DYG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | CA1 | sing | 1.47Å | 1.46Å | |
N1 | H | sing | 1.01Å | 1.00Å | |
N1 | H2 | sing | 1.01Å | 1.00Å | |
OD2 | HD2 | sing | 0.97Å | 0.95Å | |
OD2 | CG1 | sing | 1.34Å | 1.26Å | |
OD1 | CG1 | doub | 1.21Å | 1.25Å | |
CG1 | CB1 | sing | 1.51Å | 1.52Å | |
CB1 | HB11 | sing | 1.09Å | 1.10Å | |
CB1 | HB12 | sing | 1.09Å | 1.10Å | |
CB1 | CA1 | sing | 1.53Å | 1.52Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
CA1 | C1 | sing | 1.51Å | 1.51Å | |
C1 | N2 | doub | 1.30Å | 1.30Å | |
C1 | N3 | sing | 1.37Å | 1.39Å | |
N2 | CA2 | sing | 1.37Å | 1.38Å | |
N3 | C2 | sing | 1.35Å | 1.39Å | |
N3 | CA3 | sing | 1.46Å | 1.47Å | |
C2 | CA2 | sing | 1.47Å | 1.44Å | |
C2 | O2 | doub | 1.22Å | 1.26Å | |
CA2 | CB2 | doub | 1.38Å | 1.39Å | |
CA3 | HA31 | sing | 1.09Å | 1.10Å | |
CA3 | HA32 | sing | 1.09Å | 1.10Å | |
CA3 | C3 | sing | 1.51Å | 1.51Å | |
CB2 | HB2 | sing | 1.08Å | 1.08Å | |
CB2 | CG2 | sing | 1.46Å | 1.39Å | |
CG2 | CD2 | doub | 1.40Å | 1.43Å | Aromatic |
CG2 | CD1 | sing | 1.40Å | 1.42Å | Aromatic |
CD1 | CE1 | doub | 1.37Å | 1.41Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CD2 | H1 | sing | 1.08Å | 1.08Å | |
CD2 | CE2 | sing | 1.37Å | 1.41Å | Aromatic |
CE1 | CZ | sing | 1.39Å | 1.42Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
CE2 | CZ | doub | 1.39Å | 1.42Å | Aromatic |
CZ | OH | sing | 1.36Å | 1.34Å | |
OH | HOH | sing | 0.97Å | 0.95Å | |
C3 | O3 | doub | 1.21Å | 1.23Å | |
C3 | OXT | sing | 1.34Å | 1.32Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA1 | N1 | H | 109.5° | 111.0° |
CA1 | N1 | H2 | 109.5° | 111.0° |
N1 | CA1 | CB1 | 110.5° | 109.5° |
N1 | CA1 | HA1 | 110.1° | 109.5° |
N1 | CA1 | C1 | 108.3° | 109.5° |
H | N1 | H2 | 109.4° | 111.0° |
HD2 | OD2 | CG1 | 109.5° | 117.0° |
OD2 | CG1 | OD1 | 124.2° | 120.0° |
OD2 | CG1 | CB1 | 112.9° | 120.0° |
OD1 | CG1 | CB1 | 122.9° | 120.0° |
CG1 | CB1 | HB11 | 108.3° | 109.5° |
CG1 | CB1 | HB12 | 107.6° | 109.5° |
CG1 | CB1 | CA1 | 112.9° | 109.5° |
HB11 | CB1 | HB12 | 112.2° | 109.4° |
HB11 | CB1 | CA1 | 108.3° | 109.5° |
HB12 | CB1 | CA1 | 107.6° | 109.5° |
