Y28
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAC | sing | 1.51Å | 1.41Å | |
| CAC | OH | sing | 1.43Å | 1.47Å | |
| OH | CZ | sing | 1.36Å | 1.40Å | |
| CZ | CE2 | sing | 1.39Å | 1.40Å | Aromatic |
| CZ | CE1 | doub | 1.39Å | 1.42Å | Aromatic |
| CE2 | CD2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.40Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.41Å | Aromatic |
| CD1 | CG | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.55Å | |
| CB | CA | sing | 1.53Å | 1.57Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| N | CAR | sing | 1.35Å | 1.33Å | |
| CAR | OAW | doub | 1.21Å | 1.24Å | |
| CAR | CAS | sing | 1.49Å | 1.57Å | |
| CAS | OAY | sing | 1.34Å | 1.28Å | |
| CAS | OAX | doub | 1.21Å | 1.26Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| OAY | HAY | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAD | CAB | 120.4° | 120.0° |
| CAD | CAF | CAH | 120.7° | 119.9° |
| CAF | CAD | HAD | 119.8° | 120.0° |
| CAD | CAF | HAF | 119.6° | 120.0° |
| CAD | CAB | CAE | 119.0° | 120.0° |
| CAD | CAB | CAC | 119.8° | 120.0° |
| CAB | CAD | HAD | 119.8° | 120.0° |
| CAF | CAH | CAG | 119.0° | 120.0° |
| CAH | CAF | HAF | 119.6° | 120.0° |
| CAF | CAH | HAH | 120.5° | 119.9° |
| CAH | CAG | CAE | 120.2° | 120.0° |
| CAG | CAH | HAH | 120.5° | 120.0° |
| CAH | CAG | HAG | 119.9° | 119.9° |
| CAG | CAE | CAB | 120.7° | 120.0° |
| CAE | CAG | HAG | 119.9° | 120.1° |
| CAG | CAE | HAE | 119.7° | 120.0° |
| CAE | CAB | CAC | 121.3° | 120.0° |
| CAB | CAE | HAE | 119.6° | 120.0° |
| CAB | CAC | OH | 120.5° | 109.5° |
| CAB | CAC | HAC1 | 105.9° | 109.5° |
| CAB | CAC | HAC2 | 103.3° | 109.5° |
| CAC | OH | CZ | 114.2° | 116.9° |
| OH | CAC | HAC1 | 106.0° | 109.5° |
| OH | CAC | HAC2 | 103.4° | 109.5° |
| OH | CZ | CE2 | 119.8° | 120.0° |
| OH | CZ | CE1 | 123.1° | 120.1° |
| CE2 | CZ | CE1 | 117.0° | 119.9° |
| CZ | CE2 | CD2 | 120.6° | 119.9° |
| CZ | CE2 | HE2 | 119.7° | 120.1° |
| CZ | CE1 | CD1 | 122.5° | 119.9° |
| CZ | CE1 | HE1 | 118.8° | 120.1° |
| CE2 | CD2 | CG | 122.4° | 120.0° |
| CD2 | CE2 | HE2 | 119.7° | 120.0° |
| CE2 | CD2 | HD2 | 118.8° | 120.0° |
| CD2 | CG | CD1 | 118.0° | 120.2° |
| CD2 | CG | CB | 118.9° | 119.9° |
| CG | CD2 | HD2 | 118.8° | 120.0° |
| CE1 | CD1 | CG | 119.5° | 120.0° |
| CD1 | CE1 | HE1 | 118.7° | 120.0° |
| CE1 | CD1 | HD1 | 120.2° | 120.0° |
| CD1 | CG | CB | 123.1° | 119.9° |
| CG | CD1 | HD1 | 120.3° | 120.0° |
| CG | CB | CA | 112.3° | 109.5° |
| CG | CB | HB1C | 108.5° | 109.5° |
| CG | CB | HB2C | 107.9° | 109.5° |
| CB | CA | C | 113.2° | 109.4° |
| CB | CA | N | 108.6° | 109.4° |
| CA | CB | HB1C | 108.6° | 109.5° |
| CA | CB | HB2C | 107.9° | 109.5° |
| CB | CA | HA | 108.0° | 109.5° |
| C | CA | N | 110.9° | 109.5° |
| CA | C | OXT | 118.0° | 120.0° |
| CA | C | O | 118.3° | 120.0° |
| C | CA | HA | 105.6° | 109.5° |
| CA | N | CAR | 117.4° | 120.0° |
