LTN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NH3 | CA | sing | 1.47Å | 1.48Å | |
NH3 | HH31 | sing | 1.01Å | 1.02Å | |
NH3 | HH32 | sing | 1.01Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | C | sing | 1.51Å | 1.51Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
CB | CG | sing | 1.51Å | 1.51Å | |
CB | HB1 | sing | 1.09Å | 1.12Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CG | CD2 | sing | 1.46Å | 1.36Å | Aromatic |
CG | CD1 | doub | 1.34Å | 1.36Å | Aromatic |
CD2 | CE2 | doub | 1.41Å | 1.40Å | Aromatic |
CD2 | CE3 | sing | 1.40Å | 1.38Å | Aromatic |
CE2 | NE1 | sing | 1.38Å | 1.33Å | Aromatic |
CE2 | CZ2 | sing | 1.39Å | 1.40Å | Aromatic |
CE3 | CZ3 | doub | 1.37Å | 1.39Å | Aromatic |
CE3 | HE3 | sing | 1.08Å | 1.10Å | |
CD1 | NE1 | sing | 1.37Å | 1.31Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.10Å | |
NE1 | HE1 | sing | 0.97Å | 1.02Å | |
CZ2 | CH2 | doub | 1.38Å | 1.40Å | Aromatic |
CZ2 | HZ2 | sing | 1.08Å | 1.10Å | |
CZ3 | CH2 | sing | 1.39Å | 1.39Å | Aromatic |
CZ3 | HZ3 | sing | 1.08Å | 1.10Å | |
CH2 | HH2 | sing | 1.08Å | 1.10Å | |
C | O | doub | 1.21Å | 1.38Å | |
C | N | sing | 1.35Å | 1.23Å | |
N | HN1 | sing | 0.97Å | 1.02Å | |
N | HN2 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | NH3 | HH31 | 112.0° | 106.8° |
CA | NH3 | HH32 | 110.0° | 106.7° |
NH3 | CA | CB | 110.0° | 109.5° |
NH3 | CA | C | 111.3° | 109.5° |
NH3 | CA | HA | 108.1° | 109.5° |
HH31 | NH3 | HH32 | 112.0° | 106.7° |
CB | CA | C | 110.1° | 109.5° |
CB | CA | HA | 109.4° | 109.4° |
CA | CB | CG | 109.6° | 109.4° |
CA | CB | HB1 | 112.1° | 109.4° |
CA | CB | HB2 | 112.2° | 109.5° |
C | CA | HA | 108.0° | 109.5° |
CA | C | O | 118.7° | 120.0° |
CA | C | N | 123.0° | 120.0° |
CG | CB | HB1 | 112.1° | 109.5° |
CG | CB | HB2 | 112.1° | 109.4° |
CB | CG | CD2 | 125.5° | 126.6° |
CB | CG | CD1 | 122.1° | 126.5° |
HB1 | CB | HB2 | 98.3° | 109.5° |
CD2 | CG | CD1 | 112.4° | 106.9° |
CG | CD2 | CE2 | 102.1° | 106.1° |
CG | CD2 | CE3 | 136.7° | 134.0° |
CG | CD1 | NE1 | 105.3° | 109.9° |
CG | CD1 | HD1 | 128.8° | 125.1° |
CE2 | CD2 | CE3 | 121.2° | 119.9° |
CD2 | CE2 | NE1 | 109.5° | 107.1° |
CD2 | CE2 | CZ2 | 120.1° | 119.3° |
CD2 | CE3 | CZ3 | 119.0° | 119.7° |
CD2 | CE3 | HE3 | 120.3° | 120.1° |
NE1 | CE2 | CZ2 | 130.4° | 133.5° |
CE2 | NE1 | CD1 | 110.8° | 109.9° |
CE2 | NE1 | HE1 | 125.2° | 125.1° |
CE2 | CZ2 | CH2 | 118.4° | 119.8° |
CE2 | CZ2 | HZ2 | 120.8° | 120.1° |
CZ3 | CE3 | HE3 | 120.7° | 120.1° |
CE3 | CZ3 | CH2 | 120.6° | 120.5° |
CE3 | CZ3 | HZ3 | 119.5° | 119.7° |
NE1 | CD1 | HD1 | 125.8° | 125.0° |
CD1 | NE1 | HE1 | 124.1° | 125.0° |
CH2 | CZ2 | HZ2 | 120.7° | 120.1° |
CZ2 | CH2 | CZ3 | 120.7° | 120.7° |
CZ2 | CH2 | HH2 | 119.8° | 119.6° |
CH2 | CZ3 | HZ3 | 120.0° | 119.7° |
CZ3 | CH2 | HH2 | 119.5° | 119.7° |
O | C | N | 118.2° | 120.0° |
C | N | HN1 | 122.9° | 119.9° |
C | N | HN2 | 118.2° | 120.0° |
HN1 | N | HN2 | 118.7° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | NH3 | HH31 | HH32 | 124.2° | 113.8° |
NH3 | CA | CB | C | 122.9° | 120.0° |
NH3 | CA | CB | HA | 118.6° | 120.0° |
NH3 | CA | C | HA | 118.5° | 120.0° |
NH3 | CA | CB | CG | 58.7° | 60.0° |
NH3 | CA | CB | HB1 | 176.0° | 60.0° |
NH3 | CA | CB | HB2 | 66.6° | 180.0° |
NH3 | CA | C | O | 12.2° | 30.0° |
