EJA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.23Å | |
C | CA | sing | 1.51Å | 1.57Å | |
N | CA | sing | 1.47Å | 1.47Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
SG | CB | sing | 1.81Å | 1.88Å | |
SG | CD | sing | 1.76Å | 1.88Å | |
OT1 | CZ | doub | 1.21Å | 1.29Å | |
OZ | NE | sing | 1.42Å | 1.38Å | |
CZ | OT2 | sing | 1.34Å | 1.28Å | |
CZ | CE | sing | 1.51Å | 1.55Å | |
CD | NE | doub | 1.29Å | 1.31Å | |
CD | CE | sing | 1.51Å | 1.51Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CE | HE2 | sing | 1.09Å | 1.10Å | |
CE | HE1 | sing | 1.09Å | 1.10Å | |
OT2 | H3 | sing | 0.97Å | 0.95Å | |
OZ | HOZ | sing | 0.97Å | 0.95Å | |
C | OXT | sing | 1.34Å | 192.55Å | |
OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 119.7° | 120.0° |
O | C | OXT | 40.2° | 120.0° |
C | CA | N | 106.1° | 109.5° |
C | CA | CB | 113.0° | 109.4° |
C | CA | HA | 108.3° | 109.4° |
CA | C | OXT | 142.0° | 120.0° |
N | CA | CB | 111.1° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 109.6° | 109.5° |
CA | CB | SG | 112.1° | 109.4° |
CB | CA | HA | 108.6° | 109.5° |
CA | CB | HB2 | 108.8° | 109.5° |
CA | CB | HB3 | 108.8° | 109.4° |
CB | SG | CD | 114.1° | 100.0° |
SG | CB | HB2 | 108.8° | 109.5° |
SG | CB | HB3 | 108.8° | 109.5° |
SG | CD | NE | 124.3° | 120.0° |
SG | CD | CE | 117.5° | 120.0° |
OT1 | CZ | OT2 | 119.8° | 120.0° |
OT1 | CZ | CE | 119.2° | 120.0° |
OZ | NE | CD | 118.0° | 120.0° |
NE | OZ | HOZ | 109.5° | 114.1° |
OT2 | CZ | CE | 121.0° | 120.0° |
CZ | OT2 | H3 | 109.5° | 117.0° |
CZ | CE | CD | 113.3° | 109.4° |
CZ | CE | HE2 | 108.5° | 109.5° |
CZ | CE | HE1 | 108.5° | 109.5° |
NE | CD | CE | 118.2° | 120.0° |
CD | CE | HE2 | 108.5° | 109.5° |
CD | CE | HE1 | 108.5° | 109.5° |
H | N | H2 | 109.4° | 111.0° |
HB2 | CB | HB3 | 109.4° | 109.5° |
HE2 | CE | HE1 | 109.4° | 109.5° |
C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 45.7° | 180.0° |
O | C | CA | N | 32.4° | 20.0° |
O | C | CA | CB | 89.5° | 100.0° |
O | C | CA | HA | 150.1° | 140.1° |
O | C | OXT | HXT | 90.0° | 0.0° |
C | CA | N | CB | 123.2° | 120.0° |
C | CA | N | HA | 116.8° | 120.0° |
C | CA | CB | HA | 120.2° | 119.9° |
C | CA | CB | SG | 44.3° | 180.0° |
C | CA | N | H | 180.0° | 63.9° |
C | CA | N | H2 | 60.0° | 60.0° |
C | CA | CB | HB2 | 164.7° | 60.1° |
C | CA | CB | HB3 | 76.2° | 60.0° |
CA | C | OXT | HXT | 90.0° | 180.0° |
N | CA | CB | HA | 120.6° | 120.1° |
N | CA | CB | SG | 163.4° | 60.1° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | CB | HB2 | 76.2° | 59.9° |
N | CA | CB | HB3 | 43.0° | 180.0° |
N | CA | C | OXT | 78.2° | 160.0° |
CA | CB | SG | HB2 | 120.4° | 120.0° |
CA | CB | SG | HB3 | 120.4° | 119.9° |
CA | CB | SG | CD | 74.9° | 175.2° |
CB | CA | N | H | 56.8° | 176.1° |
CB | CA | N | H2 | 176.8° | 59.9° |
CA | CB | HB2 | HB3 | 118.8° | 120.0° |
CB | CA | C | OXT | 43.8° | 80.0° |
CB | SG | CD | NE | 57.7° | 174.8° |
CB | SG | CD | CE | 123.7° | 5.2° |
SG | CB | CA | HA | 76.0° | 60.0° |
SG | CB | HB2 | HB3 | 118.8° | 120.0° |
SG | CD | NE | OZ | 0.7° | 5.1° |
SG | CD | CE | CZ | 72.6° | 180.0° |
SG | CD | NE | CE | 178.6° | 180.0° |
CD | SG | CB | HB2 | 45.5° | 55.2° |
CD | SG | CB | HB3 | 164.7° | 64.9° |
SG | CD | CE | HE2 | 48.0° | 60.0° |
SG | CD | CE | HE1 | 166.8° | 60.0° |
OT1 | CZ | OT2 | CE | 179.0° | 180.0° |
OT1 | CZ | CE | CD | 67.3° | 0.0° |
OT1 | CZ | CE | HE2 | 53.3° | 120.0° |
OT1 | CZ | CE | HE1 | 172.1° | 120.0° |
OT1 | CZ | OT2 | H3 | 0.0° | 0.0° |
OZ | NE | CD | CE | 179.3° | 174.9° |
OT2 | CZ | CE | CD | 111.8° | 180.0° |
OT2 | CZ | CE | HE2 | 127.7° | 60.0° |
OT2 | CZ | CE | HE1 | 8.8° | 60.0° |
CZ | CE | CD | NE | 106.1° | 0.0° |
CZ | CE | CD | HE2 | 120.6° | 120.0° |
CZ | CE | CD | HE1 | 120.6° | 120.0° |
CZ | CE | HE2 | HE1 | 118.2° | 120.0° |
CE | CZ | OT2 | H3 | 179.0° | 180.0° |
NE | CD | CE | HE2 | 133.3° | 120.0° |
NE | CD | CE | HE1 | 14.5° | 120.0° |
CD | NE | OZ | HOZ | 180.0° | 180.0° |
CD | CE | HE2 | HE1 | 118.2° | 120.0° |
H | N | CA | HA | 63.2° | 56.0° |
H2 | N | CA | HA | 56.7° | 180.0° |
HA | CA | CB | HB2 | 44.5° | 180.0° |
HA | CA | CB | HB3 | 163.6° | 59.9° |
HA | CA | C | OXT | 164.2° | 40.0° |