TZA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NH | CZ | sing | 1.47Å | 1.34Å | |
NH | HNH1 | sing | 1.01Å | 1.02Å | |
NH | HNH2 | sing | 1.01Å | 1.02Å | |
CZ | CE2 | sing | 1.50Å | 1.39Å | |
CZ | CE1 | sing | 1.50Å | 1.38Å | |
CZ | HCZ | sing | 1.09Å | 1.12Å | |
CE2 | CD2 | doub | 1.30Å | 1.40Å | |
CE2 | HE22 | sing | 1.08Å | 1.10Å | |
CD2 | CG | sing | 1.50Å | 1.40Å | |
CD2 | HD22 | sing | 1.08Å | 1.10Å | |
CE1 | CD1 | doub | 1.30Å | 1.38Å | |
CE1 | HE11 | sing | 1.08Å | 1.10Å | |
CD1 | CG | sing | 1.50Å | 1.39Å | |
CD1 | HD11 | sing | 1.08Å | 1.10Å | |
CG | CX | sing | 1.53Å | 1.46Å | |
CG | HCG | sing | 1.09Å | 1.11Å | |
CX | CB | sing | 1.53Å | 1.55Å | |
CX | HCX1 | sing | 1.09Å | 1.11Å | |
CX | HCX2 | sing | 1.09Å | 1.12Å | |
CB | CA | sing | 1.53Å | 1.54Å | |
CB | HCB1 | sing | 1.09Å | 1.11Å | |
CB | HCB2 | sing | 1.09Å | 1.12Å | |
CA | N | sing | 1.47Å | 1.45Å | |
CA | C | sing | 1.51Å | 1.50Å | |
CA | HCA | sing | 1.09Å | 1.12Å | |
N | HN1 | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
C | O | doub | 1.21Å | 1.21Å | |
C | O2 | sing | 1.34Å | 1.22Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CZ | NH | HNH1 | 119.5° | 106.7° |
CZ | NH | HNH2 | 108.6° | 106.6° |
NH | CZ | CE2 | 119.5° | 109.2° |
NH | CZ | CE1 | 119.7° | 109.1° |
NH | CZ | HCZ | 138.0° | 109.1° |
HNH1 | NH | HNH2 | 108.6° | 106.7° |
CE2 | CZ | CE1 | 120.8° | 111.2° |
CE2 | CZ | HCZ | 73.0° | 109.2° |
CZ | CE2 | CD2 | 120.0° | 122.8° |
CZ | CE2 | HE22 | 119.8° | 118.6° |
CE1 | CZ | HCZ | 64.2° | 109.1° |
CZ | CE1 | CD1 | 119.6° | 122.8° |
CZ | CE1 | HE11 | 120.4° | 118.6° |
CD2 | CE2 | HE22 | 120.2° | 118.6° |
CE2 | CD2 | CG | 118.4° | 122.9° |
CE2 | CD2 | HD22 | 120.7° | 118.5° |
CG | CD2 | HD22 | 120.9° | 118.6° |
CD2 | CG | CD1 | 120.7° | 111.2° |
CD2 | CG | CX | 123.2° | 109.2° |
CD2 | CG | HCG | 78.2° | 109.2° |
CD1 | CE1 | HE11 | 120.0° | 118.6° |
CE1 | CD1 | CG | 120.3° | 122.8° |
CE1 | CD1 | HD11 | 119.4° | 118.6° |
CG | CD1 | HD11 | 120.2° | 118.6° |
CD1 | CG | CX | 113.8° | 109.1° |
CD1 | CG | HCG | 108.0° | 109.1° |
CX | CG | HCG | 100.2° | 109.1° |
CG | CX | CB | 108.7° | 109.5° |
CG | CX | HCX1 | 112.5° | 109.4° |
CG | CX | HCX2 | 112.5° | 109.4° |
CB | CX | HCX1 | 112.5° | 109.5° |
CB | CX | HCX2 | 112.5° | 109.5° |
CX | CB | CA | 115.4° | 109.5° |
CX | CB | HCB1 | 110.0° | 109.5° |
CX | CB | HCB2 | 110.0° | 109.5° |
