2QZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CN2 | N | sing | 1.47Å | 1.47Å | |
| CN1 | N | sing | 1.47Å | 1.46Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CB | OG1 | sing | 1.43Å | 1.43Å | |
| CB | CG2 | sing | 1.53Å | 1.51Å | |
| CN1 | H8 | sing | 1.09Å | 1.10Å | |
| CN1 | H3 | sing | 1.09Å | 1.10Å | |
| CN1 | H4 | sing | 1.09Å | 1.10Å | |
| CN2 | H5 | sing | 1.09Å | 1.10Å | |
| CN2 | H6 | sing | 1.09Å | 1.10Å | |
| CN2 | H7 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CG2 | H10 | sing | 1.09Å | 1.10Å | |
| CG2 | H11 | sing | 1.09Å | 1.10Å | |
| CG2 | H12 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 99.70Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| OG1 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CN2 | N | CN1 | 107.6° | 110.9° |
| CN2 | N | CA | 110.0° | 111.0° |
| N | CN2 | H5 | 109.5° | 109.4° |
| N | CN2 | H6 | 109.4° | 109.5° |
| N | CN2 | H7 | 109.5° | 109.5° |
| CN1 | N | CA | 111.3° | 111.1° |
| N | CN1 | H8 | 109.5° | 109.5° |
| N | CN1 | H3 | 109.5° | 109.6° |
| N | CN1 | H4 | 109.4° | 109.4° |
| N | CA | C | 112.5° | 109.5° |
| N | CA | CB | 113.7° | 109.5° |
| N | CA | HA | 107.2° | 109.4° |
| C | CA | CB | 110.0° | 109.5° |
| CA | C | O | 120.1° | 120.0° |
| C | CA | HA | 106.5° | 109.5° |
| CA | C | OXT | 26.6° | 120.0° |
| CA | CB | OG1 | 105.5° | 109.4° |
| CA | CB | CG2 | 113.4° | 109.5° |
| CB | CA | HA | 106.4° | 109.5° |
| CA | CB | H9 | 101.7° | 109.5° |
| O | C | OXT | 146.6° | 120.0° |
| OG1 | CB | CG2 | 127.6° | 109.5° |
| OG1 | CB | H9 | 102.7° | 109.5° |
| CB | OG1 | H13 | 109.5° | 113.9° |
| CG2 | CB | H9 | 102.1° | 109.5° |
| CB | CG2 | H10 | 109.5° | 109.4° |
| CB | CG2 | H11 | 109.5° | 109.4° |
| CB | CG2 | H12 | 109.5° | 109.5° |
| H8 | CN1 | H3 | 109.5° | 109.5° |
| H8 | CN1 | H4 | 109.4° | 109.5° |
| H3 | CN1 | H4 | 109.5° | 109.5° |
| H5 | CN2 | H6 | 109.5° | 109.4° |
| H5 | CN2 | H7 | 109.4° | 109.5° |
| H6 | CN2 | H7 | 109.5° | 109.5° |
| H10 | CG2 | H11 | 109.5° | 109.5° |
| H10 | CG2 | H12 | 109.5° | 109.5° |
| H11 | CG2 | H12 | 109.4° | 109.5° |
| C | OXT | HXT | 90.0° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CN2 | N | CN1 | CA | 120.6° | 124.0° |
| CN2 | N | CA | C | 56.5° | 66.5° |
| CN2 | N | CA | CB | 177.5° | 53.5° |
| CN2 | N | CN1 | H8 | 180.0° | 64.0° |
| CN2 | N | CN1 | H3 | 60.0° | 56.0° |
| CN2 | N | CN1 | H4 | 60.0° | 176.0° |
| N | CN2 | H5 | H6 | 120.0° | 120.0° |
| N | CN2 | H5 | H7 | 120.0° | 120.0° |
