5OW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2' | C2 | sing | 1.51Å | 1.50Å | |
| O3 | C3 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| O9 | C7 | doub | 1.21Å | 1.25Å | |
| C4 | C4' | sing | 1.48Å | 1.50Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| C7 | O8 | sing | 1.34Å | 1.25Å | |
| C7 | C1 | sing | 1.51Å | 1.50Å | |
| C4' | N4 | doub | 1.30Å | 1.33Å | |
| C4' | NZ | sing | 1.38Å | 1.33Å | |
| N4 | C1 | sing | 1.47Å | 1.45Å | |
| C5 | C5' | sing | 1.51Å | 1.51Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| CE | NZ | sing | 1.46Å | 1.45Å | |
| CE | CD | sing | 1.53Å | 1.52Å | |
| C1 | C10 | sing | 1.53Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| C5' | OP4 | sing | 1.43Å | 1.42Å | |
| C10 | S11 | sing | 1.81Å | 1.81Å | |
| OP4 | P | sing | 1.61Å | 1.61Å | |
| P | OP1 | doub | 1.48Å | 1.51Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| P | OP3 | sing | 1.61Å | 1.51Å | |
| O8 | H1 | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CD | H5 | sing | 1.09Å | 1.10Å | |
| CD | H6 | sing | 1.09Å | 1.10Å | |
| CE | H7 | sing | 1.09Å | 1.10Å | |
| CE | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| CG | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| S11 | H14 | sing | 1.34Å | 1.30Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| C5' | H16 | sing | 1.09Å | 1.10Å | |
| OP3 | H17 | sing | 0.97Å | 0.95Å | |
| OP2 | H18 | sing | 0.97Å | 0.95Å | |
| C6 | H19 | sing | 1.08Å | 1.08Å | |
| C2' | H20 | sing | 1.09Å | 1.10Å | |
| C2' | H21 | sing | 1.09Å | 1.10Å | |
| C2' | H22 | sing | 1.09Å | 1.10Å | |
| O3 | H23 | sing | 0.97Å | 0.95Å | |
| NZ | H24 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.03Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | C2 | C3 | 119.3° | 119.6° |
| C2' | C2 | N1 | 120.1° | 119.6° |
| C2 | C2' | H20 | 109.5° | 109.5° |
| C2 | C2' | H21 | 109.5° | 109.5° |
| C2 | C2' | H22 | 109.5° | 109.5° |
| O3 | C3 | C2 | 120.4° | 120.6° |
| O3 | C3 | C4 | 120.2° | 120.6° |
| C3 | O3 | H23 | 109.5° | 114.0° |
| C3 | C2 | N1 | 120.5° | 120.8° |
| C2 | C3 | C4 | 119.5° | 118.9° |
| C2 | N1 | C6 | 121.0° | 122.1° |
| C3 | C4 | C4' | 120.1° | 120.9° |
| C3 | C4 | C5 | 119.1° | 118.1° |
| N1 | C6 | C5 | 120.1° | 121.0° |
| N1 | C6 | H19 | 119.9° | 119.4° |
| O9 | C7 | O8 | 122.5° | 120.0° |
| O9 | C7 | C1 | 118.6° | 120.0° |
| C4' | C4 | C5 | 120.8° | 121.0° |
| C4 | C4' | N4 | 118.4° | 120.0° |
| C4 | C4' | NZ | 121.5° | 120.0° |
| C4 | C5 | C6 | 119.8° | 119.1° |
