KPS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | doub | 1.22Å | 1.25Å | |
| N3 | C4 | sing | 1.35Å | 1.34Å | |
| N3 | C2 | sing | 1.35Å | 1.34Å | |
| C4 | C5 | sing | 1.42Å | 1.48Å | |
| O2 | C2 | doub | 1.22Å | 1.25Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C2 | N1 | sing | 1.34Å | 1.35Å | |
| O1P | P | doub | 1.48Å | 1.51Å | |
| C5 | C6 | doub | 1.35Å | 1.46Å | |
| C5 | C1' | sing | 1.51Å | 1.53Å | |
| N1 | C6 | sing | 1.37Å | 1.34Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | O4' | sing | 1.43Å | 1.43Å | |
| C4' | C3' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| O2P | P | sing | 1.61Å | 1.51Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| C2' | C3' | sing | 1.53Å | 1.52Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| P | O3T | sing | 1.61Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| O3T | H1 | sing | 0.97Å | 0.95Å | |
| O2P | H2 | sing | 0.97Å | 0.95Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| O4' | H6 | sing | 0.97Å | 0.95Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C2' | H9 | sing | 1.09Å | 1.10Å | |
| O2' | H10 | sing | 0.97Å | 0.95Å | |
| C1' | H11 | sing | 1.09Å | 1.10Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | N3 | 119.1° | 120.3° |
| O4 | C4 | C5 | 119.2° | 120.3° |
| C4 | N3 | C2 | 121.8° | 120.3° |
| N3 | C4 | C5 | 121.7° | 119.4° |
| C4 | N3 | H15 | 119.1° | 119.8° |
| N3 | C2 | O2 | 119.5° | 119.5° |
| N3 | C2 | N1 | 121.0° | 120.9° |
| C2 | N3 | H15 | 119.1° | 119.9° |
| C4 | C5 | C6 | 111.8° | 119.1° |
| C4 | C5 | C1' | 109.9° | 120.4° |
| O2 | C2 | N1 | 119.5° | 119.5° |
| O2' | C2' | C1' | 109.4° | 109.5° |
| O2' | C2' | C3' | 109.5° | 109.5° |
| O2' | C2' | H9 | 109.5° | 109.4° |
| C2' | O2' | H10 | 109.5° | 114.0° |
| C2 | N1 | C6 | 121.6° | 120.6° |
| C2 | N1 | H13 | 119.2° | 119.7° |
| O1P | P | O2P | 114.4° | 109.5° |
| O1P | P | O5' | 103.9° | 109.5° |
| O1P | P | O3T | 114.4° | 109.4° |
| C6 | C5 | C1' | 109.2° | 120.5° |
| C5 | C6 | N1 | 122.2° | 119.7° |
| C5 | C6 | H14 | 118.9° | 120.2° |
| C5 | C1' | C2' | 110.3° | 109.5° |
| C5 | C1' | H11 | 109.2° | 109.4° |
| C5 | C1' | H12 | 109.2° | 109.5° |
| N1 | C6 | H14 | 118.9° | 120.1° |
| C6 | N1 | H13 | 119.2° | 119.7° |
| C5' | C4' | O4' | 109.3° | 109.4° |
| C5' | C4' | C3' | 110.9° | 109.5° |
| C4' | C5' | O5' | 109.3° | 109.4° |
| C4' | C5' | H3 | 109.5° | 109.4° |
| C4' | C5' | H4 | 109.5° | 109.4° |
| C5' | C4' | H5 | 108.6° | 109.4° |
| O4' | C4' | C3' | 109.4° | 109.5° |
| O4' | C4' | H5 | 109.9° | 109.5° |
| C4' | O4' | H6 | 109.5° | 114.0° |
| C4' | C3' | C2' | 111.2° | 109.5° |
| C4' | C3' | O3' | 109.2° | 109.5° |
| C3' | C4' | H5 | 108.7° | 109.5° |
| C4' | C3' | H7 | 108.7° | 109.5° |
| C5' | O5' | P | 120.7° | 122.9° |
