3PK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA1 | OA1 | doub | 1.21Å | 1.23Å | |
| CA1 | CA2 | sing | 1.51Å | 1.50Å | |
| CA2 | CA3 | sing | 1.53Å | 1.50Å | |
| CA2 | H1A2 | sing | 1.09Å | 1.10Å | |
| CA2 | H2A2 | sing | 1.09Å | 1.10Å | |
| CA3 | CA4 | sing | 1.53Å | 1.50Å | |
| CA3 | H1A3 | sing | 1.09Å | 1.10Å | |
| CA3 | H2A3 | sing | 1.09Å | 1.10Å | |
| CA4 | CA5 | sing | 1.53Å | 1.48Å | |
| CA4 | H1A4 | sing | 1.09Å | 1.10Å | |
| CA4 | H2A4 | sing | 1.09Å | 1.10Å | |
| CA5 | H1A5 | sing | 1.09Å | 1.10Å | |
| CA5 | H2A5 | sing | 1.09Å | 1.10Å | |
| CA5 | H3A5 | sing | 1.09Å | 1.10Å | |
| CB1 | OB1 | doub | 1.21Å | 1.22Å | |
| CB1 | CB2 | sing | 1.51Å | 1.52Å | |
| CB2 | CB3 | sing | 1.53Å | 1.50Å | |
| CB2 | H1B2 | sing | 1.09Å | 1.10Å | |
| CB2 | H2B2 | sing | 1.09Å | 1.10Å | |
| CB3 | CB4 | sing | 1.53Å | 1.51Å | |
| CB3 | H1B3 | sing | 1.09Å | 1.10Å | |
| CB3 | H2B3 | sing | 1.09Å | 1.10Å | |
| CB4 | CB5 | sing | 1.53Å | 1.38Å | |
| CB4 | HB4 | sing | 1.09Å | 1.10Å | |
| CB5 | CB6 | sing | 1.53Å | 1.51Å | |
| CB5 | HB5 | sing | 1.09Å | 1.10Å | |
| CB6 | H1B6 | sing | 1.09Å | 1.10Å | |
| CB6 | H2B6 | sing | 1.09Å | 1.10Å | |
| CB6 | H3B6 | sing | 1.09Å | 1.10Å | |
| CG1 | OG1 | sing | 1.45Å | 1.40Å | |
| CG1 | H1G1 | sing | 1.09Å | 1.10Å | |
| CG1 | H2G1 | sing | 1.09Å | 1.10Å | |
| OG1 | CA1 | sing | 1.34Å | 1.39Å | |
| CG2 | CG1 | sing | 1.53Å | 1.51Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| OG2 | CG2 | sing | 1.45Å | 1.39Å | |
| OG2 | CB1 | sing | 1.34Å | 1.40Å | |
| CG3 | CG2 | sing | 1.53Å | 1.49Å | |
| CG3 | H1G3 | sing | 1.09Å | 1.10Å | |
| CG3 | H2G3 | sing | 1.09Å | 1.10Å | |
| CG3 | H3G3 | sing | 1.09Å | 1.10Å | |
| CB4 | H25 | sing | 1.09Å | 1.10Å | |
| CB5 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA1 | CA1 | CA2 | 119.4° | 120.0° |
| OA1 | CA1 | OG1 | 118.5° | 120.0° |
| CA1 | CA2 | CA3 | 118.5° | 109.5° |
| CA1 | CA2 | H1A2 | 106.6° | 109.4° |
| CA1 | CA2 | H2A2 | 106.6° | 109.5° |
| CA2 | CA1 | OG1 | 120.6° | 120.0° |
| CA3 | CA2 | H1A2 | 106.6° | 109.4° |
| CA3 | CA2 | H2A2 | 106.6° | 109.5° |
| CA2 | CA3 | CA4 | 119.1° | 109.5° |
| CA2 | CA3 | H1A3 | 106.4° | 109.4° |
| CA2 | CA3 | H2A3 | 106.4° | 109.5° |
| H1A2 | CA2 | H2A2 | 112.2° | 109.5° |
| CA4 | CA3 | H1A3 | 106.4° | 109.4° |
| CA4 | CA3 | H2A3 | 106.4° | 109.5° |
