YOL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2A | CAA | sing | 1.35Å | 1.23Å | |
| O2A | H2A | sing | 0.97Å | 0.95Å | |
| CAA | O1A | doub | 1.21Å | 1.32Å | |
| CAA | CC5 | sing | 1.48Å | 1.54Å | |
| CC5 | CC6 | sing | 1.39Å | 1.45Å | Aromatic |
| CC5 | CC4 | doub | 1.40Å | 1.46Å | Aromatic |
| CC6 | CC1 | doub | 1.41Å | 1.44Å | Aromatic |
| CC6 | HC6 | sing | 1.08Å | 1.08Å | |
| CC1 | CC2 | sing | 1.38Å | 1.45Å | Aromatic |
| CC1 | NA | sing | 1.37Å | 1.41Å | |
| CC2 | CC3 | doub | 1.42Å | 1.45Å | Aromatic |
| CC2 | NB | sing | 1.37Å | 1.43Å | |
| CC3 | CC4 | sing | 1.36Å | 1.42Å | Aromatic |
| CC3 | HC3 | sing | 1.08Å | 1.08Å | |
| CC4 | HC4 | sing | 1.08Å | 1.08Å | |
| NA | CA | doub | 1.30Å | 1.33Å | |
| NA | FE | sing | 1.87Å | 2.21Å | |
| CA | CA1 | sing | 1.46Å | 1.46Å | |
| CA | HA | sing | 1.09Å | 1.08Å | |
| CA1 | CA6 | doub | 1.40Å | 1.40Å | Aromatic |
| CA1 | CA2 | sing | 1.40Å | 1.46Å | Aromatic |
| CA6 | CA5 | sing | 1.38Å | 1.42Å | Aromatic |
| CA6 | HA6 | sing | 1.08Å | 1.08Å | |
| CA5 | CA4 | doub | 1.39Å | 1.41Å | Aromatic |
| CA5 | HA5 | sing | 1.08Å | 1.08Å | |
| CA4 | CA3 | sing | 1.38Å | 1.42Å | Aromatic |
| CA4 | HA4 | sing | 1.08Å | 1.08Å | |
| CA3 | CA2 | doub | 1.40Å | 1.43Å | Aromatic |
| CA3 | HA3 | sing | 1.08Å | 1.08Å | |
| CA2 | OA | sing | 1.33Å | 1.36Å | |
| OA | FE | sing | 1.78Å | 2.00Å | |
| FE | OB | sing | 1.78Å | 2.05Å | |
| FE | NB | sing | 1.87Å | 2.24Å | |
| OB | CB2 | sing | 1.33Å | 1.37Å | |
| CB2 | CB3 | doub | 1.40Å | 1.42Å | Aromatic |
| CB2 | CB1 | sing | 1.40Å | 1.48Å | Aromatic |
| CB3 | CB4 | sing | 1.38Å | 1.42Å | Aromatic |
| CB3 | HB3 | sing | 1.08Å | 1.08Å | |
| CB4 | CB5 | doub | 1.39Å | 1.40Å | Aromatic |
| CB4 | HB4 | sing | 1.08Å | 1.08Å | |
| CB5 | CB6 | sing | 1.38Å | 1.39Å | Aromatic |
| CB5 | HB5 | sing | 1.08Å | 1.08Å | |
| CB6 | CB1 | doub | 1.40Å | 1.41Å | Aromatic |
| CB6 | HB6 | sing | 1.08Å | 1.08Å | |
| CB1 | CB | sing | 1.46Å | 1.44Å | |
| CB | NB | doub | 1.30Å | 1.24Å | |
| CB | HB | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | O2A | H2A | 109.5° | 120.0° |
| O2A | CAA | O1A | 119.5° | 120.0° |
| O2A | CAA | CC5 | 124.8° | 120.0° |
| O1A | CAA | CC5 | 115.7° | 120.0° |
| CAA | CC5 | CC6 | 115.4° | 120.0° |
