U03
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CA2 | sing | 1.40Å | 1.43Å | Aromatic |
| CA | CA6 | doub | 1.37Å | 1.40Å | Aromatic |
| CA | CG1 | sing | 1.51Å | 1.54Å | |
| CA2 | OA2 | doub | 1.22Å | 1.20Å | |
| CA2 | OA3 | sing | 1.34Å | 1.36Å | Aromatic |
| CA4 | CA5 | doub | 1.40Å | 1.41Å | Aromatic |
| CA4 | CD1 | sing | 1.39Å | 1.43Å | Aromatic |
| CA4 | OA3 | sing | 1.35Å | 1.41Å | Aromatic |
| CA5 | CA6 | sing | 1.47Å | 1.41Å | Aromatic |
| CA5 | CD4 | sing | 1.40Å | 1.43Å | Aromatic |
| CA6 | OA6 | sing | 1.35Å | 1.39Å | |
| CB1 | CB2 | doub | 1.38Å | 1.42Å | Aromatic |
| CB1 | CB6 | sing | 1.38Å | 1.43Å | Aromatic |
| CB1 | CG1 | sing | 1.51Å | 1.55Å | |
| CB2 | CB3 | sing | 1.38Å | 1.42Å | Aromatic |
| CB2 | HB2 | sing | 1.08Å | 1.10Å | |
| CB3 | CB4 | doub | 1.38Å | 1.39Å | Aromatic |
| CB3 | HB3 | sing | 1.08Å | 1.10Å | |
| CB4 | CB5 | sing | 1.38Å | 1.40Å | Aromatic |
| CB4 | HB4 | sing | 1.08Å | 1.10Å | |
| CB5 | CB6 | doub | 1.38Å | 1.41Å | Aromatic |
| CB5 | HB5 | sing | 1.08Å | 1.10Å | |
| CB6 | HB6 | sing | 1.08Å | 1.10Å | |
| CG1 | CG2 | sing | 1.53Å | 1.54Å | |
| CG1 | HG1 | sing | 1.09Å | 1.11Å | |
| CG2 | CG3 | sing | 1.53Å | 1.52Å | |
| CG2 | HG21 | sing | 1.09Å | 1.12Å | |
| CG2 | HG22 | sing | 1.09Å | 1.11Å | |
| CG3 | HG31 | sing | 1.09Å | 1.11Å | |
| CG3 | HG32 | sing | 1.09Å | 1.12Å | |
| CG3 | HG33 | sing | 1.09Å | 1.12Å | |
| CD1 | CD2 | doub | 1.38Å | 1.43Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CD3 | sing | 1.39Å | 1.40Å | Aromatic |
| CD2 | OE3 | sing | 1.36Å | 1.37Å | |
| CD3 | CD4 | doub | 1.37Å | 1.41Å | Aromatic |
| CD3 | HD3 | sing | 1.08Å | 1.10Å | |
| CD4 | HD4 | sing | 1.08Å | 1.10Å | |
| CE3 | OE3 | sing | 1.43Å | 1.43Å | |
| CE3 | HE31 | sing | 1.09Å | 1.11Å | |
| CE3 | HE32 | sing | 1.09Å | 1.12Å | |
| CE3 | HE33 | sing | 1.09Å | 1.12Å | |
| OA6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA2 | CA | CA6 | 119.2° | 119.7° |
| CA2 | CA | CG1 | 120.6° | 120.1° |
| CA | CA2 | OA2 | 118.5° | 119.0° |
| CA | CA2 | OA3 | 124.2° | 121.9° |
| CA6 | CA | CG1 | 119.2° | 120.1° |
