CH7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NZ | CA1 | doub | 1.28Å | 1.35Å | |
NZ | CE | sing | 1.46Å | 1.42Å | |
CA1 | CB | sing | 1.50Å | 1.55Å | |
CA1 | C1 | sing | 1.49Å | 1.51Å | |
CB | CG | sing | 1.52Å | 1.55Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2A | sing | 1.10Å | 1.10Å | |
CG | CD | sing | 1.52Å | 1.54Å | |
CG | HG1 | sing | 1.10Å | 1.10Å | |
CG | HG2 | sing | 1.10Å | 1.10Å | |
CD | CE | sing | 1.52Å | 1.53Å | |
CD | HD1A | sing | 1.09Å | 1.10Å | |
CD | HD2A | sing | 1.10Å | 1.10Å | |
CE | HE1A | sing | 1.10Å | 1.10Å | |
CE | HE2A | sing | 1.10Å | 1.10Å | |
C1 | N2 | doub | 1.30Å | 1.33Å | |
C1 | N3 | sing | 1.36Å | 1.43Å | |
N2 | CA2 | sing | 1.38Å | 1.41Å | |
OH | CZ | sing | 1.36Å | 1.25Å | |
OH | HOH | sing | 0.97Å | 0.95Å | |
CD2 | CE2 | sing | 1.39Å | 1.37Å | Aromatic |
CD2 | CG2 | doub | 1.41Å | 1.43Å | Aromatic |
CD2 | HD2 | sing | 1.09Å | 1.08Å | |
CE2 | CZ | doub | 1.39Å | 1.46Å | Aromatic |
CE2 | HE2 | sing | 1.09Å | 1.08Å | |
CZ | CE1 | sing | 1.39Å | 1.46Å | Aromatic |
CE1 | CD1 | doub | 1.40Å | 1.36Å | Aromatic |
CE1 | HE1 | sing | 1.09Å | 1.08Å | |
CD1 | CG2 | sing | 1.40Å | 1.43Å | Aromatic |
CD1 | HD1 | sing | 1.09Å | 1.08Å | |
CG2 | CB2 | sing | 1.43Å | 1.39Å | |
CB2 | CA2 | doub | 1.33Å | 1.38Å | |
CB2 | HB2 | sing | 1.09Å | 1.08Å | |
CA2 | C2 | sing | 1.49Å | 1.50Å | |
C2 | O2 | doub | 1.22Å | 1.24Å | |
C2 | N3 | sing | 1.37Å | 1.43Å | |
N3 | CA3 | sing | 1.45Å | 1.42Å | |
CA3 | C3 | sing | 1.50Å | 1.52Å | |
CA3 | HA31 | sing | 1.09Å | 1.10Å | |
CA3 | HA32 | sing | 1.09Å | 1.10Å | |
C3 | O3 | doub | 1.22Å | 1.22Å | |
C3 | OXT | sing | 1.36Å | 88.33Å | |
OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA1 | NZ | CE | 112.4° | 119.3° |
NZ | CA1 | CB | 123.5° | 127.1° |
NZ | CA1 | C1 | 121.2° | 116.6° |
NZ | CE | CD | 109.3° | 113.5° |
NZ | CE | HE1A | 109.6° | 108.7° |
NZ | CE | HE2A | 109.5° | 108.6° |
CB | CA1 | C1 | 115.3° | 116.3° |
CA1 | CB | CG | 114.9° | 112.1° |
CA1 | CB | HB1 | 106.4° | 109.6° |
CA1 | CB | HB2A | 107.7° | 107.2° |
CA1 | C1 | N2 | 124.7° | 121.8° |
CA1 | C1 | N3 | 121.9° | 121.4° |
CG | CB | HB1 | 106.4° | 110.4° |
CG | CB | HB2A | 107.7° | 109.9° |
CB | CG | CD | 113.3° | 109.5° |
CB | CG | HG1 | 107.4° | 109.8° |
CB | CG | HG2 | 108.2° | 110.1° |
HB1 | CB | HB2A | 113.9° | 107.6° |
CD | CG | HG1 | 107.4° | 109.7° |
CD | CG | HG2 | 108.2° | 110.6° |
CG | CD | CE | 110.6° | 109.3° |
CG | CD | HD1A | 108.8° | 110.3° |
