EYG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C3 | doub | 1.21Å | 1.23Å | |
CA1 | N1 | sing | 1.47Å | 1.24Å | |
N1 | H | sing | 1.01Å | 1.00Å | |
C2 | CA2 | sing | 1.47Å | 1.43Å | |
C2 | N3 | sing | 1.35Å | 1.35Å | |
O2 | C2 | doub | 1.22Å | 1.26Å | |
N3 | C1 | sing | 1.47Å | 1.52Å | |
CB | CG | sing | 1.53Å | 1.55Å | |
SD | CE | sing | 1.81Å | 1.70Å | |
CG | SD | sing | 1.81Å | 1.76Å | |
CZ | OH | sing | 1.36Å | 1.35Å | |
CZ | CE1 | sing | 1.39Å | 1.38Å | Aromatic |
C1 | O13 | sing | 1.43Å | 1.42Å | |
C1 | CA1 | sing | 1.53Å | 1.53Å | |
N2 | C1 | sing | 1.47Å | 1.47Å | |
CA1 | CB | sing | 1.53Å | 1.50Å | |
CA3 | C3 | sing | 1.51Å | 1.47Å | |
CA3 | N3 | sing | 1.47Å | 1.46Å | |
CA2 | N2 | sing | 1.40Å | 1.35Å | |
CB2 | CA2 | doub | 1.35Å | 1.37Å | |
CB2 | CG2 | sing | 1.47Å | 1.45Å | |
CD1 | CE1 | doub | 1.38Å | 1.36Å | Aromatic |
CD2 | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
CD2 | CG2 | doub | 1.40Å | 1.38Å | Aromatic |
CE2 | CZ | doub | 1.39Å | 1.41Å | Aromatic |
CG2 | CD1 | sing | 1.40Å | 1.44Å | Aromatic |
C3 | OXT | sing | 1.34Å | 1.43Å | |
N1 | H2 | sing | 1.01Å | 1.00Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
CB | HBA | sing | 1.09Å | 1.10Å | |
CE | HE | sing | 1.09Å | 1.10Å | |
CE | HEA | sing | 1.09Å | 1.10Å | |
CE | HEB | sing | 1.09Å | 1.10Å | |
CG | HG | sing | 1.09Å | 1.10Å | |
CG | HGA | sing | 1.09Å | 1.10Å | |
OH | HOH | sing | 0.97Å | 0.95Å | |
O13 | HO13 | sing | 0.97Å | 0.95Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
CA3 | HA31 | sing | 1.09Å | 1.10Å | |
CA3 | HA32 | sing | 1.09Å | 1.10Å | |
CB2 | HB2 | sing | 1.08Å | 1.08Å | |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C3 | CA3 | 121.9° | 120.0° |
O3 | C3 | OXT | 112.3° | 120.0° |
CA1 | N1 | H | 109.5° | 111.0° |
N1 | CA1 | C1 | 111.7° | 109.5° |
N1 | CA1 | CB | 120.6° | 109.5° |
CA1 | N1 | H2 | 109.4° | 111.0° |
N1 | CA1 | HA1 | 139.3° | 109.5° |
H | N1 | H2 | 109.5° | 111.0° |
CA2 | C2 | N3 | 107.9° | 109.5° |
CA2 | C2 | O2 | 129.3° | 125.2° |
C2 | CA2 | N2 | 112.4° | 108.3° |
C2 | CA2 | CB2 | 121.3° | 125.9° |
N3 | C2 | O2 | 122.8° | 125.2° |
C2 | N3 | C1 | 106.1° | 108.5° |
C2 | N3 | CA3 | 122.5° | 125.7° |
N3 | C1 | O13 | 106.9° | 110.0° |
N3 | C1 | CA1 | 114.3° | 110.0° |
N3 | C1 | N2 | 104.2° | 106.9° |
C1 | N3 | CA3 | 131.1° | 125.7° |
CB | CG | SD | 102.0° | 109.5° |
CG | CB | CA1 | 116.9° | 109.5° |
CG | CB | HB | 107.0° | 109.4° |
CG | CB | HBA | 107.1° | 109.4° |
CB | CG | HG | 112.1° | 109.4° |
CB | CG | HGA | 112.1° | 109.4° |
CE | SD | CG | 105.6° | 103.0° |
SD | CE | HE | 109.5° | 109.5° |