| CA | CA6 | CA5 | 118.4° | 118.0° |
| CA | CA6 | OA6 | 119.7° | 121.0° |
| CA | CG1 | CB1 | 118.9° | 109.5° |
| CA | CG1 | CG2 | 121.3° | 109.5° |
| CA | CG1 | HG1 | 86.3° | 109.5° |
| OA2 | CA2 | OA3 | 117.3° | 119.1° |
| CA2 | OA3 | CA4 | 115.8° | 121.6° |
| CA5 | CA4 | CD1 | 119.5° | 119.4° |
| CA5 | CA4 | OA3 | 122.7° | 119.9° |
| CA4 | CA5 | CA6 | 119.7° | 118.9° |
| CA4 | CA5 | CD4 | 120.3° | 120.1° |
| CD1 | CA4 | OA3 | 117.8° | 120.7° |
| CA4 | CD1 | CD2 | 119.9° | 119.8° |
| CA4 | CD1 | HD1 | 120.0° | 120.1° |
| CA6 | CA5 | CD4 | 120.0° | 121.0° |
| CA5 | CA6 | OA6 | 121.8° | 121.0° |
| CA5 | CD4 | CD3 | 119.8° | 119.8° |
| CA5 | CD4 | HD4 | 120.6° | 120.1° |
| CA6 | OA6 | HO6 | 119.7° | 106.8° |
| CB2 | CB1 | CB6 | 119.3° | 120.0° |
| CB2 | CB1 | CG1 | 120.3° | 120.1° |
| CB1 | CB2 | CB3 | 119.5° | 120.1° |
| CB1 | CB2 | HB2 | 120.6° | 119.9° |
| CB6 | CB1 | CG1 | 120.4° | 119.9° |
| CB1 | CB6 | CB5 | 119.5° | 119.9° |
| CB1 | CB6 | HB6 | 121.0° | 120.0° |
| CB1 | CG1 | CG2 | 119.8° | 109.5° |
| CB1 | CG1 | HG1 | 120.4° | 109.4° |
| CB3 | CB2 | HB2 | 120.0° | 120.0° |
| CB2 | CB3 | CB4 | 120.7° | 120.0° |
| CB2 | CB3 | HB3 | 120.5° | 120.1° |
| CB4 | CB3 | HB3 | 118.8° | 120.0° |
| CB3 | CB4 | CB5 | 120.2° | 120.0° |
| CB3 | CB4 | HB4 | 119.6° | 120.0° |
| CB5 | CB4 | HB4 | 120.2° | 120.0° |
| CB4 | CB5 | CB6 | 120.8° | 120.0° |
| CB4 | CB5 | HB5 | 119.3° | 120.0° |
| CB6 | CB5 | HB5 | 119.9° | 120.0° |
| CB5 | CB6 | HB6 | 119.5° | 120.0° |
| CG2 | CG1 | HG1 | 66.2° | 109.5° |
| CG1 | CG2 | CG3 | 113.0° | 109.4° |
| CG1 | CG2 | HG21 | 110.9° | 109.5° |
| CG1 | CG2 | HG22 | 110.9° | 109.5° |
| CG3 | CG2 | HG21 | 110.9° | 109.5° |
| CG3 | CG2 | HG22 | 110.9° | 109.5° |
| CG2 | CG3 | HG31 | 113.0° | 109.5° |
| CG2 | CG3 | HG32 | 110.9° | 109.5° |
| CG2 | CG3 | HG33 | 110.9° | 109.5° |
| HG21 | CG2 | HG22 | 99.4° | 109.4° |
| HG31 | CG3 | HG32 | 110.9° | 109.5° |
| HG31 | CG3 | HG33 | 110.9° | 109.5° |
| HG32 | CG3 | HG33 | 99.4° | 109.5° |
| CD2 | CD1 | HD1 | 120.1° | 120.2° |
| CD1 | CD2 | CD3 | 120.3° | 120.5° |