| CA3 | CA4 | CA5 | 117.2° | 109.5° |
| CA3 | CA4 | H1A4 | 107.0° | 109.5° |
| CA3 | CA4 | H2A4 | 107.0° | 109.5° |
| H1A3 | CA3 | H2A3 | 112.4° | 109.5° |
| CA5 | CA4 | H1A4 | 107.0° | 109.5° |
| CA5 | CA4 | H2A4 | 107.0° | 109.5° |
| CA4 | CA5 | H1A5 | 109.5° | 109.5° |
| CA4 | CA5 | H2A5 | 109.4° | 109.4° |
| CA4 | CA5 | H3A5 | 109.5° | 109.5° |
| H1A4 | CA4 | H2A4 | 111.8° | 109.4° |
| H1A5 | CA5 | H2A5 | 109.5° | 109.5° |
| H1A5 | CA5 | H3A5 | 109.4° | 109.5° |
| H2A5 | CA5 | H3A5 | 109.5° | 109.4° |
| OB1 | CB1 | CB2 | 120.7° | 120.0° |
| OB1 | CB1 | OG2 | 119.1° | 120.0° |
| CB1 | CB2 | CB3 | 118.3° | 109.5° |
| CB1 | CB2 | H1B2 | 106.6° | 109.5° |
| CB1 | CB2 | H2B2 | 106.6° | 109.4° |
| CB2 | CB1 | OG2 | 118.8° | 120.0° |
| CB3 | CB2 | H1B2 | 106.6° | 109.5° |
| CB3 | CB2 | H2B2 | 106.6° | 109.5° |
| CB2 | CB3 | CB4 | 117.5° | 109.4° |
| CB2 | CB3 | H1B3 | 106.9° | 109.5° |
| CB2 | CB3 | H2B3 | 106.9° | 109.5° |
| H1B2 | CB2 | H2B2 | 112.2° | 109.4° |
| CB4 | CB3 | H1B3 | 106.9° | 109.5° |
| CB4 | CB3 | H2B3 | 106.9° | 109.5° |
| CB3 | CB4 | CB5 | 120.7° | 109.4° |
| CB3 | CB4 | HB4 | 105.9° | 109.5° |
| CB3 | CB4 | H25 | 105.9° | 109.5° |
| H1B3 | CB3 | H2B3 | 112.0° | 109.5° |
| CB5 | CB4 | HB4 | 105.9° | 109.5° |
| CB4 | CB5 | CB6 | 120.5° | 109.4° |
| CB4 | CB5 | HB5 | 106.0° | 109.4° |
| CB5 | CB4 | H25 | 105.9° | 109.5° |
| CB4 | CB5 | H26 | 106.0° | 109.4° |
| HB4 | CB4 | H25 | 112.8° | 109.5° |
| CB6 | CB5 | HB5 | 106.0° | 109.5° |
| CB5 | CB6 | H1B6 | 109.5° | 109.5° |
| CB5 | CB6 | H2B6 | 109.5° | 109.5° |
| CB5 | CB6 | H3B6 | 109.5° | 109.5° |
| CB6 | CB5 | H26 | 106.0° | 109.5° |
| HB5 | CB5 | H26 | 112.7° | 109.5° |
| H1B6 | CB6 | H2B6 | 109.4° | 109.5° |
| H1B6 | CB6 | H3B6 | 109.4° | 109.4° |
| H2B6 | CB6 | H3B6 | 109.5° | 109.4° |
| OG1 | CG1 | H1G1 | 106.8° | 109.4° |
| OG1 | CG1 | H2G1 | 106.9° | 109.4° |
| CG1 | OG1 | CA1 | 116.0° | 117.1° |
| OG1 | CG1 | CG2 | 117.6° | 109.5° |
| H1G1 | CG1 | H2G1 | 112.0° | 109.4° |
| H1G1 | CG1 | CG2 | 106.9° | 109.5° |
| H2G1 | CG1 | CG2 | 106.8° | 109.5° |
| CG1 | CG2 | HG2 | 111.9° | 109.5° |
| CG1 | CG2 | OG2 | 108.7° | 109.5° |
| CG1 | CG2 | CG3 | 107.9° | 109.5° |
| HG2 | CG2 | OG2 | 107.9° | 109.5° |
| HG2 | CG2 | CG3 | 108.6° | 109.4° |
| CG2 | OG2 | CB1 | 119.8° | 117.0° |
| OG2 | CG2 | CG3 | 112.0° | 109.5° |
| CG2 | CG3 | H1G3 | 109.5° | 109.4° |
