0MV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.23Å | |
CZ3 | CE3 | doub | 1.37Å | 1.39Å | Aromatic |
CZ3 | CH2 | sing | 1.39Å | 1.39Å | Aromatic |
CE3 | CD2 | sing | 1.40Å | 1.34Å | Aromatic |
C | NAM | sing | 1.33Å | 1.40Å | |
C | CA | sing | 1.50Å | 1.41Å | |
NAM | CAS | sing | 1.38Å | 1.41Å | |
CAG | CAS | doub | 1.40Å | 1.39Å | Aromatic |
CAG | CAC | sing | 1.38Å | 1.39Å | Aromatic |
CB | CA | sing | 1.53Å | 1.53Å | |
CB | CG | sing | 1.51Å | 1.54Å | |
CH2 | CZ2 | doub | 1.38Å | 1.39Å | Aromatic |
CA | N | sing | 1.47Å | 1.49Å | |
CD2 | CG | sing | 1.47Å | 1.33Å | Aromatic |
CD2 | CE2 | doub | 1.41Å | 1.34Å | Aromatic |
CAS | CAT | sing | 1.39Å | 1.39Å | Aromatic |
CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
CG | CD1 | doub | 1.34Å | 1.33Å | Aromatic |
CZ2 | CE2 | sing | 1.39Å | 1.34Å | Aromatic |
CE2 | NE1 | sing | 1.38Å | 1.34Å | Aromatic |
CD1 | NE1 | sing | 1.37Å | 1.33Å | Aromatic |
CAT | CAH | doub | 1.41Å | 1.39Å | Aromatic |
CAT | CAP | sing | 1.47Å | 1.39Å | |
CAD | CAH | sing | 1.37Å | 1.39Å | Aromatic |
N | CAP | sing | 1.33Å | 1.40Å | |
CAP | OAA | doub | 1.22Å | 1.23Å | |
NAM | H1 | sing | 0.97Å | 1.00Å | |
CAG | H2 | sing | 1.08Å | 1.08Å | |
CAC | H3 | sing | 1.08Å | 1.08Å | |
CAD | H4 | sing | 1.08Å | 1.08Å | |
CAH | H5 | sing | 1.08Å | 1.08Å | |
N | H6 | sing | 0.97Å | 1.00Å | |
CA | H7 | sing | 1.09Å | 1.10Å | |
CB | H8 | sing | 1.09Å | 1.10Å | |
CB | H9 | sing | 1.09Å | 1.10Å | |
CE3 | H10 | sing | 1.08Å | 1.08Å | |
CZ3 | H11 | sing | 1.08Å | 1.08Å | |
CH2 | H12 | sing | 1.08Å | 1.08Å | |
CZ2 | H13 | sing | 1.08Å | 1.08Å | |
NE1 | H14 | sing | 0.97Å | 1.00Å | |
CD1 | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | NAM | 117.2° | 119.0° |
O | C | CA | 120.8° | 119.0° |
CE3 | CZ3 | CH2 | 118.3° | 120.5° |
CZ3 | CE3 | CD2 | 120.5° | 119.8° |
CZ3 | CE3 | H10 | 119.8° | 120.1° |
CE3 | CZ3 | H11 | 120.8° | 119.7° |
CZ3 | CH2 | CZ2 | 118.8° | 120.7° |
CH2 | CZ3 | H11 | 120.9° | 119.8° |
CZ3 | CH2 | H12 | 120.6° | 119.6° |
CE3 | CD2 | CG | 132.6° | 134.0° |
CE3 | CD2 | CE2 | 121.1° | 120.0° |
CD2 | CE3 | H10 | 119.8° | 120.2° |
NAM | C | CA | 122.0° | 122.0° |
C | NAM | CAS | 124.0° | 125.6° |
C | NAM | H1 | 118.0° | 117.2° |
C | CA | CB | 115.0° | 109.5° |
C | CA | N | 110.1° | 108.6° |
C | CA | H7 | 107.4° | 109.6° |
NAM | CAS | CAG | 113.2° | 117.3° |