| N | CN2 | H6 | H7 | 120.0° | 120.1° |
| CN2 | N | CA | HA | 60.3° | 173.5° |
| CN1 | N | CA | C | 175.7° | 57.4° |
| CN1 | N | CA | CB | 58.4° | 177.5° |
| N | CN1 | H8 | H3 | 120.0° | 120.1° |
| N | CN1 | H8 | H4 | 120.0° | 119.9° |
| N | CN1 | H3 | H4 | 120.0° | 120.0° |
| CN1 | N | CN2 | H5 | 180.0° | 168.2° |
| CN1 | N | CN2 | H6 | 60.0° | 48.2° |
| CN1 | N | CN2 | H7 | 60.0° | 71.9° |
| CN1 | N | CA | HA | 58.9° | 62.6° |
| N | CA | C | CB | 127.9° | 120.0° |
| N | CA | C | HA | 117.2° | 120.0° |
| N | CA | CB | HA | 117.8° | 120.0° |
| N | CA | C | O | 140.4° | 12.3° |
| N | CA | CB | OG1 | 135.4° | 66.2° |
| N | CA | CB | CG2 | 80.4° | 53.7° |
| CA | N | CN1 | H8 | 59.4° | 60.0° |
| CA | N | CN1 | H3 | 60.6° | 180.0° |
| CA | N | CN1 | H4 | 179.4° | 60.0° |
| CA | N | CN2 | H5 | 58.5° | 67.8° |
| CA | N | CN2 | H6 | 178.5° | 172.2° |
| CA | N | CN2 | H7 | 61.4° | 52.1° |
| N | CA | CB | H9 | 28.5° | 173.8° |
| N | CA | C | OXT | 35.6° | 167.7° |
| C | CA | CB | HA | 114.9° | 120.0° |
| CA | C | O | OXT | 3.3° | 179.9° |
| C | CA | CB | OG1 | 97.3° | 53.8° |
| C | CA | CB | CG2 | 46.9° | 173.8° |
| C | CA | CB | H9 | 155.7° | 66.2° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| CB | CA | C | O | 91.7° | 107.7° |
| CA | CB | OG1 | CG2 | 137.3° | 120.0° |
| CA | CB | OG1 | H9 | 106.2° | 120.0° |
| CA | CB | CG2 | H9 | 108.6° | 120.0° |
| CA | CB | CG2 | H10 | 180.0° | 60.0° |
| CA | CB | CG2 | H11 | 60.0° | 60.0° |
| CA | CB | CG2 | H12 | 60.0° | 179.9° |
| CB | CA | C | OXT | 92.4° | 72.2° |
| CA | CB | OG1 | H13 | 180.0° | 180.0° |
| O | C | CA | HA | 23.2° | 132.3° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| OG1 | CB | CG2 | H9 | 116.7° | 120.0° |
| OG1 | CB | CA | HA | 17.6° | 173.8° |
| OG1 | CB | CG2 | H10 | 45.4° | 180.0° |
| OG1 | CB | CG2 | H11 | 165.4° | 60.0° |
| OG1 | CB | CG2 | H12 | 74.7° | 60.0° |
| CG2 | CB | CA | HA | 161.8° | 66.2° |
| CB | CG2 | H10 | H11 | 120.0° | 119.9° |
| CB | CG2 | H10 | H12 | 120.0° | 120.0° |
| CB | CG2 | H11 | H12 | 120.0° | 120.0° |
| CG2 | CB | OG1 | H13 | 42.7° | 60.0° |
| H8 | CN1 | H3 | H4 | 120.0° | 120.0° |
| H5 | CN2 | H6 | H7 | 120.0° | 120.0° |
| HA | CA | CB | H9 | 89.3° | 53.8° |
| HA | CA | C | OXT | 152.8° | 47.8° |
| H9 | CB | CG2 | H10 | 71.3° | 60.0° |
| H9 | CB | CG2 | H11 | 48.7° | 180.0° |
| H9 | CB | CG2 | H12 | 168.6° | 60.0° |
| H9 | CB | OG1 | H13 | 73.8° | 60.0° |
| H10 | CG2 | H11 | H12 | 120.0° | 120.1° |