| CAA | CC5 | CC4 | 119.6° | 120.1° |
| CC6 | CC5 | CC4 | 124.3° | 119.9° |
| CC5 | CC6 | CC1 | 117.6° | 120.1° |
| CC5 | CC6 | HC6 | 121.2° | 120.0° |
| CC5 | CC4 | CC3 | 117.6° | 120.1° |
| CC5 | CC4 | HC4 | 121.2° | 119.9° |
| CC1 | CC6 | HC6 | 121.2° | 119.9° |
| CC6 | CC1 | CC2 | 117.7° | 119.4° |
| CC6 | CC1 | NA | 128.3° | 124.7° |
| CC2 | CC1 | NA | 114.1° | 115.9° |
| CC1 | CC2 | CC3 | 124.4° | 119.6° |
| CC1 | CC2 | NB | 117.7° | 116.0° |
| CC1 | NA | CA | 128.6° | 125.4° |
| CC1 | NA | FE | 108.2° | 110.3° |
| CC3 | CC2 | NB | 117.8° | 124.4° |
| CC2 | CC3 | CC4 | 118.4° | 120.7° |
| CC2 | CC3 | HC3 | 120.8° | 119.6° |
| CC2 | NB | FE | 104.8° | 110.4° |
| CC2 | NB | CB | 131.3° | 125.3° |
| CC4 | CC3 | HC3 | 120.8° | 119.6° |
| CC3 | CC4 | HC4 | 121.2° | 119.9° |
| CA | NA | FE | 120.1° | 124.3° |
| NA | CA | CA1 | 129.2° | 125.7° |
| NA | CA | HA | 115.4° | 116.9° |
| NA | FE | OA | 81.5° | 96.6° |
| NA | FE | OB | 152.3° | 176.0° |
| NA | FE | NB | 74.4° | 87.5° |
| CA1 | CA | HA | 115.4° | 117.4° |
| CA | CA1 | CA6 | 124.7° | 118.8° |
| CA | CA1 | CA2 | 120.2° | 121.3° |
| CA6 | CA1 | CA2 | 115.1° | 119.9° |
| CA1 | CA6 | CA5 | 124.4° | 120.2° |
| CA1 | CA6 | HA6 | 117.8° | 119.8° |
| CA1 | CA2 | CA3 | 120.9° | 118.8° |
| CA1 | CA2 | OA | 119.0° | 123.2° |
| CA5 | CA6 | HA6 | 117.8° | 119.9° |
| CA6 | CA5 | CA4 | 119.9° | 119.9° |
| CA6 | CA5 | HA5 | 120.1° | 120.1° |
| CA4 | CA5 | HA5 | 120.1° | 120.0° |
| CA5 | CA4 | CA3 | 118.6° | 120.4° |
| CA5 | CA4 | HA4 | 120.7° | 119.8° |
| CA3 | CA4 | HA4 | 120.7° | 119.8° |
| CA4 | CA3 | CA2 | 121.1° | 120.7° |
| CA4 | CA3 | HA3 | 119.5° | 119.6° |
| CA2 | CA3 | HA3 | 119.5° | 119.6° |
| CA3 | CA2 | OA | 120.1° | 118.0° |
| CA2 | OA | FE | 137.0° | 128.9° |
| OA | FE | OB | 87.3° | 79.5° |
| OA | FE | NB | 119.7° | 175.9° |
| OB | FE | NB | 89.7° | 96.5° |
| FE | OB | CB2 | 124.4° | 129.0° |
| FE | NB | CB | 123.8° | 124.3° |
| OB | CB2 | CB3 | 113.4° | 118.0° |
| OB | CB2 | CB1 | 128.4° | 123.3° |
| CB3 | CB2 | CB1 | 118.1° | 118.7° |
| CB2 | CB3 | CB4 | 118.1° | 120.8° |
| CB2 | CB3 | HB3 | 121.0° | 119.7° |
| CB2 | CB1 | CB6 | 120.4° | 120.0° |
| CB2 | CB1 | CB | 123.0° | 121.2° |
| CB4 | CB3 | HB3 | 121.0° | 119.6° |
| CB3 | CB4 | CB5 | 123.6° | 120.4° |
