TAU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | N1 | sing | 1.47Å | 1.34Å | |
C1 | H1C1 | sing | 1.09Å | 1.12Å | |
C1 | H1C2 | sing | 1.09Å | 1.12Å | |
C2 | S | sing | 1.81Å | 1.81Å | |
C2 | H2C1 | sing | 1.09Å | 1.12Å | |
C2 | H2C2 | sing | 1.09Å | 1.12Å | |
N1 | H1N1 | sing | 1.01Å | 1.10Å | |
N1 | H1N2 | sing | 1.01Å | 1.10Å | |
S | O1 | doub | 1.42Å | 1.50Å | |
S | O2 | sing | 1.52Å | 1.51Å | |
S | O3 | doub | 1.42Å | 1.50Å | |
O2 | H2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | N1 | 110.4° | 109.6° |
C2 | C1 | H1C1 | 111.9° | 109.5° |
C2 | C1 | H1C2 | 111.8° | 109.4° |
C1 | C2 | S | 112.8° | 109.5° |
C1 | C2 | H2C1 | 111.0° | 109.5° |
C1 | C2 | H2C2 | 111.0° | 109.4° |
N1 | C1 | H1C1 | 111.8° | 109.5° |
N1 | C1 | H1C2 | 111.9° | 109.5° |
C1 | N1 | H1N1 | 110.4° | 106.8° |
C1 | N1 | H1N2 | 111.8° | 106.6° |
H1C1 | C1 | H1C2 | 98.5° | 109.4° |
S | C2 | H2C1 | 111.0° | 109.5° |
S | C2 | H2C2 | 111.0° | 109.4° |
C2 | S | O1 | 109.0° | 111.7° |
C2 | S | O2 | 108.6° | 103.2° |
C2 | S | O3 | 109.8° | 111.6° |
H2C1 | C2 | H2C2 | 99.3° | 109.5° |
H1N1 | N1 | H1N2 | 111.8° | 106.7° |
O1 | S | O2 | 110.8° | 102.8° |
O1 | S | O3 | 108.4° | 122.1° |
O2 | S | O3 | 110.3° | 102.7° |
S | O2 | H2 | 108.6° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | N1 | H1C1 | 125.3° | 120.1° |
C2 | C1 | N1 | H1C2 | 125.3° | 120.0° |
C2 | C1 | H1C1 | H1C2 | 117.7° | 119.9° |
C1 | C2 | S | H2C1 | 125.3° | 120.0° |
C1 | C2 | S | H2C2 | 125.3° | 120.0° |
C1 | C2 | H2C1 | H2C2 | 116.8° | 119.9° |
C2 | C1 | N1 | H1N1 | 180.0° | 180.0° |
C2 | C1 | N1 | H1N2 | 54.8° | 66.2° |
C1 | C2 | S | O1 | 60.8° | 70.2° |
C1 | C2 | S | O2 | 59.9° | 180.0° |
C1 | C2 | S | O3 | 179.4° | 70.3° |
N1 | C1 | H1C1 | H1C2 | 117.8° | 119.9° |
N1 | C1 | C2 | S | 153.9° | 180.0° |
N1 | C1 | C2 | H2C1 | 80.8° | 60.0° |
N1 | C1 | C2 | H2C2 | 28.6° | 60.0° |
C1 | N1 | H1N1 | H1N2 | 125.2° | 113.7° |
H1C1 | C1 | C2 | S | 80.8° | 59.9° |
H1C1 | C1 | C2 | H2C1 | 44.5° | 179.9° |
H1C1 | C1 | C2 | H2C2 | 153.9° | 60.1° |
H1C1 | C1 | N1 | H1N1 | 54.7° | 59.9° |
H1C1 | C1 | N1 | H1N2 | 180.0° | 53.9° |
H1C2 | C1 | C2 | S | 28.6° | 60.0° |
H1C2 | C1 | C2 | H2C1 | 153.9° | 60.1° |
H1C2 | C1 | C2 | H2C2 | 96.7° | 180.0° |
H1C2 | C1 | N1 | H1N1 | 54.7° | 60.0° |
H1C2 | C1 | N1 | H1N2 | 70.5° | 173.8° |
S | C2 | H2C1 | H2C2 | 116.8° | 120.0° |
C2 | S | O1 | O2 | 119.4° | 110.0° |
C2 | S | O1 | O3 | 119.4° | 135.8° |
C2 | S | O2 | O3 | 120.4° | 116.2° |
C2 | S | O2 | H2 | 180.0° | 180.0° |
H2C1 | C2 | S | O1 | 64.5° | 169.8° |
H2C1 | C2 | S | O2 | 174.8° | 60.0° |
H2C1 | C2 | S | O3 | 54.1° | 49.7° |
H2C2 | C2 | S | O1 | 173.9° | 49.7° |
H2C2 | C2 | S | O2 | 65.4° | 60.1° |
H2C2 | C2 | S | O3 | 55.3° | 169.7° |
O1 | S | O2 | O3 | 120.0° | 127.6° |
O1 | S | O2 | H2 | 60.4° | 63.7° |
O3 | S | O2 | H2 | 59.6° | 63.8° |