NH3 | CA | C | N | 163.1° | 149.9° |
HH31 | NH3 | CA | CB | 54.7° | 60.0° |
HH31 | NH3 | CA | C | 176.9° | 60.0° |
HH31 | NH3 | CA | HA | 64.6° | 180.0° |
HH32 | NH3 | CA | CB | 180.0° | 53.8° |
HH32 | NH3 | CA | C | 57.8° | 173.8° |
HH32 | NH3 | CA | HA | 60.7° | 66.2° |
CB | CA | C | HA | 119.3° | 120.0° |
CA | CB | CG | HB1 | 125.2° | 120.0° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 118.1° | 120.0° |
CA | CB | CG | CD2 | 77.7° | 90.3° |
CA | CB | CG | CD1 | 101.2° | 90.0° |
CB | CA | C | O | 110.0° | 90.1° |
CB | CA | C | N | 74.8° | 90.1° |
C | CA | CB | CG | 178.3° | 180.0° |
C | CA | CB | HB1 | 53.1° | 60.0° |
C | CA | CB | HB2 | 56.4° | 60.0° |
CA | C | O | N | 175.5° | 179.9° |
CA | C | N | HN1 | 180.0° | 180.0° |
CA | C | N | HN2 | 4.7° | 0.2° |
HA | CA | CB | CG | 59.8° | 60.0° |
HA | CA | CB | HB1 | 65.4° | 180.0° |
HA | CA | CB | HB2 | 174.9° | 60.0° |
HA | CA | C | O | 130.7° | 150.0° |
HA | CA | C | N | 44.6° | 29.9° |
CG | CB | HB1 | HB2 | 118.1° | 120.0° |
CB | CG | CD2 | CD1 | 179.0° | 179.7° |
CB | CG | CD2 | CE2 | 179.4° | 180.0° |
CB | CG | CD2 | CE3 | 0.6° | 0.8° |
CB | CG | CD1 | NE1 | 179.5° | 180.0° |
CB | CG | CD1 | HD1 | 0.5° | 0.1° |
HB1 | CB | CG | CD2 | 47.5° | 149.7° |
HB1 | CB | CG | CD1 | 133.6° | 29.9° |
HB2 | CB | CG | CD2 | 157.0° | 29.7° |
HB2 | CB | CG | CD1 | 24.1° | 150.0° |
CG | CD2 | CE2 | CE3 | 180.0° | 179.3° |
CG | CD2 | CE2 | NE1 | 0.2° | 0.3° |
CG | CD2 | CE2 | CZ2 | 179.5° | 179.8° |
CG | CD2 | CE3 | CZ3 | 179.6° | 179.7° |
CG | CD2 | CE3 | HE3 | 0.4° | 0.6° |
CD2 | CG | CD1 | NE1 | 0.5° | 0.3° |
CD2 | CG | CD1 | HD1 | 179.5° | 179.8° |
CD1 | CG | CD2 | CE2 | 0.4° | 0.3° |
CD1 | CG | CD2 | CE3 | 179.5° | 179.5° |
CG | CD1 | NE1 | CE2 | 0.3° | 0.1° |
CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
CG | CD1 | NE1 | HE1 | 179.7° | 179.9° |
CD2 | CE2 | NE1 | CZ2 | 179.7° | 179.9° |
CE2 | CD2 | CE3 | CZ3 | 0.4° | 0.6° |
CE2 | CD2 | CE3 | HE3 | 179.6° | 179.8° |
CD2 | CE2 | NE1 | CD1 | 0.1° | 0.1° |
CD2 | CE2 | NE1 | HE1 | 179.9° | 179.7° |
CD2 | CE2 | CZ2 | CH2 | 0.1° | 0.2° |
CD2 | CE2 | CZ2 | HZ2 | 179.9° | 179.8° |
CE3 | CD2 | CE2 | NE1 | 179.8° | 179.6° |
CE3 | CD2 | CE2 | CZ2 | 0.5° | 0.5° |
CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.6° |
CD2 | CE3 | CZ3 | CH2 | 0.0° | 0.4° |
CD2 | CE3 | CZ3 | HZ3 | 180.0° | 179.7° |
CE2 | NE1 | CD1 | HE1 | 180.0° | 179.8° |
CE2 | NE1 | CD1 | HD1 | 179.6° | 180.0° |
NE1 | CE2 | CZ2 | CH2 | 179.8° | 179.9° |
NE1 | CE2 | CZ2 | HZ2 | 0.2° | 0.1° |
CZ2 | CE2 | NE1 | CD1 | 179.8° | 180.0° |
CZ2 | CE2 | NE1 | HE1 | 0.2° | 0.2° |
CE2 | CZ2 | CH2 | HZ2 | 180.0° | 180.0° |
CE2 | CZ2 | CH2 | CZ3 | 0.4° | 0.0° |
CE2 | CZ2 | CH2 | HH2 | 179.6° | 180.0° |
CE3 | CZ3 | CH2 | CZ2 | 0.4° | 0.1° |
CE3 | CZ3 | CH2 | HZ3 | 180.0° | 179.9° |
CE3 | CZ3 | CH2 | HH2 | 179.6° | 179.9° |
HE3 | CE3 | CZ3 | CH2 | 180.0° | 180.0° |
HE3 | CE3 | CZ3 | HZ3 | 0.0° | 0.0° |
HD1 | CD1 | NE1 | HE1 | 0.3° | 0.2° |
CZ2 | CH2 | CZ3 | HH2 | 180.0° | 180.0° |
CZ2 | CH2 | CZ3 | HZ3 | 179.6° | 180.0° |
HZ2 | CZ2 | CH2 | CZ3 | 179.6° | 180.0° |
HZ2 | CZ2 | CH2 | HH2 | 0.4° | 0.0° |
HZ3 | CZ3 | CH2 | HH2 | 0.5° | 0.0° |
O | C | N | HN1 | 4.7° | 0.1° |
O | C | N | HN2 | 180.0° | 179.9° |
C | N | HN1 | HN2 | 175.3° | 179.8° |