| CB3 | CB4 | HB4 | 118.2° | 119.8° |
| CB5 | CB4 | HB4 | 118.2° | 119.8° |
| CB4 | CB5 | CB6 | 119.4° | 120.0° |
| CB4 | CB5 | HB5 | 120.3° | 120.1° |
| CB6 | CB5 | HB5 | 120.3° | 120.0° |
| CB5 | CB6 | CB1 | 120.3° | 120.2° |
| CB5 | CB6 | HB6 | 119.9° | 120.0° |
| CB1 | CB6 | HB6 | 119.9° | 119.9° |
| CB6 | CB1 | CB | 116.5° | 118.8° |
| CB1 | CB | NB | 128.4° | 125.7° |
| CB1 | CB | HB | 115.8° | 117.4° |
| NB | CB | HB | 115.8° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2A | CAA | O1A | CC5 | 179.7° | 179.9° |
| O2A | CAA | CC5 | CC6 | 145.5° | 179.9° |
| O2A | CAA | CC5 | CC4 | 26.0° | 0.1° |
| H2A | O2A | CAA | O1A | 0.0° | 0.1° |
| H2A | O2A | CAA | CC5 | 179.7° | 180.0° |
| O1A | CAA | CC5 | CC6 | 34.7° | 0.0° |
| O1A | CAA | CC5 | CC4 | 153.7° | 180.0° |
| CAA | CC5 | CC6 | CC4 | 171.1° | 180.0° |
| CAA | CC5 | CC6 | CC1 | 170.8° | 179.9° |
| CAA | CC5 | CC6 | HC6 | 9.1° | 0.2° |
| CAA | CC5 | CC4 | CC3 | 170.5° | 179.8° |
| CAA | CC5 | CC4 | HC4 | 9.5° | 0.2° |
| CC5 | CC6 | CC1 | HC6 | 180.0° | 179.9° |
| CC5 | CC6 | CC1 | CC2 | 0.3° | 0.2° |
| CC5 | CC6 | CC1 | NA | 179.9° | 179.9° |
| CC6 | CC5 | CC4 | CC3 | 0.2° | 0.2° |
| CC6 | CC5 | CC4 | HC4 | 179.8° | 179.7° |
| CC4 | CC5 | CC6 | CC1 | 0.2° | 0.1° |
| CC4 | CC5 | CC6 | HC6 | 179.8° | 179.8° |
| CC5 | CC4 | CC3 | CC2 | 0.4° | 0.0° |
| CC5 | CC4 | CC3 | HC4 | 180.0° | 180.0° |
| CC5 | CC4 | CC3 | HC3 | 179.6° | 180.0° |
| CC6 | CC1 | CC2 | NA | 179.8° | 179.9° |
| CC6 | CC1 | CC2 | CC3 | 1.0° | 0.4° |
| CC6 | CC1 | CC2 | NB | 179.5° | 179.4° |
| CC6 | CC1 | NA | CA | 13.2° | 0.2° |
| CC6 | CC1 | NA | FE | 146.6° | 179.8° |
| HC6 | CC6 | CC1 | CC2 | 179.7° | 179.9° |
| HC6 | CC6 | CC1 | NA | 0.1° | 0.0° |
| CC1 | CC2 | CC3 | NB | 179.5° | 179.8° |
| CC1 | CC2 | CC3 | CC4 | 1.0° | 0.3° |
| CC1 | CC2 | CC3 | HC3 | 179.0° | 179.6° |
| CC2 | CC1 | NA | CA | 166.9° | 179.9° |
| CC2 | CC1 | NA | FE | 33.2° | 0.1° |
| CC1 | CC2 | NB | FE | 31.5° | 0.6° |
| CC1 | CC2 | NB | CB | 145.5° | 179.2° |
| NA | CC1 | CC2 | CC3 | 179.2° | 179.7° |
| NA | CC1 | CC2 | NB | 0.3° | 0.5° |
| CC1 | NA | CA | FE | 157.8° | 180.0° |
| CC1 | NA | CA | CA1 | 166.1° | 179.6° |
| CC1 | NA | CA | HA | 13.9° | 0.4° |
| CC1 | NA | FE | OA | 162.5° | 179.6° |
