AVO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| NE2 | CD2 | sing | 1.34Å | 1.37Å | Aromatic |
| NE2 | CE1 | doub | 1.30Å | 1.36Å | Aromatic |
| CD2 | CG | doub | 1.35Å | 1.37Å | Aromatic |
| CAH | CAF | sing | 1.54Å | 1.56Å | |
| CAH | N | sing | 1.49Å | 1.41Å | |
| CE1 | ND1 | sing | 1.35Å | 1.38Å | Aromatic |
| CA | N | sing | 1.47Å | 1.43Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CG | ND1 | sing | 1.37Å | 1.36Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.49Å | |
| CAF | CAE | sing | 1.54Å | 1.52Å | |
| N | CAG | sing | 1.49Å | 1.43Å | |
| CAG | CAE | sing | 1.54Å | 1.55Å | |
| CAG | HE4 | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HE2 | sing | 1.09Å | 1.10Å | |
| CAF | HE3 | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HE5 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| NE2 | H2 | sing | 0.97Å | 1.00Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| ND1 | HD1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 120.4° | 120.0° |
| O | C | CA | 119.5° | 120.0° |
| OXT | C | CA | 120.1° | 119.9° |
| C | OXT | H1 | 109.5° | 116.9° |
| C | CA | N | 110.0° | 109.4° |
| C | CA | CB | 108.0° | 109.5° |
| C | CA | HA | 108.6° | 109.5° |
| CD2 | NE2 | CE1 | 108.3° | 109.3° |
| NE2 | CD2 | CG | 108.2° | 108.0° |
| NE2 | CD2 | HD2 | 125.9° | 126.0° |
| CD2 | NE2 | H2 | 125.9° | 125.4° |
| NE2 | CE1 | ND1 | 107.5° | 108.7° |
| CE1 | NE2 | H2 | 125.9° | 125.4° |
| NE2 | CE1 | HE1 | 126.2° | 125.7° |
| CD2 | CG | ND1 | 107.6° | 106.8° |
| CD2 | CG | CB | 127.5° | 126.6° |
| CG | CD2 | HD2 | 125.9° | 126.0° |
| CAF | CAH | N | 107.8° | 104.6° |
| CAH | CAF | CAE | 103.6° | 105.1° |
| CAH | CAF | HE3 | 110.9° | 110.4° |
| CAH | CAF | HAF | 110.9° | 110.4° |
| CAF | CAH | HAH | 109.9° | 110.4° |
| CAF | CAH | HE5 | 109.9° | 110.4° |
| CAH | N | CA | 110.3° | 110.5° |
| CAH | N | CAG | 109.8° | 104.2° |
| N | CAH | HAH | 109.9° | 110.4° |
| N | CAH | HE5 | 109.9° | 110.4° |
| CAH | N | H | 108.9° | 110.5° |
| CE1 | ND1 | CG | 108.5° | 107.2° |
| ND1 | CE1 | HE1 | 126.2° | 125.6° |
| CE1 | ND1 | HD1 | 125.8° | 126.4° |
| N | CA | CB | 111.5° | 109.5° |
| CA | N | CAG | 110.4° | 110.4° |
| CA | N | H | 108.7° | 110.6° |
| N | CA | HA | 110.0° | 109.5° |
| CA | CB | CG | 111.9° | 109.5° |
| CB | CA | HA | 108.8° | 109.5° |
| CA | CB | HB2 | 108.9° | 109.5° |
| CA | CB | HB1 | 108.9° | 109.4° |
| ND1 | CG | CB | 124.9° | 126.5° |
| CG | ND1 | HD1 | 125.8° | 126.4° |
| CG | CB | HB2 | 108.8° | 109.5° |
| CG | CB | HB1 | 108.8° | 109.5° |
| CAF | CAE | CAG | 102.0° | 105.0° |
| CAF | CAE | HAE | 111.3° | 110.3° |
| CAF | CAE | HE2 | 111.3° | 110.4° |
| CAE | CAF | HE3 | 110.9° | 110.3° |
| CAE | CAF | HAF | 110.9° | 110.3° |
| N | CAG | CAE | 105.3° | 104.6° |
| N | CAG | HE4 | 110.5° | 110.4° |
| N | CAG | HAG | 110.5° | 110.6° |
| CAG | N | H | 108.7° | 110.5° |
