VEF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O | doub | 1.21Å | 1.23Å | |
C | C2 | sing | 1.51Å | 1.44Å | |
O2 | C2 | sing | 1.43Å | 1.26Å | |
C2 | CA | sing | 1.53Å | 1.52Å | |
CA | N | sing | 1.47Å | 1.45Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
C | OXT | sing | 1.34Å | 1.34Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
C2 | O1 | sing | 1.43Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | C2 | 124.8° | 120.0° |
O | C | OXT | 123.8° | 120.0° |
C | C2 | O2 | 115.8° | 109.4° |
C | C2 | CA | 121.3° | 109.5° |
C2 | C | OXT | 111.2° | 120.0° |
C | C2 | O1 | 98.8° | 109.4° |
O2 | C2 | CA | 115.6° | 109.5° |
O2 | C2 | O1 | 100.1° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | CA | N | 109.6° | 109.5° |
C2 | CA | CB | 114.7° | 109.5° |
C2 | CA | HA | 106.4° | 109.5° |
CA | C2 | O1 | 98.4° | 109.4° |
N | CA | CB | 112.1° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 107.2° | 109.5° |
CB | CA | HA | 106.3° | 109.4° |
CA | CB | HB1 | 109.5° | 109.4° |
CA | CB | HB2 | 109.5° | 109.5° |
CA | CB | HB3 | 109.5° | 109.4° |
C | OXT | HXT | 109.5° | 116.9° |
H | N | H2 | 109.4° | 111.0° |
HB1 | CB | HB2 | 109.5° | 109.5° |
HB1 | CB | HB3 | 109.5° | 109.5° |
HB2 | CB | HB3 | 109.5° | 109.5° |
C2 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | C2 | OXT | 174.7° | 180.0° |
O | C | C2 | O2 | 155.3° | 115.0° |
O | C | C2 | CA | 55.9° | 125.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
O | C | C2 | O1 | 49.5° | 5.0° |
C | C2 | O2 | CA | 150.5° | 120.0° |
C | C2 | O2 | O1 | 105.0° | 120.0° |
C | C2 | CA | O1 | 105.7° | 120.0° |
C | C2 | CA | N | 170.7° | 175.0° |
C | C2 | CA | CB | 62.1° | 65.0° |
C | C2 | CA | HA | 55.1° | 55.0° |
C2 | C | OXT | HXT | 174.8° | 180.0° |
C | C2 | O2 | HO2 | 180.0° | 60.0° |
C | C2 | O1 | HO1 | 19.1° | 60.0° |
O2 | C2 | CA | O1 | 105.5° | 120.0° |
O2 | C2 | CA | N | 21.9° | 55.0° |
O2 | C2 | CA | CB | 149.1° | 175.1° |
O2 | C2 | C | OXT | 29.9° | 65.0° |
O2 | C2 | CA | HA | 93.6° | 65.0° |
O2 | C2 | O1 | HO1 | 137.4° | 179.9° |
C2 | CA | N | CB | 128.6° | 120.0° |
C2 | CA | N | HA | 115.1° | 120.0° |
C2 | CA | CB | HA | 117.3° | 119.9° |
CA | C2 | C | OXT | 118.8° | 55.0° |
C2 | CA | N | H | 180.0° | 180.0° |
C2 | CA | N | H2 | 60.0° | 56.0° |
C2 | CA | CB | HB1 | 180.0° | 60.1° |
C2 | CA | CB | HB2 | 60.0° | 60.0° |
C2 | CA | CB | HB3 | 60.0° | 180.0° |
CA | C2 | O2 | HO2 | 29.4° | 60.0° |
CA | C2 | O1 | HO1 | 104.5° | 60.0° |
N | CA | CB | HA | 116.8° | 120.0° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | CB | HB1 | 54.1° | 60.0° |
N | CA | CB | HB2 | 65.9° | 180.0° |
N | CA | CB | HB3 | 174.1° | 59.9° |
N | CA | C2 | O1 | 83.6° | 65.0° |
CB | CA | N | H | 51.4° | 60.0° |
CB | CA | N | H2 | 171.4° | 176.0° |
CA | CB | HB1 | HB2 | 120.0° | 120.0° |
CA | CB | HB1 | HB3 | 120.0° | 119.9° |
CA | CB | HB2 | HB3 | 120.0° | 120.0° |
CB | CA | C2 | O1 | 43.6° | 55.0° |
OXT | C | C2 | O1 | 135.7° | 175.0° |
H | N | CA | HA | 64.9° | 60.0° |
H2 | N | CA | HA | 55.1° | 64.0° |
HA | CA | CB | HB1 | 62.7° | NaN° |
HA | CA | CB | HB2 | 177.3° | 60.0° |
HA | CA | CB | HB3 | 57.3° | 60.1° |
HA | CA | C2 | O1 | 160.9° | 174.9° |
HB1 | CB | HB2 | HB3 | 120.0° | 120.1° |
O1 | C2 | O2 | HO2 | 75.0° | 180.0° |