EA4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OAN | sing | 1.34Å | 1.36Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | CAO | sing | 1.35Å | 1.33Å | |
| CAA | CAI | sing | 1.53Å | 1.53Å | |
| NAB | CAQ | sing | 1.40Å | 1.33Å | |
| OAC | CAO | doub | 1.22Å | 1.24Å | |
| CAE | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAR | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | OAN | sing | 1.45Å | 1.43Å | |
| CAK | NAM | sing | 1.47Å | 1.47Å | |
| CAK | CAR | sing | 1.51Å | 1.53Å | |
| NAM | CAO | sing | 1.35Å | 1.34Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAA | HAAC | sing | 1.09Å | 1.10Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å | |
| NAB | HNAA | sing | 0.97Å | 1.00Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| NAM | HNAM | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.8° | 120.0° |
| O | C | OAN | 122.2° | 120.0° |
| CA | C | OAN | 117.0° | 120.0° |
| C | CA | N | 108.8° | 109.5° |
| C | CA | HA | 109.7° | 109.5° |
| C | CA | HAA | 109.7° | 109.5° |
| C | OAN | CAI | 115.3° | 117.0° |
| CA | N | CAO | 122.5° | 120.0° |
| CA | N | HN | 118.8° | 120.0° |
| N | CA | HA | 109.7° | 109.5° |
| N | CA | HAA | 109.7° | 109.5° |
| N | CAO | OAC | 121.9° | 120.0° |
| N | CAO | NAM | 114.9° | 120.0° |
| CAO | N | HN | 118.8° | 120.0° |
| CAA | CAI | OAN | 104.9° | 109.5° |
| CAI | CAA | HAAA | 109.5° | 109.5° |
| CAI | CAA | HAAB | 109.5° | 109.5° |
| CAI | CAA | HAAC | 109.5° | 109.5° |
| CAA | CAI | HAI | 111.0° | 109.5° |
| CAA | CAI | HAIA | 111.0° | 109.5° |
| NAB | CAQ | CAE | 119.1° | 120.1° |
| NAB | CAQ | CAF | 120.9° | 120.0° |
| CAQ | NAB | HNAB | 109.5° | 120.0° |
| CAQ | NAB | HNAA | 109.4° | 120.0° |
| OAC | CAO | NAM | 123.3° | 120.0° |
| CAG | CAE | CAQ | 120.2° | 119.9° |
| CAE | CAG | CAR | 120.1° | 120.1° |
| CAG | CAE | HAE | 119.9° | 120.1° |
| CAE | CAG | HAG | 120.0° | 120.0° |
| CAE | CAQ | CAF | 120.0° | 119.9° |
| CAQ | CAE | HAE | 119.9° | 120.0° |
| CAH | CAF | CAQ | 120.1° | 119.9° |
| CAF | CAH | CAR | 119.7° | 120.1° |
| CAH | CAF | HAF | 120.0° | 120.1° |
| CAF | CAH | HAH | 120.2° | 119.9° |
| CAQ | CAF | HAF | 119.9° | 120.1° |
| CAG | CAR | CAH | 119.9° | 120.2° |
| CAG | CAR | CAK | 119.2° | 119.9° |
| CAR | CAG | HAG | 119.9° | 120.0° |
| CAH | CAR | CAK | 120.9° | 119.9° |
| CAR | CAH | HAH | 120.1° | 119.9° |
| OAN | CAI | HAI | 111.0° | 109.4° |
| OAN | CAI | HAIA | 111.0° | 109.5° |
