OHD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | doub | 1.22Å | 1.20Å | |
O3 | C3 | doub | 1.21Å | 1.23Å | |
C3 | CA3 | sing | 1.51Å | 1.51Å | |
C2 | CA2 | sing | 1.47Å | 1.36Å | |
C2 | N3 | sing | 1.35Å | 1.32Å | |
CL | CE2 | sing | 1.74Å | 1.78Å | |
CB2 | CA2 | doub | 1.38Å | 1.33Å | |
CB2 | CG2 | sing | 1.46Å | 1.54Å | |
CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
CD2 | CG2 | sing | 1.40Å | 1.37Å | Aromatic |
CA3 | N3 | sing | 1.46Å | 1.46Å | |
CA2 | N2 | sing | 1.37Å | 1.32Å | |
N3 | C1 | sing | 1.37Å | 1.34Å | |
CE2 | CZ | sing | 1.39Å | 1.38Å | Aromatic |
CG2 | CD1 | doub | 1.40Å | 1.38Å | Aromatic |
N2 | C1 | doub | 1.30Å | 1.36Å | |
C1 | CA1 | sing | 1.51Å | 1.52Å | |
CZ | OH | sing | 1.36Å | 1.42Å | |
CZ | CE1 | doub | 1.39Å | 1.39Å | Aromatic |
CD1 | CE1 | sing | 1.38Å | 1.37Å | Aromatic |
CA1 | N1 | sing | 1.47Å | 1.47Å | |
CA1 | CB1 | sing | 1.53Å | 1.50Å | |
C3 | OXT | sing | 1.34Å | 1.37Å | |
N1 | H2 | sing | 1.01Å | 1.00Å | |
N1 | H | sing | 1.01Å | 1.00Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
CB1 | H5 | sing | 1.09Å | 1.10Å | |
CB1 | H6 | sing | 1.09Å | 1.10Å | |
CB1 | H7 | sing | 1.09Å | 1.10Å | |
CA3 | HA31 | sing | 1.09Å | 1.10Å | |
CA3 | HA32 | sing | 1.09Å | 1.10Å | |
CB2 | H11 | sing | 1.08Å | 1.08Å | |
CD1 | H13 | sing | 1.08Å | 1.08Å | |
CD2 | H14 | sing | 1.08Å | 1.08Å | |
CE1 | H15 | sing | 1.08Å | 1.08Å | |
OH | H16 | sing | 0.97Å | 0.95Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | CA2 | 126.4° | 127.4° |
O2 | C2 | N3 | 125.2° | 127.3° |
O3 | C3 | CA3 | 120.4° | 120.0° |
O3 | C3 | OXT | 118.8° | 120.0° |
C3 | CA3 | N3 | 111.7° | 109.4° |
CA3 | C3 | OXT | 114.4° | 120.0° |
C3 | CA3 | HA31 | 108.9° | 109.5° |
C3 | CA3 | HA32 | 108.9° | 109.5° |
CA2 | C2 | N3 | 108.4° | 105.3° |
C2 | CA2 | CB2 | 124.1° | 127.1° |
C2 | CA2 | N2 | 108.4° | 105.7° |
C2 | N3 | CA3 | 126.1° | 125.8° |
C2 | N3 | C1 | 107.4° | 108.3° |
CL | CE2 | CD2 | 119.5° | 119.9° |
CL | CE2 | CZ | 120.2° | 119.9° |
CA2 | CB2 | CG2 | 126.6° | 120.0° |
CB2 | CA2 | N2 | 127.5° | 127.2° |
CA2 | CB2 | H11 | 116.7° | 120.0° |
CB2 | CG2 | CD2 | 117.2° | 120.2° |
CB2 | CG2 | CD1 | 123.2° | 120.1° |
CG2 | CB2 | H11 | 116.7° | 120.0° |
CE2 | CD2 | CG2 | 120.1° | 119.9° |
CD2 | CE2 | CZ | 120.4° | 120.2° |
CE2 | CD2 | H14 | 119.9° | 120.1° |
CD2 | CG2 | CD1 | 119.6° | 119.7° |
CG2 | CD2 | H14 | 120.0° | 120.1° |
CA3 | N3 | C1 | 126.5° | 125.8° |
N3 | CA3 | HA31 | 108.9° | 109.5° |
N3 | CA3 | HA32 | 108.9° | 109.5° |
CA2 | N2 | C1 | 106.9° | 109.4° |
N3 | C1 | N2 | 108.9° | 111.3° |
N3 | C1 | CA1 | 125.4° | 124.3° |
CE2 | CZ | OH | 119.2° | 119.9° |