SD | CE | HEA | 109.5° | 109.4° |
SD | CE | HEB | 109.4° | 109.4° |
SD | CG | HG | 112.1° | 109.5° |
SD | CG | HGA | 112.1° | 109.5° |
OH | CZ | CE1 | 117.3° | 119.9° |
OH | CZ | CE2 | 122.4° | 119.9° |
CZ | OH | HOH | 109.5° | 114.0° |
CZ | CE1 | CD1 | 119.2° | 120.1° |
CE1 | CZ | CE2 | 120.3° | 120.2° |
CZ | CE1 | HE1 | 120.4° | 120.0° |
O13 | C1 | CA1 | 106.2° | 109.9° |
O13 | C1 | N2 | 113.8° | 110.0° |
C1 | O13 | HO13 | 109.5° | 114.0° |
CA1 | C1 | N2 | 111.6° | 110.0° |
C1 | CA1 | CB | 127.5° | 109.5° |
C1 | CA1 | HA1 | 97.7° | 109.4° |
C1 | N2 | CA2 | 104.5° | 106.7° |
C1 | N2 | HN2 | 111.2° | 126.7° |
CA1 | CB | HB | 107.1° | 109.5° |
CA1 | CB | HBA | 107.1° | 109.5° |
CB | CA1 | HA1 | 42.8° | 109.4° |
C3 | CA3 | N3 | 120.8° | 109.4° |
CA3 | C3 | OXT | 79.7° | 120.0° |
C3 | CA3 | HA31 | 105.8° | 109.5° |
C3 | CA3 | HA32 | 105.9° | 109.5° |
N3 | CA3 | HA31 | 105.9° | 109.5° |
N3 | CA3 | HA32 | 105.8° | 109.5° |
N2 | CA2 | CB2 | 126.2° | 125.9° |
CA2 | N2 | HN2 | 111.1° | 126.6° |
CA2 | CB2 | CG2 | 133.4° | 120.0° |
CA2 | CB2 | HB2 | 113.3° | 120.0° |
CB2 | CG2 | CD2 | 115.1° | 120.1° |
CB2 | CG2 | CD1 | 126.8° | 120.1° |
CG2 | CB2 | HB2 | 113.3° | 120.0° |
CE1 | CD1 | CG2 | 121.7° | 119.9° |
CE1 | CD1 | HD1 | 119.1° | 120.0° |
CD1 | CE1 | HE1 | 120.4° | 119.9° |
CE2 | CD2 | CG2 | 119.9° | 119.9° |
CD2 | CE2 | CZ | 120.6° | 120.2° |
CE2 | CD2 | HD2 | 120.0° | 120.1° |
CD2 | CE2 | HE2 | 119.7° | 119.9° |
CD2 | CG2 | CD1 | 118.0° | 119.8° |
CG2 | CD2 | HD2 | 120.1° | 120.0° |
CZ | CE2 | HE2 | 119.7° | 119.9° |
CG2 | CD1 | HD1 | 119.2° | 120.1° |
C3 | OXT | HXT | 109.5° | 117.0° |
HB | CB | HBA | 111.7° | 109.4° |
HE | CE | HEA | 109.4° | 109.5° |
HE | CE | HEB | 109.5° | 109.5° |
HEA | CE | HEB | 109.5° | 109.5° |
HG | CG | HGA | 106.8° | 109.5° |
HA31 | CA3 | HA32 | 112.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C3 | CA3 | OXT | 110.0° | 179.7° |
O3 | C3 | CA3 | N3 | 171.1° | 0.3° |
O3 | C3 | CA3 | HA31 | 51.1° | 119.7° |
O3 | C3 | CA3 | HA32 | 68.9° | 120.3° |
O3 | C3 | OXT | HXT | 0.0° | 0.1° |
CA1 | N1 | H | H2 | 120.0° | 124.0° |
N1 | CA1 | C1 | N3 | 8.4° | 60.0° |
N1 | CA1 | CB | CG | 77.2° | 65.0° |
N1 | CA1 | C1 | O13 | 109.2° | 61.2° |
N1 | CA1 | C1 | CB | 174.5° | 120.0° |
N1 | CA1 | C1 | HA1 | 151.4° | 120.0° |
N1 | CA1 | C1 | N2 | 126.3° | 177.5° |
N1 | CA1 | CB | HA1 | 131.2° | 120.0° |
N1 | CA1 | CB | HB | 162.8° | 55.0° |
N1 | CA1 | CB | HBA | 42.8° | 175.0° |
H | N1 | CA1 | C1 | 180.0° | 176.0° |
H | N1 | CA1 | CB | 5.0° | 63.9° |
H | N1 | CA1 | HA1 | 46.6° | 56.0° |
CA2 | C2 | N3 | O2 | 178.0° | 179.7° |