| C4 | C5 | C5' | 119.1° | 120.5° |
| C6 | C5 | C5' | 121.1° | 120.4° |
| C5 | C6 | H19 | 120.0° | 119.5° |
| CG | CB | CA | 110.6° | 109.5° |
| CB | CG | CD | 114.5° | 109.5° |
| CG | CB | H3 | 109.2° | 109.5° |
| CG | CB | H4 | 109.2° | 109.5° |
| CB | CG | H9 | 108.2° | 109.5° |
| CB | CG | H10 | 108.2° | 109.5° |
| CB | CA | C | 112.4° | 109.5° |
| CB | CA | N | 108.2° | 109.4° |
| CB | CA | HA | 107.9° | 109.5° |
| CA | CB | H3 | 109.2° | 109.5° |
| CA | CB | H4 | 109.2° | 109.4° |
| CG | CD | CE | 110.9° | 109.5° |
| CG | CD | H5 | 109.1° | 109.5° |
| CG | CD | H6 | 109.1° | 109.5° |
| CD | CG | H9 | 108.2° | 109.5° |
| CD | CG | H10 | 108.2° | 109.4° |
| O8 | C7 | C1 | 118.9° | 120.0° |
| C7 | O8 | H1 | 109.5° | 117.0° |
| C7 | C1 | N4 | 110.6° | 109.5° |
| C7 | C1 | C10 | 111.1° | 109.5° |
| C7 | C1 | H11 | 110.3° | 109.5° |
| N4 | C4' | NZ | 120.1° | 120.0° |
| C4' | N4 | C1 | 122.9° | 120.0° |
| C4' | NZ | CE | 127.5° | 120.0° |
| C4' | NZ | H24 | 116.3° | 120.0° |
| N4 | C1 | C10 | 103.6° | 109.4° |
| N4 | C1 | H11 | 111.0° | 109.5° |
| C5 | C5' | OP4 | 111.6° | 109.5° |
| C5 | C5' | H15 | 108.9° | 109.4° |
| C5 | C5' | H16 | 108.9° | 109.5° |
| CA | C | O | 118.5° | 120.0° |
| C | CA | N | 111.7° | 109.5° |
| C | CA | HA | 108.0° | 109.5° |
| CA | C | OXT | 120.7° | 120.0° |
| O | C | OXT | 120.8° | 120.0° |
| NZ | CE | CD | 106.0° | 109.5° |
| NZ | CE | H7 | 110.3° | 109.5° |
| NZ | CE | H8 | 110.3° | 109.5° |
| CE | NZ | H24 | 116.3° | 120.1° |
| CE | CD | H5 | 109.1° | 109.4° |
| CE | CD | H6 | 109.1° | 109.5° |
| CD | CE | H7 | 110.3° | 109.5° |
| CD | CE | H8 | 110.3° | 109.4° |
| C1 | C10 | S11 | 113.8° | 109.5° |
| C10 | C1 | H11 | 110.0° | 109.5° |
| C1 | C10 | H12 | 108.4° | 109.5° |
| C1 | C10 | H13 | 108.4° | 109.4° |
| N | CA | HA | 108.5° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C5' | OP4 | P | 117.4° | 123.0° |
| OP4 | C5' | H15 | 108.9° | 109.5° |
| OP4 | C5' | H16 | 109.0° | 109.5° |
| S11 | C10 | H12 | 108.4° | 109.5° |
| S11 | C10 | H13 | 108.4° | 109.5° |
| C10 | S11 | H14 | 102.0° | 103.0° |
| OP4 | P | OP1 | 104.7° | 109.4° |
| OP4 | P | OP2 | 103.4° | 109.5° |
| OP4 | P | OP3 | 103.4° | 109.5° |
| OP1 | P | OP2 | 113.9° | 109.5° |
| OP1 | P | OP3 | 114.7° | 109.5° |
| OP2 | P | OP3 | 114.8° | 109.5° |
| P | OP2 | H18 | 109.5° | 114.0° |
| P | OP3 | H17 | 109.5° | 114.0° |
| H3 | CB | H4 | 109.5° | 109.4° |
| H5 | CD | H6 | 109.5° | 109.5° |
| H7 | CE | H8 | 109.5° | 109.5° |
| H9 | CG | H10 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H15 | C5' | H16 | 109.5° | 109.4° |
