1FP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAB | doub | 1.21Å | 1.23Å | |
CAB | NAH | sing | 1.35Å | 1.34Å | |
CAC | CAE | sing | 1.53Å | 1.53Å | |
CAC | NAG | sing | 1.47Å | 1.47Å | |
CAD | CAF | sing | 1.53Å | 1.53Å | |
CAD | NAG | sing | 1.47Å | 1.47Å | |
CAE | NAH | sing | 1.47Å | 1.49Å | |
CAF | NAH | sing | 1.47Å | 1.49Å | |
CAB | HAB | sing | 1.08Å | 1.08Å | |
CAC | HAC | sing | 1.09Å | 1.10Å | |
CAC | HACA | sing | 1.09Å | 1.10Å | |
CAD | HAD | sing | 1.09Å | 1.10Å | |
CAD | HADA | sing | 1.09Å | 1.10Å | |
CAE | HAE | sing | 1.09Å | 1.10Å | |
CAE | HAEA | sing | 1.09Å | 1.10Å | |
CAF | HAF | sing | 1.09Å | 1.10Å | |
CAF | HAFA | sing | 1.09Å | 1.10Å | |
NAG | HNAG | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAB | NAH | 122.3° | 120.0° |
OAA | CAB | HAB | 118.9° | 120.0° |
CAB | NAH | CAE | 121.1° | 120.9° |
CAB | NAH | CAF | 119.3° | 120.9° |
NAH | CAB | HAB | 118.8° | 120.0° |
CAE | CAC | NAG | 111.2° | 109.4° |
CAC | CAE | NAH | 109.0° | 108.6° |
CAE | CAC | HAC | 108.9° | 109.5° |
CAE | CAC | HACA | 108.9° | 109.6° |
CAC | CAE | HAE | 109.7° | 109.6° |
CAC | CAE | HAEA | 109.6° | 109.6° |
CAC | NAG | CAD | 109.6° | 111.3° |
NAG | CAC | HAC | 108.9° | 109.4° |
NAG | CAC | HACA | 108.9° | 109.5° |
CAC | NAG | HNAG | 109.4° | 111.1° |
CAF | CAD | NAG | 107.5° | 109.3° |
CAD | CAF | NAH | 109.6° | 108.5° |
CAF | CAD | HAD | 110.1° | 109.5° |
CAF | CAD | HADA | 110.2° | 109.5° |
CAD | CAF | HAF | 109.4° | 109.6° |
CAD | CAF | HAFA | 109.4° | 109.7° |
NAG | CAD | HAD | 110.1° | 109.5° |
NAG | CAD | HADA | 110.1° | 109.5° |
CAD | NAG | HNAG | 109.4° | 111.0° |
CAE | NAH | CAF | 119.6° | 118.2° |
NAH | CAE | HAE | 109.6° | 109.6° |
NAH | CAE | HAEA | 109.7° | 109.7° |
NAH | CAF | HAF | 109.4° | 109.6° |
NAH | CAF | HAFA | 109.4° | 109.6° |
HAC | CAC | HACA | 110.1° | 109.5° |
HAD | CAD | HADA | 108.8° | 109.6° |
HAE | CAE | HAEA | 109.3° | 109.7° |
HAF | CAF | HAFA | 109.5° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAB | NAH | HAB | 180.0° | 179.7° |
OAA | CAB | NAH | CAE | 0.6° | 180.0° |
OAA | CAB | NAH | CAF | 180.0° | 0.1° |
CAB | NAH | CAE | CAC | 138.9° | 128.8° |
CAB | NAH | CAF | CAD | 134.8° | 128.8° |
CAB | NAH | CAE | CAF | 179.4° | 180.0° |
CAB | NAH | CAE | HAE | 18.9° | 111.4° |
CAB | NAH | CAE | HAEA | 101.1° | 9.1° |
CAB | NAH | CAF | HAF | 105.2° | 9.1° |
