BF7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O | doub | 1.21Å | 1.27Å | |
C | CA | sing | 1.51Å | 1.51Å | |
N | CA | sing | 1.47Å | 1.46Å | |
CA | CB | sing | 1.53Å | 1.52Å | |
CB | CG | sing | 1.51Å | 1.52Å | |
CG | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
CD2 | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
CD1 | CE1 | doub | 1.38Å | 1.38Å | Aromatic |
CE2 | CZ | doub | 1.38Å | 1.37Å | Aromatic |
CE1 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
CZ | BR | sing | 1.89Å | 1.95Å | |
C | OXT | sing | 1.34Å | 1.32Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 119.6° | 120.0° |
O | C | OXT | 121.1° | 120.0° |
C | CA | N | 111.1° | 109.5° |
C | CA | CB | 111.2° | 109.5° |
CA | C | OXT | 119.2° | 120.0° |
C | CA | HA | 108.6° | 109.5° |
N | CA | CB | 107.9° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 109.4° | 109.4° |
CA | CB | CG | 114.5° | 109.5° |
CB | CA | HA | 108.6° | 109.5° |
CA | CB | HB2 | 108.2° | 109.4° |
CA | CB | HB3 | 108.2° | 109.5° |
CB | CG | CD2 | 118.1° | 120.0° |
CB | CG | CD1 | 122.2° | 120.0° |
CG | CB | HB2 | 108.2° | 109.5° |
CG | CB | HB3 | 108.2° | 109.4° |
CD2 | CG | CD1 | 119.7° | 120.0° |
CG | CD2 | CE2 | 120.3° | 120.0° |
CG | CD2 | HD2 | 119.9° | 120.1° |
CG | CD1 | CE1 | 120.2° | 120.0° |
CG | CD1 | HD1 | 119.9° | 120.0° |
CD2 | CE2 | CZ | 119.7° | 120.0° |
CE2 | CD2 | HD2 | 119.9° | 120.0° |
CD2 | CE2 | HE2 | 120.1° | 120.0° |
CD1 | CE1 | CZ | 118.9° | 120.0° |
CE1 | CD1 | HD1 | 119.9° | 120.0° |
CD1 | CE1 | HE1 | 120.5° | 120.0° |
CE2 | CZ | CE1 | 121.1° | 120.0° |
CE2 | CZ | BR | 118.6° | 120.0° |
CZ | CE2 | HE2 | 120.1° | 120.0° |
CE1 | CZ | BR | 120.3° | 120.0° |
CZ | CE1 | HE1 | 120.6° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
H | N | H2 | 109.5° | 111.0° |
HB2 | CB | HB3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 179.4° | 179.9° |
O | C | CA | N | 137.4° | 20.1° |
O | C | CA | CB | 102.5° | 99.9° |
O | C | CA | HA | 16.9° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
C | CA | N | CB | 122.1° | 120.0° |
C | CA | N | HA | 119.9° | 120.0° |
C | CA | CB | HA | 119.5° | 120.0° |
C | CA | CB | CG | 52.5° | 175.0° |
C | CA | N | H | 180.0° | 176.0° |
C | CA | N | H2 | 60.0° | 60.0° |
C | CA | CB | HB2 | 68.2° | 55.0° |
C | CA | CB | HB3 | 173.3° | 65.0° |
CA | C | OXT | HXT | 179.4° | 180.0° |
N | CA | CB | HA | 118.5° | 120.0° |
N | CA | CB | CG | 174.5° | 65.0° |
N | CA | C | OXT | 42.0° | 160.0° |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | CB | HB2 | 53.8° | 175.0° |
N | CA | CB | HB3 | 64.7° | 55.0° |
CA | CB | CG | HB2 | 120.8° | 120.0° |
CA | CB | CG | HB3 | 120.7° | 120.0° |
CA | CB | CG | CD2 | 133.3° | 90.0° |
CA | CB | CG | CD1 | 46.6° | 89.7° |
CB | CA | C | OXT | 78.1° | 80.0° |
CB | CA | N | H | 57.9° | 63.9° |
CB | CA | N | H2 | 62.1° | 60.0° |
CA | CB | HB2 | HB3 | 117.7° | 120.0° |
CB | CG | CD2 | CD1 | 179.9° | 179.7° |
CB | CG | CD2 | CE2 | 179.2° | 179.9° |
CB | CG | CD1 | CE1 | 179.6° | 180.0° |
CG | CB | CA | HA | 66.9° | 55.0° |
CG | CB | HB2 | HB3 | 117.7° | 120.0° |
CB | CG | CD1 | HD1 | 0.4° | 0.1° |
CB | CG | CD2 | HD2 | 0.8° | 0.1° |
CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
CD2 | CG | CD1 | CE1 | 0.4° | 0.3° |
CG | CD2 | CE2 | CZ | 1.2° | 0.0° |
CD2 | CG | CB | HB2 | 12.6° | 30.0° |
CD2 | CG | CB | HB3 | 105.9° | 150.1° |
CD2 | CG | CD1 | HD1 | 179.6° | 179.7° |
CG | CD2 | CE2 | HE2 | 178.8° | 180.0° |
CD1 | CG | CD2 | CE2 | 0.9° | 0.3° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CG | CD1 | CE1 | CZ | 0.3° | 0.0° |
CD1 | CG | CB | HB2 | 167.3° | 150.3° |
CD1 | CG | CB | HB3 | 74.1° | 30.2° |
CD1 | CG | CD2 | HD2 | 179.1° | 179.8° |
CG | CD1 | CE1 | HE1 | 179.7° | 180.0° |
CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
CD2 | CE2 | CZ | CE1 | 1.0° | 0.3° |
CD2 | CE2 | CZ | BR | 179.3° | 179.9° |
CD1 | CE1 | CZ | CE2 | 0.6° | 0.3° |
CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
CD1 | CE1 | CZ | BR | 178.8° | 180.0° |
CE2 | CZ | CE1 | BR | 178.3° | 179.7° |
CZ | CE2 | CD2 | HD2 | 178.8° | 179.9° |
CE2 | CZ | CE1 | HE1 | 179.5° | 179.7° |
CZ | CE1 | CD1 | HD1 | 179.7° | 180.0° |
CE1 | CZ | CE2 | HE2 | 179.0° | 179.7° |
BR | CZ | CE1 | HE1 | 1.2° | 0.0° |
BR | CZ | CE2 | HE2 | 0.7° | 0.0° |
OXT | C | CA | HA | 162.5° | 40.1° |
H | N | CA | HA | 60.0° | 56.1° |
H2 | N | CA | HA | 180.0° | 180.0° |
HA | CA | CB | HB2 | 172.3° | 65.0° |
HA | CA | CB | HB3 | 53.8° | 174.9° |
HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
HD2 | CD2 | CE2 | HE2 | 1.2° | 0.1° |