SD0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.57Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CD1 | CG | doub | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | B1 | sing | 1.56Å | 1.65Å | |
| C4 | O2 | sing | 1.43Å | 1.46Å | |
| C4 | C2 | sing | 1.53Å | 1.52Å | |
| O2 | B1 | sing | 1.37Å | 1.47Å | |
| B1 | O5 | sing | 1.37Å | 1.43Å | |
| B1 | O1 | sing | 1.37Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | N2 | sing | 1.47Å | 1.50Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| N2 | H21 | sing | 1.01Å | 1.00Å | |
| N2 | H23 | sing | 1.01Å | 1.00Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O5 | H4 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 105.5° | 109.4° |
| N | CA | CB | 117.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.9° | 109.5° |
| O | C | CA | 121.4° | 120.0° |
| O | C | OXT | 121.9° | 120.0° |
| C | CA | CB | 108.4° | 109.5° |
| C | CA | HA | 107.8° | 109.5° |
| CA | C | OXT | 116.7° | 120.0° |
| CA | CB | CG | 108.8° | 109.5° |
| CB | CA | HA | 108.2° | 109.5° |
| CA | CB | HB2 | 109.6° | 109.5° |
| CA | CB | HB1 | 109.6° | 109.5° |
| CB | CG | CD1 | 121.4° | 120.0° |
| CB | CG | CD2 | 120.6° | 120.0° |
| CG | CB | HB2 | 109.7° | 109.5° |
| CG | CB | HB1 | 109.7° | 109.5° |
| CG | CD1 | CE1 | 121.0° | 120.0° |
| CD1 | CG | CD2 | 117.8° | 119.9° |
| CG | CD1 | HD1 | 119.5° | 120.0° |
| CD1 | CE1 | CZ | 121.1° | 120.0° |
| CE1 | CD1 | HD1 | 119.5° | 120.0° |
| CD1 | CE1 | HE1 | 119.4° | 120.0° |
| CG | CD2 | CE2 | 121.2° | 120.1° |
| CG | CD2 | HD2 | 119.4° | 120.0° |
| CE1 | CZ | CE2 | 117.6° | 120.0° |
| CE1 | CZ | B1 | 119.7° | 120.0° |
| CZ | CE1 | HE1 | 119.4° | 120.0° |
| CD2 | CE2 | CZ | 121.1° | 120.0° |
| CE2 | CD2 | HD2 | 119.4° | 120.0° |
| CD2 | CE2 | HE2 | 119.4° | 120.0° |
| CE2 | CZ | B1 | 122.6° | 120.0° |
| CZ | CE2 | HE2 | 119.5° | 120.0° |
| CZ | B1 | O2 | 104.7° | 109.4° |
| CZ | B1 | O5 | 112.3° | 109.4° |
| CZ | B1 | O1 | 111.1° | 109.4° |
| O2 | C4 | C2 | 110.7° | 108.6° |
| C4 | O2 | B1 | 120.0° | 113.9° |
| O2 | C4 | H41 | 109.1° | 109.6° |
| O2 | C4 | H42 | 109.1° | 109.6° |
| C4 | C2 | C3 | 110.3° | 109.7° |
| C4 | C2 | C1 | 106.7° | 108.4° |
| C4 | C2 | N2 | 108.5° | 109.7° |
| C2 | C4 | H41 | 109.2° | 109.6° |
| C2 | C4 | H42 | 109.2° | 109.7° |
| O2 | B1 | O5 | 109.5° | 109.4° |
| O2 | B1 | O1 | 106.7° | 109.9° |
| O5 | B1 | O1 | 112.0° | 109.4° |
| B1 | O5 | H4 | 109.5° | 114.0° |
| B1 | O1 | C1 | 121.5° | 113.9° |
| C2 | C3 | O3 | 113.8° | 109.5° |
| C3 | C2 | C1 | 110.3° | 109.7° |
| C3 | C2 | N2 | 110.1° | 109.7° |
| C2 | C3 | H31 | 108.4° | 109.5° |
| C2 | C3 | H32 | 108.3° | 109.5° |
| O3 | C3 | H31 | 108.4° | 109.4° |
| O3 | C3 | H32 | 108.4° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C1 | C2 | N2 | 110.9° | 109.7° |
| C2 | C1 | O1 | 111.3° | 108.6° |
| C2 | C1 | H11 | 109.0° | 109.6° |
| C2 | C1 | H12 | 109.0° | 109.8° |
| C2 | N2 | H21 | 109.5° | 111.0° |
| C2 | N2 | H23 | 109.5° | 111.0° |
| O1 | C1 | H11 | 109.0° | 109.6° |