CA2 | C2 | N3 | C1 | 12.2° | 0.0° |
C2 | CA2 | N2 | C1 | 14.8° | 0.0° |
CA2 | C2 | N3 | CA3 | 172.4° | 179.9° |
C2 | CA2 | N2 | CB2 | 176.9° | 180.0° |
C2 | CA2 | CB2 | CG2 | 163.4° | 172.1° |
C2 | CA2 | N2 | HN2 | 134.8° | 180.0° |
C2 | CA2 | CB2 | HB2 | 16.6° | 7.9° |
C2 | N3 | C1 | CA3 | 174.8° | 179.9° |
C2 | N3 | C1 | O13 | 100.0° | 119.4° |
C2 | N3 | C1 | CA1 | 142.8° | 119.5° |
C2 | N3 | C1 | N2 | 20.7° | 0.0° |
C2 | N3 | CA3 | C3 | 117.7° | 90.1° |
N3 | C2 | CA2 | N2 | 1.5° | 0.0° |
N3 | C2 | CA2 | CB2 | 175.6° | 180.0° |
C2 | N3 | CA3 | HA31 | 122.4° | 29.9° |
C2 | N3 | CA3 | HA32 | 2.3° | 149.9° |
O2 | C2 | N3 | C1 | 165.7° | 179.7° |
O2 | C2 | N3 | CA3 | 9.7° | 0.4° |
O2 | C2 | CA2 | N2 | 179.3° | 179.7° |
O2 | C2 | CA2 | CB2 | 2.2° | 0.3° |
N3 | C1 | O13 | CA1 | 122.4° | 121.2° |
N3 | C1 | O13 | N2 | 114.4° | 117.5° |
N3 | C1 | CA1 | N2 | 117.9° | 117.5° |
N3 | C1 | CA1 | CB | 177.0° | 180.0° |
C1 | N3 | CA3 | C3 | 56.5° | 90.0° |
N3 | C1 | N2 | CA2 | 21.0° | 0.0° |
N3 | C1 | O13 | HO13 | 180.0° | 59.4° |
N3 | C1 | N2 | HN2 | 141.0° | 180.0° |
N3 | C1 | CA1 | HA1 | 143.0° | 60.0° |
C1 | N3 | CA3 | HA31 | 63.5° | 150.0° |
C1 | N3 | CA3 | HA32 | 176.4° | 29.9° |
CB | CG | SD | CE | 167.3° | 180.0° |
CB | CG | SD | HG | 120.0° | 119.9° |
CB | CG | SD | HGA | 120.0° | 120.0° |
CG | CB | CA1 | C1 | 96.9° | 175.0° |
CG | CB | CA1 | HB | 120.0° | 120.0° |
CG | CB | CA1 | HBA | 120.0° | 120.0° |
CG | CB | HB | HBA | 116.9° | 119.9° |
CB | CG | HG | HGA | 123.0° | 119.9° |
CG | CB | CA1 | HA1 | 151.6° | 55.0° |
SD | CE | HE | HEA | 120.0° | 120.0° |
SD | CE | HE | HEB | 120.0° | 120.0° |
SD | CE | HEA | HEB | 120.0° | 120.0° |
CE | SD | CG | HG | 72.7° | 60.1° |
CE | SD | CG | HGA | 47.3° | 60.0° |
SD | CG | CB | CA1 | 160.9° | 180.0° |
SD | CG | CB | HB | 40.9° | 60.0° |
SD | CG | CB | HBA | 79.1° | 60.0° |
CG | SD | CE | HE | 180.0° | 60.0° |
CG | SD | CE | HEA | 60.0° | 60.0° |
CG | SD | CE | HEB | 60.0° | 180.0° |
SD | CG | HG | HGA | 123.0° | 120.1° |
OH | CZ | CE1 | CE2 | 179.8° | 179.8° |
OH | CZ | CE1 | CD1 | 179.4° | 179.9° |
OH | CZ | CE2 | CD2 | 177.8° | 180.0° |
OH | CZ | CE1 | HE1 | 0.6° | 0.0° |
OH | CZ | CE2 | HE2 | 2.2° | 0.1° |
CZ | CE1 | CD1 | HE1 | 180.0° | 179.9° |
CE1 | CZ | CE2 | CD2 | 2.4° | 0.3° |
CZ | CE1 | CD1 | CG2 | 2.2° | 0.1° |
CE1 | CZ | OH | HOH | 180.0° | 90.0° |
CZ | CE1 | CD1 | HD1 | 177.8° | 180.0° |
CE1 | CZ | CE2 | HE2 | 177.7° | 179.7° |
O13 | C1 | CA1 | N2 | 124.5° | 121.3° |
O13 | C1 | CA1 | CB | 65.4° | 58.8° |
O13 | C1 | N3 | CA3 | 74.8° | 60.5° |
O13 | C1 | N2 | CA2 | 95.1° | 119.4° |