NAM | CAS | CAT | 126.1° | 123.5° |
CAS | NAM | H1 | 118.0° | 117.2° |
CAS | CAG | CAC | 118.7° | 120.7° |
CAG | CAS | CAT | 120.6° | 119.3° |
CAS | CAG | H2 | 120.7° | 119.7° |
CAG | CAC | CAD | 120.7° | 120.1° |
CAC | CAG | H2 | 120.7° | 119.7° |
CAG | CAC | H3 | 119.7° | 119.9° |
CA | CB | CG | 107.6° | 109.4° |
CB | CA | N | 111.4° | 109.7° |
CB | CA | H7 | 106.0° | 109.7° |
CA | CB | H8 | 109.9° | 109.5° |
CA | CB | H9 | 110.0° | 109.5° |
CB | CG | CD2 | 126.0° | 126.5° |
CB | CG | CD1 | 123.9° | 126.5° |
CG | CB | H8 | 110.0° | 109.4° |
CG | CB | H9 | 109.9° | 109.5° |
CH2 | CZ2 | CE2 | 120.4° | 119.7° |
CZ2 | CH2 | H12 | 120.6° | 119.7° |
CH2 | CZ2 | H13 | 119.8° | 120.1° |
CA | N | CAP | 125.4° | 121.4° |
CA | N | H6 | 117.3° | 119.3° |
N | CA | H7 | 106.4° | 109.7° |
CG | CD2 | CE2 | 106.3° | 106.0° |
CD2 | CG | CD1 | 110.1° | 107.0° |
CD2 | CE2 | CZ2 | 120.9° | 119.4° |
CD2 | CE2 | NE1 | 108.2° | 107.2° |
CAS | CAT | CAH | 120.8° | 119.3° |
CAS | CAT | CAP | 124.9° | 123.1° |
CAC | CAD | CAH | 120.6° | 120.1° |
CAD | CAC | H3 | 119.7° | 119.9° |
CAC | CAD | H4 | 119.7° | 119.9° |
CG | CD1 | NE1 | 106.7° | 109.9° |
CG | CD1 | H15 | 126.6° | 125.0° |
CZ2 | CE2 | NE1 | 130.9° | 133.5° |
CE2 | CZ2 | H13 | 119.8° | 120.2° |
CE2 | NE1 | CD1 | 108.8° | 109.9° |
CE2 | NE1 | H14 | 125.6° | 125.0° |
CD1 | NE1 | H14 | 125.6° | 125.1° |
NE1 | CD1 | H15 | 126.7° | 125.0° |
CAH | CAT | CAP | 114.3° | 117.5° |
CAT | CAH | CAD | 118.6° | 120.5° |
CAT | CAH | H5 | 120.7° | 119.8° |
CAT | CAP | N | 121.4° | 124.4° |
CAT | CAP | OAA | 120.8° | 117.8° |
CAH | CAD | H4 | 119.7° | 120.0° |
CAD | CAH | H5 | 120.7° | 119.7° |
N | CAP | OAA | 117.8° | 117.8° |
CAP | N | H6 | 117.3° | 119.2° |
H8 | CB | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | NAM | CA | 179.8° | 179.7° |
O | C | NAM | CAS | 179.2° | 177.5° |
O | C | CA | CB | 6.5° | 123.8° |
O | C | CA | N | 120.2° | 116.3° |
O | C | NAM | H1 | 0.9° | 2.5° |
O | C | CA | H7 | 124.3° | 3.5° |
CE3 | CZ3 | CH2 | H11 | 180.0° | 180.0° |
CZ3 | CE3 | CD2 | H10 | 180.0° | 180.0° |
CE3 | CZ3 | CH2 | CZ2 | 0.1° | 0.0° |
CZ3 | CE3 | CD2 | CG | 179.8° | 180.0° |
CZ3 | CE3 | CD2 | CE2 | 0.3° | 0.0° |
CE3 | CZ3 | CH2 | H12 | 179.9° | 180.0° |
CH2 | CZ3 | CE3 | CD2 | 0.3° | 0.0° |
CZ3 | CH2 | CZ2 | H12 | 180.0° | 180.0° |
