CR7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | CA1 | sing | 1.48Å | 1.49Å | |
N1 | H | sing | 0.99Å | 1.02Å | |
N1 | H2 | sing | 0.99Å | 1.02Å | |
CA1 | CB1 | sing | 1.53Å | 1.53Å | |
CA1 | C1 | sing | 1.49Å | 1.49Å | |
CA1 | HA1 | sing | 1.09Å | 1.12Å | |
CB1 | CG1 | sing | 1.53Å | 1.52Å | |
CB1 | HB11 | sing | 1.10Å | 1.11Å | |
CB1 | HB12 | sing | 1.10Å | 1.11Å | |
CG1 | CD | sing | 1.53Å | 1.50Å | |
CG1 | HG11 | sing | 1.10Å | 1.12Å | |
CG1 | HG12 | sing | 1.10Å | 1.11Å | |
C1 | N2 | doub | 1.30Å | 1.43Å | |
C1 | N3 | sing | 1.36Å | 1.37Å | |
N2 | CA2 | sing | 1.37Å | 1.44Å | |
N3 | C2 | sing | 1.37Å | 1.44Å | |
N3 | CA3 | sing | 1.45Å | 1.43Å | |
C2 | O2 | doub | 1.22Å | 1.21Å | |
C2 | CA2 | sing | 1.48Å | 1.49Å | |
CA2 | CB2 | doub | 1.33Å | 1.33Å | |
CA3 | C3 | sing | 1.50Å | 1.47Å | |
CA3 | HA31 | sing | 1.09Å | 1.12Å | |
CA3 | HA32 | sing | 1.09Å | 1.11Å | |
C3 | O3 | doub | 1.22Å | 1.24Å | |
C3 | OXT | sing | 1.36Å | 102.07Å | |
CB2 | CG2 | sing | 1.43Å | 1.48Å | |
CB2 | HB2 | sing | 1.09Å | 1.10Å | |
CG2 | CD1 | doub | 1.41Å | 1.43Å | Aromatic |
CG2 | CD2 | sing | 1.41Å | 1.42Å | Aromatic |
CD1 | CE1 | sing | 1.39Å | 1.40Å | Aromatic |
CD1 | HD1 | sing | 1.09Å | 1.10Å | |
CD2 | CE2 | doub | 1.39Å | 1.38Å | Aromatic |
CD2 | HD2 | sing | 1.09Å | 1.10Å | |
CE1 | CZ | doub | 1.39Å | 1.41Å | Aromatic |
CE1 | HE1 | sing | 1.09Å | 1.10Å | |
CE2 | CZ | sing | 1.40Å | 1.41Å | Aromatic |
CE2 | HE2 | sing | 1.09Å | 1.10Å | |
CZ | OH | sing | 1.36Å | 1.47Å | |
OH | HOH | sing | 0.97Å | 0.95Å | |
CD | CE | sing | 1.53Å | 1.52Å | |
CD | HD1A | sing | 1.10Å | 1.12Å | |
CD | HD2A | sing | 1.10Å | 1.12Å | |
CE | NZ | sing | 1.46Å | 1.47Å | |
CE | HE1A | sing | 1.10Å | 1.11Å | |
CE | HE2A | sing | 1.10Å | 1.11Å | |
NZ | HNZ1 | sing | 1.00Å | 1.02Å | |
NZ | HNZ2 | sing | 1.00Å | 1.02Å | |
OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA1 | N1 | H | 110.0° | 117.2° |
CA1 | N1 | H2 | 112.0° | 117.3° |
N1 | CA1 | CB1 | 109.9° | 111.1° |
N1 | CA1 | C1 | 106.9° | 104.2° |
N1 | CA1 | HA1 | 111.1° | 109.6° |
H | N1 | H2 | 112.0° | 124.0° |
CB1 | CA1 | C1 | 110.3° | 111.0° |
CB1 | CA1 | HA1 | 107.8° | 112.0° |
CA1 | CB1 | CG1 | 112.6° | 112.4° |
CA1 | CB1 | HB11 | 111.0° | 110.3° |