| N | CA | HA | 110.4° | 109.5° |
| CA | N | H | 121.3° | 120.0° |
| OXT | C | O | 123.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CAR | OAW | 120.4° | 120.0° |
| N | CAR | CAS | 120.0° | 120.0° |
| CAR | N | H | 121.3° | 120.0° |
| OAW | CAR | CAS | 119.5° | 120.0° |
| CAR | CAS | OAY | 119.5° | 120.0° |
| CAR | CAS | OAX | 116.1° | 120.0° |
| OAY | CAS | OAX | 124.5° | 120.0° |
| CAS | OAY | HAY | 109.5° | 117.0° |
| HAC1 | CAC | HAC2 | 118.6° | 109.5° |
| HB1C | CB | HB2C | 111.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAD | CAB | HAD | 180.0° | 179.8° |
| CAD | CAF | CAH | HAF | 180.0° | 179.9° |
| CAD | CAF | CAH | CAG | 0.3° | 0.0° |
| CAF | CAD | CAB | CAE | 0.5° | 0.0° |
| CAF | CAD | CAB | CAC | 179.6° | 180.0° |
| CAD | CAF | CAH | HAH | 179.7° | 180.0° |
| CAB | CAD | CAF | CAH | 0.5° | 0.0° |
| CAD | CAB | CAE | CAG | 0.5° | 0.1° |
| CAD | CAB | CAE | CAC | 179.9° | 180.0° |
| CAD | CAB | CAC | OH | 127.0° | 90.0° |
| CAB | CAD | CAF | HAF | 179.5° | 180.0° |
| CAD | CAB | CAE | HAE | 179.5° | 180.0° |
| CAD | CAB | CAC | HAC1 | 7.0° | 150.0° |
| CAD | CAB | CAC | HAC2 | 118.4° | 30.0° |
| CAF | CAH | CAG | HAH | 180.0° | 180.0° |
| CAF | CAH | CAG | CAE | 0.2° | 0.0° |
| CAH | CAF | CAD | HAD | 179.5° | 179.8° |
| CAF | CAH | CAG | HAG | 179.7° | 180.0° |
| CAH | CAG | CAE | HAG | 180.0° | 180.0° |
| CAH | CAG | CAE | CAB | 0.3° | 0.1° |
| CAG | CAH | CAF | HAF | 179.7° | 180.0° |
| CAH | CAG | CAE | HAE | 179.7° | 180.0° |
| CAG | CAE | CAB | HAE | 180.0° | 179.9° |
| CAG | CAE | CAB | CAC | 179.6° | 180.0° |
| CAE | CAG | CAH | HAH | 179.8° | 180.0° |
| CAE | CAB | CAC | OH | 53.1° | 90.0° |
| CAE | CAB | CAD | HAD | 179.4° | 179.7° |
| CAB | CAE | CAG | HAG | 179.7° | 180.0° |
| CAE | CAB | CAC | HAC1 | 173.1° | 29.9° |
| CAE | CAB | CAC | HAC2 | 61.5° | 150.0° |
| CAB | CAC | OH | HAC1 | 120.0° | 120.0° |
| CAB | CAC | OH | HAC2 | 114.6° | 120.0° |
| CAB | CAC | OH | CZ | 67.9° | 180.0° |
| CAC | CAB | CAD | HAD | 0.5° | 0.2° |
| CAC | CAB | CAE | HAE | 0.4° | 0.0° |
| CAB | CAC | HAC1 | HAC2 | 115.4° | 120.0° |
| CAC | OH | CZ | CE2 | 37.0° | 180.0° |
| CAC | OH | CZ | CE1 | 143.9° | 0.3° |
| OH | CAC | HAC1 | HAC2 | 115.5° | 120.0° |
| OH | CZ | CE2 | CE1 | 179.1° | 179.7° |
| OH | CZ | CE2 | CD2 | 178.7° | 180.0° |
| OH | CZ | CE1 | CD1 | 178.7° | 179.9° |
| CZ | OH | CAC | HAC1 | 52.1° | 60.1° |
| CZ | OH | CAC | HAC2 | 177.5° | 60.0° |
| OH | CZ | CE2 | HE2 | 1.3° | 0.1° |
| OH | CZ | CE1 | HE1 | 1.3° | 0.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | CG | 0.2° | 0.0° |
| CE2 | CZ | CE1 | CD1 | 0.4° | 0.2° |
| CE2 | CZ | CE1 | HE1 | 179.6° | 179.7° |
| CZ | CE2 | CD2 | HD2 | 179.8° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.5° | 0.3° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | CG | 0.1° | 0.1° |
| CE1 | CZ | CE2 | HE2 | 179.5° | 179.8° |
