1PA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.46Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | CG | sing | 1.51Å | 1.49Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
CD1 | CE1 | sing | 1.38Å | 1.41Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CE1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CD2 | CE2 | doub | 1.38Å | 1.41Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
CZ | CH | sing | 1.51Å | 1.52Å | |
CH | CO | sing | 1.51Å | 1.52Å | |
CH | HH2 | sing | 1.09Å | 1.10Å | |
CH | HH3 | sing | 1.09Å | 1.10Å | |
CO | O1 | sing | 1.34Å | 1.25Å | |
CO | O2 | doub | 1.21Å | 1.24Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C | O | doub | 1.21Å | 1.24Å | |
C | OXT | sing | 1.34Å | 1.32Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.4° | 111.0° |
N | CA | CB | 108.9° | 109.4° |
N | CA | C | 115.8° | 109.5° |
N | CA | HA | 105.4° | 109.4° |
H | N | H2 | 109.5° | 111.0° |
CB | CA | C | 109.3° | 109.5° |
CB | CA | HA | 112.4° | 109.5° |
CA | CB | CG | 111.6° | 109.5° |
CA | CB | HB2 | 108.8° | 109.5° |
CA | CB | HB3 | 108.8° | 109.4° |
C | CA | HA | 104.9° | 109.5° |
CA | C | O | 121.7° | 120.0° |
CA | C | OXT | 114.9° | 120.0° |
CG | CB | HB2 | 108.8° | 109.5° |
CG | CB | HB3 | 108.8° | 109.5° |
CB | CG | CD1 | 120.4° | 120.0° |
CB | CG | CD2 | 121.1° | 120.0° |
HB2 | CB | HB3 | 110.2° | 109.4° |
CD1 | CG | CD2 | 118.5° | 120.0° |
CG | CD1 | CE1 | 120.7° | 120.0° |
CG | CD1 | HD1 | 119.6° | 120.0° |
CG | CD2 | CE2 | 120.4° | 120.0° |
CG | CD2 | HD2 | 119.8° | 120.0° |
CE1 | CD1 | HD1 | 119.7° | 120.0° |
CD1 | CE1 | CZ | 121.0° | 120.0° |
CD1 | CE1 | HE1 | 119.5° | 120.0° |
CZ | CE1 | HE1 | 119.5° | 120.1° |
CE1 | CZ | CE2 | 117.9° | 120.0° |
CE1 | CZ | CH | 121.2° | 120.0° |
CE2 | CD2 | HD2 | 119.8° | 120.0° |
CD2 | CE2 | CZ | 121.4° | 120.0° |
CD2 | CE2 | HE2 | 119.3° | 120.0° |
CZ | CE2 | HE2 | 119.3° | 120.0° |
CE2 | CZ | CH | 120.9° | 120.0° |
CZ | CH | CO | 114.0° | 109.5° |
CZ | CH | HH2 | 108.0° | 109.5° |
CZ | CH | HH3 | 108.0° | 109.5° |
CO | CH | HH2 | 108.0° | 109.4° |
CO | CH | HH3 | 108.0° | 109.4° |
CH | CO | O1 | 119.7° | 120.0° |
CH | CO | O2 | 118.6° | 120.0° |
HH2 | CH | HH3 | 110.9° | 109.5° |
O1 | CO | O2 | 121.7° | 120.0° |
CO | O1 | HO1 | 109.5° | 117.0° |
O | C | OXT | 123.4° | 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 | H | H2 | 120.0° | 123.9° |
N | CA | CB | C | 127.4° | 120.0° |
N | CA | CB | HA | 116.5° | 119.9° |
N | CA | C | HA | 115.8° | 120.0° |
N | CA | CB | CG | 69.4° | 65.0° |
N | CA | CB | HB2 | 50.6° | 55.1° |
N | CA | CB | HB3 | 170.6° | 175.0° |
N | CA | C | O | 59.0° | 20.0° |
N | CA | C | OXT | 121.6° | 160.0° |
H | N | CA | CB | 180.0° | 176.1° |
H | N | CA | C | 56.3° | 63.9° |
H | N | CA | HA | 59.2° | 56.1° |
H2 | N | CA | CB | 60.0° | 60.0° |