CG | CD | HD2A | 109.1° | 110.0° |
HG1 | CG | HG2 | 112.5° | 107.1° |
CE | CD | HD1A | 108.8° | 109.8° |
CE | CD | HD2A | 109.1° | 110.0° |
CD | CE | HE1A | 109.6° | 110.2° |
CD | CE | HE2A | 109.5° | 108.9° |
HD1A | CD | HD2A | 110.4° | 107.3° |
HE1A | CE | HE2A | 109.3° | 106.8° |
N2 | C1 | N3 | 113.4° | 116.7° |
C1 | N2 | CA2 | 107.1° | 103.5° |
C1 | N3 | C2 | 106.3° | 107.1° |
C1 | N3 | CA3 | 125.8° | 126.5° |
N2 | CA2 | CB2 | 128.7° | 126.7° |
N2 | CA2 | C2 | 109.0° | 110.2° |
CZ | OH | HOH | 109.5° | 110.2° |
OH | CZ | CE2 | 123.4° | 120.0° |
OH | CZ | CE1 | 121.8° | 120.0° |
CE2 | CD2 | CG2 | 121.8° | 120.7° |
CE2 | CD2 | HD2 | 119.1° | 119.1° |
CD2 | CE2 | CZ | 122.4° | 120.0° |
CD2 | CE2 | HE2 | 118.8° | 119.7° |
CG2 | CD2 | HD2 | 119.1° | 120.2° |
CD2 | CG2 | CD1 | 116.3° | 118.6° |
CD2 | CG2 | CB2 | 126.0° | 120.7° |
CZ | CE2 | HE2 | 118.8° | 120.3° |
CE2 | CZ | CE1 | 114.8° | 120.0° |
CZ | CE1 | CD1 | 121.6° | 120.0° |
CZ | CE1 | HE1 | 119.2° | 120.4° |
CD1 | CE1 | HE1 | 119.2° | 119.6° |
CE1 | CD1 | CG2 | 122.9° | 120.7° |
CE1 | CD1 | HD1 | 118.5° | 119.2° |
CG2 | CD1 | HD1 | 118.6° | 120.1° |
CD1 | CG2 | CB2 | 117.7° | 120.7° |
CG2 | CB2 | CA2 | 129.4° | 124.7° |
CG2 | CB2 | HB2 | 115.3° | 117.7° |
CA2 | CB2 | HB2 | 115.3° | 117.6° |
CB2 | CA2 | C2 | 122.4° | 123.1° |
CA2 | C2 | O2 | 131.6° | 126.7° |
CA2 | C2 | N3 | 104.2° | 102.5° |
O2 | C2 | N3 | 124.2° | 130.8° |
C2 | N3 | CA3 | 127.8° | 126.5° |
N3 | CA3 | C3 | 118.8° | 108.7° |
N3 | CA3 | HA31 | 104.3° | 108.9° |
N3 | CA3 | HA32 | 106.5° | 109.1° |
C3 | CA3 | HA31 | 104.3° | 109.7° |
C3 | CA3 | HA32 | 106.5° | 109.9° |
CA3 | C3 | O3 | 119.0° | 126.5° |
CA3 | C3 | OXT | 10.6° | 109.9° |
HA31 | CA3 | HA32 | 117.1° | 110.5° |
O3 | C3 | OXT | 108.7° | 123.6° |
C3 | OXT | HXT | 10.5° | 111.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NZ | CA1 | CB | C1 | 179.3° | 177.7° |
NZ | CA1 | CB | CG | 6.8° | 11.4° |
NZ | CA1 | CB | HB1 | 124.3° | 134.3° |
NZ | CA1 | CB | HB2A | 113.2° | 109.2° |
CA1 | NZ | CE | CD | 62.4° | 23.8° |
CA1 | NZ | CE | HE1A | 177.5° | 99.2° |
CA1 | NZ | CE | HE2A | 57.6° | 145.0° |
NZ | CA1 | C1 | N2 | 179.6° | 87.9° |
NZ | CA1 | C1 | N3 | 1.0° | 92.0° |
CE | NZ | CA1 | CB | 33.4° | 2.8° |
CE | NZ | CA1 | C1 | 147.3° | 179.5° |
NZ | CE | CD | CG | 66.3° | 52.7° |
NZ | CE | CD | HE1A | 120.1° | 122.1° |
NZ | CE | CD | HE2A | 120.0° | 121.0° |
NZ | CE | CD | HD1A | 174.2° | 173.8° |