| CG2 | CG3 | H2G3 | 109.4° | 109.5° |
| CG2 | CG3 | H3G3 | 109.4° | 109.5° |
| H1G3 | CG3 | H2G3 | 109.5° | 109.5° |
| H1G3 | CG3 | H3G3 | 109.5° | 109.4° |
| H2G3 | CG3 | H3G3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA1 | CA1 | CA2 | OG1 | 165.7° | 179.7° |
| OA1 | CA1 | CA2 | CA3 | 112.7° | 0.0° |
| OA1 | CA1 | CA2 | H1A2 | 7.3° | 120.0° |
| OA1 | CA1 | CA2 | H2A2 | 127.3° | 120.0° |
| OA1 | CA1 | OG1 | CG1 | 7.5° | 0.1° |
| CA1 | CA2 | CA3 | H1A2 | 120.0° | 120.0° |
| CA1 | CA2 | CA3 | H2A2 | 120.0° | 120.1° |
| CA1 | CA2 | H1A2 | H2A2 | 116.3° | 120.0° |
| CA1 | CA2 | CA3 | CA4 | 154.7° | 180.0° |
| CA1 | CA2 | CA3 | H1A3 | 85.3° | 60.1° |
| CA1 | CA2 | CA3 | H2A3 | 34.7° | 59.9° |
| CA2 | CA1 | OG1 | CG1 | 173.3° | 179.8° |
| CA3 | CA2 | H1A2 | H2A2 | 116.3° | 120.0° |
| CA2 | CA3 | CA4 | H1A3 | 120.0° | 119.9° |
| CA2 | CA3 | CA4 | H2A3 | 120.0° | 120.1° |
| CA2 | CA3 | H1A3 | H2A3 | 116.1° | 120.0° |
| CA2 | CA3 | CA4 | CA5 | 83.5° | 179.9° |
| CA2 | CA3 | CA4 | H1A4 | 36.5° | 60.0° |
| CA2 | CA3 | CA4 | H2A4 | 156.5° | 59.9° |
| CA3 | CA2 | CA1 | OG1 | 53.0° | 179.7° |
| H1A2 | CA2 | CA3 | CA4 | 34.7° | 60.0° |
| H1A2 | CA2 | CA3 | H1A3 | 154.6° | 180.0° |
| H1A2 | CA2 | CA3 | H2A3 | 85.3° | 60.0° |
| H1A2 | CA2 | CA1 | OG1 | 173.0° | 59.7° |
| H2A2 | CA2 | CA3 | CA4 | 85.3° | 60.0° |
| H2A2 | CA2 | CA3 | H1A3 | 34.7° | 60.0° |
| H2A2 | CA2 | CA3 | H2A3 | 154.7° | 180.0° |
| H2A2 | CA2 | CA1 | OG1 | 67.0° | 60.2° |
| CA4 | CA3 | H1A3 | H2A3 | 116.1° | 120.0° |
| CA3 | CA4 | CA5 | H1A4 | 120.0° | 120.0° |
| CA3 | CA4 | CA5 | H2A4 | 120.0° | 120.0° |
| CA3 | CA4 | H1A4 | H2A4 | 116.9° | 120.0° |
| CA3 | CA4 | CA5 | H1A5 | 180.0° | 60.0° |
| CA3 | CA4 | CA5 | H2A5 | 60.0° | 60.0° |
| CA3 | CA4 | CA5 | H3A5 | 60.0° | 180.0° |
| H1A3 | CA3 | CA4 | CA5 | 156.5° | 60.0° |
| H1A3 | CA3 | CA4 | H1A4 | 83.5° | 180.0° |
| H1A3 | CA3 | CA4 | H2A4 | 36.6° | 60.0° |
| H2A3 | CA3 | CA4 | CA5 | 36.5° | 60.0° |
| H2A3 | CA3 | CA4 | H1A4 | 156.5° | 60.0° |
| H2A3 | CA3 | CA4 | H2A4 | 83.5° | 180.0° |
| CA5 | CA4 | H1A4 | H2A4 | 116.8° | 120.0° |
| CA4 | CA5 | H1A5 | H2A5 | 120.0° | 120.0° |
| CA4 | CA5 | H1A5 | H3A5 | 120.0° | 120.0° |
| CA4 | CA5 | H2A5 | H3A5 | 120.0° | 120.0° |
| H1A4 | CA4 | CA5 | H1A5 | 60.0° | 180.0° |
| H1A4 | CA4 | CA5 | H2A5 | 180.0° | 60.0° |