CZ3 | CH2 | CZ2 | CE2 | 0.1° | 0.0° |
CH2 | CZ3 | CE3 | H10 | 179.7° | 180.0° |
CZ3 | CH2 | CZ2 | H13 | 179.9° | 180.0° |
CE3 | CD2 | CG | CB | 0.6° | 0.0° |
CE3 | CD2 | CG | CE2 | 179.5° | 180.0° |
CE3 | CD2 | CG | CD1 | 179.9° | 179.8° |
CE3 | CD2 | CE2 | CZ2 | 0.1° | 0.0° |
CE3 | CD2 | CE2 | NE1 | 179.9° | 180.0° |
CD2 | CE3 | CZ3 | H11 | 179.7° | 180.0° |
C | NAM | CAS | H1 | 180.0° | 180.0° |
C | NAM | CAS | CAG | 139.8° | 139.1° |
NAM | C | CA | CB | 173.2° | 55.9° |
NAM | C | CA | N | 60.0° | 63.9° |
C | NAM | CAS | CAT | 39.1° | 41.0° |
NAM | C | CA | H7 | 55.5° | 176.3° |
CA | C | NAM | CAS | 0.6° | 2.2° |
C | CA | CB | N | 126.1° | 119.1° |
C | CA | CB | H7 | 118.5° | 120.3° |
C | CA | CB | CG | 176.3° | 175.0° |
C | CA | N | H7 | 116.1° | 119.8° |
C | CA | N | CAP | 63.4° | 63.2° |
CA | C | NAM | H1 | 179.4° | 177.7° |
C | CA | N | H6 | 116.6° | 117.0° |
C | CA | CB | H8 | 63.9° | 65.0° |
C | CA | CB | H9 | 56.7° | 55.1° |
NAM | CAS | CAG | CAT | 179.0° | 180.0° |
NAM | CAS | CAG | CAC | 179.0° | 179.8° |
NAM | CAS | CAT | CAH | 178.6° | 179.6° |
NAM | CAS | CAT | CAP | 0.1° | 0.6° |
NAM | CAS | CAG | H2 | 1.0° | 0.2° |
CAS | CAG | CAC | H2 | 180.0° | 179.9° |
CAS | CAG | CAC | CAD | 0.0° | 0.0° |
CAG | CAS | CAT | CAH | 0.3° | 0.3° |
CAG | CAS | CAT | CAP | 179.0° | 179.5° |
CAG | CAS | NAM | H1 | 40.2° | 41.0° |
CAS | CAG | CAC | H3 | 180.0° | 180.0° |
CAC | CAG | CAS | CAT | 0.1° | 0.2° |
CAG | CAC | CAD | H3 | 180.0° | 180.0° |
CAG | CAC | CAD | CAH | 0.3° | 0.1° |
CAG | CAC | CAD | H4 | 179.7° | 179.9° |
CA | CB | CG | H8 | 119.7° | 120.0° |
CA | CB | CG | H9 | 119.7° | 120.0° |
CB | CA | N | H7 | 115.1° | 120.6° |
CA | CB | CG | CD2 | 72.1° | 85.2° |
CA | CB | CG | CD1 | 107.2° | 95.0° |
CB | CA | N | CAP | 167.9° | 56.5° |
CB | CA | N | H6 | 12.1° | 123.3° |
CA | CB | H8 | H9 | 120.9° | 120.1° |
CG | CB | CA | N | 57.6° | 65.9° |
CB | CG | CD2 | CD1 | 179.3° | 179.8° |
CB | CG | CD2 | CE2 | 179.9° | 180.0° |
CB | CG | CD1 | NE1 | 179.9° | 179.8° |
CG | CB | CA | H7 | 57.8° | 54.7° |
CG | CB | H8 | H9 | 120.9° | 120.0° |
CB | CG | CD1 | H15 | 0.1° | 0.1° |
CH2 | CZ2 | CE2 | CD2 | 0.1° | 0.0° |
CH2 | CZ2 | CE2 | H13 | 180.0° | 179.9° |
CH2 | CZ2 | CE2 | NE1 | 179.9° | 180.0° |
CZ2 | CH2 | CZ3 | H11 | 179.9° | 180.0° |
CA | N | CAP | CAT | 1.6° | 0.6° |
CA | N | CAP | H6 | 180.0° | 179.8° |
