Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CT | sing | 1.47Å | 1.35Å | |
N | CN | sing | 1.47Å | 1.51Å | |
N | CA | sing | 1.47Å | 1.46Å | |
CT | HCT1 | sing | 1.09Å | 1.12Å | |
CT | HCT2 | sing | 1.09Å | 1.11Å | |
CT | HCT3 | sing | 1.09Å | 1.12Å | |
CN | HCN1 | sing | 1.09Å | 1.11Å | |
CN | HCN2 | sing | 1.09Å | 1.12Å | |
CN | HCN3 | sing | 1.09Å | 1.11Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.60Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
C | O | doub | 1.21Å | 1.24Å | |
C | OXT | sing | 1.34Å | 1.34Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
CB | OG1 | sing | 1.43Å | 1.43Å | |
CB | CG2 | sing | 1.53Å | 1.56Å | |
CB | HB | sing | 1.09Å | 1.11Å | |
OG1 | HG1 | sing | 0.97Å | 0.95Å | |
CG2 | CD1 | sing | 1.53Å | 1.52Å | |
CG2 | CD2 | sing | 1.53Å | 1.57Å | |
CG2 | HG2 | sing | 1.09Å | 1.11Å | |
CD1 | HD11 | sing | 1.09Å | 1.12Å | |
CD1 | HD12 | sing | 1.09Å | 1.11Å | |
CD1 | HD13 | sing | 1.09Å | 1.11Å | |
CD2 | CE | sing | 1.51Å | 1.53Å | |
CD2 | HD21 | sing | 1.09Å | 1.12Å | |
CD2 | HD22 | sing | 1.09Å | 1.12Å | |
CE | CZ | doub | 1.31Å | 1.32Å | |
CE | HE | sing | 1.08Å | 1.10Å | |
CZ | CH | sing | 1.51Å | 1.52Å | |
CZ | HZ | sing | 1.08Å | 1.10Å | |
CH | HH1 | sing | 1.09Å | 1.11Å | |
CH | HH2 | sing | 1.09Å | 1.12Å | |
CH | HH3 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CT | N | CN | 125.5° | 106.7° |
CT | N | CA | 114.6° | 106.7° |
N | CT | HCT1 | 125.5° | 109.5° |
N | CT | HCT2 | 106.5° | 109.5° |
N | CT | HCT3 | 106.6° | 109.5° |
CN | N | CA | 118.3° | 106.7° |
N | CN | HCN1 | 125.5° | 109.5° |
N | CN | HCN2 | 106.5° | 109.5° |
N | CN | HCN3 | 106.6° | 109.5° |
N | CA | C | 112.4° | 109.4° |
N | CA | CB | 112.7° | 109.5° |
N | CA | HA | 105.3° | 109.5° |
HCT1 | CT | HCT2 | 106.6° | 109.4° |
HCT1 | CT | HCT3 | 106.5° | 109.4° |
HCT2 | CT | HCT3 | 103.0° | 109.5° |
HCN1 | CN | HCN2 | 106.5° | 109.5° |
HCN1 | CN | HCN3 | 106.6° | 109.5° |
HCN2 | CN | HCN3 | 103.0° | 109.5° |
C | CA | CB | 110.1° | 109.5° |
C | CA | HA | 108.3° | 109.4° |
CA | C | O | 123.7° | 120.0° |
CA | C | OXT | 115.4° | 120.0° |
CB | CA | HA | 107.8° | 109.5° |
CA | CB | OG1 | 108.9° | 109.5° |
CA | CB | CG2 | 112.8° | 109.4° |
CA | CB | HB | 107.0° | 109.4° |
O | C | OXT | 120.6° | 119.9° |
C | OXT | HXT | 115.3° | 120.0° |
OG1 | CB | CG2 | 107.3° | 109.5° |
OG1 | CB | HB | 112.4° | 109.5° |
CB | OG1 | HG1 | 108.9° | 106.8° |
CG2 | CB | HB | 108.5° | 109.5° |
CB | CG2 | CD1 | 111.3° | 109.5° |
CB | CG2 | CD2 | 109.1° | 109.4° |
CB | CG2 | HG2 | 109.4° | 109.5° |
CD1 | CG2 | CD2 | 111.9° | 109.5° |
CD1 | CG2 | HG2 | 106.4° | 109.5° |
CG2 | CD1 | HD11 | 111.3° | 109.5° |
CG2 | CD1 | HD12 | 111.6° | 109.4° |
