0QI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C2 | CH | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| CH | S | sing | 1.81Å | 1.82Å | |
| CH | HH1 | sing | 1.09Å | 1.10Å | |
| CH | HH2 | sing | 1.09Å | 1.10Å | |
| S | HS | sing | 1.35Å | 1.30Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | CM | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.46Å | 1.45Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.38Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C6 | HC1 | sing | 1.09Å | 1.10Å | |
| C6 | HC2 | sing | 1.09Å | 1.10Å | |
| C6 | HC3 | sing | 1.09Å | 1.10Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| OH | C6 | sing | 1.43Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.1° | 120.1° |
| O1 | C1 | N | 123.0° | 120.0° |
| C1 | C2 | CH | 112.1° | 109.5° |
| C1 | C2 | C3 | 109.6° | 109.4° |
| C1 | C2 | H2 | 107.3° | 109.5° |
| C2 | C1 | N | 114.8° | 120.0° |
| CH | C2 | C3 | 108.4° | 109.5° |
| CH | C2 | H2 | 108.5° | 109.5° |
| C2 | CH | S | 115.2° | 109.5° |
| C2 | CH | HH1 | 107.6° | 109.5° |
| C2 | CH | HH2 | 107.6° | 109.5° |
| C3 | C2 | H2 | 111.0° | 109.5° |
| C2 | C3 | C4 | 118.1° | 109.5° |
| C2 | C3 | H31 | 106.7° | 109.5° |
| C2 | C3 | H32 | 106.7° | 109.5° |
| S | CH | HH1 | 107.6° | 109.5° |
| S | CH | HH2 | 107.6° | 109.5° |
| CH | S | HS | 102.0° | 103.0° |
| HH1 | CH | HH2 | 111.2° | 109.4° |
| C4 | C3 | H31 | 106.7° | 109.5° |
| C4 | C3 | H32 | 106.7° | 109.5° |
| C3 | C4 | CM | 109.8° | 109.5° |
| C3 | C4 | C5 | 111.2° | 109.5° |
| C3 | C4 | H4 | 108.5° | 109.4° |
| H31 | C3 | H32 | 112.1° | 109.5° |
| CM | C4 | C5 | 110.8° | 109.5° |
| CM | C4 | H4 | 108.9° | 109.5° |
| C4 | CM | HM1 | 109.5° | 109.5° |
| C4 | CM | HM2 | 109.5° | 109.5° |
| C4 | CM | HM3 | 109.5° | 109.5° |
| C5 | C4 | H4 | 107.5° | 109.4° |
| C4 | C5 | H51 | 109.5° | 109.4° |
| C4 | C5 | H52 | 109.5° | 109.5° |
| C4 | C5 | H53 | 109.5° | 109.4° |
| HM1 | CM | HM2 | 109.5° | 109.4° |
| HM1 | CM | HM3 | 109.5° | 109.5° |
| HM2 | CM | HM3 | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H51 | C5 | H53 | 109.5° | 109.5° |
| H52 | C5 | H53 | 109.5° | 109.5° |
| CA | N | H | 118.5° | 120.0° |
| N | CA | C | 109.9° | 109.4° |
| N | CA | CB | 110.2° | 109.5° |
| N | CA | HA | 109.9° | 109.5° |
| CA | N | C1 | 123.1° | 120.0° |
| H | N | C1 | 118.5° | 120.0° |
| C | CA | CB | 112.8° | 109.4° |
| C | CA | HA | 107.2° | 109.5° |
| CA | C | O | 120.5° | 120.0° |
| CA | C | OXT | 117.4° | 120.0° |
| CB | CA | HA | 106.8° | 109.5° |
