0AJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CA | CB | sing | 1.53Å | 1.55Å | |
CA | HAC1 | sing | 1.09Å | 1.10Å | |
CA | HAC2 | sing | 1.09Å | 1.10Å | |
CA | HAC3 | sing | 1.09Å | 1.10Å | |
CB | SG | sing | 1.81Å | 1.82Å | |
CB | S | sing | 1.81Å | 1.79Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
SG | CD | sing | 1.81Å | 1.81Å | |
CD | HDC1 | sing | 1.09Å | 1.10Å | |
CD | HDC2 | sing | 1.09Å | 1.10Å | |
CD | HDC3 | sing | 1.09Å | 1.10Å | |
S | C1 | sing | 1.81Å | 1.82Å | |
C1 | C2 | sing | 1.53Å | 1.48Å | |
C1 | H1C1 | sing | 1.09Å | 1.10Å | |
C1 | H1C2 | sing | 1.09Å | 1.10Å | |
C2 | H2C1 | sing | 1.09Å | 1.10Å | |
C2 | H2C2 | sing | 1.09Å | 1.10Å | |
C2 | H2C3 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CB | CA | HAC1 | 109.5° | 109.5° |
CB | CA | HAC2 | 109.5° | 109.5° |
CB | CA | HAC3 | 109.5° | 109.5° |
CA | CB | SG | 112.8° | 109.5° |
CA | CB | S | 109.2° | 109.5° |
CA | CB | HB | 108.6° | 109.4° |
HAC1 | CA | HAC2 | 109.5° | 109.4° |
HAC1 | CA | HAC3 | 109.5° | 109.5° |
HAC2 | CA | HAC3 | 109.5° | 109.5° |
SG | CB | S | 112.9° | 109.5° |
SG | CB | HB | 104.6° | 109.5° |
CB | SG | CD | 93.7° | 103.0° |
S | CB | HB | 108.5° | 109.5° |
CB | S | C1 | 104.6° | 103.0° |
SG | CD | HDC1 | 109.5° | 109.5° |
SG | CD | HDC2 | 109.5° | 109.5° |
SG | CD | HDC3 | 109.5° | 109.4° |
HDC1 | CD | HDC2 | 109.5° | 109.5° |
HDC1 | CD | HDC3 | 109.4° | 109.4° |
HDC2 | CD | HDC3 | 109.5° | 109.5° |
S | C1 | C2 | 116.3° | 109.5° |
S | C1 | H1C1 | 107.2° | 109.5° |
S | C1 | H1C2 | 105.7° | 109.4° |
C2 | C1 | H1C1 | 107.2° | 109.5° |
C2 | C1 | H1C2 | 105.7° | 109.5° |
C1 | C2 | H2C1 | 109.5° | 109.5° |
C1 | C2 | H2C2 | 109.5° | 109.5° |
C1 | C2 | H2C3 | 109.5° | 109.5° |
H1C1 | C1 | H1C2 | 115.0° | 109.5° |
H2C1 | C2 | H2C2 | 109.5° | 109.5° |
H2C1 | C2 | H2C3 | 109.4° | 109.4° |
H2C2 | C2 | H2C3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CB | CA | HAC1 | HAC2 | 120.0° | 120.0° |
CB | CA | HAC1 | HAC3 | 120.0° | 120.0° |
CB | CA | HAC2 | HAC3 | 120.0° | 120.0° |
CA | CB | SG | S | 124.4° | 120.0° |
CA | CB | SG | HB | 117.8° | 120.0° |
CA | CB | S | HB | 118.2° | 120.0° |
CA | CB | SG | CD | 178.5° | 62.9° |
CA | CB | S | C1 | 100.1° | 174.2° |
HAC1 | CA | HAC2 | HAC3 | 120.0° | 120.0° |
HAC1 | CA | CB | SG | 165.5° | 60.1° |
HAC1 | CA | CB | S | 68.1° | 60.0° |
HAC1 | CA | CB | HB | 50.0° | 180.0° |
HAC2 | CA | CB | SG | 45.5° | 180.0° |
HAC2 | CA | CB | S | 171.9° | 60.0° |
HAC2 | CA | CB | HB | 70.0° | 60.0° |
HAC3 | CA | CB | SG | 74.5° | 60.0° |
HAC3 | CA | CB | S | 51.9° | 180.0° |
HAC3 | CA | CB | HB | 170.0° | 60.0° |
SG | CB | S | HB | 115.4° | 120.0° |
CB | SG | CD | HDC1 | 179.9° | 175.5° |
CB | SG | CD | HDC2 | 59.8° | 55.4° |
CB | SG | CD | HDC3 | 60.2° | 64.6° |
SG | CB | S | C1 | 26.2° | 65.8° |
S | CB | SG | CD | 57.1° | 57.1° |
CB | S | C1 | C2 | 67.6° | 174.6° |
CB | S | C1 | H1C1 | 52.4° | 65.3° |
CB | S | C1 | H1C2 | 175.5° | 54.7° |
HB | CB | SG | CD | 60.7° | 177.1° |
HB | CB | S | C1 | 141.7° | 54.2° |
SG | CD | HDC1 | HDC2 | 120.0° | 120.0° |
SG | CD | HDC1 | HDC3 | 120.0° | 119.9° |
SG | CD | HDC2 | HDC3 | 120.0° | 120.0° |
HDC1 | CD | HDC2 | HDC3 | 120.0° | 120.0° |
S | C1 | C2 | H1C1 | 120.0° | 120.0° |
S | C1 | C2 | H1C2 | 116.9° | 119.9° |
S | C1 | H1C1 | H1C2 | 117.2° | 120.0° |
S | C1 | C2 | H2C1 | 49.8° | 180.0° |
S | C1 | C2 | H2C2 | 70.2° | 60.0° |
S | C1 | C2 | H2C3 | 169.8° | 60.0° |
C2 | C1 | H1C1 | H1C2 | 117.2° | 120.0° |
C1 | C2 | H2C1 | H2C2 | 120.0° | 120.1° |
C1 | C2 | H2C1 | H2C3 | 120.0° | 120.0° |
C1 | C2 | H2C2 | H2C3 | 120.0° | 120.0° |
H1C1 | C1 | C2 | H2C1 | 169.8° | 60.0° |
H1C1 | C1 | C2 | H2C2 | 49.7° | NaN° |
H1C1 | C1 | C2 | H2C3 | 70.3° | 60.0° |
H1C2 | C1 | C2 | H2C1 | 67.1° | 60.1° |
H1C2 | C1 | C2 | H2C2 | 172.9° | 59.9° |
H1C2 | C1 | C2 | H2C3 | 52.9° | 179.9° |
H2C1 | C2 | H2C2 | H2C3 | 120.0° | 119.9° |