| NAM | CAK | CAR | 108.3° | 109.5° |
| CAK | NAM | CAO | 124.0° | 120.0° |
| NAM | CAK | HAK | 109.9° | 109.4° |
| NAM | CAK | HAKA | 109.9° | 109.5° |
| CAK | NAM | HNAM | 118.0° | 120.0° |
| CAR | CAK | HAK | 109.9° | 109.5° |
| CAR | CAK | HAKA | 109.9° | 109.5° |
| CAO | NAM | HNAM | 118.0° | 120.0° |
| HA | CA | HAA | 109.2° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAC | 109.5° | 109.4° |
| HAAB | CAA | HAAC | 109.5° | 109.5° |
| HNAB | NAB | HNAA | 109.5° | 120.0° |
| HAI | CAI | HAIA | 107.9° | 109.5° |
| HAK | CAK | HAKA | 109.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OAN | 178.7° | 179.7° |
| O | C | CA | N | 1.9° | 0.0° |
| O | C | OAN | CAI | 17.9° | 0.0° |
| O | C | CA | HA | 121.9° | 120.0° |
| O | C | CA | HAA | 118.1° | 120.0° |
| C | CA | N | HA | 120.0° | 120.0° |
| C | CA | N | HAA | 120.0° | 120.0° |
| C | CA | N | CAO | 98.2° | 180.0° |
| CA | C | OAN | CAI | 163.4° | 179.7° |
| C | CA | N | HN | 81.8° | 0.0° |
| C | CA | HA | HAA | 120.3° | 120.0° |
| OAN | C | CA | N | 176.8° | 179.7° |
| C | OAN | CAI | CAA | 172.0° | 180.0° |
| OAN | C | CA | HA | 56.8° | 59.8° |
| OAN | C | CA | HAA | 63.2° | 60.3° |
| C | OAN | CAI | HAI | 68.0° | 60.0° |
| C | OAN | CAI | HAIA | 52.0° | 60.0° |
| CA | N | CAO | HN | 180.0° | 180.0° |
| CA | N | CAO | OAC | 0.7° | 0.0° |
| CA | N | CAO | NAM | 179.7° | 180.0° |
| N | CA | HA | HAA | 120.3° | 120.0° |
| N | CAO | OAC | NAM | 179.6° | 180.0° |
| N | CAO | NAM | CAK | 178.9° | 179.9° |
| CAO | N | CA | HA | 141.8° | 60.0° |
| CAO | N | CA | HAA | 21.8° | 60.0° |
| N | CAO | NAM | HNAM | 1.1° | 0.0° |
| CAA | CAI | OAN | HAI | 120.0° | 120.0° |
| CAA | CAI | OAN | HAIA | 120.0° | 120.0° |
| CAI | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAI | CAA | HAAA | HAAC | 120.0° | 120.0° |
| CAI | CAA | HAAB | HAAC | 120.0° | 120.0° |
| CAA | CAI | HAI | HAIA | 121.9° | 120.0° |
| NAB | CAQ | CAE | CAG | 179.9° | 180.0° |
| NAB | CAQ | CAE | CAF | 179.6° | 179.9° |
| NAB | CAQ | CAF | CAH | 179.4° | 180.0° |
| CAQ | NAB | HNAB | HNAA | 120.0° | 179.9° |
| NAB | CAQ | CAE | HAE | 0.1° | 0.2° |
| NAB | CAQ | CAF | HAF | 0.7° | 0.1° |
| OAC | CAO | NAM | CAK | 1.5° | 0.0° |
| OAC | CAO | N | HN | 179.3° | 180.0° |
| OAC | CAO | NAM | HNAM | 178.5° | 180.0° |
| CAG | CAE | CAQ | HAE | 180.0° | 179.8° |
| CAG | CAE | CAQ | CAF | 0.4° | 0.0° |
| CAE | CAG | CAR | HAG | 180.0° | 180.0° |
| CAE | CAG | CAR | CAH | 0.3° | 0.0° |
