TYB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.46Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | H2 | sing | 1.01Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.52Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
C | O | doub | 1.21Å | 1.47Å | |
C | HC | sing | 1.08Å | 1.10Å | |
CB | CG | sing | 1.51Å | 1.52Å | |
CB | HB2 | sing | 1.09Å | 1.12Å | |
CB | HB3 | sing | 1.09Å | 1.11Å | |
CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.10Å | |
CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.10Å | |
CE1 | CZ | doub | 1.39Å | 1.37Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.10Å | |
CE2 | CZ | sing | 1.39Å | 1.38Å | Aromatic |
CE2 | HE2 | sing | 1.08Å | 1.10Å | |
CZ | OH | sing | 1.36Å | 1.39Å | |
OH | HH | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 111.0° | 106.7° |
CA | N | H2 | 111.7° | 106.7° |
N | CA | C | 111.0° | 109.5° |
N | CA | CB | 109.7° | 109.5° |
N | CA | HA | 108.5° | 109.5° |
H | N | H2 | 111.6° | 106.7° |
C | CA | CB | 110.2° | 109.5° |
C | CA | HA | 108.1° | 109.5° |
CA | C | O | 109.4° | 120.0° |
CA | C | HC | 126.9° | 120.0° |
CB | CA | HA | 109.3° | 109.4° |
CA | CB | CG | 115.1° | 109.5° |
CA | CB | HB2 | 110.1° | 109.5° |
CA | CB | HB3 | 110.1° | 109.4° |
O | C | HC | 123.6° | 120.0° |
CG | CB | HB2 | 110.1° | 109.5° |
CG | CB | HB3 | 110.1° | 109.5° |
CB | CG | CD1 | 120.9° | 119.9° |
CB | CG | CD2 | 120.0° | 119.9° |
HB2 | CB | HB3 | 100.1° | 109.4° |
CD1 | CG | CD2 | 119.1° | 120.1° |
CG | CD1 | CE1 | 119.6° | 120.1° |
CG | CD1 | HD1 | 120.0° | 120.0° |
CG | CD2 | CE2 | 121.4° | 120.0° |
CG | CD2 | HD2 | 119.5° | 120.0° |
CE1 | CD1 | HD1 | 120.5° | 120.0° |
CD1 | CE1 | CZ | 120.3° | 119.9° |
CD1 | CE1 | HE1 | 120.7° | 120.0° |
CE2 | CD2 | HD2 | 119.1° | 120.0° |
CD2 | CE2 | CZ | 118.6° | 120.0° |
CD2 | CE2 | HE2 | 120.9° | 119.9° |
CZ | CE1 | HE1 | 118.9° | 120.0° |
CE1 | CZ | CE2 | 121.0° | 119.9° |
CE1 | CZ | OH | 120.9° | 120.1° |
CZ | CE2 | HE2 | 120.5° | 120.1° |
CE2 | CZ | OH | 118.1° | 120.0° |
CZ | OH | HH | 120.9° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 125.3° | 113.8° |
N | CA | C | CB | 121.8° | 120.0° |
N | CA | C | HA | 118.8° | 120.0° |
N | CA | CB | HA | 118.8° | 120.0° |
N | CA | C | O | 177.2° | 0.0° |
N | CA | C | HC | 2.7° | 179.9° |
N | CA | CB | CG | 72.0° | 60.0° |
N | CA | CB | HB2 | 53.2° | 60.0° |
N | CA | CB | HB3 | 162.8° | 180.0° |
H | N | CA | C | 180.0° | 60.0° |
H | N | CA | CB | 58.0° | 60.0° |
H | N | CA | HA | 61.4° | 180.0° |
H2 | N | CA | C | 54.7° | 173.8° |
H2 | N | CA | CB | 67.3° | 53.8° |
H2 | N | CA | HA | 173.3° | 66.2° |
C | CA | CB | HA | 118.6° | 120.0° |
CA | C | O | HC | 180.0° | 179.9° |
C | CA | CB | CG | 165.5° | 180.0° |
C | CA | CB | HB2 | 69.3° | 60.0° |
C | CA | CB | HB3 | 40.2° | 60.0° |
CB | CA | C | O | 61.0° | 120.0° |
CB | CA | C | HC | 119.0° | 60.1° |
CA | CB | CG | HB2 | 125.2° | 120.0° |
CA | CB | CG | HB3 | 125.2° | 120.0° |
CA | CB | HB2 | HB3 | 116.0° | 120.0° |
CA | CB | CG | CD1 | 142.1° | 90.0° |
CA | CB | CG | CD2 | 37.9° | 90.4° |
HA | CA | C | O | 58.4° | 120.0° |
HA | CA | C | HC | 121.6° | 59.9° |
HA | CA | CB | CG | 46.8° | 60.0° |
HA | CA | CB | HB2 | 172.1° | 180.0° |
HA | CA | CB | HB3 | 78.4° | 60.0° |
CG | CB | HB2 | HB3 | 116.0° | 120.0° |
CB | CG | CD1 | CD2 | 180.0° | 179.6° |
CB | CG | CD1 | CE1 | 179.8° | 180.0° |
CB | CG | CD1 | HD1 | 0.3° | 0.0° |
CB | CG | CD2 | CE2 | 180.0° | 179.8° |
CB | CG | CD2 | HD2 | 0.1° | 0.4° |
HB2 | CB | CG | CD1 | 16.9° | 30.0° |
HB2 | CB | CG | CD2 | 163.1° | 149.6° |
HB3 | CB | CG | CD1 | 92.6° | 150.0° |
HB3 | CB | CG | CD2 | 87.3° | 29.6° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CD1 | CG | CD2 | CE2 | 0.0° | 0.6° |
CD1 | CG | CD2 | HD2 | 179.9° | 180.0° |
CG | CD1 | CE1 | CZ | 0.5° | 0.1° |
CG | CD1 | CE1 | HE1 | 179.5° | 179.9° |
CD2 | CG | CD1 | CE1 | 0.2° | 0.4° |
CD2 | CG | CD1 | HD1 | 179.7° | 179.6° |
CG | CD2 | CE2 | HD2 | 180.0° | 179.4° |
CG | CD2 | CE2 | CZ | 0.1° | 0.6° |
CG | CD2 | CE2 | HE2 | 179.9° | 179.6° |
CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
CD1 | CE1 | CZ | CE2 | 0.7° | 0.1° |
CD1 | CE1 | CZ | OH | 179.9° | 180.0° |
HD1 | CD1 | CE1 | CZ | 179.4° | 179.9° |
HD1 | CD1 | CE1 | HE1 | 0.6° | 0.1° |
CD2 | CE2 | CZ | CE1 | 0.5° | 0.3° |
CD2 | CE2 | CZ | HE2 | 180.0° | 179.8° |
CD2 | CE2 | CZ | OH | 179.9° | 179.7° |
HD2 | CD2 | CE2 | CZ | 179.8° | 180.0° |
HD2 | CD2 | CE2 | HE2 | 0.2° | 0.2° |
CE1 | CZ | CE2 | OH | 179.4° | 180.0° |
CE1 | CZ | CE2 | HE2 | 179.6° | 179.9° |
CE1 | CZ | OH | HH | 179.9° | 90.1° |
HE1 | CE1 | CZ | CE2 | 179.4° | 180.0° |
HE1 | CE1 | CZ | OH | 0.0° | 0.0° |
CE2 | CZ | OH | HH | 0.7° | 90.0° |
HE2 | CE2 | CZ | OH | 0.1° | 0.1° |