2 | 107.7° | 119.0° |
| N | CA | CB | 107.7° | 111.6° |
| N | CA | C | 111.9° | 107.4° |
| N | CA | HA | 110.2° | 105.4° |
| HN1 | N | HN2 | 112.9° | 120.7° |
| CB | CA | C | 112.9° | 110.6° |
| CB | CA | HA | 109.2° | 111.7° |
| CA | CB | OG | 106.5° | 109.1° |
| CA | CB | HBC1 | 113.3° | 111.0° |
| CA | CB | HBC2 | 113.3° | 111.6° |
| C | CA | HA | 104.8° | 110.0° |
| CA | C | O | 119.5° | 125.2° |
| CA | C | OXT | 118.5° | 111.9° |
| OG | CB | HBC1 | 113.3° | 107.8° |
| OG | CB | HBC2 | 113.3° | 108.7° |
| CB | OG | P1 | 111.7° | 118.8° |
| HBC1 | CB | HBC2 | 97.2° | 108.5° |
| OG | P1 | O1 | 103.7° | 112.0° |
| OG | P1 | N1 | 82.7° | 106.9° |
| OG | P1 | O2 | 133.6° | 101.8° |
| O | C | OXT | 122.0° | 122.9° |
| C | OXT | HOT | 118.5° | 115.3° |
| O1 | P1 | N1 | 108.3° | 116.1° |
| O1 | P1 | O2 | 112.0° | 111.2° |
| N1 | P1 | O2 | 111.6° | 107.8° |
| P1 | N1 | C2 | 122.6° | 117.1° |
| P1 | N1 | C1 | 119.4° | 116.9° |
| P1 | O2 | C3 | 115.4° | 120.3° |
| C2 | N1 | C1 | 117.9° | 109.0° |
| N1 | C2 | H2C1 | 107.5° | 110.1° |
| N1 | C2 | H2C2 | 107.5° | 110.2° |
| N1 | C2 | H2C3 | 122.6° | 110.2° |
| N1 | C1 | H1C1 | 108.6° | 110.1° |
| N1 | C1 | H1C2 | 108.6° | 110.2° |
| N1 | C1 | H1C3 | 119.4° | 110.3° |
| H2C1 | C2 | H2C2 | 102.3° | 108.8° |
| H2C1 | C2 | H2C3 | 107.5° | 108.8° |
| H2C2 | C2 | H2C3 | 107.5° | 108.7° |
| H1C1 | C1 | H1C2 | 101.4° | 108.7° |
| H1C1 | C1 | H1C3 | 108.6° | 108.8° |
| H1C2 | C1 | H1C3 | 108.6° | 108.7° |
| O2 | C3 | C4 | 110.3° | 109.0° |
| O2 | C3 | H3C1 | 111.9° | 108.8° |
| O2 | C3 | H3C2 | 111.9° | 108.8° |
| C4 | C3 | H3C1 | 111.9° | 110.6° |
| C4 | C3 | H3C2 | 111.9° | 110.5° |
| C3 | C4 | H4C1 | 111.9° | 110.9° |
| C3 | C4 | H4C2 | 111.9° | 110.7° |
| C3 | C4 | H4C3 | 110.3° | 110.6° |
| H3C1 | C3 | H3C2 | 98.5° | 109.1° |
| H4C1 | C4 | H4C2 | 98.5° | 108.8° |
| H4C1 | C4 | H4C3 | 111.9° | 108.8° |
| H4C2 | C4 | H4C3 | 111.9° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 122.4° | 166.4° |
| N | CA | CB | C | 124.1° | 119.5° |
| N | CA | CB | HA | 119.7° | 117.7° |
| N | CA | C | HA | 119.5° | 114.2° |
| N | CA | CB | OG | 165.8° | 178.2° |
| N | CA | CB | HBC1 | 69.0° | 59.5° |
| N | CA | CB | HBC2 | 40.5° | 61.6° |
| N | CA | C | O | 65.4° | 35.9° |
| N | CA | C | OXT | 114.9° | 146.4° |
| HN1 | N | CA | CB | 54.8° | 166.1° |
| HN1 | N | CA | C | 179.4° | 72.6° |
| HN1 | N | CA | HA | 64.4° | 44.7° |
| HN2 | N | CA | CB | 180.0° | 0.5° |
| HN2 | N | CA | C | 55.3° | 120.8° |
| HN2 | N | CA | HA | 60.9° | 121.9° |
| CB | CA | C | HA | 118.8° | 123.8° |
| CA | CB | OG | HBC1 | 125.2° | 120.7° |
| CA | CB | OG | HBC2 | 125.2° | 121.9° |
| CA | CB | HBC1 | HBC2 | 119.2° | 123.0° |
| CA | CB | OG | P1 | 149.3° | 180.0° |
| CB | CA | C | O | 172.8° | 86.1° |
| CB | CA | C | OXT | 6.8° | 91.6° |
| C | CA | CB | OG | 70.2° | 58.7° |
| C | CA | CB | HBC1 | 55.1° | 60.0° |