| CD1 | CD2 | OE3 | 120.5° | 119.7° |
| CD3 | CD2 | OE3 | 119.2° | 119.8° |
| CD2 | CD3 | CD4 | 120.3° | 120.4° |
| CD2 | CD3 | HD3 | 119.5° | 119.8° |
| CD2 | OE3 | CE3 | 114.3° | 106.8° |
| CD4 | CD3 | HD3 | 120.2° | 119.8° |
| CD3 | CD4 | HD4 | 119.7° | 120.1° |
| OE3 | CE3 | HE31 | 114.3° | 109.6° |
| OE3 | CE3 | HE32 | 110.4° | 109.5° |
| OE3 | CE3 | HE33 | 110.4° | 109.4° |
| HE31 | CE3 | HE32 | 110.5° | 109.5° |
| HE31 | CE3 | HE33 | 110.5° | 109.4° |
| HE32 | CE3 | HE33 | 99.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA2 | CA | CA6 | CG1 | 168.6° | 179.7° |
| CA | CA2 | OA2 | OA3 | 179.3° | 179.3° |
| CA | CA2 | OA3 | CA4 | 0.3° | 0.7° |
| CA2 | CA | CA6 | CA5 | 2.1° | 0.3° |
| CA2 | CA | CA6 | OA6 | 174.3° | 179.6° |
| CA2 | CA | CG1 | CB1 | 75.4° | 65.7° |
| CA2 | CA | CG1 | CG2 | 102.4° | 174.3° |
| CA2 | CA | CG1 | HG1 | 161.6° | 54.2° |
| CA6 | CA | CA2 | OA2 | 179.7° | 179.9° |
| CA6 | CA | CA2 | OA3 | 1.1° | 0.7° |
| CA | CA6 | CA5 | CA4 | 1.8° | 0.0° |
| CA | CA6 | CA5 | OA6 | 176.3° | 179.9° |
| CA | CA6 | CA5 | CD4 | 177.5° | 179.9° |
| CA6 | CA | CG1 | CB1 | 93.0° | 114.6° |
| CA6 | CA | CG1 | CG2 | 89.2° | 5.4° |
| CA6 | CA | CG1 | HG1 | 30.0° | 125.5° |
| CA | CA6 | OA6 | HO6 | 180.0° | 179.9° |
| CG1 | CA | CA2 | OA2 | 11.9° | 0.4° |
| CG1 | CA | CA2 | OA3 | 167.3° | 179.6° |
| CG1 | CA | CA6 | CA5 | 166.5° | 180.0° |
| CG1 | CA | CA6 | OA6 | 17.1° | 0.1° |
| CA | CG1 | CB1 | CB2 | 128.8° | 123.1° |
| CA | CG1 | CB1 | CB6 | 49.6° | 57.3° |
| CA | CG1 | CB1 | CG2 | 177.8° | 120.0° |
| CA | CG1 | CB1 | HG1 | 103.9° | 120.0° |
| CA | CG1 | CG2 | HG1 | 69.5° | 120.0° |
| CA | CG1 | CG2 | CG3 | 75.5° | 180.0° |
| CA | CG1 | CG2 | HG21 | 159.3° | 60.0° |
| CA | CG1 | CG2 | HG22 | 49.8° | 60.0° |
| OA2 | CA2 | OA3 | CA4 | 178.9° | 180.0° |
| CA2 | OA3 | CA4 | CA5 | 0.7° | 0.4° |
| CA2 | OA3 | CA4 | CD1 | 178.6° | 179.6° |
| CA5 | CA4 | CD1 | OA3 | 179.3° | 180.0° |
| CA4 | CA5 | CA6 | CD4 | 179.3° | 179.9° |
| CA4 | CA5 | CA6 | OA6 | 174.5° | 179.9° |
| CA5 | CA4 | CD1 | CD2 | 0.2° | 0.0° |
