3LM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O1 | doub | 1.22Å | 1.24Å | |
| C | CA | sing | 1.48Å | 1.46Å | |
| C | O2 | sing | 1.35Å | 1.25Å | |
| N | CA | sing | 1.40Å | 1.37Å | |
| N | C4A | sing | 1.46Å | 1.49Å | |
| P | OP1 | doub | 1.48Å | 1.50Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| P | OP3 | sing | 1.61Å | 1.51Å | |
| P | OP4 | sing | 1.61Å | 1.59Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.48Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.51Å | |
| C3 | O3 | sing | 1.36Å | 1.33Å | |
| C3 | C4 | doub | 1.39Å | 1.47Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.48Å | Aromatic |
| C4 | C4A | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.51Å | |
| CA | CB | doub | 1.34Å | 1.37Å | |
| CB | CG | sing | 1.51Å | 1.54Å | |
| SD | CE | sing | 1.81Å | 1.76Å | |
| SD | CG | sing | 1.81Å | 1.81Å | |
| C5A | OP4 | sing | 1.43Å | 1.42Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CB | HB | sing | 1.08Å | 1.08Å | |
| CE | HE | sing | 1.09Å | 1.10Å | |
| CE | HEA | sing | 1.09Å | 1.10Å | |
| CE | HEB | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| C4A | H4A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A | sing | 1.09Å | 1.10Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | CA | 122.5° | 120.0° |
| O1 | C | O2 | 120.3° | 120.0° |
| CA | C | O2 | 117.0° | 120.0° |
| C | CA | N | 112.1° | 120.0° |
| C | CA | CB | 124.4° | 120.0° |
| C | O2 | H2 | 109.5° | 117.0° |
| CA | N | C4A | 126.8° | 120.0° |
| N | CA | CB | 123.5° | 120.0° |
| CA | N | HN | 104.1° | 120.0° |
| N | C4A | C4 | 118.5° | 109.5° |
| C4A | N | HN | 104.0° | 120.0° |
| N | C4A | H4A | 106.6° | 109.5° |
| N | C4A | H4A1 | 106.6° | 109.5° |
| OP1 | P | OP2 | 114.7° | 109.4° |
| OP1 | P | OP3 | 116.4° | 109.4° |
| OP1 | P | OP4 | 107.9° | 109.5° |
| OP2 | P | OP3 | 113.3° | 109.5° |
| OP2 | P | OP4 | 99.6° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP3 | P | OP4 | 102.4° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| P | OP4 | C5A | 122.6° | 123.0° |
| C2 | N1 | C6 | 122.7° | 121.8° |
| N1 | C2 | C3 | 118.7° | 120.6° |
| N1 | C2 | C2A | 123.5° | 119.7° |
| N1 | C6 | C5 | 123.9° | 120.9° |
| N1 | C6 | H6 | 118.0° | 119.6° |
| C3 | C2 | C2A | 117.8° | 119.7° |
| C2 | C3 | O3 | 116.9° | 120.4° |
| C2 | C3 | C4 | 120.8° | 119.1° |
| C2 | C2A | H2A | 109.5° | 109.4° |
| C2 | C2A | H2A1 | 109.5° | 109.5° |
| C2 | C2A | H2A2 | 109.5° | 109.5° |
| O3 | C3 | C4 | 122.3° | 120.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 114.7° | 118.3° |
| C3 | C4 | C4A | 124.4° | 120.8° |
| C5 | C4 | C4A | 120.9° | 120.9° |
| C4 | C5 | C6 | 119.2° | 119.2° |
| C4 | C5 | C5A | 121.0° | 120.3° |
| C4 | C4A | H4A | 106.5° | 109.5° |
| C4 | C4A | H4A1 | 106.6° | 109.4° |
| C6 | C5 | C5A | 119.8° | 120.4° |
| C5 | C6 | H6 | 118.1° | 119.6° |