H2 | N | CA | C | 63.7° | 60.0° |
H2 | N | CA | HA | 179.2° | 180.0° |
CB | CA | C | HA | 120.8° | 120.0° |
CA | CB | CG | HB2 | 120.0° | 120.0° |
CA | CB | CG | HB3 | 120.0° | 120.0° |
CA | CB | HB2 | HB3 | 119.1° | 119.9° |
CA | CB | CG | CD1 | 71.4° | 90.0° |
CA | CB | CG | CD2 | 106.0° | 90.3° |
CB | CA | C | O | 64.4° | 100.0° |
CB | CA | C | OXT | 115.0° | 80.0° |
C | CA | CB | CG | 163.1° | 175.0° |
C | CA | CB | HB2 | 76.9° | 65.0° |
C | CA | CB | HB3 | 43.1° | 55.0° |
CA | C | O | OXT | 179.4° | 179.9° |
CA | C | OXT | HXT | 179.4° | 180.0° |
HA | CA | CB | CG | 47.0° | 55.0° |
HA | CA | CB | HB2 | 167.0° | 175.0° |
HA | CA | CB | HB3 | 73.0° | 65.1° |
HA | CA | C | O | 174.8° | 139.9° |
HA | CA | C | OXT | 5.8° | 40.0° |
CG | CB | HB2 | HB3 | 119.1° | 120.0° |
CB | CG | CD1 | CD2 | 177.4° | 179.7° |
CB | CG | CD1 | CE1 | 177.3° | 180.0° |
CB | CG | CD1 | HD1 | 2.7° | 0.0° |
CB | CG | CD2 | CE2 | 177.2° | 180.0° |
CB | CG | CD2 | HD2 | 2.8° | 0.0° |
HB2 | CB | CG | CD1 | 168.6° | 30.0° |
HB2 | CB | CG | CD2 | 14.0° | 149.7° |
HB3 | CB | CG | CD1 | 48.6° | 150.0° |
HB3 | CB | CG | CD2 | 134.0° | 29.7° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
CG | CD1 | CE1 | HE1 | 179.8° | 180.0° |
CD1 | CG | CD2 | CE2 | 0.3° | 0.3° |
CD1 | CG | CD2 | HD2 | 179.7° | 179.7° |
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 | 0.1° | 0.0° |
CG | CD2 | CE2 | HE2 | 179.9° | 180.0° |
CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
CD1 | CE1 | CZ | CE2 | 0.4° | 0.3° |
CD1 | CE1 | CZ | CH | 177.3° | 180.0° |
HD1 | CD1 | CE1 | CZ | 179.8° | 180.0° |
HD1 | CD1 | CE1 | HE1 | 0.2° | 0.1° |
CE1 | CZ | CE2 | CD2 | 0.2° | 0.3° |
CE1 | CZ | CE2 | CH | 177.7° | 179.7° |
CE1 | CZ | CE2 | HE2 | 179.8° | 179.7° |
CE1 | CZ | CH | CO | 16.2° | 90.0° |
CE1 | CZ | CH | HH2 | 136.2° | 150.0° |
CE1 | CZ | CH | HH3 | 103.8° | 30.0° |
HE1 | CE1 | CZ | CE2 | 179.6° | 179.8° |
HE1 | CE1 | CZ | CH | 2.7° | 0.0° |
CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
CD2 | CE2 | CZ | CH | 177.5° | 180.0° |
HD2 | CD2 | CE2 | CZ | 179.9° | 180.0° |
HD2 | CD2 | CE2 | HE2 | 0.1° | 0.0° |
CE2 | CZ | CH | CO | 161.4° | 89.8° |
CE2 | CZ | CH | HH2 | 41.4° | 30.2° |
CE2 | CZ | CH | HH3 | 78.6° | 150.3° |
HE2 | CE2 | CZ | CH | 2.5° | 0.1° |
CZ | CH | CO | HH2 | 120.0° | 120.0° |
CZ | CH | CO | HH3 | 120.0° | 120.0° |
CZ | CH | HH2 | HH3 | 118.1° | 120.0° |
CZ | CH | CO | O1 | 58.1° | 179.9° |
CZ | CH | CO | O2 | 120.7° | 0.0° |
CO | CH | HH2 | HH3 | 118.1° | 120.0° |
CH | CO | O1 | O2 | 178.8° | 179.9° |
CH | CO | O1 | HO1 | 178.8° | 180.0° |
HH2 | CH | CO | O1 | 61.9° | 60.0° |
HH2 | CH | CO | O2 | 119.2° | 120.0° |
HH3 | CH | CO | O1 | 178.1° | 60.0° |
HH3 | CH | CO | O2 | 0.7° | 120.0° |
O2 | CO | O1 | HO1 | 0.0° | 0.1° |
O | C | OXT | HXT | 0.0° | 0.1° |