CB1 | CA1 | HA1 | 107.4° | 109.4° |
CB1 | CA1 | C1 | 110.9° | 109.5° |
HA1 | CA1 | C1 | 109.6° | 109.4° |
CA1 | C1 | N2 | 127.0° | 124.3° |
CA1 | C1 | N3 | 123.9° | 124.4° |
N2 | C1 | N3 | 109.1° | 111.3° |
C1 | N2 | CA2 | 108.7° | 109.3° |
C1 | N3 | C2 | 110.5° | 108.4° |
C1 | N3 | CA3 | 129.3° | 125.8° |
N2 | CA2 | C2 | 109.4° | 105.7° |
N2 | CA2 | CB2 | 129.6° | 127.2° |
C2 | N3 | CA3 | 120.2° | 125.8° |
N3 | C2 | CA2 | 102.3° | 105.2° |
N3 | C2 | O2 | 122.6° | 127.3° |
N3 | CA3 | HA31 | 105.8° | 109.5° |
N3 | CA3 | HA32 | 103.0° | 109.5° |
N3 | CA3 | C3 | 121.1° | 109.5° |
CA2 | C2 | O2 | 135.1° | 127.4° |
C2 | CA2 | CB2 | 121.0° | 127.1° |
CA2 | CB2 | HB2 | 113.8° | 120.0° |
CA2 | CB2 | CG2 | 132.3° | 120.0° |
HA31 | CA3 | HA32 | 119.1° | 109.5° |
HA31 | CA3 | C3 | 105.7° | 109.5° |
HA32 | CA3 | C3 | 103.0° | 109.4° |
CA3 | C3 | O3 | 120.0° | 120.0° |
CA3 | C3 | OXT | 116.9° | 120.0° |
HB2 | CB2 | CG2 | 113.9° | 120.0° |
CB2 | CG2 | CD2 | 119.6° | 120.1° |
CB2 | CG2 | CD1 | 122.1° | 120.2° |
CD2 | CG2 | CD1 | 118.2° | 119.7° |
CG2 | CD2 | H1 | 119.7° | 120.1° |
CG2 | CD2 | CE2 | 120.5° | 119.9° |
CG2 | CD1 | CE1 | 121.1° | 119.9° |
CG2 | CD1 | HD1 | 119.5° | 120.0° |
CE1 | CD1 | HD1 | 119.5° | 120.1° |
CD1 | CE1 | CZ | 120.0° | 120.1° |
CD1 | CE1 | HE1 | 120.0° | 120.0° |
H1 | CD2 | CE2 | 119.7° | 120.0° |
CD2 | CE2 | HE2 | 119.8° | 120.0° |
CD2 | CE2 | CZ | 120.5° | 120.1° |
CZ | CE1 | HE1 | 120.0° | 119.9° |
CE1 | CZ | CE2 | 119.6° | 120.3° |
CE1 | CZ | OH | 121.5° | 119.9° |
HE2 | CE2 | CZ | 119.8° | 119.9° |
CE2 | CZ | OH | 118.9° | 119.8° |
CZ | OH | HOH | 109.5° | 114.0° |
O3 | C3 | OXT | 122.8° | 120.0° |
C3 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA1 | N1 | H | H2 | 120.0° | 124.0° |
N1 | CA1 | CB1 | CG1 | 84.1° | 65.0° |
N1 | CA1 | CB1 | HB11 | 155.9° | 174.9° |
N1 | CA1 | CB1 | HB12 | 34.4° | 55.1° |
N1 | CA1 | CB1 | HA1 | 120.1° | 120.0° |
N1 | CA1 | CB1 | C1 | 120.1° | 120.0° |
N1 | CA1 | HA1 | C1 | 119.0° | 120.0° |
N1 | CA1 | C1 | N2 | 111.4° | 35.0° |
N1 | CA1 | C1 | N3 | 68.1° | 144.7° |
H | N1 | CA1 | CB1 | 143.4° | 176.0° |
H | N1 | CA1 | HA1 | 98.1° | 56.0° |
