Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.45Å | |
N | HN1 | sing | 1.01Å | 1.00Å | |
N | HN2 | sing | 1.01Å | 1.00Å | |
CA | CB | sing | 1.53Å | 1.52Å | |
CA | C2 | sing | 1.53Å | 1.54Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | CG | sing | 1.51Å | 1.53Å | |
CB | HBC1 | sing | 1.09Å | 1.10Å | |
CB | HBC2 | sing | 1.09Å | 1.10Å | |
CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
CG | CD2 | doub | 1.38Å | 1.42Å | Aromatic |
CD1 | CE1 | doub | 1.38Å | 1.41Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CD2 | CE2 | sing | 1.38Å | 1.41Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CE2 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
CZ | HZ | sing | 1.08Å | 1.08Å | |
C1 | C2 | sing | 1.53Å | 1.57Å | |
C1 | CA1 | sing | 1.53Å | 1.53Å | |
C1 | H1C1 | sing | 1.09Å | 1.10Å | |
C1 | H1C2 | sing | 1.09Å | 1.10Å | |
C2 | O | sing | 1.43Å | 1.40Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O | H | sing | 0.97Å | 0.95Å | |
CA1 | C | sing | 1.51Å | 1.51Å | |
CA1 | HA11 | sing | 1.09Å | 1.10Å | |
CA1 | HA12 | sing | 1.09Å | 1.10Å | |
C | O1 | doub | 1.21Å | 1.25Å | |
C | OXT | sing | 1.34Å | 1.33Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | HN1 | 109.5° | 111.0° |
CA | N | HN2 | 109.5° | 111.0° |
N | CA | CB | 112.5° | 109.5° |
N | CA | C2 | 107.8° | 109.5° |
N | CA | HA | 109.3° | 109.5° |
HN1 | N | HN2 | 109.5° | 111.0° |
CB | CA | C2 | 110.5° | 109.5° |
CB | CA | HA | 108.5° | 109.4° |
CA | CB | CG | 120.8° | 109.5° |
CA | CB | HBC1 | 106.6° | 109.5° |
CA | CB | HBC2 | 106.5° | 109.5° |
C2 | CA | HA | 108.1° | 109.4° |
CA | C2 | C1 | 109.3° | 109.5° |
CA | C2 | O | 110.2° | 109.4° |
CA | C2 | H2 | 109.6° | 109.5° |
CG | CB | HBC1 | 106.6° | 109.4° |
CG | CB | HBC2 | 106.6° | 109.5° |
CB | CG | CD1 | 123.4° | 120.0° |
CB | CG | CD2 | 116.5° | 120.0° |
HBC1 | CB | HBC2 | 109.5° | 109.4° |
CD1 | CG | CD2 | 120.2° | 120.0° |
CG | CD1 | CE1 | 121.4° | 120.0° |
CG | CD1 | HD1 | 119.3° | 120.0° |
CG | CD2 | CE2 | 118.3° | 120.0° |
CG | CD2 | HD2 | 120.9° | 120.0° |
CE1 | CD1 | HD1 | 119.3° | 120.0° |
CD1 | CE1 | CZ | 118.0° | 120.0° |
CD1 | CE1 | HE1 | 121.0° | 120.0° |
CE2 | CD2 | HD2 | 120.8° | 120.0° |
CD2 | CE2 | CZ | 120.5° | 120.0° |
CD2 | CE2 | HE2 | 119.8° | 120.0° |
CZ | CE1 | HE1 | 121.0° | 120.0° |
CE1 | CZ | CE2 | 121.6° | 120.0° |
CE1 | CZ | HZ | 119.2° | 120.0° |
CZ | CE2 | HE2 | 119.8° | 120.0° |
CE2 | CZ | HZ | 119.2° | 120.0° |
C2 | C1 | CA1 | 109.2° | 109.4° |
C2 | C1 | H1C1 | 109.5° | 109.5° |