| C5 | C5A | OP4 | 112.1° | 109.5° |
| C5 | C5A | H5A | 108.6° | 109.5° |
| C5 | C5A | H5A1 | 108.6° | 109.5° |
| CA | CB | CG | 126.9° | 120.0° |
| CA | CB | HB | 116.6° | 120.0° |
| CB | CG | SD | 116.1° | 109.5° |
| CG | CB | HB | 116.5° | 120.0° |
| CB | CG | HG | 107.3° | 109.5° |
| CB | CG | HGA | 107.3° | 109.4° |
| CE | SD | CG | 112.0° | 103.0° |
| SD | CE | HE | 109.5° | 109.5° |
| SD | CE | HEA | 109.5° | 109.5° |
| SD | CE | HEB | 109.5° | 109.5° |
| SD | CG | HG | 107.3° | 109.5° |
| SD | CG | HGA | 107.3° | 109.5° |
| OP4 | C5A | H5A | 108.6° | 109.4° |
| OP4 | C5A | H5A1 | 108.6° | 109.5° |
| HE | CE | HEA | 109.4° | 109.5° |
| HE | CE | HEB | 109.5° | 109.5° |
| HEA | CE | HEB | 109.5° | 109.4° |
| HG | CG | HGA | 111.5° | 109.4° |
| H2A | C2A | H2A1 | 109.5° | 109.5° |
| H2A | C2A | H2A2 | 109.5° | 109.5° |
| H2A1 | C2A | H2A2 | 109.5° | 109.5° |
| H4A | C4A | H4A1 | 112.2° | 109.4° |
| H5A | C5A | H5A1 | 110.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | CA | O2 | 176.5° | 179.8° |
| O1 | C | CA | N | 140.2° | 85.2° |
| O1 | C | CA | CB | 42.1° | 94.8° |
| O1 | C | O2 | H2 | 0.0° | 0.1° |
| C | CA | N | CB | 177.7° | 180.0° |
| C | CA | N | C4A | 175.8° | 0.0° |
| C | CA | CB | CG | 0.1° | 5.4° |
| C | CA | N | HN | 64.2° | 180.0° |
| C | CA | CB | HB | 179.9° | 174.6° |
| CA | C | O2 | H2 | 176.6° | 179.7° |
| O2 | C | CA | N | 36.3° | 94.6° |
| O2 | C | CA | CB | 141.4° | 85.4° |
| CA | N | C4A | HN | 120.0° | 180.0° |
| CA | N | C4A | C4 | 162.4° | 180.0° |
| N | CA | CB | CG | 177.5° | 174.6° |
| N | CA | CB | HB | 2.5° | 5.4° |
| CA | N | C4A | H4A | 42.4° | 60.0° |
| CA | N | C4A | H4A1 | 77.6° | 60.0° |
| N | C4A | C4 | C3 | 11.0° | 90.0° |
| N | C4A | C4 | C5 | 167.8° | 90.0° |
| N | C4A | C4 | H4A | 120.0° | 120.1° |
| N | C4A | C4 | H4A1 | 120.0° | 120.0° |
| C4A | N | CA | CB | 1.9° | 180.0° |
| N | C4A | H4A | H4A1 | 116.3° | 120.0° |
| OP1 | P | OP2 | OP3 | 137.0° | 119.9° |
| OP1 | P | OP2 | OP4 | 114.9° | 120.0° |
| OP1 | P | OP3 | OP4 | 117.4° | 120.0° |
| OP1 | P | OP4 | C5A | 52.8° | 55.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
| OP2 | P | OP3 | OP4 | 106.3° | 120.0° |
| OP2 | P | OP4 | C5A | 67.2° | 175.0° |
| OP2 | P | OP3 | HOP3 | 136.3° | 60.0° |
| OP3 | P | OP4 | C5A | 176.1° | 65.0° |
| OP3 | P | OP2 | HOP2 | 137.1° | 59.9° |
| P | OP4 | C5A | C5 | 155.9° | 180.0° |
| P | OP4 | C5A | H5A | 84.1° | 60.0° |
| P | OP4 | C5A | H5A1 | 35.8° | 60.0° |
| OP4 | P | OP2 | HOP2 | 114.9° | 179.9° |
| OP4 | P | OP3 | HOP3 | 117.4° | 60.0° |
| N1 | C2 | C3 | C2A | 178.6° | 180.0° |
| N1 | C2 | C3 | O3 | 180.0° | 180.0° |
| N1 | C2 | C3 | C4 | 1.2° | 0.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| C2 | N1 | C6 | H6 | 179.4° | 180.0° |
| N1 | C2 | C2A | H2A | 0.0° | 90.0° |
