SIC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C2 | CA | sing | 1.51Å | 1.50Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| C4 | CA | sing | 1.54Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | N1 | sing | 1.34Å | 1.33Å | |
| O5 | C5 | doub | 1.21Å | 1.22Å | |
| N1 | C2 | sing | 1.34Å | 1.34Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| C3 | C | sing | 1.51Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| CB | C3 | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| SG | CB | sing | 1.81Å | 1.82Å | |
| SG | HSG | sing | 1.35Å | 1.30Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H | N | H2 | 109.5° | 111.0° |
| H | N | CA | 109.5° | 111.1° |
| H2 | N | CA | 109.4° | 111.0° |
| N | CA | HA | 104.2° | 110.5° |
| N | CA | C2 | 112.5° | 110.6° |
| N | CA | C4 | 111.4° | 110.6° |
| HA | CA | C2 | 112.5° | 110.6° |
| HA | CA | C4 | 113.6° | 110.5° |
| CA | C2 | O2 | 122.0° | 125.4° |
| C2 | CA | C4 | 102.9° | 103.7° |
| CA | C2 | N1 | 111.0° | 109.2° |
| O2 | C2 | N1 | 126.9° | 125.4° |
| CA | C4 | H4 | 111.9° | 110.7° |
| CA | C4 | H4A | 113.3° | 110.5° |
| CA | C4 | C5 | 102.6° | 103.5° |
| H4 | C4 | H4A | 104.2° | 110.6° |
| H4 | C4 | C5 | 111.9° | 110.6° |
| H4A | C4 | C5 | 113.3° | 110.7° |
| C4 | C5 | N1 | 111.4° | 109.2° |
| C4 | C5 | O5 | 122.3° | 125.4° |
| N1 | C5 | O5 | 126.3° | 125.4° |
| C5 | N1 | C2 | 111.2° | 114.4° |
| C5 | N1 | C3 | 122.9° | 122.8° |
| C2 | N1 | C3 | 125.8° | 122.8° |
| N1 | C3 | C | 114.4° | 109.5° |
| N1 | C3 | H3 | 108.5° | 109.5° |
| N1 | C3 | CB | 107.8° | 109.5° |
| C | C3 | H3 | 103.0° | 109.5° |
| C | C3 | CB | 112.9° | 109.5° |
| C3 | C | O | 121.3° | 120.0° |
| C3 | C | OXT | 119.4° | 120.0° |
| H3 | C3 | CB | 110.2° | 109.4° |
| C3 | CB | HB | 109.4° | 109.4° |
| C3 | CB | HBA | 109.3° | 109.5° |
| C3 | CB | SG | 109.7° | 109.5° |
| HB | CB | HBA | 109.7° | 109.5° |
| HB | CB | SG | 109.4° | 109.5° |
| HBA | CB | SG | 109.3° | 109.5° |
| CB | SG | HSG | 109.5° | 103.0° |
| O | C | OXT | 119.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H | N | H2 | CA | 120.0° | 124.0° |
| H | N | CA | HA | 170.1° | 59.4° |
| H | N | CA | C2 | 67.8° | 63.5° |
| H | N | CA | C4 | 47.2° | 177.9° |
| H2 | N | CA | HA | 50.1° | 176.7° |
| H2 | N | CA | C2 | 172.2° | 60.4° |
| H2 | N | CA | C4 | 72.8° | 53.9° |
| N | CA | HA | C2 | 122.1° | 122.9° |
| N | CA | HA | C4 | 121.5° | 122.8° |
| N | CA | C2 | C4 | 120.0° | 118.6° |
| N | CA | C2 | O2 | 52.0° | 61.5° |
| N | CA | C4 | H4 | 110.7° | 122.9° |
| N | CA | C4 | H4A | 6.8° | 0.1° |
| N | CA | C4 | C5 | 129.3° | 118.5° |
| N | CA | C2 | N1 | 130.3° | 118.5° |
