UIN
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 | 1.38Å | 1.39Å | Aromatic |
CA | CG1 | sing | 1.51Å | 1.53Å | |
CA2 | OA2 | doub | 1.22Å | 1.21Å | |
CA2 | OA3 | sing | 1.34Å | 1.36Å | Aromatic |
OA3 | CA4 | sing | 1.34Å | 1.40Å | Aromatic |
CA4 | CA5 | doub | 1.35Å | 1.40Å | Aromatic |
CA4 | CD1 | sing | 1.51Å | 1.51Å | |
CA5 | CA6 | sing | 1.41Å | 1.39Å | Aromatic |
CA5 | CD6 | sing | 1.50Å | 1.51Å | |
CA6 | OA6 | sing | 1.35Å | 1.36Å | |
OA6 | HO6 | sing | 0.97Å | 0.95Å | |
CB1 | CB2 | doub | 1.38Å | 1.42Å | Aromatic |
CB1 | CB6 | sing | 1.38Å | 1.43Å | Aromatic |
CB1 | CG1 | sing | 1.51Å | 1.51Å | |
CB2 | CB3 | sing | 1.38Å | 1.40Å | Aromatic |
CB2 | HB2 | sing | 1.08Å | 1.10Å | |
CB3 | CB4 | doub | 1.38Å | 1.40Å | Aromatic |
CB3 | HB3 | sing | 1.08Å | 1.10Å | |
CB4 | CB5 | sing | 1.38Å | 1.41Å | Aromatic |
CB4 | HB4 | sing | 1.08Å | 1.10Å | |
CB5 | CB6 | doub | 1.38Å | 1.40Å | Aromatic |
CB5 | HB5 | sing | 1.08Å | 1.10Å | |
CB6 | HB6 | sing | 1.08Å | 1.10Å | |
CG1 | CG2 | sing | 1.53Å | 1.52Å | |
CG1 | HG1 | sing | 1.09Å | 1.11Å | |
CG2 | CG3 | sing | 1.53Å | 1.52Å | |
CG2 | HG21 | sing | 1.09Å | 1.11Å | |
CG2 | HG22 | sing | 1.09Å | 1.12Å | |
CG3 | HG31 | sing | 1.09Å | 1.12Å | |
CG3 | HG32 | sing | 1.09Å | 1.11Å | |
CG3 | HG33 | sing | 1.09Å | 1.11Å | |
CD1 | CD2 | sing | 1.53Å | 1.51Å | |
CD1 | HD11 | sing | 1.09Å | 1.11Å | |
CD1 | HD12 | sing | 1.09Å | 1.11Å | |
CD2 | CD3 | sing | 1.55Å | 1.51Å | |
CD2 | HD21 | sing | 1.09Å | 1.12Å | |
CD2 | HD22 | sing | 1.09Å | 1.11Å | |
CD3 | CD4 | sing | 1.54Å | 1.53Å | |
CD3 | HD31 | sing | 1.09Å | 1.11Å | |
CD3 | HD32 | sing | 1.09Å | 1.11Å | |
CD4 | CD5 | sing | 1.51Å | 1.53Å | |
CD4 | HD41 | sing | 1.09Å | 1.11Å | |
CD4 | HD42 | sing | 1.09Å | 1.12Å | |
CD5 | CD6 | sing | 1.50Å | 1.51Å | |
CD5 | HD51 | sing | 1.09Å | 1.12Å | |
CD5 | HD52 | sing | 1.09Å | 1.11Å | |
CD6 | HD61 | sing | 1.09Å | 1.11Å | |
CD6 | HD62 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA2 | CA | CA6 | 119.7° | 118.8° |
CA2 | CA | CG1 | 122.4° | 120.6° |
CA | CA2 | OA2 | 121.3° | 119.8° |
CA | CA2 | OA3 | 122.3° | 120.4° |
CA6 | CA | CG1 | 117.8° | 120.6° |
