I78
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAK | CAJ | doub | 1.21Å | 1.25Å | |
| OAI | CAJ | sing | 1.35Å | 1.24Å | |
| CAJ | CAC | sing | 1.49Å | 1.52Å | |
| CAC | OAE | doub | 1.21Å | 1.23Å | |
| CAC | N | sing | 1.35Å | 1.33Å | |
| N | CA | sing | 1.46Å | 1.48Å | |
| OXT | C | doub | 1.21Å | 1.25Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| OAI | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAK | CAJ | OAI | 119.4° | 120.0° |
| OAK | CAJ | CAC | 119.4° | 120.0° |
| OAI | CAJ | CAC | 121.2° | 120.0° |
| CAJ | OAI | H2 | 109.5° | 117.0° |
| CAJ | CAC | OAE | 121.1° | 120.0° |
| CAJ | CAC | N | 116.5° | 120.0° |
| OAE | CAC | N | 122.4° | 120.0° |
| CAC | N | CA | 117.8° | 120.0° |
| CAC | N | H | 121.1° | 120.0° |
| N | CA | C | 107.6° | 109.5° |
| N | CA | CB | 113.5° | 109.5° |
| CA | N | H | 121.1° | 120.0° |
| N | CA | HA | 105.0° | 109.5° |
| OXT | C | CA | 117.0° | 119.9° |
| OXT | C | O | 127.4° | 120.0° |
| C | CA | CB | 120.0° | 109.4° |
| CA | C | O | 115.4° | 120.0° |
| C | CA | HA | 104.6° | 109.4° |
| CB | CA | HA | 104.6° | 109.5° |
| CA | CB | HB1 | 109.5° | 109.5° |
| CA | CB | HB3 | 109.5° | 109.5° |
| CA | CB | HB2 | 109.5° | 109.5° |
| C | O | H1 | 109.5° | 117.1° |
| HB1 | CB | HB3 | 109.5° | 109.5° |
| HB1 | CB | HB2 | 109.4° | 109.4° |
| HB3 | CB | HB2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAK | CAJ | OAI | CAC | 179.9° | 180.0° |
| OAK | CAJ | CAC | OAE | 0.1° | 180.0° |
| OAK | CAJ | CAC | N | 179.5° | 0.1° |
| OAK | CAJ | OAI | H2 | 0.0° | 0.0° |
| OAI | CAJ | CAC | OAE | 179.7° | 0.0° |
| OAI | CAJ | CAC | N | 0.4° | 180.0° |
| CAJ | CAC | OAE | N | 179.3° | 180.0° |
| CAJ | CAC | N | CA | 179.4° | 180.0° |
| CAJ | CAC | N | H | 0.6° | 0.2° |
| CAC | CAJ | OAI | H2 | 179.9° | 180.0° |
| OAE | CAC | N | CA | 1.3° | 0.1° |
| OAE | CAC | N | H | 178.8° | 179.7° |
| CAC | N | CA | H | 180.0° | 179.8° |
| CAC | N | CA | C | 153.9° | 155.2° |
| CAC | N | CA | CB | 70.8° | 84.8° |
| CAC | N | CA | HA | 42.8° | 35.2° |
| N | CA | C | OXT | 23.5° | 0.0° |
| N | CA | C | CB | 131.8° | 120.0° |
| N | CA | C | HA | 111.3° | 120.1° |
| N | CA | CB | HA | 113.9° | 120.0° |
| N | CA | C | O | 151.4° | 180.0° |
| N | CA | CB | HB1 | 180.0° | 60.0° |
| N | CA | CB | HB3 | 60.0° | 60.0° |
| N | CA | CB | HB2 | 60.0° | 180.0° |
| OXT | C | CA | O | 174.9° | 180.0° |
| OXT | C | CA | CB | 108.3° | 120.0° |
| OXT | C | CA | HA | 134.9° | 120.0° |
| OXT | C | O | H1 | 0.0° | 0.0° |
| C | CA | CB | HA | 116.8° | 119.9° |
| C | CA | N | H | 26.1° | 25.0° |
| CA | C | O | H1 | 174.3° | 180.0° |
| C | CA | CB | HB1 | 50.8° | 60.0° |
| C | CA | CB | HB3 | 69.3° | 180.0° |
| C | CA | CB | HB2 | 170.7° | 60.0° |
| CB | CA | C | O | 76.8° | 60.0° |
| CB | CA | N | H | 109.2° | 95.0° |
| CA | CB | HB1 | HB3 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 120.0° | 120.0° |
| CA | CB | HB3 | HB2 | 120.0° | 120.1° |
| O | C | CA | HA | 40.1° | 60.0° |
| H | N | CA | HA | 137.2° | 145.0° |
| HA | CA | CB | HB1 | 66.1° | 179.9° |
| HA | CA | CB | HB3 | 173.9° | 60.0° |
| HA | CA | CB | HB2 | 53.9° | 60.0° |
| HB1 | CB | HB3 | HB2 | 120.0° | 120.0° |