CG2 | CD1 | HD13 | 111.6° | 109.5° |
CD2 | CG2 | HG2 | 108.6° | 109.5° |
CG2 | CD2 | CE | 120.1° | 109.4° |
CG2 | CD2 | HD21 | 108.4° | 109.5° |
CG2 | CD2 | HD22 | 108.4° | 109.5° |
HD11 | CD1 | HD12 | 111.5° | 109.4° |
HD11 | CD1 | HD13 | 111.5° | 109.5° |
HD12 | CD1 | HD13 | 98.8° | 109.5° |
CE | CD2 | HD21 | 108.4° | 109.5° |
CE | CD2 | HD22 | 108.4° | 109.5° |
CD2 | CE | CZ | 121.2° | 120.0° |
CD2 | CE | HE | 126.7° | 120.0° |
HD21 | CD2 | HD22 | 101.5° | 109.4° |
CZ | CE | HE | 112.1° | 120.0° |
CE | CZ | CH | 123.3° | 120.0° |
CE | CZ | HZ | 111.1° | 120.0° |
CH | CZ | HZ | 125.7° | 120.0° |
CZ | CH | HH1 | 123.3° | 109.4° |
CZ | CH | HH2 | 107.3° | 109.5° |
CZ | CH | HH3 | 107.3° | 109.4° |
HH1 | CH | HH2 | 107.3° | 109.4° |
HH1 | CH | HH3 | 107.3° | 109.5° |
HH2 | CH | HH3 | 102.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CT | N | CN | CA | 165.2° | 113.8° |
N | CT | HCT1 | HCT2 | 125.3° | 120.0° |
N | CT | HCT1 | HCT3 | 125.2° | 120.0° |
N | CT | HCT2 | HCT3 | 112.0° | 120.1° |
CT | N | CN | HCN1 | 179.9° | 55.7° |
CT | N | CN | HCN2 | 54.8° | 64.3° |
CT | N | CN | HCN3 | 54.7° | 175.7° |
CT | N | CA | C | 106.8° | 148.8° |
CT | N | CA | CB | 128.1° | 91.2° |
CT | N | CA | HA | 10.8° | 28.8° |
CN | N | CT | HCT1 | 180.0° | 73.6° |
CN | N | CT | HCT2 | 54.7° | 166.4° |
CN | N | CT | HCT3 | 54.8° | 46.3° |
N | CN | HCN1 | HCN2 | 125.2° | 120.0° |
N | CN | HCN1 | HCN3 | 125.3° | 120.0° |
N | CN | HCN2 | HCN3 | 112.0° | 120.0° |
CN | N | CA | C | 60.0° | 35.0° |
CN | N | CA | CB | 65.1° | 155.0° |
CN | N | CA | HA | 177.6° | 84.9° |
CA | N | CT | HCT1 | 14.4° | 172.6° |
CA | N | CT | HCT2 | 111.0° | 52.6° |
CA | N | CT | HCT3 | 139.6° | 67.5° |
CA | N | CN | HCN1 | 14.9° | 169.5° |
CA | N | CN | HCN2 | 140.1° | 49.5° |
CA | N | CN | HCN3 | 110.5° | 70.5° |
N | CA | C | CB | 126.5° | 120.1° |
N | CA | C | HA | 115.9° | 120.0° |
N | CA | CB | HA | 115.8° | 120.1° |
N | CA | C | O | 0.8° | 135.0° |
N | CA | C | OXT | 172.3° | 45.1° |
N | CA | CB | OG1 | 65.8° | 57.0° |
N | CA | CB | CG2 | 53.2° | 63.0° |
N | CA | CB | HB | 172.5° | 177.0° |
HCT1 | CT | HCT2 | HCT3 | 111.9° | 120.0° |
HCN1 | CN | HCN2 | HCN3 | 112.0° | 120.0° |
C | CA | CB | HA | 117.9° | 119.9° |
CA | C | O | OXT | 172.7° | 179.9° |
CA | C | OXT | HXT | 180.0° | 180.0° |
C | CA | CB | OG1 | 60.6° | 63.0° |
C | CA | CB | CG2 | 179.6° | 177.0° |
C | CA | CB | HB | 61.2° | 57.0° |
CB | CA | C | O | 125.8° | 105.0° |
CB | CA | C | OXT | 61.2° | 75.0° |
CA | CB | OG1 | CG2 | 122.4° | 120.0° |
CA | CB | OG1 | HB | 118.4° | 120.0° |
CA | CB | CG2 | HB | 118.3° | 119.9° |
CA | CB | OG1 | HG1 | 180.0° | 55.4° |
CA | CB | CG2 | CD1 | 54.7° | 60.0° |
CA | CB | CG2 | CD2 | 178.7° | 180.0° |
