TFB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OA | CA | sing | 1.44Å | 1.47Å | |
OA | CD | sing | 1.44Å | 1.49Å | |
CA | C | sing | 1.51Å | 1.38Å | |
CA | CB | sing | 1.54Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.11Å | |
C | OB | sing | 1.34Å | 1.27Å | |
C | OXT | doub | 1.21Å | 1.24Å | |
OB | HB | sing | 0.97Å | 0.95Å | |
CB | CG | sing | 1.55Å | 1.52Å | |
CB | HB1 | sing | 1.09Å | 1.12Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CG | CD | sing | 1.54Å | 1.52Å | |
CG | HG1 | sing | 1.09Å | 1.12Å | |
CG | HG2 | sing | 1.09Å | 1.11Å | |
CD | HD1 | sing | 1.09Å | 1.11Å | |
CD | HD2 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | OA | CD | 112.3° | 105.2° |
OA | CA | C | 111.4° | 110.4° |
OA | CA | CB | 103.8° | 105.0° |
OA | CA | HA | 114.8° | 110.4° |
OA | CD | CG | 103.8° | 104.9° |
OA | CD | HD1 | 114.4° | 110.5° |
OA | CD | HD2 | 114.4° | 110.3° |
C | CA | CB | 116.7° | 110.4° |
C | CA | HA | 101.3° | 110.3° |
CA | C | OB | 117.4° | 120.0° |
CA | C | OXT | 118.9° | 120.0° |
CB | CA | HA | 109.2° | 110.3° |
CA | CB | CG | 104.1° | 104.1° |
CA | CB | HB1 | 114.3° | 110.5° |
CA | CB | HB2 | 114.3° | 110.6° |
OB | C | OXT | 123.8° | 120.0° |
C | OB | HB | 117.3° | 120.0° |
CG | CB | HB1 | 114.2° | 110.5° |
CG | CB | HB2 | 114.3° | 110.5° |
CB | CG | CD | 106.9° | 104.0° |
CB | CG | HG1 | 113.1° | 110.5° |
CB | CG | HG2 | 113.2° | 110.5° |
HB1 | CB | HB2 | 96.2° | 110.5° |
CD | CG | HG1 | 113.2° | 110.5° |
CD | CG | HG2 | 113.2° | 110.5° |
CG | CD | HD1 | 114.3° | 110.4° |
CG | CD | HD2 | 114.3° | 110.3° |
HG1 | CG | HG2 | 97.2° | 110.6° |
HD1 | CD | HD2 | 96.1° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OA | CA | C | CB | 119.0° | 115.6° |
OA | CA | C | HA | 122.6° | 122.3° |
OA | CA | CB | HA | 122.9° | 118.9° |
OA | CA | C | OB | 97.5° | 177.1° |
OA | CA | C | OXT | 83.5° | 3.0° |
OA | CA | CB | CG | 28.9° | 23.9° |
OA | CA | CB | HB1 | 96.4° | 94.7° |
OA | CA | CB | HB2 | 154.2° | 142.5° |
CA | OA | CD | CG | 0.9° | 40.3° |
CA | OA | CD | HD1 | 124.4° | 159.3° |
CA | OA | CD | HD2 | 126.1° | 78.4° |
CD | OA | CA | C | 145.3° | 159.2° |
CD | OA | CA | CB | 18.9° | 40.3° |
CD | OA | CA | HA | 100.3° | 78.6° |
OA | CD | CG | CB | 17.9° | 23.9° |
OA | CD | CG | HD1 | 125.3° | 119.0° |
OA | CD | CG | HD2 | 125.3° | 118.7° |
OA | CD | CG | HG1 | 143.1° | 94.7° |
OA | CD | CG | HG2 | 107.4° | 142.6° |
OA | CD | HD1 | HD2 | 120.3° | 122.2° |
C | CA | CB | HA | 114.1° | 122.1° |
CA | C | OB | OXT | 178.9° | 179.9° |
CA | C | OB | HB | 180.0° | 180.0° |
C | CA | CB | CG | 151.9° | 142.8° |
C | CA | CB | HB1 | 26.6° | 24.2° |
C | CA | CB | HB2 | 82.9° | 98.5° |
CB | CA | C | OB | 143.5° | 61.5° |
CB | CA | C | OXT | 35.5° | 118.6° |
CA | CB | CG | HB1 | 125.3° | 118.6° |
CA | CB | CG | HB2 | 125.3° | 118.7° |
CA | CB | HB1 | HB2 | 120.2° | 122.8° |
CA | CB | CG | CD | 29.3° | 0.0° |
CA | CB | CG | HG1 | 154.6° | 118.6° |
CA | CB | CG | HG2 | 96.0° | 118.7° |
HA | CA | C | OB | 25.1° | 60.6° |
HA | CA | C | OXT | 153.9° | 119.3° |
HA | CA | CB | CG | 94.1° | 95.0° |
HA | CA | CB | HB1 | 140.7° | 146.4° |
HA | CA | CB | HB2 | 31.2° | 23.6° |
OXT | C | OB | HB | 1.1° | 0.1° |
CG | CB | HB1 | HB2 | 120.1° | 122.6° |
CB | CG | CD | HG1 | 125.2° | 118.6° |
CB | CG | CD | HG2 | 125.3° | 118.7° |
CB | CG | HG1 | HG2 | 119.1° | 122.7° |
CB | CG | CD | HD1 | 143.1° | 142.9° |
CB | CG | CD | HD2 | 107.4° | 94.8° |
HB1 | CB | CG | CD | 96.0° | 118.7° |
HB1 | CB | CG | HG1 | 29.3° | 0.0° |
HB1 | CB | CG | HG2 | 138.7° | 122.7° |
HB2 | CB | CG | CD | 154.6° | 118.7° |
HB2 | CB | CG | HG1 | 80.1° | 122.7° |
HB2 | CB | CG | HG2 | 29.3° | 0.0° |
CD | CG | HG1 | HG2 | 119.1° | 122.7° |
CG | CD | HD1 | HD2 | 120.2° | 122.2° |
HG1 | CG | CD | HD1 | 91.6° | 24.3° |
HG1 | CG | CD | HD2 | 17.8° | 146.5° |
HG2 | CG | CD | HD1 | 17.9° | 98.4° |
HG2 | CG | CD | HD2 | 127.3° | 23.8° |