| O1 | C1 | H12 | 109.0° | 109.6° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB1 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.6° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| H41 | C4 | H42 | 109.5° | 109.8° |
| H21 | N2 | H23 | 109.4° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | O | 137.4° | 20.0° |
| N | CA | C | CB | 126.8° | 120.0° |
| N | CA | C | HA | 116.3° | 120.0° |
| N | CA | CB | HA | 123.8° | 120.0° |
| N | CA | CB | CG | 177.5° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 57.6° | 55.0° |
| N | CA | CB | HB1 | 62.7° | 175.0° |
| N | CA | C | OXT | 42.5° | 160.0° |
| O | C | CA | OXT | 179.9° | 179.9° |
| O | C | CA | CB | 95.8° | 100.0° |
| O | C | CA | HA | 21.2° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | CB | HA | 116.7° | 120.0° |
| C | CA | CB | CG | 63.1° | 175.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | HB2 | 177.0° | 65.0° |
| C | CA | CB | HB1 | 56.8° | 55.0° |
| CA | C | OXT | HXT | 179.9° | 180.0° |
| CA | CB | CG | HB2 | 119.9° | 120.0° |
| CA | CB | CG | HB1 | 119.9° | 120.0° |
| CA | CB | CG | CD1 | 91.5° | 89.7° |
| CA | CB | CG | CD2 | 82.3° | 90.0° |
| CB | CA | N | H | 59.0° | 176.0° |
| CB | CA | N | H2 | 179.1° | 60.0° |
| CA | CB | HB2 | HB1 | 120.3° | 120.0° |
| CB | CA | C | OXT | 84.3° | 80.0° |
| CB | CG | CD1 | CD2 | 174.0° | 179.7° |
| CB | CG | CD1 | CE1 | 177.1° | 180.0° |
| CB | CG | CD2 | CE2 | 176.4° | 180.0° |
| CG | CB | CA | HA | 53.6° | 55.0° |
| CG | CB | HB2 | HB1 | 120.3° | 120.0° |
| CB | CG | CD1 | HD1 | 2.9° | 0.0° |
| CB | CG | CD2 | HD2 | 3.6° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 1.6° | 0.1° |
| CD1 | CG | CD2 | CE2 | 2.4° | 0.3° |
| CD1 | CG | CB | HB2 | 148.6° | 150.3° |
| CD1 | CG | CB | HB1 | 28.4° | 30.3° |
| CD1 | CG | CD2 | HD2 | 177.7° | 179.7° |
| CG | CD1 | CE1 | HE1 | 178.4° | 180.0° |
| CE1 | CD1 | CG | CD2 | 3.1° | 0.3° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.7° | 0.2° |
| CD1 | CE1 | CZ | B1 | 178.3° | 180.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CD2 | CG | CB | HB2 | 37.6° | 30.0° |
| CD2 | CG | CB | HB1 | 157.8° | 150.0° |
| CD2 | CG | CD1 | HD1 | 176.9° | 179.7° |
| CG | CD2 | CE2 | HE2 | 179.9° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 1.5° | 0.2° |
| CE1 | CZ | CE2 | B1 | 177.5° | 179.8° |
| CE1 | CZ | B1 | O2 | 54.2° | 29.8° |
| CE1 | CZ | B1 | O5 | 64.6° | 90.0° |
| CE1 | CZ | B1 | O1 | 169.0° | 150.2° |
| CZ | CE1 | CD1 | HD1 | 178.4° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 178.5° | 179.7° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | B1 | 178.9° | 180.0° |
| CE2 | CZ | B1 | O2 | 123.2° | 150.0° |
| CE2 | CZ | B1 | O5 | 118.0° | 90.2° |
| CE2 | CZ | B1 | O1 | 8.4° | 29.6° |
| CZ | CE2 | CD2 | HD2 | 179.9° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.3° | 179.8° |
| CZ | B1 | O2 | C4 | 75.8° | 177.6° |
| CZ | B1 | O2 | O5 | 120.7° | 119.8° |
| CZ | B1 | O2 | O1 | 117.9° | 120.1° |
| CZ | B1 | O5 | O1 | 125.9° | 119.8° |
| CZ | B1 | O1 | C1 | 73.3° | 177.7° |