| CAE | CAG | CAR | CAK | 179.7° | 180.0° |
| CAE | CAQ | CAF | CAH | 0.3° | 0.1° |
| CAQ | CAE | CAG | CAR | 0.4° | 0.0° |
| CAE | CAQ | NAB | HNAB | 180.0° | 0.0° |
| CAE | CAQ | NAB | HNAA | 60.0° | 180.0° |
| CAE | CAQ | CAF | HAF | 179.7° | 180.0° |
| CAQ | CAE | CAG | HAG | 179.6° | 180.0° |
| CAH | CAF | CAQ | HAF | 180.0° | 179.9° |
| CAF | CAH | CAR | CAG | 1.0° | 0.0° |
| CAF | CAH | CAR | HAH | 180.0° | 180.0° |
| CAF | CAH | CAR | CAK | 179.6° | 180.0° |
| CAQ | CAF | CAH | CAR | 1.0° | 0.1° |
| CAF | CAQ | NAB | HNAB | 0.4° | 180.0° |
| CAF | CAQ | NAB | HNAA | 120.4° | 0.1° |
| CAF | CAQ | CAE | HAE | 179.6° | 179.8° |
| CAQ | CAF | CAH | HAH | 179.0° | 180.0° |
| CAG | CAR | CAH | CAK | 179.4° | 180.0° |
| CAG | CAR | CAK | NAM | 42.3° | 90.0° |
| CAR | CAG | CAE | HAE | 179.6° | 179.8° |
| CAG | CAR | CAH | HAH | 179.0° | 180.0° |
| CAG | CAR | CAK | HAK | 162.3° | 30.0° |
| CAG | CAR | CAK | HAKA | 77.7° | 150.0° |
| CAH | CAR | CAK | NAM | 137.1° | 90.1° |
| CAR | CAH | CAF | HAF | 179.0° | 180.0° |
| CAH | CAR | CAG | HAG | 179.7° | 180.0° |
| CAH | CAR | CAK | HAK | 17.2° | 150.0° |
| CAH | CAR | CAK | HAKA | 102.8° | 30.0° |
| OAN | CAI | CAA | HAAA | 180.0° | 180.0° |
| OAN | CAI | CAA | HAAB | 60.0° | 60.0° |
| OAN | CAI | CAA | HAAC | 60.0° | 60.1° |
| OAN | CAI | HAI | HAIA | 121.9° | 120.0° |
| NAM | CAK | CAR | HAK | 120.0° | 119.9° |
| NAM | CAK | CAR | HAKA | 120.0° | 120.0° |
| CAK | NAM | CAO | HNAM | 180.0° | 180.0° |
| NAM | CAK | HAK | HAKA | 120.5° | 120.0° |
| CAR | CAK | NAM | CAO | 118.1° | 180.0° |
| CAK | CAR | CAG | HAG | 0.3° | 0.0° |
| CAK | CAR | CAH | HAH | 0.4° | 0.0° |
| CAR | CAK | HAK | HAKA | 120.5° | 120.0° |
| CAR | CAK | NAM | HNAM | 61.9° | 0.1° |
| NAM | CAO | N | HN | 0.3° | 0.0° |
| CAO | NAM | CAK | HAK | 121.8° | 60.0° |
| CAO | NAM | CAK | HAKA | 1.9° | 60.0° |
| HN | N | CA | HA | 38.2° | 120.0° |
| HN | N | CA | HAA | 158.2° | 120.0° |
| HAAA | CAA | HAAB | HAAC | 120.0° | 120.0° |
| HAAA | CAA | CAI | HAI | 60.0° | 60.0° |
| HAAA | CAA | CAI | HAIA | 60.0° | 60.0° |
| HAAB | CAA | CAI | HAI | 60.0° | 60.0° |
| HAAB | CAA | CAI | HAIA | 179.9° | 180.0° |
| HAAC | CAA | CAI | HAI | 180.0° | 180.0° |
| HAAC | CAA | CAI | HAIA | 60.0° | 59.9° |
| HAE | CAE | CAG | HAG | 0.4° | 0.2° |
| HAF | CAF | CAH | HAH | 1.0° | 0.1° |
| HAK | CAK | NAM | HNAM | 58.1° | 120.0° |
| HAKA | CAK | NAM | HNAM | 178.1° | 120.0° |
