RTD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CD2 | CG2 | doub | 1.38Å | 1.39Å | Aromatic |
CD2 | CE | sing | 1.38Å | 1.39Å | Aromatic |
CG2 | CB | sing | 1.38Å | 1.40Å | Aromatic |
O1 | C | doub | 1.21Å | 1.25Å | |
CE | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
O2 | C | sing | 1.34Å | 1.25Å | |
C | CA | sing | 1.51Å | 1.59Å | |
CB | CA | sing | 1.51Å | 1.50Å | |
CB | CG1 | doub | 1.38Å | 1.40Å | Aromatic |
S1 | CA | sing | 1.81Å | 1.84Å | |
CD1 | CG1 | sing | 1.38Å | 1.39Å | Aromatic |
O2 | H1 | sing | 0.97Å | 0.95Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
S1 | H2 | sing | 1.34Å | 1.30Å | |
CG1 | HG1 | sing | 1.08Å | 1.08Å | |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CE | HE | sing | 1.08Å | 1.08Å | |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CG2 | HG2 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CG2 | CD2 | CE | 120.4° | 120.0° |
CD2 | CG2 | CB | 120.5° | 120.0° |
CG2 | CD2 | HD2 | 119.8° | 120.0° |
CD2 | CG2 | HG2 | 119.7° | 120.0° |
CD2 | CE | CD1 | 119.3° | 120.0° |
CD2 | CE | HE | 120.3° | 120.0° |
CE | CD2 | HD2 | 119.8° | 120.0° |
CG2 | CB | CA | 118.9° | 120.0° |
CG2 | CB | CG1 | 118.7° | 120.0° |
CB | CG2 | HG2 | 119.7° | 120.0° |
O1 | C | O2 | 124.6° | 120.0° |
O1 | C | CA | 116.4° | 120.1° |
CE | CD1 | CG1 | 120.6° | 120.0° |
CE | CD1 | HD1 | 119.7° | 120.0° |
CD1 | CE | HE | 120.4° | 120.0° |
O2 | C | CA | 119.0° | 120.0° |
C | O2 | H1 | 109.5° | 117.0° |
C | CA | CB | 110.6° | 109.5° |
C | CA | S1 | 112.7° | 109.5° |
C | CA | HA | 106.3° | 109.4° |
CA | CB | CG1 | 122.4° | 120.0° |
CB | CA | S1 | 114.9° | 109.5° |
CB | CA | HA | 107.5° | 109.5° |
CB | CG1 | CD1 | 120.5° | 120.0° |
CB | CG1 | HG1 | 119.8° | 120.0° |
S1 | CA | HA | 104.1° | 109.5° |
CA | S1 | H2 | 102.0° | 103.0° |
CD1 | CG1 | HG1 | 119.8° | 120.0° |
CG1 | CD1 | HD1 | 119.7° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CG2 | CD2 | CE | HD2 | 180.0° | 179.4° |
CD2 | CG2 | CB | HG2 | 180.0° | 179.4° |
CG2 | CD2 | CE | CD1 | 0.4° | 0.3° |
CD2 | CG2 | CB | CA | 177.9° | 179.7° |
CD2 | CG2 | CB | CG1 | 0.0° | 0.6° |
CG2 | CD2 | CE | HE | 179.6° | 179.8° |
CE | CD2 | CG2 | CB | 0.3° | 0.6° |
CD2 | CE | CD1 | HE | 180.0° | 179.9° |
CD2 | CE | CD1 | CG1 | 0.1° | 0.0° |
CD2 | CE | CD1 | HD1 | 179.9° | 179.9° |
CE | CD2 | CG2 | HG2 | 179.7° | 180.0° |
CG2 | CB | CA | C | 51.5° | 59.7° |
CG2 | CB | CA | CG1 | 177.8° | 179.7° |
CG2 | CB | CA | S1 | 77.5° | 60.2° |
CG2 | CB | CG1 | CD1 | 0.2° | 0.3° |
CG2 | CB | CA | HA | 167.2° | 179.7° |
CG2 | CB | CG1 | HG1 | 179.7° | 179.8° |
CB | CG2 | CD2 | HD2 | 179.7° | 180.0° |
O1 | C | O2 | CA | 179.6° | 179.8° |
O1 | C | CA | CB | 20.7° | 30.0° |
O1 | C | CA | S1 | 150.9° | 90.0° |
O1 | C | O2 | H1 | 0.0° | 0.0° |
O1 | C | CA | HA | 95.7° | 150.0° |
CE | CD1 | CG1 | CB | 0.2° | 0.0° |
CE | CD1 | CG1 | HD1 | 180.0° | 179.9° |
CE | CD1 | CG1 | HG1 | 179.8° | 179.9° |
CD1 | CE | CD2 | HD2 | 179.6° | 179.7° |
O2 | C | CA | CB | 159.0° | 149.7° |
O2 | C | CA | S1 | 28.8° | 90.3° |
O2 | C | CA | HA | 84.7° | 29.7° |
C | CA | CB | S1 | 129.0° | 120.0° |
C | CA | CB | HA | 115.7° | 120.0° |
C | CA | CB | CG1 | 126.2° | 120.0° |
C | CA | S1 | HA | 114.8° | 120.0° |
CA | C | O2 | H1 | 179.7° | 179.7° |
C | CA | S1 | H2 | 180.0° | 60.0° |
CB | CA | S1 | HA | 117.2° | 120.0° |
CA | CB | CG1 | CD1 | 177.5° | 180.0° |
CB | CA | S1 | H2 | 52.0° | 60.0° |
CA | CB | CG1 | HG1 | 2.5° | 0.0° |
CA | CB | CG2 | HG2 | 2.2° | 0.3° |
CG1 | CB | CA | S1 | 104.8° | 120.0° |
CB | CG1 | CD1 | HG1 | 180.0° | 179.9° |
CG1 | CB | CA | HA | 10.5° | 0.0° |
CB | CG1 | CD1 | HD1 | 179.8° | 179.9° |
CG1 | CB | CG2 | HG2 | 180.0° | 180.0° |
CG1 | CD1 | CE | HE | 179.9° | 179.9° |
HA | CA | S1 | H2 | 65.2° | 180.0° |
HG1 | CG1 | CD1 | HD1 | 0.2° | 0.0° |
HD1 | CD1 | CE | HE | 0.1° | 0.0° |
HE | CE | CD2 | HD2 | 0.4° | 0.4° |
HD2 | CD2 | CG2 | HG2 | 0.3° | 0.6° |