NZ | CE | CD | HD2A | 53.7° | 68.2° |
NZ | CE | HE1A | HE2A | 120.0° | 116.9° |
CA1 | CB | CG | HB1 | 117.5° | 122.5° |
CA1 | CB | CG | HB2A | 120.0° | 119.1° |
CA1 | CB | HB1 | HB2A | 118.5° | 116.2° |
CA1 | CB | CG | CD | 10.3° | 39.6° |
CA1 | CB | CG | HG1 | 108.1° | 80.9° |
CA1 | CB | CG | HG2 | 130.2° | 161.4° |
CB | CA1 | C1 | N2 | 0.3° | 90.0° |
CB | CA1 | C1 | N3 | 179.6° | 90.1° |
C1 | CA1 | CB | CG | 173.9° | 170.9° |
C1 | CA1 | CB | HB1 | 56.3° | 48.0° |
C1 | CA1 | CB | HB2A | 66.2° | 68.4° |
CA1 | C1 | N2 | N3 | 179.4° | 179.9° |
CA1 | C1 | N2 | CA2 | 179.8° | 180.0° |
CA1 | C1 | N3 | C2 | 179.3° | 179.9° |
CA1 | C1 | N3 | CA3 | 3.2° | 0.1° |
CG | CB | HB1 | HB2A | 118.5° | 119.9° |
CB | CG | CD | HG1 | 118.3° | 120.6° |
CB | CG | CD | HG2 | 120.0° | 121.5° |
CB | CG | HG1 | HG2 | 119.0° | 119.5° |
CB | CG | CD | CE | 38.5° | 60.3° |
CB | CG | CD | HD1A | 158.0° | 178.8° |
CB | CG | CD | HD2A | 81.5° | 60.6° |
HB1 | CB | CG | CD | 127.8° | 162.1° |
HB1 | CB | CG | HG1 | 9.4° | 41.5° |
HB1 | CB | CG | HG2 | 112.3° | 76.1° |
HB2A | CB | CG | CD | 109.7° | 79.4° |
HB2A | CB | CG | HG1 | 131.9° | 160.0° |
HB2A | CB | CG | HG2 | 10.3° | 42.4° |
CD | CG | HG1 | HG2 | 118.9° | 120.1° |
CG | CD | CE | HD1A | 119.5° | 121.2° |
CG | CD | CE | HD2A | 120.0° | 120.9° |
CG | CD | HD1A | HD2A | 119.7° | 119.8° |
CG | CD | CE | HE1A | 173.7° | 69.4° |
CG | CD | CE | HE2A | 53.7° | 173.7° |
HG1 | CG | CD | CE | 79.8° | 60.3° |
HG1 | CG | CD | HD1A | 39.7° | 60.6° |
HG1 | CG | CD | HD2A | 160.2° | 178.8° |
HG2 | CG | CD | CE | 158.5° | 178.2° |
HG2 | CG | CD | HD1A | 82.0° | 57.3° |
HG2 | CG | CD | HD2A | 38.5° | 60.9° |
CE | CD | HD1A | HD2A | 119.7° | 119.6° |
CD | CE | HE1A | HE2A | 120.1° | 118.1° |
HD1A | CD | CE | HE1A | 54.2° | 51.7° |
HD1A | CD | CE | HE2A | 65.8° | 65.2° |
HD2A | CD | CE | HE1A | 66.3° | 169.7° |
HD2A | CD | CE | HE2A | 173.7° | 52.8° |
C1 | N2 | CA2 | CB2 | 179.9° | 179.9° |
C1 | N2 | CA2 | C2 | 0.0° | 0.0° |
N2 | C1 | N3 | C2 | 1.3° | 0.1° |
N2 | C1 | N3 | CA3 | 177.4° | 179.9° |
N3 | C1 | N2 | CA2 | 0.8° | 0.1° |
C1 | N3 | C2 | CA2 | 1.1° | 0.1° |
C1 | N3 | C2 | O2 | 179.7° | 180.0° |
C1 | N3 | C2 | CA3 | 176.1° | 180.0° |
C1 | N3 | CA3 | C3 | 117.3° | 89.4° |
C1 | N3 | CA3 | HA31 | 1.7° | 30.0° |
C1 | N3 | CA3 | HA32 | 122.7° | 150.8° |
N2 | CA2 | CB2 | CG2 | 0.1° | 0.0° |
N2 | CA2 | CB2 | C2 | 179.9° | 179.9° |
N2 | CA2 | CB2 | HB2 | 179.9° | 178.4° |
N2 | CA2 | C2 | O2 | 179.8° | 179.9° |
