YOP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OD2 | CD2 | doub | 1.22Å | 1.23Å | |
CD2 | NE2 | sing | 1.35Å | 1.35Å | |
CD2 | CG | sing | 1.41Å | 1.48Å | |
CB | CG | sing | 1.51Å | 1.51Å | |
CB | CA | sing | 1.53Å | 1.53Å | |
NE2 | CF | sing | 1.36Å | 1.34Å | |
CG | CD1 | doub | 1.36Å | 1.38Å | |
O | C | sing | 1.43Å | 1.43Å | |
C | CA | sing | 1.53Å | 1.54Å | |
CA | N | sing | 1.47Å | 1.46Å | |
CF | CE1 | doub | 1.35Å | 1.39Å | |
CD1 | CE1 | sing | 1.40Å | 1.40Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
C | HC2 | sing | 1.09Å | 1.10Å | |
C | HC1 | sing | 1.09Å | 1.10Å | |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CF | HF | sing | 1.08Å | 1.08Å | |
N | H | sing | 1.01Å | 1.00Å | |
O | H42 | sing | 0.97Å | 0.95Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
NE2 | HE2 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OD2 | CD2 | NE2 | 121.3° | 120.0° |
OD2 | CD2 | CG | 118.2° | 120.0° |
NE2 | CD2 | CG | 120.5° | 120.1° |
CD2 | NE2 | CF | 120.9° | 120.7° |
CD2 | NE2 | HE2 | 119.5° | 119.6° |
CD2 | CG | CB | 118.4° | 120.4° |
CD2 | CG | CD1 | 117.2° | 119.3° |
CG | CB | CA | 112.1° | 109.4° |
CB | CG | CD1 | 124.4° | 120.3° |
CG | CB | HB1 | 108.8° | 109.5° |
CG | CB | HB2 | 108.8° | 109.5° |
CB | CA | C | 111.2° | 109.5° |
CB | CA | N | 106.7° | 109.5° |
CB | CA | HA | 109.8° | 109.4° |
CA | CB | HB1 | 108.8° | 109.5° |
CA | CB | HB2 | 108.8° | 109.5° |
NE2 | CF | CE1 | 120.9° | 120.7° |
NE2 | CF | HF | 119.5° | 119.6° |
CF | NE2 | HE2 | 119.6° | 119.7° |
CG | CD1 | CE1 | 119.5° | 119.2° |
CG | CD1 | HD1 | 120.2° | 120.3° |
O | C | CA | 114.9° | 109.5° |
O | C | HC2 | 108.1° | 109.5° |
O | C | HC1 | 108.1° | 109.5° |
C | O | H42 | 109.5° | 114.0° |
C | CA | N | 108.6° | 109.5° |
C | CA | HA | 109.7° | 109.5° |
CA | C | HC2 | 108.1° | 109.5° |
CA | C | HC1 | 108.1° | 109.5° |
N | CA | HA | 110.8° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
CF | CE1 | CD1 | 121.0° | 120.0° |
CF | CE1 | HE1 | 119.5° | 120.0° |
CE1 | CF | HF | 119.6° | 119.6° |
CE1 | CD1 | HD1 | 120.3° | 120.4° |
CD1 | CE1 | HE1 | 119.5° | 120.0° |
HB1 | CB | HB2 | 109.5° | 109.5° |
HC2 | C | HC1 | 109.5° | 109.4° |
H | N | H2 | 109.4° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OD2 | CD2 | NE2 | CG | 179.0° | 179.4° |
OD2 | CD2 | CG | CB | 1.7° | 0.3° |
OD2 | CD2 | NE2 | CF | 178.9° | 180.0° |
OD2 | CD2 | CG | CD1 | 178.9° | 180.0° |
OD2 | CD2 | NE2 | HE2 | 1.1° | 0.5° |
NE2 | CD2 | CG | CB | 179.3° | 179.8° |
CD2 | NE2 | CF | HE2 | 180.0° | 179.5° |
NE2 | CD2 | CG | CD1 | 0.2° | 0.6° |