H | N1 | CA1 | C1 | 21.7° | 64.0° |
H2 | N1 | CA1 | CB1 | 23.4° | 60.0° |
H2 | N1 | CA1 | HA1 | 141.9° | 180.0° |
H2 | N1 | CA1 | C1 | 98.2° | 60.0° |
HD2 | OD2 | CG1 | OD1 | 0.0° | 0.0° |
HD2 | OD2 | CG1 | CB1 | 179.7° | 180.0° |
OD2 | CG1 | OD1 | CB1 | 179.7° | 180.0° |
OD2 | CG1 | CB1 | HB11 | 60.6° | 59.9° |
OD2 | CG1 | CB1 | HB12 | 60.9° | 60.0° |
OD2 | CG1 | CB1 | CA1 | 179.4° | 180.0° |
OD1 | CG1 | CB1 | HB11 | 119.7° | 120.0° |
OD1 | CG1 | CB1 | HB12 | 118.8° | 120.1° |
OD1 | CG1 | CB1 | CA1 | 0.3° | 0.0° |
CG1 | CB1 | HB11 | HB12 | 118.6° | 120.0° |
CG1 | CB1 | HB11 | CA1 | 122.8° | 120.1° |
CG1 | CB1 | HB12 | CA1 | 121.9° | 120.0° |
CG1 | CB1 | CA1 | HA1 | 36.0° | 55.0° |
CG1 | CB1 | CA1 | C1 | 155.8° | 175.0° |
HB11 | CB1 | HB12 | CA1 | 119.1° | 119.9° |
HB11 | CB1 | CA1 | HA1 | 84.0° | 65.0° |
HB11 | CB1 | CA1 | C1 | 35.8° | 54.9° |
HB12 | CB1 | CA1 | HA1 | 154.5° | 175.1° |
HB12 | CB1 | CA1 | C1 | 85.7° | 65.0° |
CB1 | CA1 | HA1 | C1 | 120.6° | 120.0° |
CB1 | CA1 | C1 | N2 | 10.0° | 85.0° |
CB1 | CA1 | C1 | N3 | 170.5° | 95.2° |
HA1 | CA1 | C1 | N2 | 128.5° | 155.0° |
HA1 | CA1 | C1 | N3 | 52.0° | 24.7° |
CA1 | C1 | N2 | N3 | 179.6° | 179.7° |
CA1 | C1 | N2 | CA2 | 179.4° | 180.0° |
CA1 | C1 | N3 | C2 | 180.0° | 180.0° |
CA1 | C1 | N3 | CA3 | 1.9° | 0.0° |
N2 | C1 | N3 | C2 | 0.4° | 0.3° |
N2 | C1 | N3 | CA3 | 177.7° | 179.7° |
C1 | N2 | CA2 | C2 | 0.6° | 0.1° |
C1 | N2 | CA2 | CB2 | 178.0° | 180.0° |
N3 | C1 | N2 | CA2 | 0.1° | 0.2° |
C1 | N3 | C2 | CA3 | 178.3° | 180.0° |
C1 | N3 | C2 | CA2 | 0.7° | 0.2° |
C1 | N3 | C2 | O2 | 179.9° | 180.0° |
C1 | N3 | CA3 | HA31 | 124.5° | 150.0° |
C1 | N3 | CA3 | HA32 | 1.3° | 30.0° |
C1 | N3 | CA3 | C3 | 115.5° | 90.0° |
N2 | CA2 | C2 | N3 | 0.8° | 0.0° |
N2 | CA2 | C2 | CB2 | 178.7° | 179.9° |
N2 | CA2 | C2 | O2 | 179.8° | 179.9° |
N2 | CA2 | CB2 | HB2 | 179.4° | 174.9° |
N2 | CA2 | CB2 | CG2 | 0.6° | 5.1° |
N3 | C2 | CA2 | O2 | 179.0° | 179.8° |
N3 | C2 | CA2 | CB2 | 177.9° | 179.8° |
C2 | N3 | CA3 | HA31 | 53.4° | 30.0° |
C2 | N3 | CA3 | HA32 | 179.2° | 150.0° |
C2 | N3 | CA3 | C3 | 66.6° | 90.0° |
CA3 | N3 | C2 | CA2 | 177.6° | 179.8° |
