K39
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | sing | 1.61Å | 1.49Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| P | SP1 | doub | 1.86Å | 1.90Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| CD' | OC' | sing | 1.43Å | 1.42Å | |
| OC' | CB' | sing | 1.43Å | 1.41Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C8 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| O2' | CA' | sing | 1.43Å | 1.43Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| CB' | CA' | sing | 1.53Å | 1.50Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.35Å | |
| C5 | C6 | sing | 1.41Å | 1.42Å | |
| N3 | C2 | doub | 1.31Å | 1.32Å | |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| C2 | N1 | sing | 1.36Å | 1.37Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| CA' | H2 | sing | 1.09Å | 1.10Å | |
| CA' | H9 | sing | 1.09Å | 1.10Å | |
| CB' | H10 | sing | 1.09Å | 1.10Å | |
| CB' | H11 | sing | 1.09Å | 1.10Å | |
| CD' | H12 | sing | 1.09Å | 1.10Å | |
| CD' | H13 | sing | 1.09Å | 1.10Å | |
| CD' | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | O5' | 108.7° | 109.5° |
| OP2 | P | SP1 | 119.1° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP2 | P | OP3 | 110.1° | 109.4° |
| O5' | P | SP1 | 103.5° | 109.5° |
| P | O5' | C5' | 121.1° | 123.0° |
| O5' | P | OP3 | 103.3° | 109.5° |
| SP1 | P | OP3 | 110.7° | 109.5° |
| O5' | C5' | C4' | 109.5° | 109.4° |
| O5' | C5' | H5' | 109.5° | 109.5° |
| O5' | C5' | H5'' | 109.5° | 109.4° |
| C5' | C4' | O4' | 109.3° | 109.9° |
| C5' | C4' | C3' | 115.9° | 109.8° |
| C5' | C4' | H4' | 108.8° | 109.9° |
| C4' | C5' | H5' | 109.5° | 109.5° |
| C4' | C5' | H5'' | 109.5° | 109.5° |
| O4' | C4' | C3' | 104.3° | 107.3° |
| C4' | O4' | C1' | 109.8° | 107.0° |
| O4' | C4' | H4' | 109.7° | 110.0° |
| C4' | C3' | O3' | 111.3° | 110.6° |
| C4' | C3' | C2' | 102.1° | 104.2° |
| C4' | C3' | H3' | 110.1° | 110.5° |
| C3' | C4' | H4' | 108.6° | 109.9° |
| O3' | C3' | C2' | 111.3° | 110.5° |
| O3' | C3' | H3' | 111.5° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O4' | C1' | C2' | 106.9° | 103.5° |
| O4' | C1' | N9 | 108.6° | 110.6° |
| O4' | C1' | H1' | 110.0° | 110.8° |
| C3' | C2' | C1' | 102.0° | 102.1° |
| C3' | C2' | O2' | 112.4° | 110.9° |
| C3' | C2' | H2' | 110.6° | 110.9° |
| C2' | C3' | H3' | 110.2° | 110.5° |
| CD' | OC' | CB' | 112.6° | 114.0° |
| OC' | CD' | H12 | 109.5° | 109.5° |
| OC' | CD' | H13 | 109.5° | 109.5° |
| OC' | CD' | H14 | 109.5° | 109.5° |
| OC' | CB' | CA' | 109.3° | 109.5° |
| OC' | CB' | H10 | 109.5° | 109.5° |
| OC' | CB' | H11 | 109.5° | 109.5° |
| C2' | C1' | N9 | 113.1° | 110.6° |
| C1' | C2' | O2' | 109.1° | 110.9° |
| C2' | C1' | H1' | 108.7° | 110.6° |
| C1' | C2' | H2' | 110.4° | 110.9° |
| C1' | N9 | C8 | 127.6° | 126.3° |
| C1' | N9 | C4 | 126.0° | 126.2° |
| N9 | C1' | H1' | 109.5° | 110.6° |
| N9 | C8 | N7 | 113.1° | 109.8° |
| C8 | N9 | C4 | 106.4° | 107.5° |
| N9 | C8 | H8 | 123.5° | 125.1° |
| C8 | N7 | C5 | 104.3° | 109.3° |