CAB | NAH | CAF | HAFA | 14.8° | 111.4° |
CAE | CAC | NAG | HAC | 120.0° | 120.0° |
CAE | CAC | NAG | HACA | 120.0° | 120.0° |
CAE | CAC | NAG | CAD | 65.7° | 63.1° |
CAC | CAE | NAH | HAE | 120.0° | 119.7° |
CAC | CAE | NAH | HAEA | 120.0° | 119.7° |
CAC | CAE | NAH | CAF | 41.7° | 51.2° |
CAE | CAC | HAC | HACA | 119.3° | 120.1° |
CAC | CAE | HAE | HAEA | 120.2° | 120.4° |
CAE | CAC | NAG | HNAG | 54.3° | 172.7° |
CAC | NAG | CAD | CAF | 67.8° | 63.1° |
CAC | NAG | CAD | HNAG | 120.0° | 124.2° |
NAG | CAC | CAE | NAH | 49.2° | 53.8° |
NAG | CAC | HAC | HACA | 119.3° | 120.0° |
CAC | NAG | CAD | HAD | 52.2° | 177.0° |
CAC | NAG | CAD | HADA | 172.2° | 56.9° |
NAG | CAC | CAE | HAE | 169.3° | 65.9° |
NAG | CAC | CAE | HAEA | 70.8° | 173.6° |
CAF | CAD | NAG | HAD | 120.0° | 119.9° |
CAF | CAD | NAG | HADA | 120.0° | 119.9° |
CAD | CAF | NAH | CAE | 45.8° | 51.2° |
CAD | CAF | NAH | HAF | 120.0° | 119.7° |
CAD | CAF | NAH | HAFA | 120.0° | 119.7° |
CAF | CAD | HAD | HADA | 120.8° | 120.1° |
CAD | CAF | HAF | HAFA | 119.9° | 120.5° |
CAF | CAD | NAG | HNAG | 52.2° | 172.7° |
NAG | CAD | CAF | NAH | 55.5° | 53.8° |
CAD | NAG | CAC | HAC | 174.4° | 56.9° |
CAD | NAG | CAC | HACA | 54.3° | 176.9° |
NAG | CAD | HAD | HADA | 120.8° | 120.1° |
NAG | CAD | CAF | HAF | 64.5° | 173.6° |
NAG | CAD | CAF | HAFA | 175.5° | 65.9° |
CAE | NAH | CAB | HAB | 179.4° | 0.3° |
NAH | CAE | CAC | HAC | 169.2° | 66.1° |
NAH | CAE | CAC | HACA | 70.7° | 173.8° |
NAH | CAE | HAE | HAEA | 120.2° | 120.5° |
CAE | NAH | CAF | HAF | 74.2° | 170.9° |
CAE | NAH | CAF | HAFA | 165.8° | 68.5° |
CAF | NAH | CAB | HAB | 0.0° | 179.7° |
NAH | CAF | CAD | HAD | 64.5° | 173.8° |
NAH | CAF | CAD | HADA | 175.5° | 66.1° |
CAF | NAH | CAE | HAE | 161.7° | 68.5° |
CAF | NAH | CAE | HAEA | 78.3° | 170.9° |
NAH | CAF | HAF | HAFA | 120.0° | 120.5° |
HAC | CAC | CAE | HAE | 70.7° | 174.2° |
HAC | CAC | CAE | HAEA | 49.2° | 53.7° |
HAC | CAC | NAG | HNAG | 65.7° | 67.3° |
HACA | CAC | CAE | HAE | 49.3° | 54.0° |
HACA | CAC | CAE | HAEA | 169.3° | 66.5° |
HACA | CAC | NAG | HNAG | 174.3° | 52.7° |
HAD | CAD | CAF | HAF | 175.5° | 66.5° |
HAD | CAD | CAF | HAFA | 55.5° | 54.1° |
HAD | CAD | NAG | HNAG | 172.2° | 52.8° |
HADA | CAD | CAF | HAF | 55.5° | 53.6° |
HADA | CAD | CAF | HAFA | 64.4° | 174.2° |
HADA | CAD | NAG | HNAG | 67.8° | 67.3° |