CA1 | CB1 | HB12 | 111.0° | 109.2° |
C1 | CA1 | HA1 | 110.8° | 108.6° |
CA1 | C1 | N2 | 124.8° | 123.2° |
CA1 | C1 | N3 | 127.7° | 121.1° |
CG1 | CB1 | HB11 | 111.1° | 109.4° |
CG1 | CB1 | HB12 | 111.1° | 109.0° |
CB1 | CG1 | CD | 108.7° | 111.1° |
CB1 | CG1 | HG11 | 112.5° | 109.5° |
CB1 | CG1 | HG12 | 112.5° | 109.6° |
HB11 | CB1 | HB12 | 99.3° | 106.3° |
CD | CG1 | HG11 | 112.5° | 109.5° |
CD | CG1 | HG12 | 112.5° | 109.8° |
CG1 | CD | CE | 116.0° | 113.1° |
CG1 | CD | HD1A | 109.9° | 109.7° |
CG1 | CD | HD2A | 109.9° | 109.2° |
HG11 | CG1 | HG12 | 98.0° | 107.3° |
N2 | C1 | N3 | 107.5° | 115.7° |
C1 | N2 | CA2 | 107.6° | 104.1° |
C1 | N3 | C2 | 113.7° | 107.9° |
C1 | N3 | CA3 | 120.7° | 127.3° |
N2 | CA2 | C2 | 108.6° | 110.1° |
N2 | CA2 | CB2 | 128.3° | 126.7° |
C2 | N3 | CA3 | 123.3° | 124.9° |
N3 | C2 | O2 | 128.9° | 130.9° |
N3 | C2 | CA2 | 102.5° | 102.3° |
N3 | CA3 | C3 | 122.7° | 108.7° |
N3 | CA3 | HA31 | 107.6° | 108.9° |
N3 | CA3 | HA32 | 107.6° | 109.1° |
O2 | C2 | CA2 | 128.6° | 126.8° |
C2 | CA2 | CB2 | 123.0° | 123.2° |
CA2 | CB2 | CG2 | 130.3° | 124.7° |
CA2 | CB2 | HB2 | 108.7° | 117.6° |
C3 | CA3 | HA31 | 107.5° | 109.7° |
C3 | CA3 | HA32 | 107.5° | 109.9° |
CA3 | C3 | O3 | 117.3° | 126.4° |
CA3 | C3 | OXT | 165.1° | 109.9° |
HA31 | CA3 | HA32 | 102.3° | 110.6° |
O3 | C3 | OXT | 77.5° | 123.6° |
C3 | OXT | HXT | 165.1° | 111.9° |
CG2 | CB2 | HB2 | 121.1° | 117.7° |
CB2 | CG2 | CD1 | 124.1° | 120.7° |
CB2 | CG2 | CD2 | 115.2° | 120.7° |
CD1 | CG2 | CD2 | 120.6° | 118.6° |
CG2 | CD1 | CE1 | 120.2° | 120.7° |
CG2 | CD1 | HD1 | 120.6° | 120.1° |
CG2 | CD2 | CE2 | 119.7° | 120.7° |
CG2 | CD2 | HD2 | 121.3° | 120.2° |
CE1 | CD1 | HD1 | 119.2° | 119.2° |
CD1 | CE1 | CZ | 117.2° | 120.0° |
CD1 | CE1 | HE1 | 121.1° | 119.6° |
CE2 | CD2 | HD2 | 119.0° | 119.1° |
CD2 | CE2 | CZ | 118.9° | 120.0° |
CD2 | CE2 | HE2 | 119.7° | 119.7° |
CZ | CE1 | HE1 | 121.8° | 120.3° |
CE1 | CZ | CE2 | 123.3° | 120.0° |
CE1 | CZ | OH | 119.5° | 120.0° |
CZ | CE2 | HE2 | 121.4° | 120.3° |
CE2 | CZ | OH | 117.1° | 120.0° |
CZ | OH | HOH | 119.5° | 110.2° |
CE | CD | HD1A | 109.8° | 109.8° |
CE | CD | HD2A | 109.8° | 108.2° |
CD | CE | NZ | 107.8° | 112.0° |