C2 | C1 | H1C2 | 109.5° | 109.4° |
C1 | C2 | O | 106.8° | 109.5° |
C1 | C2 | H2 | 109.2° | 109.5° |
CA1 | C1 | H1C1 | 109.5° | 109.5° |
CA1 | C1 | H1C2 | 109.6° | 109.5° |
C1 | CA1 | C | 112.7° | 109.5° |
C1 | CA1 | HA11 | 108.7° | 109.5° |
C1 | CA1 | HA12 | 108.7° | 109.5° |
H1C1 | C1 | H1C2 | 109.5° | 109.5° |
O | C2 | H2 | 111.7° | 109.4° |
C2 | O | H | 109.5° | 114.0° |
C | CA1 | HA11 | 108.6° | 109.4° |
C | CA1 | HA12 | 108.6° | 109.4° |
CA1 | C | O1 | 119.6° | 120.0° |
CA1 | C | OXT | 119.3° | 120.0° |
HA11 | CA1 | HA12 | 109.5° | 109.5° |
O1 | C | OXT | 121.2° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | HN1 | HN2 | 120.0° | 123.9° |
N | CA | CB | C2 | 120.5° | 120.0° |
N | CA | CB | HA | 121.1° | 120.0° |
N | CA | C2 | HA | 118.1° | 120.0° |
N | CA | CB | CG | 51.8° | 65.0° |
N | CA | CB | HBC1 | 69.8° | 55.0° |
N | CA | CB | HBC2 | 173.4° | 175.0° |
N | CA | C2 | C1 | 54.4° | 60.0° |
N | CA | C2 | O | 62.7° | 60.1° |
N | CA | C2 | H2 | 174.0° | 180.0° |
HN1 | N | CA | CB | 180.0° | 60.0° |
HN1 | N | CA | C2 | 58.0° | 60.1° |
HN1 | N | CA | HA | 59.4° | 180.0° |
HN2 | N | CA | CB | 60.0° | 63.9° |
HN2 | N | CA | C2 | 62.0° | 176.0° |
HN2 | N | CA | HA | 179.4° | 56.1° |
CB | CA | C2 | HA | 118.6° | 120.0° |
CA | CB | CG | HBC1 | 121.6° | 120.0° |
CA | CB | CG | HBC2 | 121.6° | 120.1° |
CA | CB | HBC1 | HBC2 | 114.9° | 120.0° |
CA | CB | CG | CD1 | 70.8° | 89.9° |
CA | CB | CG | CD2 | 109.7° | 90.3° |
CB | CA | C2 | C1 | 177.7° | 180.0° |
CB | CA | C2 | O | 60.6° | 60.0° |
CB | CA | C2 | H2 | 62.6° | 59.9° |
C2 | CA | CB | CG | 172.3° | 175.0° |
C2 | CA | CB | HBC1 | 50.7° | 65.0° |
C2 | CA | CB | HBC2 | 66.1° | 54.9° |
CA | C2 | C1 | O | 119.2° | 120.0° |
CA | C2 | C1 | H2 | 119.9° | 120.0° |
CA | C2 | C1 | CA1 | 147.9° | 175.0° |
CA | C2 | C1 | H1C1 | 92.2° | 65.0° |
CA | C2 | C1 | H1C2 | 27.9° | 55.0° |
CA | C2 | O | H2 | 122.1° | 120.0° |
CA | C2 | O | H | 180.0° | 60.1° |
HA | CA | CB | CG | 69.4° | 55.0° |
HA | CA | CB | HBC1 | 169.1° | 175.0° |
HA | CA | CB | HBC2 | 52.2° | 65.0° |
HA | CA | C2 | C1 | 63.7° | 60.0° |
HA | CA | C2 | O | 179.2° | 180.0° |
HA | CA | C2 | H2 | 55.9° | 60.0° |
CG | CB | HBC1 | HBC2 | 114.9° | 120.0° |
CB | CG | CD1 | CD2 | 179.5° | 179.8° |
CB | CG | CD1 | CE1 | 179.4° | 180.0° |
CB | CG | CD1 | HD1 | 0.6° | 0.0° |
CB | CG | CD2 | CE2 | 179.4° | 180.0° |
CB | CG | CD2 | HD2 | 0.6° | 0.0° |
HBC1 | CB | CG | CD1 | 167.6° | 30.1° |
HBC1 | CB | CG | CD2 | 11.9° | 149.7° |