| H20 | C2' | H21 | 109.5° | 109.5° |
| H20 | C2' | H22 | 109.4° | 109.5° |
| H21 | C2' | H22 | 109.5° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2' | C2 | C3 | O3 | 0.1° | 0.0° |
| C2' | C2 | C3 | N1 | 180.0° | 180.0° |
| C2' | C2 | C3 | C4 | 179.9° | 180.0° |
| C2' | C2 | N1 | C6 | 179.9° | 180.0° |
| C2 | C2' | H20 | H21 | 120.0° | 120.0° |
| C2 | C2' | H20 | H22 | 120.0° | 120.0° |
| C2 | C2' | H21 | H22 | 120.0° | 120.0° |
| O3 | C3 | C2 | C4 | 180.0° | 180.0° |
| O3 | C3 | C2 | N1 | 179.9° | 180.0° |
| O3 | C3 | C4 | C4' | 0.3° | 0.0° |
| O3 | C3 | C4 | C5 | 179.7° | 180.0° |
| C3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C2 | C3 | C4 | C4' | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C2 | C2' | H20 | 180.0° | 90.0° |
| C3 | C2 | C2' | H21 | 60.0° | 150.0° |
| C3 | C2 | C2' | H22 | 60.0° | 30.0° |
| C2 | C3 | O3 | H23 | 180.0° | 90.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| C2 | N1 | C6 | H19 | 179.7° | 180.0° |
| N1 | C2 | C2' | H20 | 0.0° | 90.0° |
| N1 | C2 | C2' | H21 | 120.0° | 30.1° |
| N1 | C2 | C2' | H22 | 120.0° | 150.0° |
| C3 | C4 | C4' | C5 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C4' | N4 | 88.1° | 90.0° |
| C3 | C4 | C4' | NZ | 91.1° | 90.0° |
| C3 | C4 | C5 | C5' | 179.9° | 180.0° |
| C4 | C3 | O3 | H23 | 0.0° | 90.0° |
| N1 | C6 | C5 | C4 | 0.6° | 0.0° |
| N1 | C6 | C5 | H19 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5' | 179.9° | 180.0° |
| O9 | C7 | O8 | C1 | 180.0° | 180.0° |
| O9 | C7 | C1 | N4 | 16.9° | 20.0° |
| O9 | C7 | C1 | C10 | 97.5° | 100.0° |
| O9 | C7 | O8 | H1 | 0.0° | 0.0° |
| O9 | C7 | C1 | H11 | 140.2° | 140.0° |
| C4' | C4 | C5 | C6 | 180.0° | 180.0° |
| C4 | C4' | N4 | NZ | 179.2° | 180.0° |
| C4 | C4' | N4 | C1 | 179.8° | 173.7° |
| C4' | C4 | C5 | C5' | 0.5° | 0.0° |
| C4 | C4' | NZ | CE | 0.7° | 4.7° |
| C4 | C4' | NZ | H24 | 179.3° | 175.3° |
| C4 | C5 | C6 | C5' | 179.5° | 180.0° |
| C5 | C4 | C4' | N4 | 91.3° | 89.9° |
| C5 | C4 | C4' | NZ | 89.5° | 90.0° |
| C4 | C5 | C5' | OP4 | 139.5° | 180.0° |
| C4 | C5 | C5' | H15 | 100.2° | 60.0° |
| C4 | C5 | C5' | H16 | 19.1° | 60.0° |
| C4 | C5 | C6 | H19 | 179.5° | 180.0° |
| C6 | C5 | C5' | OP4 | 40.1° | 0.0° |
| C6 | C5 | C5' | H15 | 80.2° | 120.0° |
| C6 | C5 | C5' | H16 | 160.4° | 120.0° |
| CG | CB | CA | H3 | 120.2° | 120.1° |
| CG | CB | CA | H4 | 120.2° | 120.0° |
| CB | CG | CD | H9 | 120.7° | 120.0° |
| CB | CG | CD | H10 | 120.7° | 120.0° |