| CA | CB | CG | 116.5° | 109.4° |
| CA | CB | HB2 | 107.2° | 109.5° |
| CA | CB | HB3 | 107.2° | 109.4° |
| O | C | OXT | 122.0° | 120.0° |
| C | OXT | HXT | 109.5° | 116.9° |
| CG | CB | HB2 | 107.2° | 109.5° |
| CG | CB | HB3 | 107.2° | 109.5° |
| CB | CG | CD1 | 121.3° | 119.9° |
| CB | CG | CD2 | 120.6° | 119.9° |
| HB2 | CB | HB3 | 111.7° | 109.5° |
| CD1 | CG | CD2 | 118.1° | 120.1° |
| CG | CD1 | CE1 | 121.2° | 120.1° |
| CG | CD1 | HD1 | 119.4° | 120.0° |
| CG | CD2 | CE2 | 121.2° | 120.0° |
| CG | CD2 | HD2 | 119.4° | 120.0° |
| CE1 | CD1 | HD1 | 119.4° | 120.0° |
| CD1 | CE1 | CZ | 119.7° | 119.9° |
| CD1 | CE1 | HE1 | 120.2° | 120.0° |
| CE2 | CD2 | HD2 | 119.4° | 120.0° |
| CD2 | CE2 | CZ | 119.5° | 120.0° |
| CD2 | CE2 | HE2 | 120.3° | 120.0° |
| CZ | CE1 | HE1 | 120.1° | 120.1° |
| CE1 | CZ | CE2 | 120.3° | 119.9° |
| CE1 | CZ | OH | 118.5° | 120.0° |
| CZ | CE2 | HE2 | 120.3° | 120.0° |
| CE2 | CZ | OH | 121.2° | 120.1° |
| CZ | OH | C6 | 134.0° | 117.0° |
| HC1 | C6 | HC2 | 109.4° | 109.4° |
| HC1 | C6 | HC3 | 109.5° | 109.5° |
| HC1 | C6 | OH | 109.5° | 109.5° |
| HC2 | C6 | HC3 | 109.5° | 109.4° |
| HC2 | C6 | OH | 109.5° | 109.5° |
| HC3 | C6 | OH | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N | 177.1° | 179.7° |
| O1 | C1 | C2 | CH | 40.3° | 120.0° |
| O1 | C1 | C2 | C3 | 80.2° | 0.0° |
| O1 | C1 | C2 | H2 | 159.2° | 120.0° |
| O1 | C1 | N | CA | 1.7° | 0.1° |
| O1 | C1 | N | H | 178.3° | 180.0° |
| C1 | C2 | CH | C3 | 121.1° | 120.0° |
| C1 | C2 | CH | H2 | 118.3° | 120.0° |
| C1 | C2 | C3 | H2 | 118.3° | 120.0° |
| C1 | C2 | CH | S | 76.7° | 161.4° |
| C1 | C2 | CH | HH1 | 43.3° | 41.4° |
| C1 | C2 | CH | HH2 | 163.3° | 78.5° |
| C1 | C2 | C3 | C4 | 44.2° | 174.2° |
| C1 | C2 | C3 | H31 | 164.2° | 65.8° |
| C1 | C2 | C3 | H32 | 75.8° | 54.2° |
| C2 | C1 | N | CA | 178.8° | 179.8° |
| C2 | C1 | N | H | 1.2° | 0.4° |
| CH | C2 | C3 | H2 | 119.0° | 120.0° |
| C2 | CH | S | HH1 | 120.0° | 120.0° |
| C2 | CH | S | HH2 | 120.0° | 120.1° |
| C2 | CH | HH1 | HH2 | 117.7° | 120.0° |
| C2 | CH | S | HS | 180.0° | 179.9° |
| CH | C2 | C3 | C4 | 166.8° | 65.8° |
| CH | C2 | C3 | H31 | 73.2° | 54.2° |
| CH | C2 | C3 | H32 | 46.8° | 174.2° |
| CH | C2 | C1 | N | 142.6° | 60.3° |
| C3 | C2 | CH | S | 162.2° | 78.7° |
| C3 | C2 | CH | HH1 | 77.8° | 161.4° |
| C3 | C2 | CH | HH2 | 42.2° | 41.4° |
| C2 | C3 | C4 | H31 | 120.0° | 120.0° |
| C2 | C3 | C4 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 116.4° | 120.0° |
