9OW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CB | SE | sing | 1.96Å | 1.89Å | |
CB | CA | sing | 1.53Å | 1.54Å | |
CA | N | sing | 1.47Å | 1.49Å | |
CA | C | sing | 1.51Å | 1.56Å | |
NB | C | sing | 1.35Å | 1.34Å | |
C | O | doub | 1.21Å | 1.23Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
N | H | 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 | |
NB | HNB2 | sing | 0.97Å | 1.00Å | |
NB | HNB1 | sing | 0.97Å | 1.00Å | |
SE | HE | sing | 1.56Å | 1.46Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
SE | CB | CA | 113.2° | 109.5° |
SE | CB | HB2 | 108.5° | 109.5° |
SE | CB | HB3 | 108.5° | 109.5° |
CB | SE | HE | 109.5° | 101.0° |
CB | CA | N | 113.2° | 109.5° |
CB | CA | C | 113.8° | 109.5° |
CB | CA | HA | 107.0° | 109.4° |
CA | CB | HB2 | 108.5° | 109.4° |
CA | CB | HB3 | 108.5° | 109.4° |
N | CA | C | 107.8° | 109.5° |
CA | N | H2 | 109.5° | 110.9° |
CA | N | H | 109.5° | 111.0° |
N | CA | HA | 107.7° | 109.4° |
CA | C | NB | 124.7° | 120.0° |
CA | C | O | 119.1° | 120.0° |
C | CA | HA | 106.9° | 109.5° |
NB | C | O | 116.2° | 120.0° |
C | NB | HNB2 | 120.0° | 120.0° |
C | NB | HNB1 | 120.0° | 120.0° |
H2 | N | H | 109.4° | 111.0° |
HB2 | CB | HB3 | 109.5° | 109.5° |
HNB2 | NB | HNB1 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
SE | CB | CA | HB2 | 120.5° | 120.0° |
SE | CB | CA | HB3 | 120.6° | 120.0° |
SE | CB | CA | N | 84.6° | 64.9° |
SE | CB | CA | C | 39.0° | 175.0° |
SE | CB | CA | HA | 156.9° | 55.0° |
SE | CB | HB2 | HB3 | 118.3° | 120.0° |
CB | CA | N | C | 126.8° | 120.1° |
CB | CA | N | HA | 118.1° | 119.9° |
CB | CA | C | HA | 118.0° | 120.0° |
CB | CA | C | NB | 25.7° | 80.0° |
CB | CA | C | O | 155.6° | 100.0° |
CB | CA | N | H2 | 180.0° | 60.0° |
CB | CA | N | H | 60.0° | 63.8° |
CA | CB | HB2 | HB3 | 118.3° | 119.9° |
CA | CB | SE | HE | 180.0° | 180.0° |
N | CA | C | HA | 115.6° | 120.0° |
N | CA | C | NB | 152.2° | 160.0° |
N | CA | C | O | 29.1° | 20.0° |
CA | N | H2 | H | 120.0° | 123.9° |
N | CA | CB | HB2 | 36.0° | 55.1° |
N | CA | CB | HB3 | 154.9° | 175.0° |
CA | C | NB | O | 178.7° | 180.0° |
C | CA | N | H2 | 53.2° | 60.0° |
C | CA | N | H | 66.8° | 176.1° |
C | CA | CB | HB2 | 159.5° | 65.0° |
C | CA | CB | HB3 | 81.6° | 55.0° |
CA | C | NB | HNB2 | 178.7° | 0.0° |
CA | C | NB | HNB1 | 1.3° | 180.0° |
NB | C | CA | HA | 92.3° | 40.0° |
C | NB | HNB2 | HNB1 | 180.0° | 180.0° |
O | C | CA | HA | 86.5° | 140.0° |
O | C | NB | HNB2 | 0.0° | 180.0° |
O | C | NB | HNB1 | 180.0° | 0.0° |
H2 | N | CA | HA | 61.9° | 180.0° |
H | N | CA | HA | 178.2° | 56.1° |
HA | CA | CB | HB2 | 82.5° | 175.0° |
HA | CA | CB | HB3 | 36.4° | 65.0° |
HB2 | CB | SE | HE | 59.4° | 60.0° |
HB3 | CB | SE | HE | 59.4° | 60.0° |