| CA5 | CA4 | CD1 | HD1 | 179.8° | 180.0° |
| CA4 | CA5 | CD4 | CD3 | 0.1° | 0.1° |
| CA4 | CA5 | CD4 | HD4 | 180.0° | 180.0° |
| CD1 | CA4 | CA5 | CA6 | 179.6° | 180.0° |
| CD1 | CA4 | CA5 | CD4 | 0.3° | 0.0° |
| CA4 | CD1 | CD2 | HD1 | 180.0° | 180.0° |
| CA4 | CD1 | CD2 | CD3 | 0.2° | 0.0° |
| CA4 | CD1 | CD2 | OE3 | 179.5° | 180.0° |
| OA3 | CA4 | CA5 | CA6 | 0.4° | 0.0° |
| OA3 | CA4 | CA5 | CD4 | 178.9° | 180.0° |
| OA3 | CA4 | CD1 | CD2 | 179.0° | 180.0° |
| OA3 | CA4 | CD1 | HD1 | 0.9° | 0.0° |
| CA6 | CA5 | CD4 | CD3 | 179.2° | 180.0° |
| CA6 | CA5 | CD4 | HD4 | 0.7° | 0.1° |
| CA5 | CA6 | OA6 | HO6 | 3.8° | 0.0° |
| CD4 | CA5 | CA6 | OA6 | 6.2° | 0.0° |
| CA5 | CD4 | CD3 | CD2 | 0.5° | 0.0° |
| CA5 | CD4 | CD3 | HD4 | 180.0° | 180.0° |
| CA5 | CD4 | CD3 | HD3 | 179.4° | 179.9° |
| CB2 | CB1 | CB6 | CG1 | 178.4° | 179.7° |
| CB1 | CB2 | CB3 | HB2 | 180.0° | 179.9° |
| CB1 | CB2 | CB3 | CB4 | 0.0° | 0.1° |
| CB1 | CB2 | CB3 | HB3 | 180.0° | 179.9° |
| CB2 | CB1 | CB6 | CB5 | 0.1° | 0.5° |
| CB2 | CB1 | CB6 | HB6 | 179.9° | 180.0° |
| CB2 | CB1 | CG1 | CG2 | 49.0° | 116.9° |
| CB2 | CB1 | CG1 | HG1 | 127.3° | 3.1° |
| CB6 | CB1 | CB2 | CB3 | 0.1° | 0.3° |
| CB6 | CB1 | CB2 | HB2 | 179.9° | 179.7° |
| CB1 | CB6 | CB5 | CB4 | 0.0° | 0.5° |
| CB1 | CB6 | CB5 | HB6 | 179.9° | 179.5° |
| CB1 | CB6 | CB5 | HB5 | 179.9° | 179.7° |
| CB6 | CB1 | CG1 | CG2 | 132.6° | 62.7° |
| CB6 | CB1 | CG1 | HG1 | 54.3° | 177.2° |
| CG1 | CB1 | CB2 | CB3 | 178.3° | 180.0° |
| CG1 | CB1 | CB2 | HB2 | 1.7° | 0.1° |
| CG1 | CB1 | CB6 | CB5 | 178.3° | 179.8° |
| CG1 | CB1 | CB6 | HB6 | 1.8° | 0.3° |
| CB1 | CG1 | CG2 | HG1 | 112.7° | 120.0° |
| CB1 | CG1 | CG2 | CG3 | 102.3° | 60.0° |
| CB1 | CG1 | CG2 | HG21 | 23.0° | 60.0° |
| CB1 | CG1 | CG2 | HG22 | 132.5° | 180.0° |
| CB2 | CB3 | CB4 | HB3 | 180.0° | 180.0° |
| CB2 | CB3 | CB4 | CB5 | 0.1° | 0.0° |
| CB2 | CB3 | CB4 | HB4 | 180.0° | 180.0° |
| HB2 | CB2 | CB3 | CB4 | 180.0° | 180.0° |
| HB2 | CB2 | CB3 | HB3 | 0.1° | 0.0° |
| CB3 | CB4 | CB5 | HB4 | 180.0° | 180.0° |
| CB3 | CB4 | CB5 | CB6 | 0.1° | 0.2° |
