FXL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CE2 | CD2 | doub | 1.38Å | 1.37Å | Aromatic |
CE2 | CZ | sing | 1.38Å | 1.35Å | Aromatic |
CD2 | CG | sing | 1.38Å | 1.37Å | Aromatic |
CZ | CE1 | doub | 1.38Å | 1.36Å | Aromatic |
CG | CB | sing | 1.51Å | 1.51Å | |
CG | CD1 | doub | 1.38Å | 1.35Å | Aromatic |
CB | CA | sing | 1.53Å | 1.59Å | |
CE1 | CD1 | sing | 1.38Å | 1.36Å | Aromatic |
CE1 | CL1 | sing | 1.74Å | 1.75Å | |
CA | C | sing | 1.51Å | 1.64Å | |
CA | N | sing | 1.47Å | 1.47Å | |
O | C | doub | 1.21Å | 1.26Å | |
C | OXT | sing | 1.34Å | 1.26Å | |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
CZ | HZ | sing | 1.08Å | 1.08Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
N | H9 | sing | 1.01Å | 1.00Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CD2 | CE2 | CZ | 121.3° | 120.0° |
CE2 | CD2 | CG | 120.8° | 120.0° |
CE2 | CD2 | HD2 | 119.6° | 120.0° |
CD2 | CE2 | HE2 | 119.3° | 120.0° |
CE2 | CZ | CE1 | 117.3° | 120.0° |
CZ | CE2 | HE2 | 119.3° | 120.0° |
CE2 | CZ | HZ | 121.4° | 120.0° |
CD2 | CG | CB | 121.7° | 120.0° |
CD2 | CG | CD1 | 118.0° | 120.0° |
CG | CD2 | HD2 | 119.6° | 120.0° |
CZ | CE1 | CD1 | 122.1° | 119.9° |
CZ | CE1 | CL1 | 121.0° | 120.0° |
CE1 | CZ | HZ | 121.4° | 120.0° |
CB | CG | CD1 | 120.3° | 120.0° |
CG | CB | CA | 124.8° | 109.5° |
CG | CB | HB2 | 105.5° | 109.5° |
CG | CB | HB3 | 105.5° | 109.5° |
CG | CD1 | CE1 | 120.5° | 120.0° |
CG | CD1 | HD1 | 119.7° | 120.0° |
CB | CA | C | 130.7° | 109.5° |
CB | CA | N | 102.6° | 109.5° |
CB | CA | HA | 102.9° | 109.4° |
CA | CB | HB2 | 105.5° | 109.5° |
CA | CB | HB3 | 105.5° | 109.4° |
CD1 | CE1 | CL1 | 116.9° | 120.0° |
CE1 | CD1 | HD1 | 119.7° | 120.0° |
C | CA | N | 111.2° | 109.5° |
CA | C | O | 131.4° | 120.0° |
CA | C | OXT | 122.0° | 120.0° |
C | CA | HA | 102.6° | 109.5° |
N | CA | HA | 104.0° | 109.5° |
CA | N | H2 | 109.5° | 111.0° |
CA | N | H9 | 109.4° | 111.0° |
O | C | OXT | 106.5° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
HB2 | CB | HB3 | 109.5° | 109.4° |
H2 | N | H9 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
CE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
CD2 | CE2 | CZ | CE1 | 0.4° | 0.3° |
CE2 | CD2 | CG | CB | 180.0° | 180.0° |
CE2 | CD2 | CG | CD1 | 2.0° | 0.0° |
CD2 | CE2 | CZ | HZ | 179.6° | 179.9° |
CZ | CE2 | CD2 | CG | 0.9° | 0.0° |
