7W2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FZ1 | CZ1 | sing | 1.35Å | 1.36Å | |
CE1 | CZ1 | doub | 1.39Å | 1.38Å | Aromatic |
CE1 | CD | sing | 1.38Å | 1.39Å | Aromatic |
CZ1 | CH | sing | 1.38Å | 1.38Å | Aromatic |
FT3 | CT | sing | 1.40Å | 1.33Å | |
C | CA | sing | 1.51Å | 1.54Å | |
C | O | doub | 1.21Å | 1.23Å | |
CB | CA | sing | 1.53Å | 1.54Å | |
CB | CG | sing | 1.53Å | 1.54Å | |
FT1 | CT | sing | 1.40Å | 1.34Å | |
CA | N | sing | 1.47Å | 1.45Å | |
CG | CD | sing | 1.51Å | 1.51Å | |
CD | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
CH | CT | sing | 1.51Å | 1.52Å | |
CH | CZ2 | doub | 1.38Å | 1.38Å | Aromatic |
CT | FT2 | sing | 1.40Å | 1.32Å | |
CE2 | CZ2 | sing | 1.38Å | 1.37Å | Aromatic |
CZ2 | FZ2 | sing | 1.35Å | 1.35Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
N | H | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | H6 | sing | 1.09Å | 1.10Å | |
CB | H7 | sing | 1.09Å | 1.10Å | |
CG | H8 | sing | 1.09Å | 1.10Å | |
CG | H9 | sing | 1.09Å | 1.10Å | |
CE1 | H10 | sing | 1.08Å | 1.08Å | |
CE2 | H11 | sing | 1.08Å | 1.08Å | |
C | OXT | sing | 1.34Å | 1.35Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FZ1 | CZ1 | CE1 | 117.9° | 120.0° |
FZ1 | CZ1 | CH | 119.3° | 120.0° |
CZ1 | CE1 | CD | 119.5° | 120.0° |
CE1 | CZ1 | CH | 122.7° | 120.0° |
CZ1 | CE1 | H10 | 120.2° | 120.0° |
CE1 | CD | CG | 120.4° | 120.0° |
CE1 | CD | CE2 | 119.0° | 120.0° |
CD | CE1 | H10 | 120.2° | 120.0° |
CZ1 | CH | CT | 120.6° | 120.0° |
CZ1 | CH | CZ2 | 116.1° | 119.9° |
FT3 | CT | FT1 | 106.2° | 109.5° |
FT3 | CT | CH | 113.3° | 109.5° |
FT3 | CT | FT2 | 106.0° | 109.5° |
CA | C | O | 119.6° | 120.0° |
C | CA | CB | 108.7° | 109.5° |
C | CA | N | 110.0° | 109.5° |
C | CA | HA | 108.8° | 109.5° |
CA | C | OXT | 118.8° | 120.0° |
O | C | OXT | 121.4° | 120.0° |
CA | CB | CG | 115.2° | 109.5° |
CB | CA | N | 110.6° | 109.5° |
CB | CA | HA | 108.8° | 109.5° |
CA | CB | H6 | 108.0° | 109.5° |
CA | CB | H7 | 108.1° | 109.5° |
CB | CG | CD | 110.1° | 109.4° |
CG | CB | H6 | 108.0° | 109.5° |
CG | CB | H7 | 108.0° | 109.5° |
CB | CG | H8 | 109.3° | 109.5° |
CB | CG | H9 | 109.3° | 109.5° |
FT1 | CT | CH | 111.5° | 109.5° |
FT1 | CT | FT2 | 105.7° | 109.5° |
CA | N | H2 | 109.5° | 111.0° |
CA | N | H | 109.5° | 110.9° |
N | CA | HA | 109.9° | 109.5° |
CG | CD | CE2 | 119.7° | 120.0° |
CD | CG | H8 | 109.3° | 109.5° |
CD | CG | H9 | 109.3° | 109.4° |
CD | CE2 | CZ2 | 119.5° | 120.0° |
CD | CE2 | H11 | 120.2° | 120.0° |
CT | CH | CZ2 | 122.9° | 120.0° |
CH | CT | FT2 | 113.5° | 109.5° |
CH | CZ2 | CE2 | 122.8° | 120.0° |
CH | CZ2 | FZ2 | 120.1° | 120.0° |
CE2 | CZ2 | FZ2 | 117.0° | 120.0° |
CZ2 | CE2 | H11 | 120.3° | 120.0° |
H2 | N | H | 109.5° | 111.1° |
H6 | CB | H7 | 109.4° | 109.5° |
H8 | CG | H9 | 109.5° | 109.5° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FZ1 | CZ1 | CE1 | CH | 179.0° | 180.0° |
FZ1 | CZ1 | CE1 | CD | 177.2° | 180.0° |
FZ1 | CZ1 | CH | CT | 7.0° | 0.0° |
FZ1 | CZ1 | CH | CZ2 | 179.8° | 179.7° |
FZ1 | CZ1 | CE1 | H10 | 2.8° | 0.1° |
CZ1 | CE1 | CD | H10 | 180.0° | 179.9° |
CZ1 | CE1 | CD | CG | 174.8° | 180.0° |
CZ1 | CE1 | CD | CE2 | 5.7° | 0.2° |