| CZ | CE1 | CD1 | HD1 | 179.9° | 180.0° |
| CE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CE2 | CD2 | CG | CD1 | 0.1° | 0.3° |
| CE2 | CD2 | CG | CB | 179.5° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.4° |
| CD2 | CG | CD1 | CB | 179.4° | 179.7° |
| CD2 | CG | CB | CA | 89.5° | 90.0° |
| CG | CD2 | CE2 | HE2 | 179.8° | 179.9° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.7° |
| CD2 | CG | CB | HB1C | 150.5° | 150.0° |
| CD2 | CG | CB | HB2C | 29.2° | 30.0° |
| CE1 | CD1 | CG | HD1 | 180.0° | 179.9° |
| CE1 | CD1 | CG | CB | 179.6° | 179.9° |
| CD1 | CG | CB | CA | 91.1° | 89.7° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.7° |
| CD1 | CG | CB | HB1C | 29.0° | 30.3° |
| CD1 | CG | CB | HB2C | 150.2° | 150.3° |
| CG | CB | CA | HB1C | 120.0° | 120.0° |
| CG | CB | CA | HB2C | 118.8° | 120.0° |
| CG | CB | CA | C | 89.6° | 175.0° |
| CG | CB | CA | N | 146.8° | 65.0° |
| CB | CG | CD2 | HD2 | 0.4° | 0.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.0° |
| CG | CB | HB1C | HB2C | 118.8° | 120.0° |
| CG | CB | CA | HA | 27.0° | 55.0° |
| CB | CA | C | N | 122.4° | 119.9° |
| CB | CA | C | HA | 118.0° | 120.0° |
| CB | CA | N | HA | 118.3° | 120.0° |
| CB | CA | C | OXT | 60.0° | 60.1° |
| CB | CA | C | O | 121.5° | 120.0° |
| CB | CA | N | CAR | 74.1° | 155.0° |
| CA | CB | HB1C | HB2C | 118.8° | 120.0° |
| CB | CA | N | H | 105.9° | 25.0° |
| C | CA | N | HA | 116.7° | 120.0° |
| CA | C | OXT | O | 178.4° | 179.9° |
| C | CA | N | CAR | 160.9° | 85.1° |
| C | CA | CB | HB1C | 150.4° | 65.0° |
| C | CA | CB | HB2C | 29.2° | 55.1° |
| C | CA | N | H | 19.2° | 95.0° |
| CA | C | OXT | HXT | 178.4° | 180.0° |
| N | CA | C | OXT | 177.6° | 180.0° |
| N | CA | C | O | 0.9° | 0.1° |
| CA | N | CAR | H | 180.0° | 179.9° |
| CA | N | CAR | OAW | 4.5° | 0.0° |
| CA | N | CAR | CAS | 178.8° | 180.0° |
| N | CA | CB | HB1C | 26.8° | 55.0° |
| N | CA | CB | HB2C | 94.4° | 175.0° |
| OXT | C | CA | HA | 57.9° | 60.0° |
| O | C | CA | HA | 120.6° | 119.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| N | CAR | OAW | CAS | 176.7° | 180.0° |
| N | CAR | CAS | OAY | 2.2° | 180.0° |
| N | CAR | CAS | OAX | 177.1° | 0.0° |
| CAR | N | CA | HA | 44.1° | 34.9° |
| OAW | CAR | CAS | OAY | 178.9° | 0.0° |
| OAW | CAR | CAS | OAX | 0.4° | 179.9° |
| OAW | CAR | N | H | 175.5° | 180.0° |
| CAR | CAS | OAY | OAX | 179.2° | 180.0° |
| CAS | CAR | N | H | 1.2° | 0.0° |
| CAR | CAS | OAY | HAY | 179.2° | 180.0° |
| OAX | CAS | OAY | HAY | 0.0° | 0.0° |
| HAD | CAD | CAF | HAF | 0.5° | 0.3° |
| HAF | CAF | CAH | HAH | 0.3° | 0.0° |
| HAH | CAH | CAG | HAG | 0.2° | 0.0° |
| HAG | CAG | CAE | HAE | 0.4° | 0.0° |
| HE2 | CE2 | CD2 | HD2 | 0.2° | 0.1° |
| HE1 | CE1 | CD1 | HD1 | 0.1° | 0.1° |
| HB1C | CB | CA | HA | 93.0° | 175.0° |
| HB2C | CB | CA | HA | 145.8° | 65.0° |
| HA | CA | N | H | 135.9° | 145.0° |