| O5' | C5' | H3 | 109.5° | 109.5° |
| O5' | C5' | H4 | 109.5° | 109.5° |
| O2P | P | O5' | 103.9° | 109.5° |
| O2P | P | O3T | 114.5° | 109.5° |
| P | O2P | H2 | 109.5° | 114.0° |
| C1' | C2' | C3' | 111.8° | 109.5° |
| C1' | C2' | H9 | 108.3° | 109.5° |
| C2' | C1' | H11 | 109.3° | 109.5° |
| C2' | C1' | H12 | 109.3° | 109.5° |
| C2' | C3' | O3' | 109.2° | 109.5° |
| C2' | C3' | H7 | 108.6° | 109.5° |
| C3' | C2' | H9 | 108.3° | 109.4° |
| O5' | P | O3T | 103.9° | 109.5° |
| P | O3T | H1 | 109.5° | 114.0° |
| O3' | C3' | H7 | 109.9° | 109.4° |
| C3' | O3' | H8 | 109.5° | 113.9° |
| H3 | C5' | H4 | 109.5° | 109.5° |
| H11 | C1' | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | N3 | C5 | 179.8° | 179.5° |
| O4 | C4 | N3 | C2 | 179.9° | 180.0° |
| O4 | C4 | C5 | C6 | 180.0° | 180.0° |
| O4 | C4 | C5 | C1' | 58.6° | 0.2° |
| O4 | C4 | N3 | H15 | 0.1° | 0.5° |
| C4 | N3 | C2 | H15 | 180.0° | 179.4° |
| C4 | N3 | C2 | O2 | 180.0° | 179.7° |
| C4 | N3 | C2 | N1 | 0.0° | 0.2° |
| N3 | C4 | C5 | C6 | 0.2° | 0.5° |
| N3 | C4 | C5 | C1' | 121.6° | 179.7° |
| C2 | N3 | C4 | C5 | 0.1° | 0.5° |
| N3 | C2 | O2 | N1 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.1° | 0.1° |
| N3 | C2 | N1 | H13 | 179.9° | 180.0° |
| C4 | C5 | C6 | C1' | 121.8° | 179.7° |
| C4 | C5 | C6 | N1 | 0.2° | 0.3° |
| C4 | C5 | C1' | C2' | 127.9° | 85.3° |
| C4 | C5 | C1' | H11 | 112.0° | 154.7° |
| C4 | C5 | C1' | H12 | 7.7° | 34.7° |
| C4 | C5 | C6 | H14 | 179.8° | 179.8° |
| C5 | C4 | N3 | H15 | 179.8° | 180.0° |
| O2 | C2 | N1 | C6 | 180.0° | 180.0° |
| O2 | C2 | N3 | H15 | 0.0° | 0.3° |
| O2 | C2 | N1 | H13 | 0.0° | 0.1° |
| O2' | C2' | C1' | C5 | 24.8° | 64.9° |
| O2' | C2' | C3' | C4' | 26.8° | 60.0° |
| O2' | C2' | C1' | C3' | 121.4° | 120.0° |
| O2' | C2' | C1' | H9 | 119.3° | 120.0° |
| O2' | C2' | C3' | H9 | 119.4° | 119.9° |
| O2' | C2' | C3' | O3' | 93.9° | 180.0° |
| O2' | C2' | C3' | H7 | 146.3° | 60.0° |
| O2' | C2' | C1' | H11 | 144.9° | 55.0° |
| O2' | C2' | C1' | H12 | 95.3° | 175.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | H13 | 180.0° | 179.9° |
| C2 | N1 | C6 | H14 | 180.0° | 179.9° |
| N1 | C2 | N3 | H15 | 180.0° | 179.7° |
| O1P | P | O5' | C5' | 78.8° | 55.0° |
| O1P | P | O2P | O5' | 112.6° | 120.1° |
| O1P | P | O2P | O3T | 134.7° | 120.0° |
| O1P | P | O5' | O3T | 119.9° | 120.0° |
| O1P | P | O3T | H1 | 0.0° | 60.0° |
| O1P | P | O2P | H2 | 0.0° | 180.0° |
| C5 | C6 | N1 | H14 | 180.0° | 179.9° |
| C6 | C5 | C1' | C2' | 109.2° | 95.0° |
| C6 | C5 | C1' | H11 | 10.9° | 25.0° |
| C6 | C5 | C1' | H12 | 130.7° | 145.0° |
| C5 | C6 | N1 | H13 | 180.0° | 180.0° |
| C1' | C5 | C6 | N1 | 122.0° | 180.0° |
| C5 | C1' | C2' | H11 | 120.1° | 120.0° |
| C5 | C1' | C2' | H12 | 120.1° | 120.1° |