HCX1 | CX | HCX2 | 98.0° | 109.4° |
CA | CB | HCB1 | 110.1° | 109.5° |
CA | CB | HCB2 | 110.0° | 109.5° |
CB | CA | N | 103.4° | 109.5° |
CB | CA | C | 113.3° | 109.5° |
CB | CA | HCA | 111.6° | 109.5° |
HCB1 | CB | HCB2 | 100.2° | 109.4° |
N | CA | C | 111.1° | 109.5° |
N | CA | HCA | 113.8° | 109.4° |
CA | N | HN1 | 103.4° | 106.7° |
CA | N | HN2 | 114.5° | 106.7° |
C | CA | HCA | 103.9° | 109.4° |
CA | C | O | 120.5° | 119.9° |
CA | C | O2 | 120.5° | 120.1° |
HN1 | N | HN2 | 114.5° | 106.7° |
O | C | O2 | 119.0° | 120.0° |
C | O2 | HO2 | 120.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CZ | NH | HNH1 | HNH2 | 125.3° | 113.7° |
NH | CZ | CE2 | CE1 | 179.3° | 120.4° |
NH | CZ | CE2 | HCZ | 136.1° | 119.2° |
NH | CZ | CE1 | HCZ | 132.4° | 119.1° |
NH | CZ | CE2 | CD2 | 179.9° | 100.9° |
NH | CZ | CE2 | HE22 | 0.2° | 79.2° |
NH | CZ | CE1 | CD1 | 179.8° | 100.9° |
NH | CZ | CE1 | HE11 | 0.2° | 79.1° |
HNH1 | NH | CZ | CE2 | 180.0° | 180.0° |
HNH1 | NH | CZ | CE1 | 0.7° | 58.3° |
HNH1 | NH | CZ | HCZ | 82.6° | 60.8° |
HNH2 | NH | CZ | CE2 | 54.7° | 66.2° |
HNH2 | NH | CZ | CE1 | 126.0° | 172.1° |
HNH2 | NH | CZ | HCZ | 42.6° | 53.0° |
CE2 | CZ | CE1 | HCZ | 48.3° | 120.4° |
CZ | CE2 | CD2 | HE22 | 179.9° | 179.9° |
CZ | CE2 | CD2 | CG | 3.0° | 0.1° |
CZ | CE2 | CD2 | HD22 | 176.9° | 180.0° |
CE2 | CZ | CE1 | CD1 | 0.5° | 19.5° |
CE2 | CZ | CE1 | HE11 | 179.5° | 160.5° |
CE1 | CZ | CE2 | CD2 | 0.6° | 19.5° |
CE1 | CZ | CE2 | HE22 | 179.5° | 160.4° |
CZ | CE1 | CD1 | HE11 | 180.0° | 180.0° |
CZ | CE1 | CD1 | CG | 2.9° | 0.1° |
CZ | CE1 | CD1 | HD11 | 177.1° | 180.0° |
HCZ | CZ | CE2 | CD2 | 44.1° | 139.8° |
HCZ | CZ | CE2 | HE22 | 135.9° | 40.0° |
HCZ | CZ | CE1 | CD1 | 47.8° | 140.0° |
HCZ | CZ | CE1 | HE11 | 132.2° | 40.0° |
CE2 | CD2 | CG | HD22 | 179.9° | 180.0° |
CE2 | CD2 | CG | CD1 | 5.5° | 19.5° |
CE2 | CD2 | CG | CX | 166.8° | 100.9° |
CE2 | CD2 | CG | HCG | 98.6° | 139.9° |
HE22 | CE2 | CD2 | CG | 177.0° | 179.9° |
HE22 | CE2 | CD2 | HD22 | 3.0° | 0.1° |
CD2 | CG | CD1 | CE1 | 5.5° | 19.5° |
CD2 | CG | CD1 | CX | 163.0° | 120.5° |
CD2 | CG | CD1 | HCG | 86.8° | 120.4° |
CD2 | CG | CD1 | HD11 | 174.5° | 160.4° |
CD2 | CG | CX | HCG | 82.5° | 119.2° |
CD2 | CG | CX | CB | 85.2° | 180.0° |
CD2 | CG | CX | HCX1 | 40.0° | 59.9° |
CD2 | CG | CX | HCX2 | 149.6° | 59.9° |
HD22 | CD2 | CG | CD1 | 174.5° | 160.5° |
