NAK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OXT | C | sing | 1.22Å | 1.23Å | |
C | O | doub | 1.22Å | 1.23Å | |
C | CA | sing | 1.48Å | 1.53Å | |
CA | CAE | sing | 1.51Å | 1.39Å | |
CA | N | doub | 1.28Å | 1.33Å | |
CAE | HAE1 | sing | 1.09Å | 1.11Å | |
CAE | HAE2 | sing | 1.09Å | 1.12Å | |
CAE | HAE3 | sing | 1.09Å | 1.11Å | |
N | H | sing | 0.97Å | 1.02Å | |
N | H3 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OXT | C | O | 118.7° | 120.0° |
OXT | C | CA | 119.9° | 120.0° |
O | C | CA | 121.4° | 120.0° |
C | CA | CAE | 120.3° | 120.0° |
C | CA | N | 118.3° | 120.0° |
CAE | CA | N | 121.3° | 120.0° |
CA | CAE | HAE1 | 108.3° | 109.5° |
CA | CAE | HAE2 | 120.4° | 109.5° |
CA | CAE | HAE3 | 108.3° | 109.5° |
CA | N | H | 118.3° | 120.0° |
CA | N | H3 | 121.3° | 120.0° |
HAE1 | CAE | HAE2 | 108.3° | 109.5° |
HAE1 | CAE | HAE3 | 101.6° | 109.5° |
HAE2 | CAE | HAE3 | 108.4° | 109.5° |
H | N | H3 | 120.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OXT | C | O | CA | 179.3° | 180.0° |
OXT | C | CA | CAE | 178.1° | 0.0° |
OXT | C | CA | N | 0.7° | 180.0° |
O | C | CA | CAE | 1.2° | 180.0° |
O | C | CA | N | 178.6° | 0.0° |
C | CA | CAE | N | 177.3° | 180.0° |
C | CA | CAE | HAE1 | 54.8° | 90.0° |
C | CA | CAE | HAE2 | 180.0° | 30.0° |
C | CA | CAE | HAE3 | 54.7° | 150.0° |
C | CA | N | H | 180.0° | 0.0° |
C | CA | N | H3 | 2.7° | 180.0° |
CA | CAE | HAE1 | HAE2 | 132.1° | 120.0° |
CA | CAE | HAE1 | HAE3 | 113.9° | 120.0° |
CA | CAE | HAE2 | HAE3 | 125.3° | 120.0° |
CAE | CA | N | H | 2.7° | 180.0° |
CAE | CA | N | H3 | 180.0° | 0.0° |
N | CA | CAE | HAE1 | 128.0° | 90.0° |
N | CA | CAE | HAE2 | 2.8° | 150.0° |
N | CA | CAE | HAE3 | 122.5° | 30.0° |
CA | N | H | H3 | 177.3° | 180.0° |
HAE1 | CAE | HAE2 | HAE3 | 109.5° | 120.0° |