| CC1 | NA | FE | OB | 95.3° | 170.6° |
| CC1 | NA | FE | NB | 38.2° | 0.2° |
| CC2 | CC3 | CC4 | HC3 | 180.0° | 180.0° |
| CC2 | CC3 | CC4 | HC4 | 179.6° | 180.0° |
| CC3 | CC2 | NB | FE | 148.9° | 179.5° |
| CC3 | CC2 | NB | CB | 34.1° | 0.6° |
| NB | CC2 | CC3 | CC4 | 179.4° | 179.5° |
| NB | CC2 | CC3 | HC3 | 0.5° | 0.5° |
| CC2 | NB | FE | NA | 36.2° | 0.5° |
| CC2 | NB | FE | OA | 106.4° | 172.6° |
| CC2 | NB | FE | OB | 166.8° | 179.8° |
| CC2 | NB | FE | CB | 177.3° | 179.9° |
| CC2 | NB | CB | CB1 | 167.3° | 179.7° |
| CC2 | NB | CB | HB | 12.7° | 0.4° |
| HC3 | CC3 | CC4 | HC4 | 0.4° | 0.0° |
| NA | CA | CA1 | HA | 180.0° | 180.0° |
| NA | CA | CA1 | CA6 | 167.7° | 179.8° |
| NA | CA | CA1 | CA2 | 12.0° | 0.2° |
| CA | NA | FE | OA | 35.6° | 0.4° |
| CA | NA | FE | OB | 102.8° | 9.4° |
| CA | NA | FE | NB | 159.9° | 179.8° |
| FE | NA | CA | CA1 | 36.1° | 0.4° |
| FE | NA | CA | HA | 143.9° | 179.5° |
| NA | FE | OA | CA2 | 32.6° | 0.2° |
| NA | FE | OA | OB | 154.6° | 179.4° |
| NA | FE | OA | NB | 66.4° | 172.1° |
| NA | FE | OB | NB | 54.0° | 170.4° |
| NA | FE | OB | CB2 | 44.0° | 170.3° |
| NA | FE | NB | CB | 141.1° | 179.4° |
| CA | CA1 | CA6 | CA2 | 179.7° | 180.0° |
| CA | CA1 | CA6 | CA5 | 179.5° | 179.9° |
| CA | CA1 | CA6 | HA6 | 0.5° | 0.1° |
| CA | CA1 | CA2 | CA3 | 179.6° | 179.9° |
| CA | CA1 | CA2 | OA | 0.5° | 0.0° |
| HA | CA | CA1 | CA6 | 12.3° | 0.2° |
| HA | CA | CA1 | CA2 | 167.9° | 179.8° |
| CA1 | CA6 | CA5 | HA6 | 180.0° | 180.0° |
| CA1 | CA6 | CA5 | CA4 | 0.1° | 0.0° |
| CA1 | CA6 | CA5 | HA5 | 179.9° | 180.0° |
| CA6 | CA1 | CA2 | CA3 | 0.2° | 0.1° |
| CA6 | CA1 | CA2 | OA | 179.7° | 180.0° |
| CA2 | CA1 | CA6 | CA5 | 0.3° | 0.1° |
| CA2 | CA1 | CA6 | HA6 | 179.7° | 179.9° |
| CA1 | CA2 | CA3 | CA4 | 0.2° | 0.1° |
| CA1 | CA2 | CA3 | OA | 179.9° | 179.9° |
| CA1 | CA2 | CA3 | HA3 | 179.8° | 179.9° |
| CA1 | CA2 | OA | FE | 20.4° | 0.1° |
| CA6 | CA5 | CA4 | HA5 | 180.0° | 180.0° |
| CA6 | CA5 | CA4 | CA3 | 0.3° | 0.0° |
| CA6 | CA5 | CA4 | HA4 | 179.7° | 180.0° |
| HA6 | CA6 | CA5 | CA4 | 179.9° | 180.0° |
| HA6 | CA6 | CA5 | HA5 | 0.1° | 0.0° |
| CA5 | CA4 | CA3 | HA4 | 180.0° | 180.0° |
| CA5 | CA4 | CA3 | CA2 | 0.4° | 0.0° |
| CA5 | CA4 | CA3 | HA3 | 179.6° | 180.0° |