CE1 | CZ1 | CH | CT | 174.1° | 179.9° |
CE1 | CZ1 | CH | CZ2 | 1.3° | 0.3° |
CD | CE1 | CZ1 | CH | 1.8° | 0.0° |
CE1 | CD | CG | CB | 73.2° | 89.7° |
CE1 | CD | CG | CE2 | 169.1° | 179.8° |
CE1 | CD | CE2 | CZ2 | 6.5° | 0.2° |
CE1 | CD | CG | H8 | 46.9° | 150.2° |
CE1 | CD | CG | H9 | 166.7° | 30.2° |
CE1 | CD | CE2 | H11 | 173.5° | 179.8° |
CZ1 | CH | CT | FT3 | 50.3° | 150.0° |
CZ1 | CH | CT | FT1 | 69.5° | 30.0° |
CZ1 | CH | CT | CZ2 | 172.3° | 179.7° |
CZ1 | CH | CT | FT2 | 171.2° | 90.0° |
CZ1 | CH | CZ2 | CE2 | 0.4° | 0.4° |
CZ1 | CH | CZ2 | FZ2 | 175.5° | 179.8° |
CH | CZ1 | CE1 | H10 | 178.2° | 180.0° |
FT3 | CT | FT1 | CH | 123.9° | 120.0° |
FT3 | CT | FT1 | FT2 | 112.3° | 120.1° |
FT3 | CT | CH | FT2 | 120.9° | 120.0° |
FT3 | CT | CH | CZ2 | 137.4° | 30.3° |
CA | C | O | OXT | 174.6° | 179.9° |
C | CA | CB | N | 120.8° | 120.0° |
C | CA | CB | HA | 118.3° | 120.0° |
C | CA | CB | CG | 176.4° | 175.0° |
C | CA | N | HA | 119.7° | 120.0° |
C | CA | N | H2 | 180.0° | 63.9° |
C | CA | N | H | 60.0° | 60.0° |
C | CA | CB | H6 | 55.5° | 65.0° |
C | CA | CB | H7 | 62.8° | 55.0° |
CA | C | OXT | HXT | 174.6° | 180.0° |
O | C | CA | CB | 59.1° | 100.0° |
O | C | CA | N | 62.2° | 20.0° |
O | C | CA | HA | 177.4° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
CA | CB | CG | H6 | 120.8° | 120.0° |
CA | CB | CG | H7 | 120.9° | 120.0° |
CB | CA | N | HA | 120.2° | 120.0° |
CA | CB | CG | CD | 172.4° | 180.0° |
CB | CA | N | H2 | 59.9° | 176.1° |
CB | CA | N | H | 180.0° | 60.0° |
CA | CB | H6 | H7 | 117.4° | 120.0° |
CA | CB | CG | H8 | 67.6° | 60.0° |
CA | CB | CG | H9 | 52.2° | 60.1° |
CB | CA | C | OXT | 115.6° | 80.0° |
CG | CB | CA | N | 55.6° | 65.0° |
CB | CG | CD | H8 | 120.1° | 120.0° |
CB | CG | CD | H9 | 120.1° | 120.0° |
CB | CG | CD | CE2 | 95.9° | 90.0° |
CG | CB | CA | HA | 65.3° | 55.0° |
CG | CB | H6 | H7 | 117.4° | 120.0° |
CB | CG | H8 | H9 | 119.7° | 120.1° |
FT1 | CT | CH | FT2 | 119.3° | 120.0° |
FT1 | CT | CH | CZ2 | 102.8° | 150.3° |
CA | N | H2 | H | 120.0° | 123.9° |
N | CA | CB | H6 | 65.3° | 55.0° |
N | CA | CB | H7 | 176.4° | 175.0° |
N | CA | C | OXT | 123.1° | 160.0° |
CG | CD | CE2 | CZ2 | 175.7° | 180.0° |
CD | CG | CB | H6 | 51.5° | 60.0° |
CD | CG | CB | H7 | 66.8° | 60.0° |
CD | CG | H8 | H9 | 119.7° | 119.9° |
CG | CD | CE1 | H10 | 5.2° | 0.1° |
CG | CD | CE2 | H11 | 4.3° | 0.0° |
CD | CE2 | CZ2 | CH | 3.5° | 0.1° |
CD | CE2 | CZ2 | H11 | 180.0° | 180.0° |
CD | CE2 | CZ2 | FZ2 | 179.6° | 180.0° |
CE2 | CD | CG | H8 | 144.0° | 30.0° |
CE2 | CD | CG | H9 | 24.2° | 150.0° |
CE2 | CD | CE1 | H10 | 174.3° | 179.7° |
CT | CH | CZ2 | CE2 | 173.0° | 179.9° |
CT | CH | CZ2 | FZ2 | 2.9° | 0.1° |
CZ2 | CH | CT | FT2 | 16.5° | 89.8° |
CH | CZ2 | CE2 | FZ2 | 176.1° | 179.9° |
CH | CZ2 | CE2 | H11 | 176.5° | 179.9° |
FZ2 | CZ2 | CE2 | H11 | 0.4° | 0.1° |
H2 | N | CA | HA | 60.3° | 56.1° |
H | N | CA | HA | 59.8° | 180.0° |
HA | CA | CB | H6 | 173.9° | 175.0° |
HA | CA | CB | H7 | 55.6° | 65.0° |
HA | CA | C | OXT | 2.7° | 40.0° |
H6 | CB | CG | H8 | 171.6° | 180.0° |
H6 | CB | CG | H9 | 68.6° | 59.9° |
H7 | CB | CG | H8 | 53.3° | 60.0° |
H7 | CB | CG | H9 | 173.1° | 180.0° |