HD22 | CD2 | CG | CX | 13.1° | 79.1° |
HD22 | CD2 | CG | HCG | 81.4° | 40.1° |
CE1 | CD1 | CG | HD11 | 180.0° | 179.9° |
CE1 | CD1 | CG | CX | 168.5° | 101.0° |
CE1 | CD1 | CG | HCG | 81.3° | 139.9° |
HE11 | CE1 | CD1 | CG | 177.1° | 180.0° |
HE11 | CE1 | CD1 | HD11 | 2.9° | 0.0° |
CD1 | CG | CX | HCG | 114.9° | 119.1° |
CD1 | CG | CX | CB | 77.3° | 58.3° |
CD1 | CG | CX | HCX1 | 157.5° | 178.4° |
CD1 | CG | CX | HCX2 | 47.9° | 61.7° |
HD11 | CD1 | CG | CX | 11.5° | 79.1° |
HD11 | CD1 | CG | HCG | 98.7° | 40.0° |
CG | CX | CB | HCX1 | 125.2° | 120.0° |
CG | CX | CB | HCX2 | 125.2° | 120.0° |
CG | CX | HCX1 | HCX2 | 118.5° | 119.9° |
CG | CX | CB | CA | 178.4° | 180.0° |
CG | CX | CB | HCB1 | 53.1° | 60.0° |
CG | CX | CB | HCB2 | 56.4° | 59.9° |
HCG | CG | CX | CB | 167.7° | 60.8° |
HCG | CG | CX | HCX1 | 42.5° | 59.3° |
HCG | CG | CX | HCX2 | 67.0° | 179.2° |
CB | CX | HCX1 | HCX2 | 118.4° | 120.0° |
CX | CB | CA | HCB1 | 125.3° | 120.0° |
CX | CB | CA | HCB2 | 125.2° | 120.0° |
CX | CB | HCB1 | HCB2 | 115.9° | 119.9° |
CX | CB | CA | N | 75.0° | 60.0° |
CX | CB | CA | C | 45.4° | 179.9° |
CX | CB | CA | HCA | 162.3° | 60.0° |
HCX1 | CX | CB | CA | 56.4° | 60.0° |
HCX1 | CX | CB | HCB1 | 178.3° | 180.0° |
HCX1 | CX | CB | HCB2 | 68.8° | 60.1° |
HCX2 | CX | CB | CA | 53.1° | 60.0° |
HCX2 | CX | CB | HCB1 | 72.2° | 60.1° |
HCX2 | CX | CB | HCB2 | 178.4° | 180.0° |
CA | CB | HCB1 | HCB2 | 115.8° | 120.0° |
CB | CA | N | C | 121.9° | 120.1° |
CB | CA | N | HCA | 121.2° | 120.0° |
CB | CA | C | HCA | 121.3° | 120.0° |
CB | CA | N | HN1 | 180.0° | 60.0° |
CB | CA | N | HN2 | 54.8° | 53.8° |
CB | CA | C | O | 65.1° | 90.0° |
CB | CA | C | O2 | 115.6° | 89.9° |
HCB1 | CB | CA | N | 50.3° | 60.0° |
HCB1 | CB | CA | C | 170.7° | 60.0° |
HCB1 | CB | CA | HCA | 72.5° | 180.0° |
HCB2 | CB | CA | N | 159.7° | 180.0° |
HCB2 | CB | CA | C | 79.8° | 59.9° |
HCB2 | CB | CA | HCA | 37.0° | 60.0° |
N | CA | C | HCA | 122.8° | 119.9° |
CA | N | HN1 | HN2 | 125.2° | 113.8° |
N | CA | C | O | 179.0° | 30.1° |
N | CA | C | O2 | 0.3° | 150.0° |
C | CA | N | HN1 | 58.1° | 60.1° |
C | CA | N | HN2 | 176.7° | 173.9° |
CA | C | O | O2 | 179.3° | 179.9° |
CA | C | O2 | HO2 | 179.9° | 179.9° |
HCA | CA | N | HN1 | 58.8° | 180.0° |
HCA | CA | N | HN2 | 66.5° | 66.2° |
HCA | CA | C | O | 56.2° | 150.0° |
HCA | CA | C | O2 | 123.1° | 30.1° |
O | C | O2 | HO2 | 0.6° | 0.0° |