CA | CA6 | CA5 | 119.6° | 118.3° |
CA | CA6 | OA6 | 117.5° | 120.9° |
CA | CG1 | CB1 | 111.4° | 109.4° |
CA | CG1 | CG2 | 115.2° | 109.5° |
CA | CG1 | HG1 | 105.5° | 109.5° |
OA2 | CA2 | OA3 | 116.3° | 119.7° |
CA2 | OA3 | CA4 | 116.2° | 121.3° |
OA3 | CA4 | CA5 | 123.9° | 120.6° |
OA3 | CA4 | CD1 | 112.9° | 121.1° |
CA5 | CA4 | CD1 | 123.2° | 118.3° |
CA4 | CA5 | CA6 | 118.2° | 120.6° |
CA4 | CA5 | CD6 | 121.0° | 117.5° |
CA4 | CD1 | CD2 | 117.2° | 108.9° |
CA4 | CD1 | HD11 | 109.4° | 109.6° |
CA4 | CD1 | HD12 | 109.4° | 109.5° |
CA6 | CA5 | CD6 | 120.7° | 122.0° |
CA5 | CA6 | OA6 | 122.9° | 120.9° |
CA5 | CD6 | CD5 | 114.3° | 112.4° |
CA5 | CD6 | HD61 | 110.5° | 108.9° |
CA5 | CD6 | HD62 | 110.4° | 108.9° |
CA6 | OA6 | HO6 | 117.4° | 106.8° |
CB2 | CB1 | CB6 | 119.7° | 120.0° |
CB2 | CB1 | CG1 | 120.1° | 120.0° |
CB1 | CB2 | CB3 | 119.6° | 120.0° |
CB1 | CB2 | HB2 | 121.2° | 120.0° |
CB6 | CB1 | CG1 | 120.1° | 120.0° |
CB1 | CB6 | CB5 | 119.4° | 120.0° |
CB1 | CB6 | HB6 | 121.6° | 120.0° |
CB1 | CG1 | CG2 | 113.8° | 109.5° |
CB1 | CG1 | HG1 | 107.2° | 109.5° |
CB3 | CB2 | HB2 | 119.2° | 120.0° |
CB2 | CB3 | CB4 | 120.4° | 120.0° |
CB2 | CB3 | HB3 | 119.6° | 120.0° |
CB4 | CB3 | HB3 | 119.9° | 120.0° |
CB3 | CB4 | CB5 | 120.4° | 120.0° |
CB3 | CB4 | HB4 | 119.7° | 120.0° |
CB5 | CB4 | HB4 | 119.9° | 120.0° |
CB4 | CB5 | CB6 | 120.4° | 120.0° |
CB4 | CB5 | HB5 | 120.1° | 119.9° |
CB6 | CB5 | HB5 | 119.4° | 120.0° |
CB5 | CB6 | HB6 | 119.0° | 120.0° |
CG2 | CG1 | HG1 | 102.6° | 109.5° |
CG1 | CG2 | CG3 | 114.5° | 109.5° |
CG1 | CG2 | HG21 | 110.3° | 109.5° |
CG1 | CG2 | HG22 | 110.3° | 109.5° |
CG3 | CG2 | HG21 | 110.4° | 109.5° |
CG3 | CG2 | HG22 | 110.4° | 109.4° |
CG2 | CG3 | HG31 | 114.5° | 109.5° |
CG2 | CG3 | HG32 | 110.3° | 109.5° |
CG2 | CG3 | HG33 | 110.3° | 109.5° |
HG21 | CG2 | HG22 | 99.8° | 109.5° |
HG31 | CG3 | HG32 | 110.4° | 109.5° |
HG31 | CG3 | HG33 | 110.4° | 109.4° |
HG32 | CG3 | HG33 | 99.9° | 109.5° |
CD2 | CD1 | HD11 | 109.5° | 109.6° |
CD2 | CD1 | HD12 | 109.5° | 109.6° |
CD1 | CD2 | CD3 | 116.4° | 108.6° |
CD1 | CD2 | HD21 | 109.7° | 109.6° |