| C2 | C3 | C4 | CM | 171.9° | 176.9° |
| C2 | C3 | C4 | C5 | 65.1° | 63.1° |
| C2 | C3 | C4 | H4 | 52.9° | 56.9° |
| C3 | C2 | C1 | N | 96.9° | 179.7° |
| H2 | C2 | CH | S | 41.6° | 41.4° |
| H2 | C2 | CH | HH1 | 161.6° | 78.6° |
| H2 | C2 | CH | HH2 | 78.4° | 161.4° |
| H2 | C2 | C3 | C4 | 74.1° | 54.2° |
| H2 | C2 | C3 | H31 | 45.9° | 174.2° |
| H2 | C2 | C3 | H32 | 165.8° | 65.8° |
| H2 | C2 | C1 | N | 23.7° | 59.7° |
| S | CH | HH1 | HH2 | 117.7° | 120.0° |
| HH1 | CH | S | HS | 60.0° | 59.9° |
| HH2 | CH | S | HS | 60.0° | 60.0° |
| C4 | C3 | H31 | H32 | 116.5° | 120.0° |
| C3 | C4 | CM | C5 | 123.3° | 120.0° |
| C3 | C4 | CM | H4 | 118.7° | 120.0° |
| C3 | C4 | C5 | H4 | 118.6° | 120.0° |
| C3 | C4 | CM | HM1 | 180.0° | 60.1° |
| C3 | C4 | CM | HM2 | 60.0° | 180.0° |
| C3 | C4 | CM | HM3 | 60.0° | 60.0° |
| C3 | C4 | C5 | H51 | 180.0° | 60.0° |
| C3 | C4 | C5 | H52 | 60.0° | 59.9° |
| C3 | C4 | C5 | H53 | 60.0° | 180.0° |
| H31 | C3 | C4 | CM | 68.1° | 56.9° |
| H31 | C3 | C4 | C5 | 54.9° | 176.9° |
| H31 | C3 | C4 | H4 | 172.9° | 63.1° |
| H32 | C3 | C4 | CM | 51.9° | 63.1° |
| H32 | C3 | C4 | C5 | 174.9° | 56.9° |
| H32 | C3 | C4 | H4 | 67.1° | 176.9° |
| CM | C4 | C5 | H4 | 118.9° | 120.0° |
| C4 | CM | HM1 | HM2 | 120.0° | 120.0° |
| C4 | CM | HM1 | HM3 | 120.0° | 120.1° |
| C4 | CM | HM2 | HM3 | 120.0° | 120.0° |
| CM | C4 | C5 | H51 | 57.5° | 60.0° |
| CM | C4 | C5 | H52 | 177.5° | 180.0° |
| CM | C4 | C5 | H53 | 62.5° | 60.0° |
| C5 | C4 | CM | HM1 | 56.7° | 60.0° |
| C5 | C4 | CM | HM2 | 63.3° | 60.0° |
| C5 | C4 | CM | HM3 | 176.7° | 179.9° |
| C4 | C5 | H51 | H52 | 120.0° | 119.9° |
| C4 | C5 | H51 | H53 | 120.0° | 120.0° |
| C4 | C5 | H52 | H53 | 120.0° | 120.0° |
| H4 | C4 | CM | HM1 | 61.3° | 180.0° |
| H4 | C4 | CM | HM2 | 178.7° | 60.0° |
| H4 | C4 | CM | HM3 | 58.7° | 60.0° |
| H4 | C4 | C5 | H51 | 61.4° | 180.0° |
| H4 | C4 | C5 | H52 | 58.6° | 60.0° |
| H4 | C4 | C5 | H53 | 178.6° | 60.1° |
| HM1 | CM | HM2 | HM3 | 120.0° | 120.0° |
| H51 | C5 | H52 | H53 | 120.0° | 120.1° |
| CA | N | H | C1 | 180.0° | 179.9° |
| N | CA | C | CB | 123.4° | 120.0° |
| N | CA | C | HA | 119.4° | 120.0° |
| N | CA | CB | HA | 119.4° | 120.1° |
| N | CA | C | O | 158.5° | 0.1° |
| N | CA | C | OXT | 16.9° | 180.0° |
| N | CA | CB | CG | 51.9° | 65.1° |
| N | CA | CB | HB2 | 171.9° | 54.9° |
| N | CA | CB | HB3 | 68.1° | 175.0° |
| H | N | CA | C | 7.1° | 95.0° |
| H | N | CA | CB | 117.8° | 24.9° |
| H | N | CA | HA | 124.8° | 145.0° |