CA3 | N3 | C2 | O2 | 1.6° | 0.0° |
N3 | CA3 | HA31 | HA32 | 115.2° | 120.0° |
N3 | CA3 | HA31 | C3 | 129.6° | 120.0° |
N3 | CA3 | HA32 | C3 | 126.7° | 120.0° |
N3 | CA3 | C3 | O3 | 154.3° | 0.0° |
N3 | CA3 | C3 | OXT | 32.4° | 180.0° |
C2 | CA2 | CB2 | HB2 | 2.1° | 4.9° |
C2 | CA2 | CB2 | CG2 | 177.9° | 175.0° |
O2 | C2 | CA2 | CB2 | 1.1° | 0.0° |
CA2 | CB2 | HB2 | CG2 | 180.0° | 180.0° |
CA2 | CB2 | CG2 | CD2 | 177.0° | 6.0° |
CA2 | CB2 | CG2 | CD1 | 2.2° | 173.7° |
HA31 | CA3 | HA32 | C3 | 116.6° | 120.0° |
HA31 | CA3 | C3 | O3 | 34.3° | 120.0° |
HA31 | CA3 | C3 | OXT | 152.4° | 59.9° |
HA32 | CA3 | C3 | O3 | 91.5° | 120.0° |
HA32 | CA3 | C3 | OXT | 81.8° | 60.0° |
CA3 | C3 | O3 | OXT | 172.9° | 179.9° |
CA3 | C3 | OXT | HXT | 173.1° | 180.0° |
HB2 | CB2 | CG2 | CD2 | 3.0° | 174.0° |
HB2 | CB2 | CG2 | CD1 | 177.8° | 6.3° |
CB2 | CG2 | CD2 | CD1 | 179.3° | 179.7° |
CB2 | CG2 | CD1 | CE1 | 179.0° | 180.0° |
CB2 | CG2 | CD1 | HD1 | 1.0° | 0.1° |
CB2 | CG2 | CD2 | H1 | 1.2° | 0.0° |
CB2 | CG2 | CD2 | CE2 | 178.8° | 180.0° |
CD2 | CG2 | CD1 | CE1 | 0.3° | 0.4° |
CD2 | CG2 | CD1 | HD1 | 179.7° | 179.8° |
CG2 | CD2 | H1 | CE2 | 180.0° | 180.0° |
CG2 | CD2 | CE2 | HE2 | 179.8° | 180.0° |
CG2 | CD2 | CE2 | CZ | 0.2° | 0.0° |
CG2 | CD1 | CE1 | HD1 | 180.0° | 179.9° |
CD1 | CG2 | CD2 | H1 | 179.5° | 179.7° |
CD1 | CG2 | CD2 | CE2 | 0.5° | 0.3° |
CG2 | CD1 | CE1 | CZ | 0.2° | 0.1° |
CG2 | CD1 | CE1 | HE1 | 179.8° | 180.0° |
CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
CD1 | CE1 | CZ | CE2 | 0.5° | 0.2° |
CD1 | CE1 | CZ | OH | 179.6° | 180.0° |
HD1 | CD1 | CE1 | CZ | 179.8° | 179.9° |
HD1 | CD1 | CE1 | HE1 | 0.2° | 0.1° |
H1 | CD2 | CE2 | HE2 | 0.2° | 0.0° |
H1 | CD2 | CE2 | CZ | 179.8° | 180.0° |
CD2 | CE2 | CZ | CE1 | 0.3° | 0.3° |
CD2 | CE2 | HE2 | CZ | 180.0° | 180.0° |
CD2 | CE2 | CZ | OH | 179.8° | 180.0° |
CE1 | CZ | CE2 | HE2 | 179.7° | 179.7° |
CE1 | CZ | CE2 | OH | 179.9° | 179.7° |
CE1 | CZ | OH | HOH | 28.6° | 90.0° |
HE1 | CE1 | CZ | CE2 | 179.5° | 179.7° |
HE1 | CE1 | CZ | OH | 0.4° | 0.0° |
HE2 | CE2 | CZ | OH | 0.2° | 0.0° |
CE2 | CZ | OH | HOH | 151.5° | 89.8° |
O3 | C3 | OXT | HXT | 0.0° | 0.1° |