CE2 | CZ | CE1 | 119.5° | 120.2° |
CG2 | CD1 | CE1 | 120.7° | 119.9° |
CG2 | CD1 | H13 | 119.7° | 120.1° |
N2 | C1 | CA1 | 125.6° | 124.4° |
C1 | CA1 | N1 | 107.4° | 109.5° |
C1 | CA1 | CB1 | 113.5° | 109.5° |
C1 | CA1 | HA1 | 108.4° | 109.5° |
OH | CZ | CE1 | 121.3° | 119.9° |
CZ | OH | H16 | 109.5° | 114.0° |
CZ | CE1 | CD1 | 119.7° | 120.1° |
CZ | CE1 | H15 | 120.1° | 119.9° |
CE1 | CD1 | H13 | 119.6° | 120.0° |
CD1 | CE1 | H15 | 120.2° | 120.0° |
N1 | CA1 | CB1 | 109.8° | 109.5° |
CA1 | N1 | H2 | 109.5° | 111.0° |
CA1 | N1 | H | 109.5° | 110.9° |
N1 | CA1 | HA1 | 109.0° | 109.4° |
CB1 | CA1 | HA1 | 108.6° | 109.5° |
CA1 | CB1 | H5 | 109.5° | 109.5° |
CA1 | CB1 | H6 | 109.5° | 109.4° |
CA1 | CB1 | H7 | 109.5° | 109.5° |
C3 | OXT | HXT | 109.5° | 117.0° |
H2 | N1 | H | 109.5° | 111.0° |
H5 | CB1 | H6 | 109.5° | 109.5° |
H5 | CB1 | H7 | 109.4° | 109.5° |
H6 | CB1 | H7 | 109.5° | 109.5° |
HA31 | CA3 | HA32 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | CA2 | N3 | 179.2° | 180.0° |
O2 | C2 | CA2 | CB2 | 1.2° | 0.0° |
O2 | C2 | N3 | CA3 | 3.2° | 0.2° |
O2 | C2 | CA2 | N2 | 179.1° | 179.9° |
O2 | C2 | N3 | C1 | 179.3° | 179.8° |
O3 | C3 | CA3 | OXT | 151.6° | 180.0° |
O3 | C3 | CA3 | N3 | 162.0° | 0.0° |
O3 | C3 | CA3 | HA31 | 77.7° | 120.0° |
O3 | C3 | CA3 | HA32 | 41.7° | 120.0° |
O3 | C3 | OXT | HXT | 0.0° | 0.1° |
C3 | CA3 | N3 | C2 | 76.9° | 90.0° |
C3 | CA3 | N3 | HA31 | 120.3° | 120.0° |
C3 | CA3 | N3 | HA32 | 120.3° | 120.0° |
C3 | CA3 | N3 | C1 | 106.2° | 90.0° |
C3 | CA3 | HA31 | HA32 | 119.0° | 120.0° |
CA3 | C3 | OXT | HXT | 152.0° | 180.0° |
C2 | CA2 | CB2 | N2 | 177.5° | 179.9° |
C2 | CA2 | CB2 | CG2 | 166.0° | 174.8° |
CA2 | C2 | N3 | CA3 | 177.5° | 179.8° |
CA2 | C2 | N3 | C1 | 0.1° | 0.2° |
C2 | CA2 | N2 | C1 | 2.5° | 0.1° |
C2 | CA2 | CB2 | H11 | 14.1° | 5.3° |
N3 | C2 | CA2 | CB2 | 179.6° | 180.0° |
C2 | N3 | CA3 | C1 | 177.0° | 180.0° |
N3 | C2 | CA2 | N2 | 1.7° | 0.0° |
C2 | N3 | C1 | N2 | 1.5° | 0.3° |
C2 | N3 | C1 | CA1 | 177.6° | 180.0° |
C2 | N3 | CA3 | HA31 | 162.8° | 30.0° |
C2 | N3 | CA3 | HA32 | 43.5° | 150.0° |
CL | CE2 | CD2 | CZ | 179.6° | 179.9° |
CL | CE2 | CD2 | CG2 | 179.7° | 180.0° |
CL | CE2 | CZ | OH | 1.9° | 0.1° |
CL | CE2 | CZ | CE1 | 179.9° | 179.7° |
CL | CE2 | CD2 | H14 | 0.3° | 0.0° |
CA2 | CB2 | CG2 | H11 | 180.0° | 180.0° |
CA2 | CB2 | CG2 | CD2 | 167.1° | 5.7° |
CA2 | CB2 | CG2 | CD1 | 12.9° | 174.1° |
CB2 | CA2 | N2 | C1 | 179.7° | 179.8° |
CB2 | CG2 | CD2 | CE2 | 179.2° | 180.0° |
CB2 | CG2 | CD2 | CD1 | 180.0° | 179.7° |
CG2 | CB2 | CA2 | N2 | 11.5° | 5.1° |
CB2 | CG2 | CD1 | CE1 | 179.3° | 180.0° |
CB2 | CG2 | CD1 | H13 | 0.7° | 0.0° |