N2 | CA2 | C2 | N3 | 0.7° | 0.0° |
OH | CZ | CE2 | CD2 | 172.2° | 180.0° |
OH | CZ | CE2 | CE1 | 177.5° | 180.0° |
OH | CZ | CE2 | HE2 | 7.8° | 0.0° |
OH | CZ | CE1 | CD1 | 172.3° | 180.0° |
OH | CZ | CE1 | HE1 | 7.7° | 0.0° |
HOH | OH | CZ | CE2 | 53.2° | 20.6° |
HOH | OH | CZ | CE1 | 129.4° | 159.4° |
CE2 | CD2 | CG2 | HD2 | 180.0° | 179.9° |
CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
CD2 | CE2 | CZ | CE1 | 5.3° | 0.0° |
CE2 | CD2 | CG2 | CD1 | 0.0° | 0.0° |
CE2 | CD2 | CG2 | CB2 | 179.9° | 180.0° |
CG2 | CD2 | CE2 | CZ | 2.9° | 0.0° |
CG2 | CD2 | CE2 | HE2 | 177.1° | 180.0° |
CD2 | CG2 | CD1 | CE1 | 0.1° | 0.0° |
CD2 | CG2 | CD1 | CB2 | 179.8° | 180.0° |
CD2 | CG2 | CD1 | HD1 | 179.9° | 180.0° |
CD2 | CG2 | CB2 | CA2 | 179.9° | 88.3° |
CD2 | CG2 | CB2 | HB2 | 0.1° | 90.0° |
HD2 | CD2 | CE2 | CZ | 177.1° | 179.9° |
HD2 | CD2 | CE2 | HE2 | 2.9° | 0.0° |
HD2 | CD2 | CG2 | CD1 | 180.0° | 180.0° |
HD2 | CD2 | CG2 | CB2 | 0.1° | 0.1° |
CE2 | CZ | CE1 | CD1 | 5.3° | 0.0° |
CE2 | CZ | CE1 | HE1 | 174.7° | 180.0° |
HE2 | CE2 | CZ | CE1 | 174.7° | 180.0° |
CZ | CE1 | CD1 | HE1 | 180.0° | 180.0° |
CZ | CE1 | CD1 | CG2 | 2.9° | 0.0° |
CZ | CE1 | CD1 | HD1 | 177.1° | 180.0° |
CE1 | CD1 | CG2 | HD1 | 180.0° | 180.0° |
CE1 | CD1 | CG2 | CB2 | 179.9° | 180.0° |
HE1 | CE1 | CD1 | CG2 | 177.1° | 180.0° |
HE1 | CE1 | CD1 | HD1 | 2.9° | 0.0° |
CD1 | CG2 | CB2 | CA2 | 0.0° | 91.7° |
CD1 | CG2 | CB2 | HB2 | 180.0° | 90.0° |
HD1 | CD1 | CG2 | CB2 | 0.1° | 0.0° |
CG2 | CB2 | CA2 | HB2 | 180.0° | 178.3° |
CG2 | CB2 | CA2 | C2 | 180.0° | 180.0° |
CB2 | CA2 | C2 | O2 | 0.1° | 0.1° |
CB2 | CA2 | C2 | N3 | 179.2° | 180.0° |
HB2 | CB2 | CA2 | C2 | 0.0° | 1.7° |
CA2 | C2 | O2 | N3 | 179.0° | 179.9° |
CA2 | C2 | N3 | CA3 | 177.2° | 179.9° |
O2 | C2 | N3 | CA3 | 3.6° | 0.0° |
C2 | N3 | CA3 | C3 | 67.4° | 90.6° |
C2 | N3 | CA3 | HA31 | 177.1° | 150.0° |
C2 | N3 | CA3 | HA32 | 52.6° | 29.2° |
N3 | CA3 | C3 | HA31 | 115.6° | 119.0° |
N3 | CA3 | C3 | HA32 | 120.0° | 119.3° |
N3 | CA3 | HA31 | HA32 | 117.3° | 119.9° |
N3 | CA3 | C3 | O3 | 136.0° | 31.0° |
N3 | CA3 | C3 | OXT | 125.4° | 149.0° |
C3 | CA3 | HA31 | HA32 | 117.4° | 121.3° |
CA3 | C3 | O3 | OXT | 2.0° | 180.0° |
CA3 | C3 | OXT | HXT | 179.9° | 180.0° |
HA31 | CA3 | C3 | O3 | 108.5° | 150.0° |
HA31 | CA3 | C3 | OXT | 119.0° | 30.0° |
HA32 | CA3 | C3 | O3 | 16.0° | 88.3° |
HA32 | CA3 | C3 | OXT | 5.5° | 91.7° |
O3 | C3 | OXT | HXT | 9.8° | 0.0° |