CD | CE | HE1A | 112.8° | 109.9° |
CD | CE | HE2A | 112.8° | 109.2° |
HD1A | CD | HD2A | 100.3° | 106.7° |
NZ | CE | HE1A | 112.8° | 109.3° |
NZ | CE | HE2A | 112.8° | 109.0° |
CE | NZ | HNZ1 | 107.8° | 118.1° |
CE | NZ | HNZ2 | 112.8° | 118.2° |
HE1A | CE | HE2A | 97.7° | 107.4° |
HNZ1 | NZ | HNZ2 | 112.8° | 122.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA1 | N1 | H | H2 | 125.2° | 165.7° |
N1 | CA1 | CB1 | C1 | 117.7° | 115.4° |
N1 | CA1 | CB1 | HA1 | 121.3° | 123.0° |
N1 | CA1 | C1 | HA1 | 121.2° | 116.8° |
N1 | CA1 | CB1 | CG1 | 48.7° | 67.0° |
N1 | CA1 | CB1 | HB11 | 76.5° | 55.4° |
N1 | CA1 | CB1 | HB12 | 174.0° | 171.9° |
N1 | CA1 | C1 | N2 | 108.4° | 93.3° |
N1 | CA1 | C1 | N3 | 70.5° | 86.9° |
H | N1 | CA1 | CB1 | 180.0° | 161.8° |
H | N1 | CA1 | C1 | 60.3° | 78.6° |
H | N1 | CA1 | HA1 | 60.7° | 37.4° |
H2 | N1 | CA1 | CB1 | 54.8° | 4.9° |
H2 | N1 | CA1 | C1 | 174.5° | 114.7° |
H2 | N1 | CA1 | HA1 | 64.5° | 129.3° |
CB1 | CA1 | C1 | HA1 | 119.3° | 123.6° |
CA1 | CB1 | CG1 | HB11 | 125.2° | 122.9° |
CA1 | CB1 | CG1 | HB12 | 125.2° | 121.2° |
CA1 | CB1 | HB11 | HB12 | 116.9° | 118.2° |
CA1 | CB1 | CG1 | CD | 84.9° | 177.1° |
CA1 | CB1 | CG1 | HG11 | 40.3° | 56.0° |
CA1 | CB1 | CG1 | HG12 | 149.8° | 61.4° |
CB1 | CA1 | C1 | N2 | 11.1° | 26.4° |
CB1 | CA1 | C1 | N3 | 170.0° | 153.4° |
C1 | CA1 | CB1 | CG1 | 166.4° | 177.6° |
C1 | CA1 | CB1 | HB11 | 41.1° | 60.0° |
C1 | CA1 | CB1 | HB12 | 68.4° | 56.5° |
CA1 | C1 | N2 | N3 | 179.1° | 179.8° |
CA1 | C1 | N2 | CA2 | 177.8° | 179.9° |
CA1 | C1 | N3 | C2 | 175.8° | 180.0° |
CA1 | C1 | N3 | CA3 | 12.6° | 0.0° |
HA1 | CA1 | CB1 | CG1 | 72.6° | 56.0° |
HA1 | CA1 | CB1 | HB11 | 162.2° | 178.4° |
HA1 | CA1 | CB1 | HB12 | 52.7° | 65.1° |
HA1 | CA1 | C1 | N2 | 130.4° | 150.0° |
HA1 | CA1 | C1 | N3 | 50.7° | 29.9° |
CG1 | CB1 | HB11 | HB12 | 117.0° | 117.6° |
CB1 | CG1 | CD | HG11 | 125.2° | 121.0° |
CB1 | CG1 | CD | HG12 | 125.3° | 121.4° |
CB1 | CG1 | HG11 | HG12 | 118.4° | 118.9° |
CB1 | CG1 | CD | CE | 174.5° | 177.1° |
CB1 | CG1 | CD | HD1A | 49.2° | 60.0° |
CB1 | CG1 | CD | HD2A | 60.2° | 56.5° |
HB11 | CB1 | CG1 | CD | 149.9° | 60.0° |
HB11 | CB1 | CG1 | HG11 | 84.9° | 179.0° |
HB11 | CB1 | CG1 | HG12 | 24.6° | 61.5° |