| H1A4 | CA4 | CA5 | H3A5 | 60.0° | 59.9° |
| H2A4 | CA4 | CA5 | H1A5 | 60.0° | 60.0° |
| H2A4 | CA4 | CA5 | H2A5 | 60.0° | 180.0° |
| H2A4 | CA4 | CA5 | H3A5 | 180.0° | 60.0° |
| H1A5 | CA5 | H2A5 | H3A5 | 120.0° | 120.0° |
| OB1 | CB1 | CB2 | OG2 | 166.5° | 180.0° |
| OB1 | CB1 | CB2 | CB3 | 21.5° | 0.0° |
| OB1 | CB1 | CB2 | H1B2 | 141.5° | 120.0° |
| OB1 | CB1 | CB2 | H2B2 | 98.5° | 120.0° |
| OB1 | CB1 | OG2 | CG2 | 43.6° | 0.0° |
| CB1 | CB2 | CB3 | H1B2 | 120.0° | 120.1° |
| CB1 | CB2 | CB3 | H2B2 | 120.0° | 119.9° |
| CB1 | CB2 | H1B2 | H2B2 | 116.4° | 120.0° |
| CB1 | CB2 | CB3 | CB4 | 99.6° | 180.0° |
| CB1 | CB2 | CB3 | H1B3 | 140.4° | 60.0° |
| CB1 | CB2 | CB3 | H2B3 | 20.4° | 60.0° |
| CB2 | CB1 | OG2 | CG2 | 149.7° | 180.0° |
| CB3 | CB2 | H1B2 | H2B2 | 116.4° | 120.0° |
| CB2 | CB3 | CB4 | H1B3 | 120.0° | 120.0° |
| CB2 | CB3 | CB4 | H2B3 | 120.0° | 120.0° |
| CB2 | CB3 | H1B3 | H2B3 | 116.7° | 120.0° |
| CB2 | CB3 | CB4 | CB5 | 102.4° | 180.0° |
| CB2 | CB3 | CB4 | HB4 | 17.6° | 60.0° |
| CB3 | CB2 | CB1 | OG2 | 172.0° | 179.9° |
| CB2 | CB3 | CB4 | H25 | 137.6° | 60.0° |
| H1B2 | CB2 | CB3 | CB4 | 20.4° | 59.9° |
| H1B2 | CB2 | CB3 | H1B3 | 99.6° | 179.9° |
| H1B2 | CB2 | CB3 | H2B3 | 140.4° | 60.0° |
| H1B2 | CB2 | CB1 | OG2 | 52.0° | 60.0° |
| H2B2 | CB2 | CB3 | CB4 | 140.4° | 60.0° |
| H2B2 | CB2 | CB3 | H1B3 | 20.4° | 59.9° |
| H2B2 | CB2 | CB3 | H2B3 | 99.6° | 180.0° |
| H2B2 | CB2 | CB1 | OG2 | 68.0° | 60.0° |
| CB4 | CB3 | H1B3 | H2B3 | 116.7° | 120.0° |
| CB3 | CB4 | CB5 | HB4 | 120.0° | 120.0° |
| CB3 | CB4 | CB5 | H25 | 120.0° | 120.0° |
| CB3 | CB4 | HB4 | H25 | 115.4° | 120.0° |
| CB3 | CB4 | CB5 | CB6 | 132.0° | 180.0° |
| CB3 | CB4 | CB5 | HB5 | 108.0° | 60.0° |
| CB3 | CB4 | CB5 | H26 | 11.9° | 60.0° |
| H1B3 | CB3 | CB4 | CB5 | 137.6° | 60.0° |
| H1B3 | CB3 | CB4 | HB4 | 102.4° | 180.0° |
| H1B3 | CB3 | CB4 | H25 | 17.6° | 60.0° |
| H2B3 | CB3 | CB4 | CB5 | 17.6° | 60.0° |
| H2B3 | CB3 | CB4 | HB4 | 137.6° | 60.0° |
| H2B3 | CB3 | CB4 | H25 | 102.4° | 180.0° |
| CB5 | CB4 | HB4 | H25 | 115.4° | 120.0° |
| CB4 | CB5 | CB6 | HB5 | 120.0° | 119.9° |
| CB4 | CB5 | CB6 | H26 | 120.0° | 120.0° |
| CB4 | CB5 | HB5 | H26 | 115.4° | 120.0° |
| CB4 | CB5 | CB6 | H1B6 | 180.0° | 180.0° |
| CB4 | CB5 | CB6 | H2B6 | 60.0° | 60.0° |
| CB4 | CB5 | CB6 | H3B6 | 60.0° | 60.0° |