O13 | C1 | N2 | HN2 | 24.9° | 60.6° |
O13 | C1 | CA1 | HA1 | 99.4° | 178.8° |
C1 | CA1 | CB | HA1 | 54.7° | 120.0° |
CA1 | C1 | N3 | CA3 | 42.4° | 60.6° |
CA1 | C1 | N2 | CA2 | 144.8° | 119.4° |
C1 | CA1 | N1 | H2 | 60.0° | 60.0° |
C1 | CA1 | CB | HB | 23.1° | 65.1° |
C1 | CA1 | CB | HBA | 143.1° | 54.9° |
CA1 | C1 | O13 | HO13 | 57.6° | 179.4° |
CA1 | C1 | N2 | HN2 | 95.2° | 60.6° |
N2 | C1 | CA1 | CB | 59.1° | 62.5° |
N2 | C1 | N3 | CA3 | 164.5° | 179.9° |
C1 | N2 | CA2 | HN2 | 120.0° | 180.0° |
C1 | N2 | CA2 | CB2 | 162.1° | 180.0° |
N2 | C1 | O13 | HO13 | 65.5° | 58.1° |
N2 | C1 | CA1 | HA1 | 25.1° | 57.5° |
CB | CA1 | N1 | H2 | 115.0° | 60.0° |
CA1 | CB | HB | HBA | 117.0° | 120.1° |
CA1 | CB | CG | HG | 40.9° | 60.0° |
CA1 | CB | CG | HGA | 79.1° | 60.0° |
C3 | CA3 | N3 | HA31 | 120.0° | 120.0° |
C3 | CA3 | N3 | HA32 | 120.0° | 120.0° |
C3 | CA3 | HA31 | HA32 | 115.3° | 120.0° |
CA3 | C3 | OXT | HXT | 120.4° | 179.8° |
N3 | CA3 | C3 | OXT | 61.1° | 180.0° |
N3 | CA3 | HA31 | HA32 | 115.3° | 120.0° |
N2 | CA2 | CB2 | CG2 | 19.9° | 7.9° |
N2 | CA2 | CB2 | HB2 | 160.0° | 172.0° |
CA2 | CB2 | CG2 | HB2 | 180.0° | 180.0° |
CA2 | CB2 | CG2 | CD2 | 175.9° | 154.3° |
CA2 | CB2 | CG2 | CD1 | 8.1° | 25.9° |
CB2 | CA2 | N2 | HN2 | 42.1° | 0.1° |
CB2 | CG2 | CD1 | CE1 | 178.8° | 180.0° |
CB2 | CG2 | CD2 | CE2 | 176.8° | 180.0° |
CB2 | CG2 | CD2 | CD1 | 176.4° | 179.8° |
CB2 | CG2 | CD1 | HD1 | 1.2° | 0.1° |
CB2 | CG2 | CD2 | HD2 | 3.2° | 0.1° |
CE1 | CD1 | CG2 | CD2 | 5.2° | 0.2° |
CD1 | CE1 | CZ | CE2 | 0.7° | 0.3° |
CE1 | CD1 | CG2 | HD1 | 180.0° | 180.0° |
CE2 | CD2 | CG2 | HD2 | 180.0° | 180.0° |
CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
CE2 | CD2 | CG2 | CD1 | 6.7° | 0.2° |
CG2 | CD2 | CE2 | CZ | 5.5° | 0.0° |
CD2 | CG2 | CB2 | HB2 | 4.1° | 25.7° |
CD2 | CG2 | CD1 | HD1 | 174.8° | 179.8° |
CG2 | CD2 | CE2 | HE2 | 174.5° | 180.0° |
CE2 | CZ | OH | HOH | 0.2° | 90.2° |
CZ | CE2 | CD2 | HD2 | 174.5° | 180.0° |
CE2 | CZ | CE1 | HE1 | 179.2° | 179.8° |
CD1 | CG2 | CB2 | HB2 | 172.0° | 154.1° |
CD1 | CG2 | CD2 | HD2 | 173.3° | 179.7° |
CG2 | CD1 | CE1 | HE1 | 177.8° | 180.0° |
OXT | C3 | CA3 | HA31 | 58.9° | 60.0° |
OXT | C3 | CA3 | HA32 | 178.9° | 60.0° |
H2 | N1 | CA1 | HA1 | 166.6° | 180.0° |
HB | CB | CG | HG | 79.1° | 60.0° |
HB | CB | CG | HGA | 160.9° | NaN° |
HB | CB | CA1 | HA1 | 31.6° | 175.0° |
HBA | CB | CG | HG | 160.9° | 180.0° |
HBA | CB | CG | HGA | 41.0° | 60.1° |
HBA | CB | CA1 | HA1 | 88.4° | 65.0° |
HE | CE | HEA | HEB | 120.0° | 120.1° |
HD1 | CD1 | CE1 | HE1 | 2.2° | 0.1° |
HD2 | CD2 | CE2 | HE2 | 5.5° | 0.0° |