HB12 | CB1 | CG1 | CD | 40.3° | 55.9° |
HB12 | CB1 | CG1 | HG11 | 165.5° | 65.1° |
HB12 | CB1 | CG1 | HG12 | 85.0° | 177.4° |
CD | CG1 | HG11 | HG12 | 118.4° | 119.1° |
CG1 | CD | CE | HD1A | 125.3° | 122.9° |
CG1 | CD | CE | HD2A | 125.3° | 121.1° |
CG1 | CD | HD1A | HD2A | 115.7° | 118.1° |
CG1 | CD | CE | NZ | 167.5° | 178.3° |
CG1 | CD | CE | HE1A | 42.2° | 60.0° |
CG1 | CD | CE | HE2A | 67.3° | 57.5° |
HG11 | CG1 | CD | CE | 60.3° | 56.0° |
HG11 | CG1 | CD | HD1A | 174.5° | 178.9° |
HG11 | CG1 | CD | HD2A | 65.0° | 64.5° |
HG12 | CG1 | CD | CE | 49.2° | 61.5° |
HG12 | CG1 | CD | HD1A | 76.0° | 61.4° |
HG12 | CG1 | CD | HD2A | 174.5° | 177.9° |
N2 | C1 | N3 | C2 | 3.3° | 0.1° |
N2 | C1 | N3 | CA3 | 166.5° | 179.8° |
C1 | N2 | CA2 | C2 | 1.0° | 0.0° |
C1 | N2 | CA2 | CB2 | 178.1° | 179.9° |
N3 | C1 | N2 | CA2 | 1.3° | 0.1° |
C1 | N3 | C2 | CA3 | 162.7° | 179.9° |
C1 | N3 | C2 | O2 | 179.5° | 179.9° |
C1 | N3 | C2 | CA2 | 3.8° | 0.1° |
C1 | N3 | CA3 | C3 | 113.9° | 89.3° |
C1 | N3 | CA3 | HA31 | 120.8° | 30.1° |
C1 | N3 | CA3 | HA32 | 11.3° | 150.8° |
N2 | CA2 | C2 | N3 | 2.8° | 0.0° |
N2 | CA2 | C2 | O2 | 179.5° | 180.0° |
N2 | CA2 | C2 | CB2 | 177.3° | 179.9° |
N2 | CA2 | CB2 | CG2 | 1.7° | 0.0° |
N2 | CA2 | CB2 | HB2 | 178.3° | 178.3° |
N3 | C2 | O2 | CA2 | 175.9° | 180.0° |
N3 | C2 | CA2 | CB2 | 180.0° | 180.0° |
C2 | N3 | CA3 | C3 | 84.6° | 90.6° |
C2 | N3 | CA3 | HA31 | 40.7° | 150.0° |
C2 | N3 | CA3 | HA32 | 150.2° | 29.2° |
CA3 | N3 | C2 | O2 | 16.8° | 0.1° |
CA3 | N3 | C2 | CA2 | 166.4° | 179.9° |
N3 | CA3 | C3 | HA31 | 125.3° | 119.0° |
N3 | CA3 | C3 | HA32 | 125.3° | 119.3° |
N3 | CA3 | HA31 | HA32 | 113.1° | 119.8° |
N3 | CA3 | C3 | O3 | 155.5° | 1.1° |
N3 | CA3 | C3 | OXT | 14.5° | 179.0° |
O2 | C2 | CA2 | CB2 | 3.2° | 0.0° |
C2 | CA2 | CB2 | CG2 | 178.4° | 180.0° |
C2 | CA2 | CB2 | HB2 | 1.6° | 1.8° |
CA2 | CB2 | CG2 | HB2 | 180.0° | 178.3° |
CA2 | CB2 | CG2 | CD1 | 1.7° | 88.2° |
CA2 | CB2 | CG2 | CD2 | 177.5° | 91.7° |
C3 | CA3 | HA31 | HA32 | 113.0° | 121.4° |
CA3 | C3 | O3 | OXT | 177.4° | 179.9° |
CA3 | C3 | OXT | HXT | 179.9° | 180.0° |
HA31 | CA3 | C3 | O3 | 30.2° | 120.0° |
HA31 | CA3 | C3 | OXT | 139.8° | 60.1° |
HA32 | CA3 | C3 | O3 | 79.2° | 118.2° |