| CG | CB | CA | C | 142.5° | 175.0° |
| CB | CG | CD | CE | 96.0° | 180.0° |
| CG | CB | CA | N | 93.7° | 65.0° |
| CG | CB | CA | HA | 23.5° | 54.9° |
| CG | CB | H3 | H4 | 119.5° | 120.0° |
| CB | CG | CD | H5 | 143.8° | 60.0° |
| CB | CG | CD | H6 | 24.2° | 60.0° |
| CB | CG | H9 | H10 | 117.7° | 120.0° |
| CA | CB | CG | CD | 63.1° | 180.0° |
| CB | CA | C | N | 121.8° | 119.9° |
| CB | CA | C | HA | 118.9° | 120.1° |
| CB | CA | C | O | 171.8° | 99.9° |
| CB | CA | N | HA | 116.8° | 120.0° |
| CA | CB | H3 | H4 | 119.5° | 119.9° |
| CA | CB | CG | H9 | 176.1° | 59.9° |
| CA | CB | CG | H10 | 57.6° | 60.1° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CB | CA | C | OXT | 8.2° | 80.0° |
| CG | CD | CE | NZ | 107.4° | 180.0° |
| CG | CD | CE | H5 | 120.2° | 120.0° |
| CG | CD | CE | H6 | 120.2° | 120.1° |
| CD | CG | CB | H3 | 176.7° | 60.0° |
| CD | CG | CB | H4 | 57.1° | 60.0° |
| CG | CD | H5 | H6 | 119.3° | 120.0° |
| CG | CD | CE | H7 | 12.0° | 60.0° |
| CG | CD | CE | H8 | 133.1° | 60.0° |
| CD | CG | H9 | H10 | 117.7° | 120.0° |
| O8 | C7 | C1 | N4 | 163.0° | 160.0° |
| O8 | C7 | C1 | C10 | 82.5° | 80.1° |
| O8 | C7 | C1 | H11 | 39.8° | 40.0° |
| C7 | C1 | N4 | C4' | 126.0° | 113.8° |
| C7 | C1 | N4 | C10 | 119.2° | 120.0° |
| C7 | C1 | N4 | H11 | 122.8° | 120.0° |
| C7 | C1 | C10 | H11 | 122.5° | 120.0° |
| C7 | C1 | C10 | S11 | 46.7° | 180.0° |
| C1 | C7 | O8 | H1 | 180.0° | 180.0° |
| C7 | C1 | C10 | H12 | 167.3° | 60.0° |
| C7 | C1 | C10 | H13 | 73.9° | 60.0° |
| N4 | C4' | NZ | CE | 179.9° | 175.2° |
| C4' | N4 | C1 | C10 | 114.9° | 126.2° |
| C4' | N4 | C1 | H11 | 3.2° | 6.2° |
| N4 | C4' | NZ | H24 | 0.1° | 4.7° |
| NZ | C4' | N4 | C1 | 0.6° | 6.4° |
| C4' | NZ | CE | H24 | 180.0° | 180.0° |
| C4' | NZ | CE | CD | 167.8° | 175.0° |
| C4' | NZ | CE | H7 | 48.4° | 55.1° |
| C4' | NZ | CE | H8 | 72.7° | 65.0° |
| N4 | C1 | C10 | H11 | 118.7° | 120.0° |
| N4 | C1 | C10 | S11 | 165.5° | 60.0° |
| N4 | C1 | C10 | H12 | 73.9° | 60.0° |
| N4 | C1 | C10 | H13 | 44.9° | 180.0° |
| C5 | C5' | OP4 | H15 | 120.3° | 120.0° |
| C5 | C5' | OP4 | H16 | 120.3° | 120.0° |
| C5 | C5' | OP4 | P | 158.4° | 180.0° |
| C5 | C5' | H15 | H16 | 119.0° | 120.0° |
| C5' | C5 | C6 | H19 | 0.1° | 0.0° |
| CA | C | O | OXT | 180.0° | 180.0° |
| C | CA | N | HA | 119.0° | 120.0° |
| C | CA | CB | H3 | 22.3° | 64.9° |
| C | CA | CB | H4 | 97.3° | 55.0° |
| C | CA | N | H | 55.8° | 60.0° |
| C | CA | N | H2 | 64.2° | 176.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| O | C | CA | N | 66.4° | 20.0° |