CD1 | CD2 | HD22 | 109.7° | 109.6° |
HD11 | CD1 | HD12 | 100.7° | 109.6° |
CD3 | CD2 | HD21 | 109.7° | 109.6° |
CD3 | CD2 | HD22 | 109.7° | 109.6° |
CD2 | CD3 | CD4 | 116.1° | 107.8° |
CD2 | CD3 | HD31 | 109.8° | 109.8° |
CD2 | CD3 | HD32 | 109.8° | 109.8° |
HD21 | CD2 | HD22 | 100.5° | 109.8° |
CD4 | CD3 | HD31 | 109.8° | 109.8° |
CD4 | CD3 | HD32 | 109.8° | 109.8° |
CD3 | CD4 | CD5 | 115.6° | 110.5° |
CD3 | CD4 | HD41 | 110.0° | 109.2° |
CD3 | CD4 | HD42 | 110.0° | 109.3° |
HD31 | CD3 | HD32 | 100.5° | 109.8° |
CD5 | CD4 | HD41 | 110.0° | 109.3° |
CD5 | CD4 | HD42 | 110.0° | 109.3° |
CD4 | CD5 | CD6 | 116.1° | 118.0° |
CD4 | CD5 | HD51 | 109.8° | 107.7° |
CD4 | CD5 | HD52 | 109.8° | 107.8° |
HD41 | CD4 | HD42 | 100.2° | 109.3° |
CD6 | CD5 | HD51 | 109.8° | 107.7° |
CD6 | CD5 | HD52 | 109.8° | 107.7° |
CD5 | CD6 | HD61 | 110.4° | 108.9° |
CD5 | CD6 | HD62 | 110.4° | 108.8° |
HD51 | CD5 | HD52 | 100.4° | 107.5° |
HD61 | CD6 | HD62 | 99.8° | 108.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA2 | CA | CA6 | CG1 | 178.7° | 179.8° |
CA | CA2 | OA2 | OA3 | 177.5° | 179.5° |
CA | CA2 | OA3 | CA4 | 0.5° | 0.4° |
CA2 | CA | CA6 | CA5 | 0.2° | 0.3° |
CA2 | CA | CA6 | OA6 | 179.2° | 179.8° |
CA2 | CA | CG1 | CB1 | 78.6° | 74.1° |
CA2 | CA | CG1 | CG2 | 52.9° | 45.9° |
CA2 | CA | CG1 | HG1 | 165.3° | 165.9° |
CA6 | CA | CA2 | OA2 | 177.5° | 179.9° |
CA6 | CA | CA2 | OA3 | 0.1° | 0.6° |
CA | CA6 | CA5 | CA4 | 0.5° | 0.3° |
CA | CA6 | CA5 | OA6 | 179.0° | 179.9° |
CA | CA6 | CA5 | CD6 | 179.4° | 179.2° |
CA | CA6 | OA6 | HO6 | 179.9° | 3.8° |
CA6 | CA | CG1 | CB1 | 102.7° | 105.7° |
CA6 | CA | CG1 | CG2 | 125.8° | 134.3° |
CA6 | CA | CG1 | HG1 | 13.4° | 14.3° |
CG1 | CA | CA2 | OA2 | 3.8° | 0.2° |
CG1 | CA | CA2 | OA3 | 178.8° | 179.7° |
CG1 | CA | CA6 | CA5 | 178.9° | 180.0° |
CG1 | CA | CA6 | OA6 | 2.1° | 0.0° |
CA | CG1 | CB1 | CB2 | 59.1° | 97.9° |
CA | CG1 | CB1 | CB6 | 119.0° | 82.4° |
CA | CG1 | CB1 | CG2 | 132.3° | 120.0° |
CA | CG1 | CB1 | HG1 | 115.0° | 120.0° |
CA | CG1 | CG2 | HG1 | 114.1° | 120.0° |
CA | CG1 | CG2 | CG3 | 77.3° | 174.4° |
CA | CG1 | CG2 | HG21 | 48.0° | 65.6° |