| B1 | CZ | CE1 | HE1 | 1.7° | 0.0° |
| B1 | CZ | CE2 | HE2 | 1.1° | 0.1° |
| CZ | B1 | O5 | H4 | 180.0° | 180.0° |
| O2 | C4 | C2 | H41 | 120.2° | 119.7° |
| O2 | C4 | C2 | H42 | 120.2° | 119.7° |
| C4 | O2 | B1 | O5 | 163.5° | 57.9° |
| C4 | O2 | B1 | O1 | 42.1° | 62.3° |
| O2 | C4 | C2 | C3 | 176.7° | 68.4° |
| O2 | C4 | C2 | C1 | 56.9° | 51.3° |
| O2 | C4 | C2 | N2 | 62.6° | 171.1° |
| O2 | C4 | H41 | H42 | 119.4° | 120.4° |
| C2 | C4 | O2 | B1 | 54.8° | 58.0° |
| C4 | C2 | C3 | C1 | 117.6° | 119.0° |
| C4 | C2 | C3 | N2 | 119.7° | 120.5° |
| C4 | C2 | C3 | O3 | 176.5° | 61.1° |
| C4 | C2 | C1 | N2 | 118.0° | 119.7° |
| C4 | C2 | C1 | O1 | 54.9° | 51.3° |
| C4 | C2 | C1 | H11 | 175.1° | 68.4° |
| C4 | C2 | C1 | H12 | 65.4° | 171.2° |
| C4 | C2 | C3 | H31 | 55.8° | 59.0° |
| C4 | C2 | C3 | H32 | 62.9° | 178.9° |
| C2 | C4 | H41 | H42 | 119.4° | 120.5° |
| C4 | C2 | N2 | H21 | 180.0° | 61.0° |
| C4 | C2 | N2 | H23 | 60.0° | 175.0° |
| O2 | B1 | O5 | O1 | 118.2° | 120.4° |
| O2 | B1 | O1 | C1 | 40.3° | 62.3° |
| B1 | O2 | C4 | H41 | 174.9° | 177.7° |
| B1 | O2 | C4 | H42 | 65.4° | 61.8° |
| O2 | B1 | O5 | H4 | 64.0° | 60.2° |
| O5 | B1 | O1 | C1 | 160.2° | 57.9° |
| B1 | O1 | C1 | C2 | 50.8° | 58.0° |
| B1 | O1 | C1 | H11 | 171.0° | 61.8° |
| B1 | O1 | C1 | H12 | 69.5° | 177.9° |
| O1 | B1 | O5 | H4 | 54.2° | 60.2° |
| C2 | C3 | O3 | H31 | 120.7° | 120.1° |
| C2 | C3 | O3 | H32 | 120.6° | 120.0° |
| C3 | C2 | C1 | N2 | 122.2° | 120.5° |
| C3 | C2 | C1 | O1 | 174.7° | 68.4° |
| C3 | C2 | C1 | H11 | 65.1° | 171.9° |
| C3 | C2 | C1 | H12 | 54.4° | 51.4° |
| C2 | C3 | H31 | H32 | 118.0° | 120.0° |
| C3 | C2 | C4 | H41 | 63.1° | 51.3° |
| C3 | C2 | C4 | H42 | 56.5° | 171.8° |
| C3 | C2 | N2 | H21 | 59.2° | 59.5° |
| C3 | C2 | N2 | H23 | 179.2° | 64.5° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| O3 | C3 | C2 | C1 | 65.9° | 180.0° |
| O3 | C3 | C2 | N2 | 56.7° | 59.4° |
| O3 | C3 | H31 | H32 | 118.0° | 119.9° |
| C2 | C1 | O1 | H11 | 120.3° | 119.7° |
| C2 | C1 | O1 | H12 | 120.3° | 119.9° |
| C2 | C1 | H11 | H12 | 119.2° | 120.5° |
| C1 | C2 | C3 | H31 | 173.4° | 60.0° |
| C1 | C2 | C3 | H32 | 54.7° | 60.0° |
| C1 | C2 | C4 | H41 | 177.0° | 171.1° |
| C1 | C2 | C4 | H42 | 63.3° | 68.4° |
| C1 | C2 | N2 | H21 | 63.2° | 180.0° |
| C1 | C2 | N2 | H23 | 56.8° | 56.0° |
| N2 | C2 | C1 | O1 | 63.1° | 171.1° |
| N2 | C2 | C1 | H11 | 57.1° | 51.4° |
| N2 | C2 | C1 | H12 | 176.6° | 69.1° |
| N2 | C2 | C3 | H31 | 63.9° | 179.5° |
| N2 | C2 | C3 | H32 | 177.4° | 60.6° |
| N2 | C2 | C4 | H41 | 57.5° | 69.2° |
| N2 | C2 | C4 | H42 | 177.2° | 51.3° |
| C2 | N2 | H21 | H23 | 120.0° | 124.0° |
| O1 | C1 | H11 | H12 | 119.2° | 120.4° |
| H | N | CA | HA | 64.5° | 56.0° |
| H2 | N | CA | HA | 55.6° | 180.0° |
| HA | CA | CB | HB2 | 66.3° | 175.0° |
| HA | CA | CB | HB1 | 173.5° | 65.0° |
| HA | CA | C | OXT | 158.7° | 40.0° |
| HD1 | CD1 | CE1 | HE1 | 1.6° | 0.0° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.0° |
| H31 | C3 | O3 | HO3 | 59.3° | 60.0° |
| H32 | C3 | O3 | HO3 | 59.4° | 59.9° |