CB2 | CG2 | CD2 | H14 | 0.8° | 0.0° |
CE2 | CD2 | CG2 | H14 | 180.0° | 180.0° |
CE2 | CD2 | CG2 | CD1 | 0.8° | 0.3° |
CD2 | CE2 | CZ | OH | 177.8° | 180.0° |
CD2 | CE2 | CZ | CE1 | 0.4° | 0.2° |
CG2 | CD2 | CE2 | CZ | 0.6° | 0.0° |
CD2 | CG2 | CD1 | CE1 | 0.7° | 0.3° |
CD2 | CG2 | CB2 | H11 | 13.0° | 174.3° |
CD2 | CG2 | CD1 | H13 | 179.3° | 179.7° |
CA3 | N3 | C1 | N2 | 175.9° | 179.7° |
CA3 | N3 | C1 | CA1 | 0.1° | 0.0° |
N3 | CA3 | C3 | OXT | 46.5° | 180.0° |
N3 | CA3 | HA31 | HA32 | 119.0° | 120.0° |
CA2 | N2 | C1 | N3 | 2.5° | 0.2° |
CA2 | N2 | C1 | CA1 | 178.6° | 179.9° |
N2 | CA2 | CB2 | H11 | 168.5° | 174.8° |
N3 | C1 | N2 | CA1 | 176.0° | 179.7° |
N3 | C1 | CA1 | N1 | 68.6° | 144.7° |
N3 | C1 | CA1 | CB1 | 169.8° | 95.3° |
N3 | C1 | CA1 | HA1 | 49.0° | 24.7° |
C1 | N3 | CA3 | HA31 | 14.2° | 150.0° |
C1 | N3 | CA3 | HA32 | 133.5° | 30.0° |
CE2 | CZ | OH | CE1 | 178.2° | 179.8° |
CE2 | CZ | CE1 | CD1 | 0.3° | 0.2° |
CZ | CE2 | CD2 | H14 | 179.4° | 179.9° |
CE2 | CZ | CE1 | H15 | 179.7° | 179.7° |
CE2 | CZ | OH | H16 | 180.0° | 89.9° |
CG2 | CD1 | CE1 | CZ | 0.5° | 0.0° |
CG2 | CD1 | CE1 | H13 | 180.0° | 180.0° |
CD1 | CG2 | CB2 | H11 | 167.1° | 6.0° |
CD1 | CG2 | CD2 | H14 | 179.2° | 179.7° |
CG2 | CD1 | CE1 | H15 | 179.5° | 180.0° |
N2 | C1 | CA1 | N1 | 106.8° | 35.0° |
N2 | C1 | CA1 | CB1 | 14.8° | 85.0° |
N2 | C1 | CA1 | HA1 | 135.6° | 155.0° |
C1 | CA1 | N1 | CB1 | 123.9° | 120.0° |
C1 | CA1 | N1 | HA1 | 117.2° | 120.0° |
C1 | CA1 | CB1 | HA1 | 120.7° | 120.0° |
C1 | CA1 | N1 | H2 | 180.0° | 63.9° |
C1 | CA1 | N1 | H | 60.0° | 60.0° |
C1 | CA1 | CB1 | H5 | 180.0° | 60.0° |
C1 | CA1 | CB1 | H6 | 60.0° | 60.0° |
C1 | CA1 | CB1 | H7 | 60.0° | 180.0° |
OH | CZ | CE1 | CD1 | 177.8° | 180.0° |
OH | CZ | CE1 | H15 | 2.2° | 0.1° |
CZ | CE1 | CD1 | H15 | 180.0° | 179.9° |
CZ | CE1 | CD1 | H13 | 179.5° | 180.0° |
CE1 | CZ | OH | H16 | 1.8° | 90.3° |
N1 | CA1 | CB1 | HA1 | 119.1° | 119.9° |
CA1 | N1 | H2 | H | 120.0° | 123.9° |
N1 | CA1 | CB1 | H5 | 59.8° | 60.1° |
N1 | CA1 | CB1 | H6 | 60.2° | 180.0° |
N1 | CA1 | CB1 | H7 | 179.8° | 60.0° |
CB1 | CA1 | N1 | H2 | 56.1° | 176.1° |
CB1 | CA1 | N1 | H | 176.1° | 60.1° |
CA1 | CB1 | H5 | H6 | 120.0° | 119.9° |
CA1 | CB1 | H5 | H7 | 120.0° | 120.0° |
CA1 | CB1 | H6 | H7 | 120.0° | 120.0° |
OXT | C3 | CA3 | HA31 | 73.9° | 60.0° |
OXT | C3 | CA3 | HA32 | 166.8° | 60.0° |
H2 | N1 | CA1 | HA1 | 62.8° | 56.1° |
H | N1 | CA1 | HA1 | 57.2° | 180.0° |
HA1 | CA1 | CB1 | H5 | 59.3° | 180.0° |
HA1 | CA1 | CB1 | H6 | 179.3° | 60.0° |
HA1 | CA1 | CB1 | H7 | 60.7° | 60.0° |
H5 | CB1 | H6 | H7 | 119.9° | 120.0° |
H13 | CD1 | CE1 | H15 | 0.5° | 0.0° |