| HA | CA | C2 | C4 | 122.6° | 118.5° |
| HA | CA | C2 | O2 | 65.3° | 61.3° |
| HA | CA | C4 | H4 | 6.6° | 0.2° |
| HA | CA | C4 | H4A | 124.1° | 122.7° |
| HA | CA | C4 | C5 | 113.4° | 118.7° |
| HA | CA | C2 | N1 | 112.4° | 118.6° |
| CA | C2 | O2 | N1 | 177.3° | 179.9° |
| C2 | CA | C4 | H4 | 128.6° | 118.4° |
| C2 | CA | C4 | H4A | 114.0° | 118.7° |
| C2 | CA | C4 | C5 | 8.6° | 0.1° |
| CA | C2 | N1 | C5 | 7.6° | 0.1° |
| CA | C2 | N1 | C3 | 168.6° | 179.9° |
| O2 | C2 | CA | C4 | 172.1° | 179.8° |
| O2 | C2 | N1 | C5 | 174.8° | 179.9° |
| O2 | C2 | N1 | C3 | 8.9° | 0.1° |
| CA | C4 | H4 | H4A | 122.8° | 122.8° |
| CA | C4 | H4 | C5 | 114.4° | 114.1° |
| CA | C4 | H4A | C5 | 116.3° | 114.1° |
| CA | C4 | C5 | N1 | 5.0° | 0.1° |
| CA | C4 | C5 | O5 | 173.1° | 179.9° |
| C4 | CA | C2 | N1 | 10.3° | 0.1° |
| H4 | C4 | H4A | C5 | 121.8° | 123.0° |
| H4 | C4 | C5 | N1 | 125.0° | 118.5° |
| H4 | C4 | C5 | O5 | 53.0° | 61.5° |
| H4A | C4 | C5 | N1 | 117.5° | 118.6° |
| H4A | C4 | C5 | O5 | 64.4° | 61.5° |
| C4 | C5 | N1 | O5 | 177.9° | 180.0° |
| C4 | C5 | N1 | C2 | 1.4° | 0.0° |
| C4 | C5 | N1 | C3 | 174.9° | 180.0° |
| C5 | N1 | C2 | C3 | 176.2° | 180.0° |
| C5 | N1 | C3 | C | 122.5° | 60.0° |
| C5 | N1 | C3 | H3 | 8.2° | 180.0° |
| C5 | N1 | C3 | CB | 111.1° | 60.0° |
| O5 | C5 | N1 | C2 | 179.4° | 180.0° |
| O5 | C5 | N1 | C3 | 3.0° | 0.0° |
| C2 | N1 | C3 | C | 53.3° | 120.0° |
| C2 | N1 | C3 | H3 | 167.6° | 0.0° |
| C2 | N1 | C3 | CB | 73.1° | 120.0° |
| N1 | C3 | C | H3 | 117.5° | 120.0° |
| N1 | C3 | C | CB | 123.7° | 120.0° |
| N1 | C3 | H3 | CB | 117.8° | 120.0° |
| N1 | C3 | CB | HB | 33.3° | 60.0° |
| N1 | C3 | CB | HBA | 153.4° | 180.0° |
| N1 | C3 | CB | SG | 86.7° | 60.0° |
| N1 | C3 | C | O | 115.9° | 0.0° |
| N1 | C3 | C | OXT | 64.1° | 180.0° |
| C | C3 | H3 | CB | 120.6° | 120.0° |
| C | C3 | CB | HB | 94.0° | 60.0° |
| C | C3 | CB | HBA | 26.1° | 60.0° |
| C | C3 | CB | SG | 146.0° | 180.0° |
| C3 | C | O | OXT | 180.0° | 180.0° |
| C3 | C | OXT | HXT | 180.0° | 179.9° |
| H3 | C3 | CB | HB | 151.5° | NaN° |
| H3 | C3 | CB | HBA | 88.4° | 60.0° |
| H3 | C3 | CB | SG | 31.5° | 60.0° |
| H3 | C3 | C | O | 126.6° | 120.0° |
| H3 | C3 | C | OXT | 53.4° | 60.0° |
| C3 | CB | HB | HBA | 119.9° | 120.0° |
| C3 | CB | HB | SG | 120.2° | 120.0° |
| C3 | CB | HBA | SG | 120.1° | 120.0° |
| C3 | CB | SG | HSG | 46.5° | 180.0° |
| CB | C3 | C | O | 7.8° | 120.0° |
| CB | C3 | C | OXT | 172.2° | 60.0° |
| HB | CB | HBA | SG | 119.9° | 120.0° |
| HB | CB | SG | HSG | 73.5° | 60.0° |
| HBA | CB | SG | HSG | 166.4° | 60.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