CE2 | CZ | CE1 | HZ | 180.0° | 179.7° |
CE2 | CZ | CE1 | CD1 | 0.7° | 0.7° |
CE2 | CZ | CE1 | CL1 | 176.5° | 180.0° |
CZ | CE2 | CD2 | HD2 | 179.1° | 180.0° |
CD2 | CG | CB | CD1 | 178.0° | 180.0° |
CD2 | CG | CB | CA | 119.6° | 89.9° |
CD2 | CG | CD1 | CE1 | 1.8° | 0.3° |
CD2 | CG | CD1 | HD1 | 178.3° | 180.0° |
CD2 | CG | CB | HB2 | 2.4° | 150.0° |
CD2 | CG | CB | HB3 | 118.3° | 30.0° |
CG | CD2 | CE2 | HE2 | 179.1° | 180.0° |
CZ | CE1 | CD1 | CG | 0.4° | 0.7° |
CZ | CE1 | CD1 | CL1 | 177.3° | 179.4° |
CZ | CE1 | CD1 | HD1 | 179.6° | 179.7° |
CE1 | CZ | CE2 | HE2 | 179.6° | 179.7° |
CG | CB | CA | HB2 | 122.1° | 120.1° |
CG | CB | CA | HB3 | 122.1° | 120.0° |
CB | CG | CD1 | CE1 | 179.8° | 179.7° |
CG | CB | CA | C | 10.1° | 175.0° |
CG | CB | CA | N | 122.6° | 65.0° |
CB | CG | CD1 | HD1 | 0.2° | 0.0° |
CG | CB | CA | HA | 129.6° | 55.0° |
CG | CB | HB2 | HB3 | 113.1° | 120.0° |
CB | CG | CD2 | HD2 | 0.0° | 0.1° |
CD1 | CG | CB | CA | 62.4° | 90.1° |
CG | CD1 | CE1 | HD1 | 180.0° | 179.6° |
CG | CD1 | CE1 | CL1 | 177.8° | 180.0° |
CD1 | CG | CB | HB2 | 175.5° | 30.0° |
CD1 | CG | CB | HB3 | 59.7° | 150.0° |
CD1 | CG | CD2 | HD2 | 178.0° | 180.0° |
CB | CA | C | N | 129.8° | 120.0° |
CB | CA | C | HA | 119.6° | 120.0° |
CB | CA | N | HA | 107.0° | 120.0° |
CB | CA | C | O | 65.5° | 100.0° |
CB | CA | C | OXT | 118.2° | 80.0° |
CA | CB | HB2 | HB3 | 113.1° | 120.0° |
CB | CA | N | H2 | 180.0° | 60.0° |
CB | CA | N | H9 | 60.0° | 176.0° |
CD1 | CE1 | CZ | HZ | 179.3° | 179.6° |
CL1 | CE1 | CD1 | HD1 | 2.3° | 0.4° |
CL1 | CE1 | CZ | HZ | 3.4° | 0.2° |
C | CA | N | HA | 109.7° | 120.0° |
CA | C | O | OXT | 176.7° | 180.0° |
C | CA | CB | HB2 | 111.9° | 55.0° |
C | CA | CB | HB3 | 132.2° | 65.0° |
C | CA | N | H2 | 36.7° | 60.0° |
C | CA | N | H9 | 156.7° | 64.0° |
CA | C | OXT | HXT | 177.1° | 180.0° |
N | CA | C | O | 164.7° | 20.0° |
N | CA | C | OXT | 11.6° | 160.0° |
N | CA | CB | HB2 | 115.3° | 175.0° |
N | CA | CB | HB3 | 0.6° | 55.0° |
CA | N | H2 | H9 | 120.0° | 124.0° |
O | C | CA | HA | 54.1° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
OXT | C | CA | HA | 122.1° | 40.0° |
HA | CA | CB | HB2 | 7.5° | 65.0° |
HA | CA | CB | HB3 | 108.3° | 175.0° |
HA | CA | N | H2 | 73.0° | 180.0° |
HA | CA | N | H9 | 47.0° | 56.0° |
HD2 | CD2 | CE2 | HE2 | 0.9° | 0.0° |
HE2 | CE2 | CZ | HZ | 0.4° | 0.0° |