HA32 | CA3 | C3 | OXT | 110.8° | 61.7° |
O3 | C3 | OXT | HXT | 9.0° | 0.1° |
CB2 | CG2 | CD1 | CD2 | 179.1° | 179.9° |
CB2 | CG2 | CD1 | CE1 | 179.5° | 180.0° |
CB2 | CG2 | CD1 | HD1 | 0.4° | 0.0° |
CB2 | CG2 | CD2 | CE2 | 179.0° | 180.0° |
CB2 | CG2 | CD2 | HD2 | 1.0° | 0.0° |
HB2 | CB2 | CG2 | CD1 | 178.3° | 90.0° |
HB2 | CB2 | CG2 | CD2 | 2.5° | 90.0° |
CG2 | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CD1 | CG2 | CD2 | CE2 | 0.2° | 0.0° |
CD1 | CG2 | CD2 | HD2 | 179.8° | 180.0° |
CG2 | CD1 | CE1 | CZ | 2.4° | 0.0° |
CG2 | CD1 | CE1 | HE1 | 177.6° | 179.9° |
CD2 | CG2 | CD1 | CE1 | 0.4° | 0.0° |
CD2 | CG2 | CD1 | HD1 | 179.6° | 180.0° |
CG2 | CD2 | CE2 | HD2 | 180.0° | 180.0° |
CG2 | CD2 | CE2 | CZ | 1.2° | 0.0° |
CG2 | CD2 | CE2 | HE2 | 178.8° | 180.0° |
CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
CD1 | CE1 | CZ | CE2 | 4.0° | 0.0° |
CD1 | CE1 | CZ | OH | 178.9° | 180.0° |
HD1 | CD1 | CE1 | CZ | 177.6° | 180.0° |
HD1 | CD1 | CE1 | HE1 | 2.4° | 0.0° |
CD2 | CE2 | CZ | CE1 | 3.5° | 0.0° |
CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
CD2 | CE2 | CZ | OH | 179.4° | 180.0° |
HD2 | CD2 | CE2 | CZ | 178.8° | 180.0° |
HD2 | CD2 | CE2 | HE2 | 1.2° | 0.0° |
CE1 | CZ | CE2 | OH | 177.2° | 180.0° |
CE1 | CZ | CE2 | HE2 | 176.5° | 180.0° |
CE1 | CZ | OH | HOH | 180.0° | 23.4° |
HE1 | CE1 | CZ | CE2 | 176.0° | 180.0° |
HE1 | CE1 | CZ | OH | 1.1° | 0.0° |
CE2 | CZ | OH | HOH | 2.7° | 156.6° |
HE2 | CE2 | CZ | OH | 0.6° | 0.0° |
CE | CD | HD1A | HD2A | 115.6° | 117.0° |
CD | CE | NZ | HE1A | 125.2° | 122.1° |
CD | CE | NZ | HE2A | 125.3° | 120.9° |
CD | CE | HE1A | HE2A | 118.8° | 118.7° |
CD | CE | NZ | HNZ1 | 180.0° | 70.9° |
CD | CE | NZ | HNZ2 | 54.7° | 122.5° |
HD1A | CD | CE | NZ | 67.2° | 58.8° |
HD1A | CD | CE | HE1A | 167.5° | 62.9° |
HD1A | CD | CE | HE2A | 58.0° | 179.6° |
HD2A | CD | CE | NZ | 42.2° | 57.3° |
HD2A | CD | CE | HE1A | 83.0° | 178.9° |
HD2A | CD | CE | HE2A | 167.5° | 63.5° |
NZ | CE | HE1A | HE2A | 118.7° | 118.1° |
CE | NZ | HNZ1 | HNZ2 | 125.3° | 166.0° |
HE1A | CE | NZ | HNZ1 | 54.7° | 51.1° |
HE1A | CE | NZ | HNZ2 | 70.5° | 115.5° |
HE2A | CE | NZ | HNZ1 | 54.7° | 168.2° |
HE2A | CE | NZ | HNZ2 | 180.0° | 1.6° |