2HF
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 | 1.51Å | |
C | OXT | sing | 1.34Å | 1.43Å | |
N | CA | sing | 1.47Å | 1.47Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
F1 | CE1 | sing | 1.35Å | 1.40Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | CG | sing | 1.51Å | 1.52Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
CB | HBA | sing | 1.09Å | 1.10Å | |
CG | ND1 | sing | 1.34Å | 1.35Å | Aromatic |
CG | CD2 | doub | 1.34Å | 1.40Å | Aromatic |
ND1 | CE1 | doub | 1.31Å | 1.34Å | Aromatic |
ND1 | HND1 | sing | 0.97Å | 1.00Å | |
CD2 | NE2 | sing | 1.37Å | 1.35Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | NE2 | sing | 1.35Å | 1.33Å | Aromatic |
NE2 | HE2 | sing | 0.97Å | 1.00Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 120.3° | 119.9° |
O | C | OXT | 119.9° | 120.0° |
CA | C | OXT | 119.8° | 120.1° |
C | CA | N | 113.9° | 109.5° |
C | CA | CB | 107.6° | 109.5° |
C | CA | HA | 107.4° | 109.4° |
C | OXT | HXT | 109.5° | 117.0° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | CB | 108.3° | 109.5° |
N | CA | HA | 106.7° | 109.5° |
H | N | H2 | 109.4° | 111.0° |
F1 | CE1 | ND1 | 123.9° | 125.7° |
F1 | CE1 | NE2 | 122.0° | 125.7° |
CB | CA | HA | 113.1° | 109.5° |
CA | CB | CG | 112.9° | 109.5° |
CA | CB | HB | 108.4° | 109.5° |
CA | CB | HBA | 108.4° | 109.4° |
CG | CB | HB | 108.4° | 109.5° |
CG | CB | HBA | 108.3° | 109.5° |
CB | CG | ND1 | 126.8° | 125.9° |
CB | CG | CD2 | 125.3° | 126.0° |
HB | CB | HBA | 110.6° | 109.4° |
ND1 | CG | CD2 | 107.9° | 108.0° |
CG | ND1 | CE1 | 104.8° | 109.3° |
CG | ND1 | HND1 | 127.6° | 125.4° |
CG | CD2 | NE2 | 107.9° | 106.9° |
CG | CD2 | HD2 | 126.0° | 126.5° |
CE1 | ND1 | HND1 | 127.6° | 125.3° |
ND1 | CE1 | NE2 | 114.1° | 108.6° |
NE2 | CD2 | HD2 | 126.1° | 126.6° |
CD2 | NE2 | CE1 | 105.3° | 107.2° |
CD2 | NE2 | HE2 | 127.4° | 126.4° |
CE1 | NE2 | HE2 | 127.4° | 126.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 180.0° | 179.7° |
O | C | CA | N | 164.0° | 20.1° |
O | C | CA | CB | 43.9° | 100.0° |
O | C | CA | HA | 78.1° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
C | CA | N | CB | 119.7° | 120.1° |
C | CA | N | HA | 118.3° | 119.9° |
C | CA | N | H | 180.0° | 60.1° |
C | CA | N | H2 | 60.0° | 176.0° |
C | CA | CB | HA | 118.4° | 119.9° |
C | CA | CB | CG | 175.5° | 174.9° |
C | CA | CB | HB | 64.5° | 65.0° |
C | CA | CB | HBA | 55.5° | 54.9° |
CA | C | OXT | HXT | 180.0° | 179.7° |
OXT | C | CA | N | 16.0° | 160.3° |
OXT | C | CA | CB | 136.1° | 79.7° |
OXT | C | CA | HA | 101.9° | 40.3° |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | CB | HA | 118.0° | 120.0° |
N | CA | CB | CG | 60.9° | 65.0° |
N | CA | CB | HB | 59.1° | 55.0° |
N | CA | CB | HBA | 179.1° | 175.0° |
H | N | CA | CB | 60.3° | 60.0° |
H | N | CA | HA | 61.7° | 180.0° |
H2 | N | CA | CB | 179.7° | 64.0° |
H2 | N | CA | HA | 58.2° | 56.1° |
F1 | CE1 | ND1 | CG | 179.6° | 180.0° |
F1 | CE1 | ND1 | NE2 | 180.0° | 179.9° |
F1 | CE1 | ND1 | HND1 | 0.4° | 0.0° |
F1 | CE1 | NE2 | CD2 | 179.7° | 179.9° |
F1 | CE1 | NE2 | HE2 | 0.3° | 0.1° |
CA | CB | CG | HB | 120.0° | 120.1° |
CA | CB | CG | HBA | 120.0° | 120.0° |
CA | CB | HB | HBA | 118.6° | 119.9° |
CA | CB | CG | ND1 | 98.9° | 95.0° |
CA | CB | CG | CD2 | 80.3° | 85.3° |
HA | CA | CB | CG | 57.1° | 55.0° |
HA | CA | CB | HB | 177.1° | 175.0° |
HA | CA | CB | HBA | 62.9° | 65.0° |
CG | CB | HB | HBA | 118.6° | 120.0° |
CB | CG | ND1 | CD2 | 179.3° | 179.7° |
CB | CG | ND1 | CE1 | 179.6° | 180.0° |
CB | CG | ND1 | HND1 | 0.4° | 0.1° |
CB | CG | CD2 | NE2 | 179.5° | 180.0° |
CB | CG | CD2 | HD2 | 0.5° | 0.0° |
HB | CB | CG | ND1 | 141.2° | 25.0° |
HB | CB | CG | CD2 | 39.7° | 154.7° |
HBA | CB | CG | ND1 | 21.1° | 145.0° |
HBA | CB | CG | CD2 | 159.7° | 34.7° |
CG | ND1 | CE1 | HND1 | 180.0° | 179.9° |
ND1 | CG | CD2 | NE2 | 0.2° | 0.3° |
ND1 | CG | CD2 | HD2 | 179.8° | 179.7° |
CG | ND1 | CE1 | NE2 | 0.4° | 0.1° |
CD2 | CG | ND1 | CE1 | 0.4° | 0.2° |
CD2 | CG | ND1 | HND1 | 179.6° | 179.8° |
CG | CD2 | NE2 | HD2 | 180.0° | 180.0° |
CG | CD2 | NE2 | CE1 | 0.0° | 0.2° |
CG | CD2 | NE2 | HE2 | 180.0° | 180.0° |
ND1 | CE1 | NE2 | CD2 | 0.3° | 0.0° |
ND1 | CE1 | NE2 | HE2 | 179.8° | 179.8° |
HND1 | ND1 | CE1 | NE2 | 179.6° | 179.9° |
CD2 | NE2 | CE1 | HE2 | 180.0° | 179.8° |
HD2 | CD2 | NE2 | CE1 | 180.0° | 179.8° |
HD2 | CD2 | NE2 | HE2 | 0.0° | 0.0° |