| CAE | CAG | HE4 | 110.5° | 110.4° |
| CAE | CAG | HAG | 110.5° | 110.4° |
| CAG | CAE | HAE | 111.3° | 110.3° |
| CAG | CAE | HE2 | 111.3° | 110.3° |
| HE4 | CAG | HAG | 109.4° | 110.4° |
| HAE | CAE | HE2 | 109.5° | 110.3° |
| HE3 | CAF | HAF | 109.4° | 110.3° |
| HAH | CAH | HE5 | 109.5° | 110.5° |
| HB2 | CB | HB1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 180.0° | 180.0° |
| O | C | CA | N | 120.8° | 0.0° |
| O | C | CA | CB | 117.3° | 120.0° |
| O | C | CA | HA | 0.4° | 120.0° |
| O | C | OXT | H1 | 0.0° | 0.1° |
| OXT | C | CA | N | 59.2° | 180.0° |
| OXT | C | CA | CB | 62.6° | 60.0° |
| OXT | C | CA | HA | 179.6° | 60.0° |
| C | CA | N | CAH | 61.2° | 65.7° |
| C | CA | N | CB | 119.7° | 120.0° |
| C | CA | N | HA | 119.5° | 120.0° |
| C | CA | CB | HA | 117.7° | 120.1° |
| C | CA | CB | CG | 60.1° | 57.9° |
| C | CA | N | CAG | 177.2° | 179.5° |
| C | CA | N | H | 58.1° | 57.0° |
| CA | C | OXT | H1 | 180.0° | 179.9° |
| C | CA | CB | HB2 | 179.6° | 62.2° |
| C | CA | CB | HB1 | 60.3° | 177.8° |
| CD2 | NE2 | CE1 | H2 | 180.0° | 180.0° |
| NE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CD2 | NE2 | CE1 | ND1 | 0.1° | 0.0° |
| NE2 | CD2 | CG | ND1 | 0.3° | 0.0° |
| NE2 | CD2 | CG | CB | 179.1° | 179.7° |
| CD2 | NE2 | CE1 | HE1 | 179.9° | 180.0° |
| CE1 | NE2 | CD2 | CG | 0.2° | 0.0° |
| NE2 | CE1 | ND1 | HE1 | 180.0° | 180.0° |
| NE2 | CE1 | ND1 | CG | 0.3° | 0.0° |
| CE1 | NE2 | CD2 | HD2 | 179.8° | 180.0° |
| NE2 | CE1 | ND1 | HD1 | 179.7° | 179.7° |
| CD2 | CG | ND1 | CE1 | 0.4° | 0.0° |
| CD2 | CG | CB | CA | 36.7° | 86.0° |
| CD2 | CG | ND1 | CB | 178.8° | 179.7° |
| CD2 | CG | CB | HB2 | 83.7° | 154.0° |
| CD2 | CG | CB | HB1 | 157.0° | 34.0° |
| CG | CD2 | NE2 | H2 | 179.9° | 180.0° |
| CD2 | CG | ND1 | HD1 | 179.6° | 179.7° |
| CAF | CAH | N | HAH | 119.7° | 118.8° |
| CAF | CAH | N | HE5 | 119.7° | 118.8° |
| CAF | CAH | N | CA | 131.2° | 158.1° |
| CAH | CAF | CAE | HE3 | 119.1° | 119.0° |
| CAH | CAF | CAE | HAF | 119.1° | 119.0° |
| CAF | CAH | N | CAG | 9.3° | 39.5° |
| CAH | CAF | CAE | CAG | 27.7° | 0.0° |
| CAH | CAF | CAE | HAE | 146.5° | 118.9° |
| CAH | CAF | CAE | HE2 | 91.1° | 118.9° |
| CAH | CAF | HE3 | HAF | 122.7° | 122.3° |
| CAF | CAH | HAH | HE5 | 120.8° | 122.5° |
| CAF | CAH | N | H | 109.6° | 79.2° |
| CAH | N | CA | CAG | 121.5° | 114.8° |
| CAH | N | CA | H | 119.4° | 122.7° |
| CAH | N | CA | CB | 179.0° | 174.4° |
| N | CAH | CAF | CAE | 12.9° | 23.9° |
| CAH | N | CAG | H | 119.1° | 118.7° |
| CAH | N | CAG | CAE | 27.5° | 39.5° |
| CAH | N | CAG | HE4 | 146.9° | 79.2° |
| CAH | N | CAG | HAG | 91.9° | 158.3° |
| N | CAH | CAF | HE3 | 106.2° | 95.0° |
| N | CAH | CAF | HAF | 131.9° | 142.8° |
| N | CAH | HAH | HE5 | 120.8° | 122.4° |
| CAH | N | CA | HA | 58.3° | 54.3° |
| CE1 | ND1 | CG | HD1 | 180.0° | 179.8° |
| CE1 | ND1 | CG | CB | 179.2° | 179.8° |