CA | CG1 | CG2 | HG22 | 157.4° | 54.4° |
OA2 | CA2 | OA3 | CA4 | 177.0° | 179.9° |
CA2 | OA3 | CA4 | CA5 | 1.2° | 0.2° |
CA2 | OA3 | CA4 | CD1 | 179.5° | 179.7° |
OA3 | CA4 | CA5 | CD1 | 178.1° | 179.9° |
OA3 | CA4 | CA5 | CA6 | 1.2° | 0.5° |
OA3 | CA4 | CA5 | CD6 | 179.9° | 179.0° |
OA3 | CA4 | CD1 | CD2 | 99.7° | 76.1° |
OA3 | CA4 | CD1 | HD11 | 25.6° | 164.1° |
OA3 | CA4 | CD1 | HD12 | 135.0° | 43.8° |
CA4 | CA5 | CA6 | CD6 | 178.9° | 179.5° |
CA4 | CA5 | CA6 | OA6 | 178.5° | 179.7° |
CA5 | CA4 | CD1 | CD2 | 82.0° | 103.8° |
CA5 | CA4 | CD1 | HD11 | 152.7° | 16.0° |
CA5 | CA4 | CD1 | HD12 | 43.3° | 136.3° |
CA4 | CA5 | CD6 | CD5 | 89.6° | 83.8° |
CA4 | CA5 | CD6 | HD61 | 35.7° | 155.4° |
CA4 | CA5 | CD6 | HD62 | 145.1° | 36.9° |
CD1 | CA4 | CA5 | CA6 | 179.3° | 179.4° |
CD1 | CA4 | CA5 | CD6 | 1.8° | 1.1° |
CA4 | CD1 | CD2 | HD11 | 125.3° | 119.9° |
CA4 | CD1 | CD2 | HD12 | 125.2° | 119.8° |
CA4 | CD1 | HD11 | HD12 | 115.1° | 120.3° |
CA4 | CD1 | CD2 | CD3 | 75.8° | 57.7° |
CA4 | CD1 | CD2 | HD21 | 49.4° | 177.5° |
CA4 | CD1 | CD2 | HD22 | 158.9° | 62.0° |
CA5 | CA6 | OA6 | HO6 | 1.0° | 176.3° |
CA6 | CA5 | CD6 | CD5 | 89.2° | 96.7° |
CA6 | CA5 | CD6 | HD61 | 145.5° | 24.1° |
CA6 | CA5 | CD6 | HD62 | 36.0° | 142.6° |
CD6 | CA5 | CA6 | OA6 | 0.4° | 0.8° |
CA5 | CD6 | CD5 | CD4 | 51.9° | 79.0° |
CA5 | CD6 | CD5 | HD61 | 125.3° | 120.8° |
CA5 | CD6 | CD5 | HD62 | 125.2° | 120.7° |
CA5 | CD6 | CD5 | HD51 | 73.3° | 158.8° |
CA5 | CD6 | CD5 | HD52 | 177.2° | 43.1° |
CA5 | CD6 | HD61 | HD62 | 116.3° | 118.5° |
CB2 | CB1 | CB6 | CG1 | 178.1° | 179.7° |
CB1 | CB2 | CB3 | HB2 | 180.0° | 180.0° |
CB1 | CB2 | CB3 | CB4 | 0.5° | 0.0° |
CB1 | CB2 | CB3 | HB3 | 179.5° | 179.9° |
CB2 | CB1 | CB6 | CB5 | 0.9° | 0.5° |
CB2 | CB1 | CB6 | HB6 | 179.1° | 179.9° |
CB2 | CB1 | CG1 | CG2 | 168.6° | 142.0° |
CB2 | CB1 | CG1 | HG1 | 55.9° | 22.0° |
CB6 | CB1 | CB2 | CB3 | 0.7° | 0.3° |
CB6 | CB1 | CB2 | HB2 | 179.2° | 179.7° |
CB1 | CB6 | CB5 | CB4 | 0.9° | 0.4° |
CB1 | CB6 | CB5 | HB6 | 180.0° | 179.6° |
CB1 | CB6 | CB5 | HB5 | 179.1° | 179.7° |
CB6 | CB1 | CG1 | CG2 | 13.3° | 37.6° |