| HA5 | CA5 | CA4 | CA3 | 179.8° | 180.0° |
| HA5 | CA5 | CA4 | HA4 | 0.3° | 0.0° |
| CA4 | CA3 | CA2 | HA3 | 180.0° | 180.0° |
| CA4 | CA3 | CA2 | OA | 180.0° | 180.0° |
| HA4 | CA4 | CA3 | CA2 | 179.6° | 180.0° |
| HA4 | CA4 | CA3 | HA3 | 0.4° | 0.0° |
| CA3 | CA2 | OA | FE | 159.5° | 180.0° |
| HA3 | CA3 | CA2 | OA | 0.0° | 0.0° |
| CA2 | OA | FE | OB | 172.8° | 179.6° |
| CA2 | OA | FE | NB | 99.1° | 172.4° |
| OA | FE | OB | NB | 119.8° | 179.5° |
| OA | FE | OB | CB2 | 109.8° | 179.4° |
| OA | FE | NB | CB | 70.9° | 7.3° |
| FE | OB | CB2 | CB3 | 174.1° | 179.8° |
| FE | OB | CB2 | CB1 | 4.7° | 0.2° |
| OB | FE | NB | CB | 15.9° | 0.1° |
| NB | FE | OB | CB2 | 10.0° | 0.1° |
| FE | NB | CB | CB1 | 16.2° | 0.2° |
| FE | NB | CB | HB | 163.8° | 179.7° |
| OB | CB2 | CB3 | CB1 | 178.9° | 180.0° |
| OB | CB2 | CB3 | CB4 | 179.8° | 180.0° |
| OB | CB2 | CB3 | HB3 | 0.2° | 0.1° |
| OB | CB2 | CB1 | CB6 | 179.2° | 180.0° |
| OB | CB2 | CB1 | CB | 1.1° | 0.1° |
| CB2 | CB3 | CB4 | HB3 | 180.0° | 179.9° |
| CB2 | CB3 | CB4 | CB5 | 0.9° | 0.0° |
| CB2 | CB3 | CB4 | HB4 | 179.1° | 180.0° |
| CB3 | CB2 | CB1 | CB6 | 0.4° | 0.1° |
| CB3 | CB2 | CB1 | CB | 179.8° | 179.9° |
| CB1 | CB2 | CB3 | CB4 | 0.9° | 0.0° |
| CB1 | CB2 | CB3 | HB3 | 179.1° | 179.9° |
| CB2 | CB1 | CB6 | CB5 | 0.1° | 0.1° |
| CB2 | CB1 | CB6 | CB | 179.8° | 179.9° |
| CB2 | CB1 | CB6 | HB6 | 179.9° | 179.9° |
| CB2 | CB1 | CB | NB | 6.0° | 0.1° |
| CB2 | CB1 | CB | HB | 174.0° | 179.8° |
| CB3 | CB4 | CB5 | HB4 | 180.0° | 180.0° |
| CB3 | CB4 | CB5 | CB6 | 0.4° | 0.0° |
| CB3 | CB4 | CB5 | HB5 | 179.6° | 180.0° |
| HB3 | CB3 | CB4 | CB5 | 179.1° | 179.9° |
| HB3 | CB3 | CB4 | HB4 | 0.9° | 0.0° |
| CB4 | CB5 | CB6 | HB5 | 180.0° | 180.0° |
| CB4 | CB5 | CB6 | CB1 | 0.1° | 0.1° |
| CB4 | CB5 | CB6 | HB6 | 179.9° | 179.9° |
| HB4 | CB4 | CB5 | CB6 | 179.6° | 180.0° |
| HB4 | CB4 | CB5 | HB5 | 0.4° | 0.1° |
| CB5 | CB6 | CB1 | HB6 | 180.0° | 180.0° |
| CB5 | CB6 | CB1 | CB | 179.7° | 179.8° |
| HB5 | CB5 | CB6 | CB1 | 179.9° | 180.0° |
| HB5 | CB5 | CB6 | HB6 | 0.1° | 0.0° |
| CB6 | CB1 | CB | NB | 173.8° | 179.9° |
| CB6 | CB1 | CB | HB | 6.2° | 0.3° |
| HB6 | CB6 | CB1 | CB | 0.3° | 0.2° |
| CB1 | CB | NB | HB | 180.0° | 179.9° |