HBC2 | CB | CG | CD1 | 50.7° | 150.0° |
HBC2 | CB | CG | CD2 | 128.7° | 29.8° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CD1 | CG | CD2 | CE2 | 0.1° | 0.3° |
CD1 | CG | CD2 | HD2 | 179.9° | 179.7° |
CG | CD1 | CE1 | CZ | 0.6° | 0.0° |
CG | CD1 | CE1 | HE1 | 179.4° | 180.0° |
CD2 | CG | CD1 | CE1 | 0.1° | 0.3° |
CD2 | CG | CD1 | HD1 | 179.9° | 179.7° |
CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
CG | CD2 | CE2 | CZ | 0.6° | 0.0° |
CG | CD2 | CE2 | HE2 | 179.4° | 180.0° |
CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
CD1 | CE1 | CZ | CE2 | 1.1° | 0.2° |
CD1 | CE1 | CZ | HZ | 178.9° | 180.0° |
HD1 | CD1 | CE1 | CZ | 179.4° | 180.0° |
HD1 | CD1 | CE1 | HE1 | 0.6° | 0.0° |
CD2 | CE2 | CZ | CE1 | 1.2° | 0.2° |
CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
CD2 | CE2 | CZ | HZ | 178.8° | 180.0° |
HD2 | CD2 | CE2 | CZ | 179.4° | 180.0° |
HD2 | CD2 | CE2 | HE2 | 0.6° | 0.0° |
CE1 | CZ | CE2 | HZ | 180.0° | 179.8° |
CE1 | CZ | CE2 | HE2 | 178.8° | 179.7° |
HE1 | CE1 | CZ | CE2 | 178.9° | 179.8° |
HE1 | CE1 | CZ | HZ | 1.1° | 0.0° |
HE2 | CE2 | CZ | HZ | 1.2° | 0.0° |
C2 | C1 | CA1 | H1C1 | 119.9° | 120.0° |
C2 | C1 | CA1 | H1C2 | 120.0° | 120.0° |
C2 | C1 | H1C1 | H1C2 | 120.1° | 120.0° |
C1 | C2 | O | H2 | 119.3° | 120.0° |
C1 | C2 | O | H | 61.4° | 59.9° |
C2 | C1 | CA1 | C | 70.0° | 180.0° |
C2 | C1 | CA1 | HA11 | 50.5° | 60.0° |
C2 | C1 | CA1 | HA12 | 169.6° | 60.0° |
CA1 | C1 | H1C1 | H1C2 | 120.1° | 120.1° |
CA1 | C1 | C2 | O | 92.9° | 65.0° |
CA1 | C1 | C2 | H2 | 28.0° | 55.0° |
C1 | CA1 | C | HA11 | 120.5° | 120.0° |
C1 | CA1 | C | HA12 | 120.5° | 120.0° |
C1 | CA1 | HA11 | HA12 | 118.5° | 120.1° |
C1 | CA1 | C | O1 | 59.1° | 0.0° |
C1 | CA1 | C | OXT | 120.5° | 180.0° |
H1C1 | C1 | C2 | O | 27.0° | 55.0° |
H1C1 | C1 | C2 | H2 | 147.9° | 175.0° |
H1C1 | C1 | CA1 | C | 170.1° | 60.0° |
H1C1 | C1 | CA1 | HA11 | 69.5° | 180.0° |
H1C1 | C1 | CA1 | HA12 | 49.6° | 59.9° |
H1C2 | C1 | C2 | O | 147.1° | 175.0° |
H1C2 | C1 | C2 | H2 | 92.0° | 65.0° |
H1C2 | C1 | CA1 | C | 50.0° | 60.0° |
H1C2 | C1 | CA1 | HA11 | 170.5° | 59.9° |
H1C2 | C1 | CA1 | HA12 | 70.5° | 180.0° |
H2 | C2 | O | H | 57.9° | 179.9° |
C | CA1 | HA11 | HA12 | 118.5° | 120.0° |
CA1 | C | O1 | OXT | 179.6° | 180.0° |
CA1 | C | OXT | HXT | 179.6° | 180.0° |
HA11 | CA1 | C | O1 | 179.5° | 120.0° |
HA11 | CA1 | C | OXT | 0.0° | 60.0° |
HA12 | CA1 | C | O1 | 61.4° | 120.0° |
HA12 | CA1 | C | OXT | 119.0° | 60.0° |
O1 | C | OXT | HXT | 0.0° | 0.1° |