MEU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CB | OXT | sing | 1.45Å | 1.43Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
OXT | C | sing | 1.34Å | 1.36Å | |
N | CA | sing | 1.47Å | 1.45Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | C | sing | 1.51Å | 1.52Å | |
CA | HA2 | sing | 1.09Å | 1.10Å | |
CA | HA3 | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.23Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OXT | CB | HB1 | 109.5° | 109.5° |
OXT | CB | HB2 | 109.5° | 109.5° |
OXT | CB | HB3 | 109.5° | 109.5° |
CB | OXT | C | 125.1° | 117.0° |
HB1 | CB | HB2 | 109.5° | 109.5° |
HB1 | CB | HB3 | 109.4° | 109.4° |
HB2 | CB | HB3 | 109.5° | 109.5° |
OXT | C | CA | 116.4° | 120.0° |
OXT | C | O | 122.7° | 120.0° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.1° |
N | CA | C | 111.7° | 109.5° |
N | CA | HA2 | 108.7° | 109.5° |
N | CA | HA3 | 108.8° | 109.4° |
H | N | H2 | 109.4° | 111.0° |
C | CA | HA2 | 108.7° | 109.5° |
C | CA | HA3 | 108.7° | 109.4° |
CA | C | O | 120.9° | 120.0° |
HA2 | CA | HA3 | 110.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OXT | CB | HB1 | HB2 | 120.0° | 120.0° |
OXT | CB | HB1 | HB3 | 120.0° | 120.0° |
OXT | CB | HB2 | HB3 | 120.0° | 120.0° |
CB | OXT | C | CA | 167.9° | 180.0° |
CB | OXT | C | O | 10.0° | 0.0° |
HB1 | CB | HB2 | HB3 | 120.0° | 120.0° |
HB1 | CB | OXT | C | 180.0° | 180.0° |
HB2 | CB | OXT | C | 60.0° | 60.0° |
HB3 | CB | OXT | C | 60.0° | 60.0° |
OXT | C | CA | N | 61.6° | 180.0° |
OXT | C | CA | O | 177.9° | 180.0° |
OXT | C | CA | HA2 | 58.4° | 60.0° |
OXT | C | CA | HA3 | 178.4° | 60.0° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | C | HA2 | 120.0° | 120.0° |
N | CA | C | HA3 | 120.0° | 120.0° |
N | CA | HA2 | HA3 | 119.1° | 119.9° |
N | CA | C | O | 116.3° | 0.0° |
H | N | CA | C | 180.0° | 56.0° |
H | N | CA | HA2 | 60.0° | 176.1° |
H | N | CA | HA3 | 60.0° | 64.0° |
H2 | N | CA | C | 60.0° | 180.0° |
H2 | N | CA | HA2 | 60.0° | 60.0° |
H2 | N | CA | HA3 | 180.0° | 60.0° |
C | CA | HA2 | HA3 | 119.1° | 120.0° |
HA2 | CA | C | O | 123.7° | 120.0° |
HA3 | CA | C | O | 3.7° | 120.0° |