| O | C | CA | HA | 52.9° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| NZ | CE | CD | H7 | 119.4° | 120.0° |
| NZ | CE | CD | H8 | 119.4° | 120.0° |
| NZ | CE | CD | H5 | 12.8° | 60.0° |
| NZ | CE | CD | H6 | 132.4° | 60.0° |
| NZ | CE | H7 | H8 | 121.6° | 120.1° |
| CE | CD | H5 | H6 | 119.3° | 120.0° |
| CD | CE | H7 | H8 | 121.6° | 120.0° |
| CE | CD | CG | H9 | 24.8° | 60.0° |
| CE | CD | CG | H10 | 143.3° | 60.0° |
| CD | CE | NZ | H24 | 12.1° | 5.0° |
| C1 | C10 | S11 | H12 | 120.6° | 120.0° |
| C1 | C10 | S11 | H13 | 120.6° | 120.0° |
| C1 | C10 | H12 | H13 | 118.0° | 120.0° |
| C1 | C10 | S11 | H14 | 180.0° | 180.0° |
| N | CA | CB | H3 | 146.2° | 55.1° |
| N | CA | CB | H4 | 26.5° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 113.6° | 160.0° |
| C5' | OP4 | P | OP1 | 131.0° | 55.0° |
| C5' | OP4 | P | OP2 | 11.4° | 175.0° |
| C5' | OP4 | P | OP3 | 108.6° | 64.9° |
| OP4 | C5' | H15 | H16 | 119.0° | 120.0° |
| S11 | C10 | C1 | H11 | 75.8° | 60.0° |
| S11 | C10 | H12 | H13 | 118.0° | 120.0° |
| OP4 | P | OP1 | OP2 | 112.3° | 120.0° |
| OP4 | P | OP1 | OP3 | 112.6° | 120.0° |
| OP4 | P | OP2 | OP3 | 111.9° | 120.0° |
| P | OP4 | C5' | H15 | 81.3° | 60.0° |
| P | OP4 | C5' | H16 | 38.1° | 59.9° |
| OP4 | P | OP3 | H17 | 113.3° | 60.0° |
| OP4 | P | OP2 | H18 | 113.0° | 180.0° |
| OP1 | P | OP2 | OP3 | 135.1° | 120.0° |
| OP1 | P | OP3 | H17 | 0.0° | 180.0° |
| OP1 | P | OP2 | H18 | 0.0° | 60.0° |
| OP2 | P | OP3 | H17 | 134.7° | 60.0° |
| OP3 | P | OP2 | H18 | 135.1° | 60.0° |
| HA | CA | CB | H3 | 96.6° | 175.0° |
| HA | CA | CB | H4 | 143.7° | 65.1° |
| HA | CA | N | H | 63.2° | 180.0° |
| HA | CA | N | H2 | 176.8° | 56.0° |
| HA | CA | C | OXT | 127.1° | 40.0° |
| H3 | CB | CG | H9 | 55.9° | 180.0° |
| H3 | CB | CG | H10 | 62.6° | 60.0° |
| H4 | CB | CG | H9 | 63.7° | 60.0° |
| H4 | CB | CG | H10 | 177.8° | NaN° |
| H5 | CD | CE | H7 | 132.2° | 60.0° |
| H5 | CD | CE | H8 | 106.6° | NaN° |
| H5 | CD | CG | H9 | 95.5° | 60.0° |
| H5 | CD | CG | H10 | 23.0° | 180.0° |
| H6 | CD | CE | H7 | 108.2° | 179.9° |
| H6 | CD | CE | H8 | 12.9° | 60.0° |
| H6 | CD | CG | H9 | 145.0° | 180.0° |
| H6 | CD | CG | H10 | 96.5° | 60.0° |
| H7 | CE | NZ | H24 | 131.6° | 125.0° |
| H8 | CE | NZ | H24 | 107.3° | 115.0° |
| H11 | C1 | C10 | H12 | 44.9° | NaN° |
| H11 | C1 | C10 | H13 | 163.6° | 60.0° |
| H12 | C10 | S11 | H14 | 59.4° | 60.0° |
| H13 | C10 | S11 | H14 | 59.4° | 60.0° |
| H20 | C2' | H21 | H22 | 120.0° | 120.0° |