CA | N | CAP | OAA | 179.8° | 179.4° |
N | CA | CB | H8 | 62.2° | 54.1° |
N | CA | CB | H9 | 177.2° | 174.1° |
CG | CD2 | CE2 | CZ2 | 179.7° | 180.0° |
CG | CD2 | CE2 | NE1 | 0.3° | 0.0° |
CD2 | CG | CD1 | NE1 | 0.6° | 0.4° |
CD2 | CG | CB | H8 | 168.2° | 34.7° |
CD2 | CG | CB | H9 | 47.6° | 154.8° |
CG | CD2 | CE3 | H10 | 0.2° | 0.0° |
CD2 | CG | CD1 | H15 | 179.5° | 179.7° |
CE2 | CD2 | CG | CD1 | 0.5° | 0.2° |
CD2 | CE2 | CZ2 | NE1 | 180.0° | 180.0° |
CD2 | CE2 | NE1 | CD1 | 0.1° | 0.3° |
CE2 | CD2 | CE3 | H10 | 179.7° | 180.0° |
CD2 | CE2 | CZ2 | H13 | 179.9° | 180.0° |
CD2 | CE2 | NE1 | H14 | 179.9° | 180.0° |
CAS | CAT | CAH | CAP | 178.9° | 179.8° |
CAS | CAT | CAH | CAD | 0.6° | 0.3° |
CAS | CAT | CAP | N | 36.2° | 40.1° |
CAS | CAT | CAP | OAA | 142.4° | 140.0° |
CAT | CAS | NAM | H1 | 140.9° | 139.0° |
CAT | CAS | CAG | H2 | 179.9° | 179.9° |
CAS | CAT | CAH | H5 | 179.4° | 179.8° |
CAC | CAD | CAH | CAT | 0.6° | 0.0° |
CAC | CAD | CAH | H4 | 180.0° | 180.0° |
CAD | CAC | CAG | H2 | 180.0° | 179.9° |
CAC | CAD | CAH | H5 | 179.4° | 180.0° |
CG | CD1 | NE1 | CE2 | 0.4° | 0.4° |
CG | CD1 | NE1 | H15 | 180.0° | 179.9° |
CD1 | CG | CB | H8 | 12.5° | 145.0° |
CD1 | CG | CB | H9 | 133.1° | 25.0° |
CG | CD1 | NE1 | H14 | 179.6° | 179.9° |
CZ2 | CE2 | NE1 | CD1 | 179.9° | 179.8° |
CE2 | CZ2 | CH2 | H12 | 179.9° | 180.0° |
CZ2 | CE2 | NE1 | H14 | 0.0° | 0.0° |
CE2 | NE1 | CD1 | H14 | 180.0° | 179.7° |
NE1 | CE2 | CZ2 | H13 | 0.1° | 0.1° |
CE2 | NE1 | CD1 | H15 | 179.6° | 179.7° |
CAT | CAH | CAD | H5 | 180.0° | 180.0° |
CAH | CAT | CAP | N | 142.6° | 139.7° |
CAH | CAT | CAP | OAA | 38.8° | 40.2° |
CAT | CAH | CAD | H4 | 179.4° | 180.0° |
CAP | CAT | CAH | CAD | 179.4° | 179.6° |
CAT | CAP | N | OAA | 178.6° | 180.0° |
CAP | CAT | CAH | H5 | 0.6° | 0.4° |
CAT | CAP | N | H6 | 178.4° | 179.2° |
CAH | CAD | CAC | H3 | 179.7° | 180.0° |
CAP | N | CA | H7 | 52.8° | 177.1° |
OAA | CAP | N | H6 | 0.2° | 0.7° |
H2 | CAG | CAC | H3 | 0.0° | 0.0° |
H3 | CAC | CAD | H4 | 0.3° | 0.1° |
H4 | CAD | CAH | H5 | 0.6° | 0.0° |
H6 | N | CA | H7 | 127.2° | 2.8° |
H7 | CA | CB | H8 | 177.5° | 174.7° |
H7 | CA | CB | H9 | 61.9° | 65.3° |
H10 | CE3 | CZ3 | H11 | 0.3° | 0.0° |
H11 | CZ3 | CH2 | H12 | 0.0° | 0.0° |
H12 | CH2 | CZ2 | H13 | 0.1° | 0.1° |
H14 | NE1 | CD1 | H15 | 0.4° | 0.0° |