CB6 | CB1 | CG1 | HG1 | 126.0° | 157.6° |
CG1 | CB1 | CB2 | CB3 | 177.4° | 180.0° |
CG1 | CB1 | CB2 | HB2 | 2.6° | 0.0° |
CG1 | CB1 | CB6 | CB5 | 177.2° | 179.8° |
CG1 | CB1 | CB6 | HB6 | 2.8° | 0.3° |
CB1 | CG1 | CG2 | HG1 | 115.5° | 120.0° |
CB1 | CG1 | CG2 | CG3 | 152.4° | 65.6° |
CB1 | CG1 | CG2 | HG21 | 82.3° | 54.4° |
CB1 | CG1 | CG2 | HG22 | 27.0° | 174.4° |
CB2 | CB3 | CB4 | HB3 | 180.0° | 180.0° |
CB2 | CB3 | CB4 | CB5 | 0.5° | 0.0° |
CB2 | CB3 | CB4 | HB4 | 179.4° | 179.9° |
HB2 | CB2 | CB3 | CB4 | 179.4° | 180.0° |
HB2 | CB2 | CB3 | HB3 | 0.6° | 0.1° |
CB3 | CB4 | CB5 | HB4 | 179.9° | 180.0° |
CB3 | CB4 | CB5 | CB6 | 0.8° | 0.2° |
CB3 | CB4 | CB5 | HB5 | 179.3° | 180.0° |
HB3 | CB3 | CB4 | CB5 | 179.5° | 180.0° |
HB3 | CB3 | CB4 | HB4 | 0.6° | 0.0° |
CB4 | CB5 | CB6 | HB5 | 180.0° | 179.8° |
CB4 | CB5 | CB6 | HB6 | 179.1° | 180.0° |
HB4 | CB4 | CB5 | CB6 | 179.2° | 179.8° |
HB4 | CB4 | CB5 | HB5 | 0.8° | 0.0° |
HB5 | CB5 | CB6 | HB6 | 0.9° | 0.2° |
CG1 | CG2 | CG3 | HG21 | 125.3° | 120.0° |
CG1 | CG2 | CG3 | HG22 | 125.3° | 120.0° |
CG1 | CG2 | HG21 | HG22 | 116.1° | 120.0° |
CG1 | CG2 | CG3 | HG31 | 180.0° | 180.0° |
CG1 | CG2 | CG3 | HG32 | 54.8° | 60.0° |
CG1 | CG2 | CG3 | HG33 | 54.7° | 60.0° |
HG1 | CG1 | CG2 | CG3 | 36.9° | 54.4° |
HG1 | CG1 | CG2 | HG21 | 162.2° | 174.4° |
HG1 | CG1 | CG2 | HG22 | 88.5° | 65.6° |
CG3 | CG2 | HG21 | HG22 | 116.2° | 120.0° |
CG2 | CG3 | HG31 | HG32 | 125.2° | 120.0° |
CG2 | CG3 | HG31 | HG33 | 125.3° | 120.0° |
CG2 | CG3 | HG32 | HG33 | 116.2° | 120.1° |
HG21 | CG2 | CG3 | HG31 | 54.7° | 60.0° |
HG21 | CG2 | CG3 | HG32 | 180.0° | 60.0° |
HG21 | CG2 | CG3 | HG33 | 70.5° | 180.0° |
HG22 | CG2 | CG3 | HG31 | 54.7° | 60.0° |
HG22 | CG2 | CG3 | HG32 | 70.5° | 180.0° |
HG22 | CG2 | CG3 | HG33 | 180.0° | 60.0° |
HG31 | CG3 | HG32 | HG33 | 116.3° | 120.0° |
CD2 | CD1 | HD11 | HD12 | 115.2° | 120.3° |
CD1 | CD2 | CD3 | HD21 | 125.2° | 119.7° |
CD1 | CD2 | CD3 | HD22 | 125.3° | 119.7° |
CD1 | CD2 | HD21 | HD22 | 115.5° | 120.4° |
CD1 | CD2 | CD3 | CD4 | 70.9° | 56.9° |
CD1 | CD2 | CD3 | HD31 | 163.9° | 176.4° |
CD1 | CD2 | CD3 | HD32 | 54.3° | 62.7° |