| C | CA | CB | HA | 117.5° | 120.0° |
| CA | C | O | OXT | 175.2° | 180.0° |
| C | CA | CB | CG | 71.3° | 175.0° |
| C | CA | CB | HB2 | 48.7° | 65.0° |
| C | CA | CB | HB3 | 168.7° | 55.1° |
| CA | C | OXT | HXT | 175.3° | 180.0° |
| C | CA | N | C1 | 172.9° | 85.1° |
| CB | CA | C | O | 78.1° | 120.0° |
| CB | CA | C | OXT | 106.5° | 60.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 119.9° |
| CA | CB | HB2 | HB3 | 117.1° | 120.0° |
| CA | CB | CG | CD1 | 2.5° | 90.0° |
| CA | CB | CG | CD2 | 175.9° | 90.2° |
| CB | CA | N | C1 | 62.2° | 155.0° |
| HA | CA | C | O | 39.1° | 120.0° |
| HA | CA | C | OXT | 136.3° | 60.0° |
| HA | CA | CB | CG | 171.2° | 55.0° |
| HA | CA | CB | HB2 | 68.8° | 175.0° |
| HA | CA | CB | HB3 | 51.2° | 64.9° |
| HA | CA | N | C1 | 55.2° | 34.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CG | CB | HB2 | HB3 | 117.1° | 120.0° |
| CB | CG | CD1 | CD2 | 178.4° | 179.7° |
| CB | CG | CD1 | CE1 | 178.1° | 180.0° |
| CB | CG | CD1 | HD1 | 1.9° | 0.0° |
| CB | CG | CD2 | CE2 | 178.0° | 180.0° |
| CB | CG | CD2 | HD2 | 2.0° | 0.0° |
| HB2 | CB | CG | CD1 | 122.5° | 30.0° |
| HB2 | CB | CG | CD2 | 55.9° | 149.7° |
| HB3 | CB | CG | CD1 | 117.5° | 150.0° |
| HB3 | CB | CG | CD2 | 64.1° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.4° | 0.2° |
| CD1 | CG | CD2 | HD2 | 179.6° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.8° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.7° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.4° | 0.1° |
| CG | CD2 | CE2 | HE2 | 179.6° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.3° |
| CD1 | CE1 | CZ | OH | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.2° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | OH | 179.8° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 179.6° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.4° | 0.0° |
| CE1 | CZ | CE2 | OH | 180.0° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 179.8° | 179.7° |
| CE1 | CZ | OH | C6 | 66.2° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 179.7° |
| HE1 | CE1 | CZ | OH | 0.2° | 0.0° |
| CE2 | CZ | OH | C6 | 113.8° | 0.3° |
| HE2 | CE2 | CZ | OH | 0.2° | 0.0° |
| CZ | OH | C6 | HC1 | 180.0° | 60.0° |
| CZ | OH | C6 | HC2 | 60.0° | 60.0° |
| CZ | OH | C6 | HC3 | 60.0° | 180.0° |
| HC1 | C6 | HC2 | HC3 | 120.0° | 119.9° |
| HC1 | C6 | HC2 | OH | 120.0° | 120.1° |
| HC1 | C6 | HC3 | OH | 120.0° | 120.0° |
| HC2 | C6 | HC3 | OH | 120.0° | 120.0° |
