T79
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.21Å | |
C | CA | sing | 1.51Å | 1.52Å | |
CE1 | CD1 | sing | 1.47Å | 1.46Å | |
CD1 | CG | trip | 1.17Å | 1.21Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
CA | N | sing | 1.47Å | 1.46Å | |
CG | CB | sing | 1.47Å | 1.46Å | |
C | OXT | sing | 1.34Å | 1.37Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CE1 | HE1 | sing | 1.09Å | 1.10Å | |
CE1 | HE2 | sing | 1.09Å | 1.10Å | |
CE1 | HE3 | sing | 1.09Å | 1.10Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 114.9° | 120.0° |
O | C | OXT | 121.7° | 120.0° |
C | CA | CB | 111.1° | 109.5° |
C | CA | N | 109.7° | 109.5° |
CA | C | OXT | 123.2° | 119.9° |
C | CA | HA | 107.1° | 109.5° |
CE1 | CD1 | CG | 176.9° | 180.0° |
CD1 | CE1 | HE1 | 109.5° | 109.5° |
CD1 | CE1 | HE2 | 109.5° | 109.4° |
CD1 | CE1 | HE3 | 109.5° | 109.5° |
CD1 | CG | CB | 177.9° | 180.0° |
CB | CA | N | 114.2° | 109.4° |
CA | CB | CG | 108.9° | 109.5° |
CB | CA | HA | 106.7° | 109.5° |
CA | CB | HB3 | 109.6° | 109.5° |
CA | CB | HB2 | 109.6° | 109.4° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 107.8° | 109.4° |
CG | CB | HB3 | 109.6° | 109.5° |
CG | CB | HB2 | 109.6° | 109.4° |
C | OXT | HXT | 109.5° | 117.0° |
H | N | H2 | 109.4° | 111.0° |
HB3 | CB | HB2 | 109.5° | 109.5° |
HE1 | CE1 | HE2 | 109.5° | 109.5° |
HE1 | CE1 | HE3 | 109.4° | 109.5° |
HE2 | CE1 | HE3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 175.8° | 179.9° |
O | C | CA | CB | 95.1° | 100.0° |
O | C | CA | N | 137.7° | 20.0° |
O | C | CA | HA | 21.0° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
C | CA | CB | N | 124.6° | 120.0° |
C | CA | CB | HA | 116.4° | 120.1° |
C | CA | N | HA | 116.3° | 120.1° |
C | CA | CB | CG | 78.0° | 175.0° |
C | CA | N | H | 180.0° | 63.9° |
C | CA | N | H2 | 60.0° | 59.9° |
C | CA | CB | HB3 | 162.1° | 64.9° |
C | CA | CB | HB2 | 41.9° | 55.1° |
CA | C | OXT | HXT | 175.5° | 180.0° |
CE1 | CD1 | CG | CB | 27.4° | 100.4° |
CD1 | CE1 | HE1 | HE2 | 120.0° | 120.0° |
CD1 | CE1 | HE1 | HE3 | 120.0° | 120.0° |
CD1 | CE1 | HE2 | HE3 | 120.0° | 120.0° |
CD1 | CG | CB | CA | 66.8° | 50.8° |
CD1 | CG | CB | HB3 | 53.1° | 69.3° |
CD1 | CG | CB | HB2 | 173.3° | 170.7° |
CG | CD1 | CE1 | HE1 | 180.0° | 28.9° |
CG | CD1 | CE1 | HE2 | 60.0° | 148.9° |
CG | CD1 | CE1 | HE3 | 60.0° | 91.1° |
CB | CA | N | HA | 118.3° | 120.0° |
CA | CB | CG | HB3 | 119.9° | 120.1° |
CA | CB | CG | HB2 | 119.9° | 119.9° |
CB | CA | C | OXT | 89.0° | 80.1° |
CB | CA | N | H | 54.6° | 176.1° |
CB | CA | N | H2 | 174.6° | 60.0° |
CA | CB | HB3 | HB2 | 120.3° | 119.9° |
N | CA | CB | CG | 157.4° | 65.0° |
N | CA | C | OXT | 38.1° | 160.0° |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | CB | HB3 | 37.5° | 55.1° |
N | CA | CB | HB2 | 82.7° | 175.0° |
CG | CB | CA | HA | 38.4° | 54.9° |
CG | CB | HB3 | HB2 | 120.3° | 120.0° |
OXT | C | CA | HA | 154.9° | 40.0° |
H | N | CA | HA | 63.7° | 56.1° |
H2 | N | CA | HA | 56.3° | 180.0° |
HA | CA | CB | HB3 | 81.5° | 175.0° |
HA | CA | CB | HB2 | 158.3° | 65.0° |
HE1 | CE1 | HE2 | HE3 | 120.0° | 120.0° |