CA | CB | CG2 | HG2 | 62.5° | 60.0° |
HA | CA | C | O | 116.6° | 15.0° |
HA | CA | C | OXT | 56.5° | 165.1° |
HA | CA | CB | OG1 | 178.5° | 177.1° |
HA | CA | CB | CG2 | 62.5° | 57.1° |
HA | CA | CB | HB | 56.7° | 62.9° |
O | C | OXT | HXT | 6.7° | 0.1° |
OG1 | CB | CG2 | HB | 121.7° | 120.1° |
OG1 | CB | CG2 | CD1 | 174.7° | 180.0° |
OG1 | CB | CG2 | CD2 | 61.3° | 60.0° |
OG1 | CB | CG2 | HG2 | 57.4° | 60.0° |
CG2 | CB | OG1 | HG1 | 57.6° | 64.5° |
CB | CG2 | CD1 | CD2 | 122.4° | 120.0° |
CB | CG2 | CD1 | HG2 | 119.1° | 120.0° |
CB | CG2 | CD2 | HG2 | 119.2° | 120.0° |
CB | CG2 | CD1 | HD11 | 180.0° | 59.9° |
CB | CG2 | CD1 | HD12 | 54.8° | 60.0° |
CB | CG2 | CD1 | HD13 | 54.8° | 180.0° |
CB | CG2 | CD2 | CE | 63.7° | 180.0° |
CB | CG2 | CD2 | HD21 | 171.0° | 60.0° |
CB | CG2 | CD2 | HD22 | 61.6° | 60.0° |
HB | CB | OG1 | HG1 | 61.6° | 175.4° |
HB | CB | CG2 | CD1 | 63.6° | 59.9° |
HB | CB | CG2 | CD2 | 60.4° | 60.1° |
HB | CB | CG2 | HG2 | 179.1° | 179.9° |
CD1 | CG2 | CD2 | HG2 | 117.2° | 120.0° |
CG2 | CD1 | HD11 | HD12 | 125.3° | 120.0° |
CG2 | CD1 | HD11 | HD13 | 125.3° | 120.0° |
CG2 | CD1 | HD12 | HD13 | 117.5° | 120.0° |
CD1 | CG2 | CD2 | CE | 59.9° | 60.0° |
CD1 | CG2 | CD2 | HD21 | 65.4° | 60.0° |
CD1 | CG2 | CD2 | HD22 | 174.8° | 180.0° |
CD2 | CG2 | CD1 | HD11 | 57.6° | 60.0° |
CD2 | CG2 | CD1 | HD12 | 67.7° | 180.0° |
CD2 | CG2 | CD1 | HD13 | 177.2° | 60.0° |
CG2 | CD2 | CE | HD21 | 125.3° | 120.0° |
CG2 | CD2 | CE | HD22 | 125.3° | 120.0° |
CG2 | CD2 | HD21 | HD22 | 114.1° | 120.0° |
CG2 | CD2 | CE | CZ | 113.7° | 120.0° |
CG2 | CD2 | CE | HE | 66.4° | 60.1° |
HG2 | CG2 | CD1 | HD11 | 60.9° | 179.9° |
HG2 | CG2 | CD1 | HD12 | 173.8° | 60.0° |
HG2 | CG2 | CD1 | HD13 | 64.3° | 60.0° |
HG2 | CG2 | CD2 | CE | 177.0° | 60.0° |
HG2 | CG2 | CD2 | HD21 | 51.8° | 180.0° |
HG2 | CG2 | CD2 | HD22 | 57.6° | 60.0° |
HD11 | CD1 | HD12 | HD13 | 117.4° | 120.0° |
CE | CD2 | HD21 | HD22 | 114.0° | 120.0° |
CD2 | CE | CZ | HE | 180.0° | 179.9° |
CD2 | CE | CZ | CH | 179.4° | 180.0° |
CD2 | CE | CZ | HZ | 0.6° | 0.1° |
HD21 | CD2 | CE | CZ | 121.0° | 120.0° |
HD21 | CD2 | CE | HE | 58.9° | 59.9° |
HD22 | CD2 | CE | CZ | 11.7° | 0.0° |
HD22 | CD2 | CE | HE | 168.3° | 179.9° |
CE | CZ | CH | HZ | 180.0° | 180.0° |
CE | CZ | CH | HH1 | 180.0° | 180.0° |
CE | CZ | CH | HH2 | 54.7° | 60.1° |
CE | CZ | CH | HH3 | 54.7° | 60.0° |
HE | CE | CZ | CH | 0.6° | 0.0° |
HE | CE | CZ | HZ | 179.4° | 180.0° |
CZ | CH | HH1 | HH2 | 125.3° | 120.0° |
CZ | CH | HH1 | HH3 | 125.3° | 120.0° |
CZ | CH | HH2 | HH3 | 112.8° | 120.0° |
HZ | CZ | CH | HH1 | 0.0° | 0.0° |
HZ | CZ | CH | HH2 | 125.3° | 120.0° |
HZ | CZ | CH | HH3 | 125.2° | 120.0° |
HH1 | CH | HH2 | HH3 | 112.8° | 120.0° |