CD2 | NE2 | CF | CE1 | 0.1° | 0.2° |
CD2 | NE2 | CF | HF | 179.9° | 179.7° |
CD2 | CG | CB | CD1 | 179.4° | 179.7° |
CD2 | CG | CB | CA | 175.5° | 85.3° |
CG | CD2 | NE2 | CF | 0.1° | 0.5° |
CD2 | CG | CD1 | CE1 | 0.0° | 0.2° |
CD2 | CG | CB | HB1 | 64.1° | 154.7° |
CD2 | CG | CB | HB2 | 55.2° | 34.7° |
CD2 | CG | CD1 | HD1 | 180.0° | 179.8° |
CG | CD2 | NE2 | HE2 | 179.9° | 180.0° |
CG | CB | CA | HB1 | 120.4° | 120.0° |
CG | CB | CA | HB2 | 120.4° | 120.0° |
CG | CB | CA | C | 153.8° | 175.0° |
CG | CB | CA | N | 87.9° | 65.0° |
CB | CG | CD1 | CE1 | 179.4° | 179.9° |
CG | CB | CA | HA | 32.2° | 55.0° |
CG | CB | HB1 | HB2 | 118.8° | 120.0° |
CB | CG | CD1 | HD1 | 0.6° | 0.1° |
CA | CB | CG | CD1 | 5.1° | 95.0° |
CB | CA | C | O | 65.5° | 175.0° |
CB | CA | C | N | 117.1° | 120.0° |
CB | CA | C | HA | 121.7° | 120.0° |
CB | CA | N | HA | 119.5° | 120.0° |
CA | CB | HB1 | HB2 | 118.8° | 120.0° |
CB | CA | C | HC2 | 173.8° | 55.0° |
CB | CA | C | HC1 | 55.3° | 65.0° |
CB | CA | N | H | 180.0° | 176.0° |
CB | CA | N | H2 | 60.0° | 60.0° |
NE2 | CF | CE1 | HF | 180.0° | 179.9° |
NE2 | CF | CE1 | CD1 | 0.2° | 0.1° |
NE2 | CF | CE1 | HE1 | 179.8° | 179.9° |
CG | CD1 | CE1 | CF | 0.2° | 0.1° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CD1 | CG | CB | HB1 | 115.3° | 25.0° |
CD1 | CG | CB | HB2 | 125.5° | 145.0° |
CG | CD1 | CE1 | HE1 | 179.9° | 179.9° |
O | C | CA | HC2 | 120.8° | 120.0° |
O | C | CA | HC1 | 120.8° | 120.0° |
O | C | CA | N | 177.4° | 65.0° |
O | C | CA | HA | 56.2° | 55.1° |
O | C | HC2 | HC1 | 117.5° | 120.0° |
C | CA | N | HA | 120.6° | 120.1° |
C | CA | CB | HB1 | 33.4° | 65.0° |
C | CA | CB | HB2 | 85.8° | 55.0° |
CA | C | HC2 | HC1 | 117.6° | 120.0° |
C | CA | N | H | 60.0° | 64.0° |
CA | C | O | H42 | 180.0° | 179.9° |
C | CA | N | H2 | 60.0° | 60.0° |
N | CA | CB | HB1 | 151.7° | 55.0° |
N | CA | CB | HB2 | 32.5° | 175.0° |
N | CA | C | HC2 | 56.7° | 175.0° |
N | CA | C | HC1 | 61.8° | 55.0° |
CA | N | H | H2 | 120.0° | 124.0° |
CF | CE1 | CD1 | HE1 | 180.0° | 179.8° |
CF | CE1 | CD1 | HD1 | 179.8° | 179.9° |
CE1 | CF | NE2 | HE2 | 179.9° | 179.7° |
CD1 | CE1 | CF | HF | 179.8° | 180.0° |
HA | CA | CB | HB1 | 88.2° | 175.0° |
HA | CA | CB | HB2 | 152.5° | 65.0° |
HA | CA | C | HC2 | 64.5° | 65.0° |
HA | CA | C | HC1 | 177.0° | 175.0° |
HA | CA | N | H | 60.5° | 56.1° |
HA | CA | N | H2 | 179.5° | 179.9° |
HC2 | C | O | H42 | 59.3° | 59.9° |
HC1 | C | O | H42 | 59.2° | 60.1° |
HD1 | CD1 | CE1 | HE1 | 0.1° | 0.1° |
HE1 | CE1 | CF | HF | 0.2° | 0.1° |
HF | CF | NE2 | HE2 | 0.1° | 0.2° |