| CB3 | CB4 | CB5 | HB5 | 179.9° | 180.0° |
| HB3 | CB3 | CB4 | CB5 | 179.9° | 180.0° |
| HB3 | CB3 | CB4 | HB4 | 0.1° | 0.0° |
| CB4 | CB5 | CB6 | HB5 | 180.0° | 179.8° |
| CB4 | CB5 | CB6 | HB6 | 180.0° | 180.0° |
| HB4 | CB4 | CB5 | CB6 | 179.9° | 179.8° |
| HB4 | CB4 | CB5 | HB5 | 0.1° | 0.0° |
| HB5 | CB5 | CB6 | HB6 | 0.0° | 0.2° |
| CG1 | CG2 | CG3 | HG21 | 125.2° | 120.0° |
| CG1 | CG2 | CG3 | HG22 | 125.3° | 120.0° |
| CG1 | CG2 | HG21 | HG22 | 116.8° | 120.0° |
| CG1 | CG2 | CG3 | HG31 | 180.0° | 180.0° |
| CG1 | CG2 | CG3 | HG32 | 54.7° | 60.0° |
| CG1 | CG2 | CG3 | HG33 | 54.7° | 60.0° |
| HG1 | CG1 | CG2 | CG3 | 145.1° | 60.0° |
| HG1 | CG1 | CG2 | HG21 | 89.7° | 180.0° |
| HG1 | CG1 | CG2 | HG22 | 19.8° | 60.0° |
| CG3 | CG2 | HG21 | HG22 | 116.8° | 120.0° |
| CG2 | CG3 | HG31 | HG32 | 125.3° | 120.0° |
| CG2 | CG3 | HG31 | HG33 | 125.3° | 120.0° |
| CG2 | CG3 | HG32 | HG33 | 116.7° | 120.0° |
| HG21 | CG2 | CG3 | HG31 | 54.8° | 60.0° |
| HG21 | CG2 | CG3 | HG32 | 179.9° | 60.0° |
| HG21 | CG2 | CG3 | HG33 | 70.5° | 180.0° |
| HG22 | CG2 | CG3 | HG31 | 54.7° | 60.0° |
| HG22 | CG2 | CG3 | HG32 | 70.6° | 180.0° |
| HG22 | CG2 | CG3 | HG33 | 180.0° | 60.0° |
| HG31 | CG3 | HG32 | HG33 | 116.8° | 120.0° |
| CD1 | CD2 | CD3 | OE3 | 179.3° | 180.0° |
| CD1 | CD2 | CD3 | CD4 | 0.6° | 0.0° |
| CD1 | CD2 | CD3 | HD3 | 179.4° | 180.0° |
| CD1 | CD2 | OE3 | CE3 | 20.3° | 179.9° |
| HD1 | CD1 | CD2 | CD3 | 179.8° | 180.0° |
| HD1 | CD1 | CD2 | OE3 | 0.4° | 0.0° |
| CD2 | CD3 | CD4 | HD3 | 179.9° | 180.0° |
| CD2 | CD3 | CD4 | HD4 | 179.5° | 180.0° |
| CD3 | CD2 | OE3 | CE3 | 160.4° | 0.1° |
| OE3 | CD2 | CD3 | CD4 | 179.9° | 180.0° |
| OE3 | CD2 | CD3 | HD3 | 0.0° | 0.1° |
| CD2 | OE3 | CE3 | HE31 | 180.0° | 180.0° |
| CD2 | OE3 | CE3 | HE32 | 54.7° | 59.9° |
| CD2 | OE3 | CE3 | HE33 | 54.7° | 60.0° |
| HD3 | CD3 | CD4 | HD4 | 0.5° | 0.0° |
| OE3 | CE3 | HE31 | HE32 | 125.3° | 120.1° |
| OE3 | CE3 | HE31 | HE33 | 125.3° | 119.9° |
| OE3 | CE3 | HE32 | HE33 | 116.3° | 119.9° |
| HE31 | CE3 | HE32 | HE33 | 116.3° | 120.0° |