| C | CA | CB | HBC2 | 164.6° | 178.9° |
| CA | C | O | OXT | 179.6° | 177.5° |
| CA | C | OXT | HOT | 180.0° | 177.8° |
| HA | CA | CB | OG | 46.0° | 64.2° |
| HA | CA | CB | HBC1 | 171.3° | 177.2° |
| HA | CA | CB | HBC2 | 79.2° | 56.0° |
| HA | CA | C | O | 54.0° | 150.1° |
| HA | CA | C | OXT | 125.6° | 32.2° |
| OG | CB | HBC1 | HBC2 | 119.3° | 117.5° |
| CB | OG | P1 | O1 | 69.8° | 51.8° |
| CB | OG | P1 | N1 | 176.9° | 180.0° |
| CB | OG | P1 | O2 | 70.1° | 67.0° |
| HBC1 | CB | OG | P1 | 24.1° | 59.3° |
| HBC2 | CB | OG | P1 | 85.5° | 58.1° |
| OG | P1 | O1 | N1 | 86.8° | 123.1° |
| OG | P1 | O1 | O2 | 149.8° | 113.2° |
| OG | P1 | N1 | O2 | 134.2° | 108.8° |
| OG | P1 | N1 | C2 | 75.3° | 174.3° |
| OG | P1 | N1 | C1 | 103.0° | 53.6° |
| OG | P1 | O2 | C3 | 23.5° | 52.3° |
| O | C | OXT | HOT | 0.4° | 0.0° |
| O1 | P1 | N1 | O2 | 123.7° | 125.4° |
| O1 | P1 | N1 | C2 | 26.7° | 60.0° |
| O1 | P1 | N1 | C1 | 154.9° | 72.1° |
| O1 | P1 | O2 | C3 | 114.0° | 171.7° |
| P1 | N1 | C2 | C1 | 178.4° | 135.6° |
| P1 | N1 | C2 | H2C1 | 54.8° | 71.6° |
| P1 | N1 | C2 | H2C2 | 54.7° | 48.4° |
| P1 | N1 | C2 | H2C3 | 180.0° | 168.4° |
| P1 | N1 | C1 | H1C1 | 54.7° | 96.9° |
| P1 | N1 | C1 | H1C2 | 54.8° | 23.1° |
| P1 | N1 | C1 | H1C3 | 180.0° | 143.1° |
| N1 | P1 | O2 | C3 | 124.4° | 60.0° |
| O2 | P1 | N1 | C2 | 150.4° | 65.4° |
| O2 | P1 | N1 | C1 | 31.2° | 162.4° |
| P1 | O2 | C3 | C4 | 111.6° | 180.0° |
| P1 | O2 | C3 | H3C1 | 13.7° | 59.3° |
| P1 | O2 | C3 | H3C2 | 123.1° | 59.4° |
| N1 | C2 | H2C1 | H2C2 | 113.1° | 120.8° |
| N1 | C2 | H2C1 | H2C3 | 133.8° | 120.8° |
| N1 | C2 | H2C2 | H2C3 | 133.9° | 120.9° |
| C2 | N1 | C1 | H1C1 | 126.8° | 127.4° |
| C2 | N1 | C1 | H1C2 | 123.7° | 112.7° |
| C2 | N1 | C1 | H1C3 | 1.6° | 7.4° |
| C1 | N1 | C2 | H2C1 | 123.6° | 64.0° |
| C1 | N1 | C2 | H2C2 | 126.9° | 176.0° |
| C1 | N1 | C2 | H2C3 | 1.6° | 56.0° |
| N1 | C1 | H1C1 | H1C2 | 114.3° | 120.8° |
| N1 | C1 | H1C1 | H1C3 | 131.4° | 121.0° |
| N1 | C1 | H1C2 | H1C3 | 131.4° | 121.0° |
| H2C1 | C2 | H2C2 | H2C3 | 113.1° | 118.3° |
| H1C1 | C1 | H1C2 | H1C3 | 114.3° | 118.3° |
| O2 | C3 | C4 | H3C1 | 125.3° | 119.5° |
| O2 | C3 | C4 | H3C2 | 125.3° | 119.5° |
| O2 | C3 | H3C1 | H3C2 | 117.8° | 118.5° |
| O2 | C3 | C4 | H4C1 | 54.7° | 180.0° |
| O2 | C3 | C4 | H4C2 | 54.7° | 59.2° |
| O2 | C3 | C4 | H4C3 | 180.0° | 59.2° |
| C4 | C3 | H3C1 | H3C2 | 117.8° | 121.8° |
| C3 | C4 | H4C1 | H4C2 | 117.8° | 122.0° |
| C3 | C4 | H4C1 | H4C3 | 124.4° | 121.9° |
| C3 | C4 | H4C2 | H4C3 | 124.3° | 120.5° |
| H3C1 | C3 | C4 | H4C1 | 180.0° | 60.4° |
| H3C1 | C3 | C4 | H4C2 | 70.5° | 178.7° |
| H3C1 | C3 | C4 | H4C3 | 54.7° | 60.4° |
| H3C2 | C3 | C4 | H4C1 | 70.5° | 60.5° |
| H3C2 | C3 | C4 | H4C2 | 180.0° | 60.4° |
| H3C2 | C3 | C4 | H4C3 | 54.8° | 178.7° |
| H4C1 | C4 | H4C2 | H4C3 | 117.8° | 117.4° |