HD11 | CD1 | CD2 | CD3 | 158.9° | 62.1° |
HD11 | CD1 | CD2 | HD21 | 75.9° | 57.6° |
HD11 | CD1 | CD2 | HD22 | 33.6° | 178.1° |
HD12 | CD1 | CD2 | CD3 | 49.4° | 177.6° |
HD12 | CD1 | CD2 | HD21 | 174.6° | 62.7° |
HD12 | CD1 | CD2 | HD22 | 75.9° | 57.8° |
CD3 | CD2 | HD21 | HD22 | 115.5° | 120.4° |
CD2 | CD3 | CD4 | HD31 | 125.2° | 119.6° |
CD2 | CD3 | CD4 | HD32 | 125.3° | 119.6° |
CD2 | CD3 | HD31 | HD32 | 115.6° | 120.8° |
CD2 | CD3 | CD4 | CD5 | 100.1° | 106.8° |
CD2 | CD3 | CD4 | HD41 | 25.1° | 13.4° |
CD2 | CD3 | CD4 | HD42 | 134.6° | 132.9° |
HD21 | CD2 | CD3 | CD4 | 54.3° | 62.9° |
HD21 | CD2 | CD3 | HD31 | 70.9° | 56.7° |
HD21 | CD2 | CD3 | HD32 | 179.6° | 177.5° |
HD22 | CD2 | CD3 | CD4 | 163.8° | 176.6° |
HD22 | CD2 | CD3 | HD31 | 38.6° | 63.8° |
HD22 | CD2 | CD3 | HD32 | 71.0° | 57.0° |
CD4 | CD3 | HD31 | HD32 | 115.6° | 120.8° |
CD3 | CD4 | CD5 | HD41 | 125.3° | 120.2° |
CD3 | CD4 | CD5 | HD42 | 125.3° | 120.3° |
CD3 | CD4 | HD41 | HD42 | 115.9° | 119.5° |
CD3 | CD4 | CD5 | CD6 | 54.0° | 74.7° |
CD3 | CD4 | CD5 | HD51 | 179.2° | 163.1° |
CD3 | CD4 | CD5 | HD52 | 71.3° | 47.4° |
HD31 | CD3 | CD4 | CD5 | 134.6° | 133.6° |
HD31 | CD3 | CD4 | HD41 | 100.1° | 106.2° |
HD31 | CD3 | CD4 | HD42 | 9.4° | 13.3° |
HD32 | CD3 | CD4 | CD5 | 25.1° | 12.8° |
HD32 | CD3 | CD4 | HD41 | 150.4° | 133.0° |
HD32 | CD3 | CD4 | HD42 | 100.1° | 107.5° |
CD5 | CD4 | HD41 | HD42 | 115.7° | 119.5° |
CD4 | CD5 | CD6 | HD51 | 125.3° | 122.2° |
CD4 | CD5 | CD6 | HD52 | 125.3° | 122.2° |
CD4 | CD5 | HD51 | HD52 | 115.6° | 115.9° |
CD4 | CD5 | CD6 | HD61 | 73.4° | 160.2° |
CD4 | CD5 | CD6 | HD62 | 177.2° | 41.7° |
HD41 | CD4 | CD5 | CD6 | 71.3° | 45.5° |
HD41 | CD4 | CD5 | HD51 | 53.9° | 76.7° |
HD41 | CD4 | CD5 | HD52 | 163.4° | 167.6° |
HD42 | CD4 | CD5 | CD6 | 179.3° | 165.0° |
HD42 | CD4 | CD5 | HD51 | 55.5° | 42.8° |
HD42 | CD4 | CD5 | HD52 | 54.0° | 72.9° |
CD6 | CD5 | HD51 | HD52 | 115.6° | 115.8° |
CD5 | CD6 | HD61 | HD62 | 116.3° | 118.5° |
HD51 | CD5 | CD6 | HD61 | 161.4° | 38.0° |
HD51 | CD5 | CD6 | HD62 | 51.9° | 80.5° |
HD52 | CD5 | CD6 | HD61 | 51.9° | 77.7° |
HD52 | CD5 | CD6 | HD62 | 57.5° | 163.8° |