| N1 | C2 | C2A | H2A1 | 120.0° | 150.0° |
| N1 | C2 | C2A | H2A2 | 120.0° | 30.0° |
| C6 | N1 | C2 | C3 | 1.1° | 0.0° |
| C6 | N1 | C2 | C2A | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5A | 178.8° | 180.0° |
| C2 | C3 | O3 | C4 | 178.8° | 179.9° |
| C2 | C3 | C4 | C5 | 0.7° | 0.1° |
| C2 | C3 | C4 | C4A | 178.1° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.1° |
| C3 | C2 | C2A | H2A | 178.6° | 90.0° |
| C3 | C2 | C2A | H2A1 | 58.6° | 30.0° |
| C3 | C2 | C2A | H2A2 | 61.4° | 150.0° |
| C2A | C2 | C3 | O3 | 1.4° | 0.0° |
| C2A | C2 | C3 | C4 | 179.8° | 180.0° |
| C2 | C2A | H2A | H2A1 | 120.0° | 119.9° |
| C2 | C2A | H2A | H2A2 | 120.0° | 120.0° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
| O3 | C3 | C4 | C5 | 179.4° | 180.0° |
| O3 | C3 | C4 | C4A | 0.6° | 0.0° |
| C3 | C4 | C5 | C4A | 178.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C5 | C5A | 178.8° | 180.0° |
| C4 | C3 | O3 | HO3 | 1.2° | 90.0° |
| C3 | C4 | C4A | H4A | 131.0° | 30.1° |
| C3 | C4 | C4A | H4A1 | 109.0° | 150.1° |
| C4 | C5 | C6 | C5A | 178.7° | 179.9° |
| C4 | C5 | C5A | OP4 | 81.7° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C4A | H4A | 47.8° | 150.0° |
| C5 | C4 | C4A | H4A1 | 72.2° | 30.0° |
| C4 | C5 | C5A | H5A | 158.3° | 60.0° |
| C4 | C5 | C5A | H5A1 | 38.3° | 60.0° |
| C4A | C4 | C5 | C6 | 178.7° | 180.0° |
| C4A | C4 | C5 | C5A | 0.0° | 0.1° |
| C4 | C4A | N | HN | 77.6° | 0.0° |
| C4 | C4A | H4A | H4A1 | 116.3° | 120.0° |
| C6 | C5 | C5A | OP4 | 99.6° | 0.0° |
| C6 | C5 | C5A | H5A | 20.4° | 119.9° |
| C6 | C5 | C5A | H5A1 | 140.3° | 120.0° |
| C5 | C5A | OP4 | H5A | 120.0° | 120.0° |
| C5 | C5A | OP4 | H5A1 | 120.0° | 120.0° |
| C5A | C5 | C6 | H6 | 1.2° | 0.1° |
| C5 | C5A | H5A | H5A1 | 118.9° | 120.1° |
| CA | CB | CG | HB | 180.0° | 180.0° |
| CA | CB | CG | SD | 94.7° | 114.8° |
| CB | CA | N | HN | 118.1° | 0.0° |
| CA | CB | CG | HG | 25.4° | 125.2° |
| CA | CB | CG | HGA | 145.4° | 5.2° |
| CB | CG | SD | CE | 104.0° | 180.0° |
| CB | CG | SD | HG | 120.0° | 120.1° |
| CB | CG | SD | HGA | 120.0° | 120.0° |
| CB | CG | HG | HGA | 117.3° | 119.9° |
| SD | CE | HE | HEA | 120.0° | 120.0° |
| SD | CE | HE | HEB | 120.0° | 120.1° |
| SD | CE | HEA | HEB | 120.0° | 120.0° |
| CE | SD | CG | HG | 136.0° | 60.0° |
| CE | SD | CG | HGA | 16.0° | 60.0° |
| SD | CG | CB | HB | 85.3° | 65.3° |
| CG | SD | CE | HE | 180.0° | 180.0° |
| CG | SD | CE | HEA | 60.0° | 60.0° |
| CG | SD | CE | HEB | 60.0° | 60.0° |
| SD | CG | HG | HGA | 117.3° | 120.0° |
| OP4 | C5A | H5A | H5A1 | 118.9° | 120.0° |
| HN | N | C4A | H4A | 162.4° | 120.0° |
| HN | N | C4A | H4A1 | 42.4° | 120.0° |
| HB | CB | CG | HG | 154.6° | 54.8° |
| HB | CB | CG | HGA | 34.6° | 174.7° |
| HE | CE | HEA | HEB | 120.0° | 120.0° |
| H2A | C2A | H2A1 | H2A2 | 120.0° | 120.1° |