| ND1 | CE1 | NE2 | H2 | 179.9° | 180.0° |
| N | CA | CB | HA | 121.4° | 120.0° |
| N | CA | CB | CG | 179.0° | 62.1° |
| CA | N | CAG | H | 119.1° | 122.6° |
| CA | N | CAG | CAE | 149.4° | 158.1° |
| CA | N | CAG | HE4 | 91.3° | 39.4° |
| CA | N | CAG | HAG | 30.0° | 83.0° |
| CA | N | CAH | HAH | 109.1° | 83.1° |
| CA | N | CAH | HE5 | 11.5° | 39.3° |
| N | CA | CB | HB2 | 58.7° | 177.9° |
| N | CA | CB | HB1 | 60.6° | 57.9° |
| CA | CB | CG | ND1 | 144.8° | 93.7° |
| CA | CB | CG | HB2 | 120.4° | 120.0° |
| CA | CB | CG | HB1 | 120.4° | 120.0° |
| CB | CA | N | CAG | 57.5° | 59.6° |
| CB | CA | N | H | 61.6° | 63.0° |
| CA | CB | HB2 | HB1 | 118.9° | 120.0° |
| ND1 | CG | CB | HB2 | 94.8° | 26.4° |
| ND1 | CG | CB | HB1 | 24.5° | 146.4° |
| ND1 | CG | CD2 | HD2 | 179.7° | 180.0° |
| CG | ND1 | CE1 | HE1 | 179.7° | 180.0° |
| CG | CB | CA | HA | 57.6° | 177.9° |
| CG | CB | HB2 | HB1 | 118.9° | 120.0° |
| CB | CG | CD2 | HD2 | 0.9° | 0.3° |
| CB | CG | ND1 | HD1 | 0.8° | 0.0° |
| CAF | CAE | CAG | N | 34.3° | 23.8° |
| CAF | CAE | CAG | HAE | 118.8° | 118.9° |
| CAF | CAE | CAG | HE2 | 118.8° | 119.0° |
| CAF | CAE | CAG | HE4 | 153.6° | 94.9° |
| CAF | CAE | CAG | HAG | 85.1° | 142.8° |
| CAF | CAE | HAE | HE2 | 123.4° | 122.2° |
| CAE | CAF | HE3 | HAF | 122.7° | 122.1° |
| CAE | CAF | CAH | HAH | 106.8° | 142.6° |
| CAE | CAF | CAH | HE5 | 132.6° | 94.9° |
| N | CAG | CAE | HE4 | 119.3° | 118.8° |
| N | CAG | CAE | HAG | 119.4° | 118.9° |
| N | CAG | HE4 | HAG | 121.9° | 122.5° |
| N | CAG | CAE | HAE | 153.0° | 95.0° |
| N | CAG | CAE | HE2 | 84.5° | 142.8° |
| CAG | N | CAH | HAH | 129.0° | 158.3° |
| CAG | N | CAH | HE5 | 110.4° | 79.3° |
| CAG | N | CA | HA | 63.2° | 60.4° |
| CAE | CAG | HE4 | HAG | 121.9° | 122.3° |
| CAG | CAE | HAE | HE2 | 123.5° | 122.2° |
| CAG | CAE | CAF | HE3 | 91.4° | 118.9° |
| CAG | CAE | CAF | HAF | 146.8° | 119.0° |
| CAE | CAG | N | H | 91.5° | 79.2° |
| HE4 | CAG | CAE | HAE | 87.6° | 146.2° |
| HE4 | CAG | CAE | HE2 | 34.8° | 24.1° |
| HE4 | CAG | N | H | 27.8° | 162.0° |
| HAG | CAG | CAE | HAE | 33.7° | 23.9° |
| HAG | CAG | CAE | HE2 | 156.1° | 98.2° |
| HAG | CAG | N | H | 149.1° | 39.6° |
| HAE | CAE | CAF | HE3 | 27.4° | 0.0° |
| HAE | CAE | CAF | HAF | 94.4° | 122.1° |
| HE2 | CAE | CAF | HE3 | 149.8° | 122.1° |
| HE2 | CAE | CAF | HAF | 27.9° | 0.0° |
| HE3 | CAF | CAH | HAH | 134.1° | 23.7° |
| HE3 | CAF | CAH | HE5 | 13.6° | 146.2° |
| HAF | CAF | CAH | HAH | 12.2° | 98.5° |
| HAF | CAF | CAH | HE5 | 108.3° | 24.0° |
| HAH | CAH | N | H | 10.1° | 39.6° |
| HE5 | CAH | N | H | 130.7° | 162.0° |
| H | N | CA | HA | 177.7° | 177.0° |
| HA | CA | CB | HB2 | 62.8° | 57.9° |
| HA | CA | CB | HB1 | 177.9° | 62.1° |
| HD2 | CD2 | NE2 | H2 | 0.1° | 0.0° |
| H2 | NE2 | CE1 | HE1 | 0.1° | 0.0° |
| HE1 | CE1 | ND1 | HD1 | 0.3° | 0.2° |
