4AT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O1 | doub | 1.22Å | 1.15Å | |
C | O2 | sing | 1.36Å | 1.30Å | |
C | CA | sing | 1.51Å | 1.54Å | |
O2 | HO2 | sing | 0.98Å | 0.95Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | HA1 | sing | 1.10Å | 1.10Å | |
CA | HA2 | sing | 1.10Å | 1.10Å | |
CB | CG | sing | 1.53Å | 1.44Å | |
CB | HB1 | sing | 1.10Å | 1.10Å | |
CB | HB2 | sing | 1.10Å | 1.10Å | |
CG | C1A | sing | 1.52Å | 1.32Å | |
CG | HG1 | sing | 1.10Å | 1.10Å | |
CG | HG2 | sing | 1.10Å | 1.10Å | |
C2A | C1A | sing | 1.51Å | 1.49Å | |
C2A | H2A1 | sing | 1.09Å | 1.10Å | |
C2A | H2A2 | sing | 1.09Å | 1.10Å | |
C2A | H2A3 | sing | 1.09Å | 1.10Å | |
C1A | OAC | doub | 1.23Å | 1.23Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C | O2 | 126.8° | 123.4° |
O1 | C | CA | 120.0° | 123.9° |
O2 | C | CA | 113.3° | 112.7° |
C | O2 | HO2 | 109.5° | 115.1° |
C | CA | CB | 109.1° | 113.5° |
C | CA | HA1 | 109.6° | 108.4° |
C | CA | HA2 | 109.7° | 107.5° |
CB | CA | HA1 | 109.6° | 110.8° |
CB | CA | HA2 | 109.7° | 110.2° |
CA | CB | CG | 106.8° | 113.8° |
CA | CB | HB1 | 110.4° | 110.7° |
CA | CB | HB2 | 111.0° | 107.5° |
HA1 | CA | HA2 | 109.2° | 106.1° |
CG | CB | HB1 | 110.4° | 110.6° |
CG | CB | HB2 | 111.0° | 107.5° |
CB | CG | C1A | 123.6° | 114.0° |
CB | CG | HG1 | 105.0° | 110.6° |
CB | CG | HG2 | 101.7° | 109.7° |
HB1 | CB | HB2 | 107.4° | 106.5° |
C1A | CG | HG1 | 105.0° | 108.6° |
C1A | CG | HG2 | 101.7° | 107.0° |
CG | C1A | C2A | 116.3° | 117.7° |
CG | C1A | OAC | 123.3° | 121.1° |
HG1 | CG | HG2 | 121.4° | 106.5° |
C1A | C2A | H2A1 | 109.5° | 109.8° |
C1A | C2A | H2A2 | 109.5° | 109.4° |
C1A | C2A | H2A3 | 109.5° | 110.0° |
C2A | C1A | OAC | 120.4° | 121.2° |
H2A1 | C2A | H2A2 | 109.5° | 108.3° |
H2A1 | C2A | H2A3 | 109.4° | 110.3° |
H2A2 | C2A | H2A3 | 109.5° | 109.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C | O2 | CA | 179.7° | 179.3° |
O1 | C | O2 | HO2 | 0.0° | 0.1° |
O1 | C | CA | CB | 92.3° | 26.4° |
O1 | C | CA | HA1 | 27.6° | 150.0° |
O1 | C | CA | HA2 | 147.5° | 95.7° |
O2 | C | CA | CB | 87.4° | 152.8° |
O2 | C | CA | HA1 | 152.6° | 29.3° |
O2 | C | CA | HA2 | 32.7° | 85.1° |
CA | C | O2 | HO2 | 179.7° | 179.3° |
C | CA | CB | HA1 | 120.0° | 122.3° |
C | CA | CB | HA2 | 120.1° | 120.6° |
C | CA | HA1 | HA2 | 120.2° | 115.2° |
C | CA | CB | CG | 158.9° | 65.2° |
C | CA | CB | HB1 | 81.2° | 60.0° |
C | CA | CB | HB2 | 37.8° | 176.0° |
CB | CA | HA1 | HA2 | 120.1° | 119.6° |
CA | CB | CG | HB1 | 120.0° | 125.3° |
CA | CB | CG | HB2 | 121.0° | 118.9° |
CA | CB | HB1 | HB2 | 121.1° | 116.5° |
CA | CB | CG | C1A | 179.9° | 174.7° |
CA | CB | CG | HG1 | 60.1° | 62.5° |
CA | CB | CG | HG2 | 67.3° | 54.7° |
HA1 | CA | CB | CG | 38.9° | 57.1° |
HA1 | CA | CB | HB1 | 158.9° | 177.7° |
HA1 | CA | CB | HB2 | 82.2° | 61.7° |
HA2 | CA | CB | CG | 81.0° | 174.3° |
HA2 | CA | CB | HB1 | 39.0° | 60.6° |
HA2 | CA | CB | HB2 | 157.9° | 55.4° |
CG | CB | HB1 | HB2 | 121.1° | 116.5° |
CB | CG | C1A | HG1 | 120.0° | 123.8° |
CB | CG | C1A | HG2 | 112.7° | 121.5° |
CB | CG | HG1 | HG2 | 114.2° | 119.2° |
CB | CG | C1A | C2A | 180.0° | 176.2° |
CB | CG | C1A | OAC | 0.0° | 4.0° |
HB1 | CB | CG | C1A | 59.9° | 60.0° |
HB1 | CB | CG | HG1 | 179.9° | 62.8° |
HB1 | CB | CG | HG2 | 52.7° | 180.0° |
HB2 | CB | CG | C1A | 59.0° | 55.9° |
HB2 | CB | CG | HG1 | 61.0° | 178.6° |
HB2 | CB | CG | HG2 | 171.7° | 64.2° |
C1A | CG | HG1 | HG2 | 114.1° | 115.0° |
CG | C1A | C2A | OAC | 180.0° | 179.8° |
CG | C1A | C2A | H2A1 | 114.9° | 47.8° |
CG | C1A | C2A | H2A2 | 125.0° | 166.6° |
CG | C1A | C2A | H2A3 | 5.0° | 73.7° |
HG1 | CG | C1A | C2A | 60.0° | 60.0° |
HG1 | CG | C1A | OAC | 120.0° | 119.8° |
HG2 | CG | C1A | C2A | 67.3° | 54.7° |
HG2 | CG | C1A | OAC | 112.7° | 125.5° |
C1A | C2A | H2A1 | H2A2 | 120.0° | 119.4° |
C1A | C2A | H2A1 | H2A3 | 120.0° | 121.4° |
C1A | C2A | H2A2 | H2A3 | 120.0° | 120.3° |
H2A1 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
H2A1 | C2A | C1A | OAC | 65.1° | 131.9° |
H2A2 | C2A | C1A | OAC | 55.0° | 13.2° |
H2A3 | C2A | C1A | OAC | 175.0° | 106.5° |