| C5 | C1' | C2' | C3' | 146.2° | 175.0° |
| C5 | C1' | C2' | H9 | 94.5° | 55.1° |
| C5 | C1' | H11 | H12 | 119.6° | 120.0° |
| C1' | C5 | C6 | H14 | 58.0° | 0.1° |
| C5' | C4' | O4' | C3' | 121.6° | 120.0° |
| C5' | C4' | O4' | H5 | 119.2° | 120.0° |
| C5' | C4' | C3' | H5 | 119.3° | 120.0° |
| C4' | C5' | O5' | H3 | 120.0° | 120.0° |
| C4' | C5' | O5' | H4 | 120.0° | 119.9° |
| C5' | C4' | C3' | C2' | 130.9° | 180.0° |
| C4' | C5' | O5' | P | 154.6° | 180.0° |
| C5' | C4' | C3' | O3' | 10.3° | 60.0° |
| C4' | C5' | H3 | H4 | 120.1° | 120.0° |
| C5' | C4' | O4' | H6 | 180.0° | 60.0° |
| C5' | C4' | C3' | H7 | 109.6° | 60.0° |
| O4' | C4' | C3' | H5 | 120.0° | 120.0° |
| O4' | C4' | C5' | O5' | 27.0° | 65.0° |
| O4' | C4' | C3' | C2' | 108.4° | 60.0° |
| O4' | C4' | C3' | O3' | 130.9° | 179.9° |
| O4' | C4' | C5' | H3 | 93.0° | 55.0° |
| O4' | C4' | C5' | H4 | 147.0° | 175.0° |
| O4' | C4' | C3' | H7 | 11.1° | 60.0° |
| C3' | C4' | C5' | O5' | 93.7° | 175.0° |
| C4' | C3' | C2' | C1' | 94.6° | 180.0° |
| C4' | C3' | C2' | O3' | 120.6° | 120.0° |
| C4' | C3' | C2' | H7 | 119.5° | 120.0° |
| C4' | C3' | O3' | H7 | 119.1° | 119.9° |
| C3' | C4' | C5' | H3 | 146.3° | 65.0° |
| C3' | C4' | C5' | H4 | 26.3° | 55.0° |
| C3' | C4' | O4' | H6 | 58.4° | 60.0° |
| C4' | C3' | O3' | H8 | 180.0° | 60.1° |
| C4' | C3' | C2' | H9 | 146.1° | 60.0° |
| C5' | O5' | P | O2P | 41.2° | 65.0° |
| C5' | O5' | P | O3T | 161.3° | 175.0° |
| O5' | C5' | H3 | H4 | 120.1° | 120.1° |
| O5' | C5' | C4' | H5 | 146.9° | 55.0° |
| O2P | P | O5' | O3T | 120.1° | 120.0° |
| O2P | P | O3T | H1 | 134.8° | 60.0° |
| C1' | C2' | C3' | H9 | 119.2° | 120.0° |
| C1' | C2' | C3' | O3' | 144.7° | 59.9° |
| C1' | C2' | C3' | H7 | 24.9° | 60.0° |
| C1' | C2' | O2' | H10 | 180.0° | 60.0° |
| C2' | C1' | H11 | H12 | 119.7° | 120.0° |
| C2' | C3' | O3' | H7 | 119.1° | 120.0° |
| C2' | C3' | C4' | H5 | 11.6° | 60.0° |
| C2' | C3' | O3' | H8 | 58.2° | 60.0° |
| C3' | C2' | O2' | H10 | 57.2° | 60.1° |
| C3' | C2' | C1' | H11 | 93.7° | 65.0° |
| C3' | C2' | C1' | H12 | 26.1° | 54.9° |
| O5' | P | O3T | H1 | 112.6° | 180.0° |
| O5' | P | O2P | H2 | 112.7° | 59.9° |
| P | O5' | C5' | H3 | 34.6° | 60.0° |
| P | O5' | C5' | H4 | 85.4° | 60.0° |
| O3T | P | O2P | H2 | 134.7° | 60.0° |
| O3' | C3' | C4' | H5 | 109.0° | 60.0° |
| O3' | C3' | C2' | H9 | 25.5° | 60.0° |
| H3 | C5' | C4' | H5 | 27.0° | 175.0° |
| H4 | C5' | C4' | H5 | 93.1° | 65.0° |
| H5 | C4' | O4' | H6 | 60.8° | 180.0° |
| H5 | C4' | C3' | H7 | 131.1° | 180.0° |
| H7 | C3' | O3' | H8 | 60.9° | 180.0° |
| H7 | C3' | C2' | H9 | 94.3° | 180.0° |
| H9 | C2' | O2' | H10 | 61.4° | 180.0° |
| H9 | C2' | C1' | H11 | 25.6° | 175.0° |
| H9 | C2' | C1' | H12 | 145.4° | 65.0° |
| H14 | C6 | N1 | H13 | 0.0° | 0.0° |