| HB4 | CB4 | CB5 | CB6 | 12.0° | 60.0° |
| HB4 | CB4 | CB5 | HB5 | 132.0° | 180.0° |
| HB4 | CB4 | CB5 | H26 | 108.1° | 60.0° |
| CB6 | CB5 | HB5 | H26 | 115.5° | 120.1° |
| CB5 | CB6 | H1B6 | H2B6 | 120.0° | 120.1° |
| CB5 | CB6 | H1B6 | H3B6 | 120.0° | 120.0° |
| CB5 | CB6 | H2B6 | H3B6 | 120.0° | 120.0° |
| CB6 | CB5 | CB4 | H25 | 108.0° | 60.0° |
| HB5 | CB5 | CB6 | H1B6 | 60.0° | 60.1° |
| HB5 | CB5 | CB6 | H2B6 | 180.0° | 179.9° |
| HB5 | CB5 | CB6 | H3B6 | 60.0° | 59.9° |
| HB5 | CB5 | CB4 | H25 | 12.0° | 60.0° |
| H1B6 | CB6 | H2B6 | H3B6 | 119.9° | 120.0° |
| H1B6 | CB6 | CB5 | H26 | 60.0° | 60.0° |
| H2B6 | CB6 | CB5 | H26 | 60.0° | 60.0° |
| H3B6 | CB6 | CB5 | H26 | 180.0° | 180.0° |
| OG1 | CG1 | H1G1 | H2G1 | 116.7° | 119.9° |
| OG1 | CG1 | H1G1 | CG2 | 126.6° | 120.0° |
| OG1 | CG1 | H2G1 | CG2 | 126.6° | 120.0° |
| OG1 | CG1 | CG2 | HG2 | 94.7° | 175.0° |
| OG1 | CG1 | CG2 | OG2 | 24.3° | 65.0° |
| OG1 | CG1 | CG2 | CG3 | 145.9° | 55.0° |
| H1G1 | CG1 | H2G1 | CG2 | 116.7° | 120.0° |
| H1G1 | CG1 | OG1 | CA1 | 131.5° | 60.0° |
| H1G1 | CG1 | CG2 | HG2 | 145.3° | 55.0° |
| H1G1 | CG1 | CG2 | OG2 | 95.7° | 175.0° |
| H1G1 | CG1 | CG2 | CG3 | 25.9° | 65.0° |
| H2G1 | CG1 | OG1 | CA1 | 11.4° | 59.9° |
| H2G1 | CG1 | CG2 | HG2 | 25.3° | 65.0° |
| H2G1 | CG1 | CG2 | OG2 | 144.3° | 55.0° |
| H2G1 | CG1 | CG2 | CG3 | 94.1° | 175.0° |
| CA1 | OG1 | CG1 | CG2 | 108.5° | 180.0° |
| CG1 | CG2 | HG2 | OG2 | 119.5° | 120.0° |
| CG1 | CG2 | HG2 | CG3 | 119.0° | 120.0° |
| CG1 | CG2 | OG2 | CG3 | 119.1° | 120.0° |
| CG1 | CG2 | OG2 | CB1 | 127.7° | 150.0° |
| CG1 | CG2 | CG3 | H1G3 | 180.0° | 60.0° |
| CG1 | CG2 | CG3 | H2G3 | 60.0° | 60.0° |
| CG1 | CG2 | CG3 | H3G3 | 60.0° | 179.9° |
| HG2 | CG2 | OG2 | CG3 | 119.4° | 119.9° |
| HG2 | CG2 | OG2 | CB1 | 6.2° | 29.9° |
| HG2 | CG2 | CG3 | H1G3 | 58.5° | 180.0° |
| HG2 | CG2 | CG3 | H2G3 | 178.5° | 60.1° |
| HG2 | CG2 | CG3 | H3G3 | 61.5° | 60.0° |
| OG2 | CG2 | CG3 | H1G3 | 60.4° | 60.0° |
| OG2 | CG2 | CG3 | H2G3 | 59.6° | 180.0° |
| OG2 | CG2 | CG3 | H3G3 | 179.5° | 59.9° |
| CB1 | OG2 | CG2 | CG3 | 113.2° | 90.0° |
| CG2 | CG3 | H1G3 | H2G3 | 120.0° | 120.0° |
| CG2 | CG3 | H1G3 | H3G3 | 120.0° | 120.0° |
| CG2 | CG3 | H2G3 | H3G3 | 119.9° | 120.1° |
| H1G3 | CG3 | H2G3 | H3G3 | 120.0° | 119.9° |
| H25 | CB4 | CB5 | H26 | 132.0° | 180.0° |