| N7 | C8 | H8 | 123.4° | 125.1° |
| C2' | O2' | CA' | 114.4° | 114.0° |
| O2' | C2' | H2' | 111.9° | 110.8° |
| O2' | CA' | CB' | 109.6° | 109.4° |
| O2' | CA' | H2 | 109.4° | 109.4° |
| O2' | CA' | H9 | 109.5° | 109.4° |
| N9 | C4 | C5 | 105.4° | 106.1° |
| N9 | C4 | N3 | 125.9° | 134.2° |
| N7 | C5 | C4 | 110.8° | 107.2° |
| N7 | C5 | C6 | 130.5° | 134.1° |
| CB' | CA' | H2 | 109.4° | 109.5° |
| CB' | CA' | H9 | 109.5° | 109.5° |
| CA' | CB' | H10 | 109.5° | 109.5° |
| CA' | CB' | H11 | 109.5° | 109.5° |
| C5 | C4 | N3 | 128.7° | 119.7° |
| C4 | C5 | C6 | 118.7° | 118.6° |
| C4 | N3 | C2 | 112.0° | 121.1° |
| C5 | C6 | O6 | 128.6° | 120.8° |
| C5 | C6 | N1 | 111.6° | 118.3° |
| N3 | C2 | N1 | 123.9° | 121.9° |
| N3 | C2 | N2 | 119.9° | 119.1° |
| O6 | C6 | N1 | 119.9° | 120.9° |
| C6 | N1 | C2 | 125.2° | 120.4° |
| C6 | N1 | H1 | 117.4° | 119.8° |
| N1 | C2 | N2 | 116.2° | 119.1° |
| C2 | N1 | H1 | 117.4° | 119.8° |
| C2 | N2 | H21 | 120.0° | 120.0° |
| C2 | N2 | H22 | 120.0° | 120.0° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| H2 | CA' | H9 | 109.5° | 109.5° |
| H10 | CB' | H11 | 109.5° | 109.5° |
| H12 | CD' | H13 | 109.5° | 109.4° |
| H12 | CD' | H14 | 109.4° | 109.5° |
| H13 | CD' | H14 | 109.5° | 109.4° |
| H21 | N2 | H22 | 120.0° | 120.1° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | O5' | SP1 | 127.6° | 120.0° |
| OP2 | P | O5' | OP3 | 116.9° | 120.0° |
| OP2 | P | SP1 | OP3 | 129.1° | 120.0° |
| OP2 | P | O5' | C5' | 61.6° | 165.0° |
| OP2 | P | OP3 | HOP3 | 133.8° | 60.0° |
| O5' | P | SP1 | OP3 | 110.1° | 120.0° |
| P | O5' | C5' | C4' | 168.4° | 180.0° |
| P | O5' | C5' | H5' | 71.6° | 60.0° |
| P | O5' | C5' | H5'' | 48.4° | 60.0° |
| O5' | P | OP2 | HOP2 | 118.1° | 180.0° |
| O5' | P | OP3 | HOP3 | 110.3° | 60.0° |
| SP1 | P | O5' | C5' | 170.9° | 44.9° |
| SP1 | P | OP2 | HOP2 | 0.0° | 60.0° |
| SP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.0° | 119.9° |
| O5' | C5' | C4' | O4' | 70.0° | 66.5° |
| O5' | C5' | C4' | C3' | 47.5° | 175.8° |
| O5' | C5' | C4' | H4' | 170.2° | 54.7° |
| O5' | C5' | H5' | H5'' | 120.0° | 120.0° |
| C5' | O5' | P | OP3 | 55.4° | 75.1° |
| C5' | C4' | O4' | C3' | 124.6° | 119.4° |
| C5' | C4' | O4' | H4' | 119.2° | 121.1° |
| C5' | C4' | C3' | H4' | 122.8° | 121.1° |
| C5' | C4' | C3' | O3' | 84.7° | 119.8° |
| C5' | C4' | O4' | C1' | 145.9° | 145.9° |
| C5' | C4' | C3' | C2' | 156.5° | 121.5° |
| C5' | C4' | C3' | H3' | 39.5° | 2.8° |
| C4' | C5' | H5' | H5'' | 120.0° | 120.0° |
| O4' | C4' | C3' | H4' | 116.9° | 119.5° |
| O4' | C4' | C3' | O3' | 155.1° | 120.8° |
| O4' | C4' | C3' | C2' | 36.2° | 2.1° |
| C4' | O4' | C1' | C2' | 2.3° | 40.1° |
| C4' | O4' | C1' | N9 | 120.0° | 158.6° |
| C4' | O4' | C1' | H1' | 120.1° | 78.5° |
| O4' | C4' | C3' | H3' | 80.8° | 116.6° |
| O4' | C4' | C5' | H5' | 170.0° | 173.5° |
| O4' | C4' | C5' | H5'' | 50.0° | 53.5° |
| C4' | C3' | O3' | C2' | 113.1° | 114.8° |
| C4' | C3' | O3' | H3' | 123.4° | 122.6° |
| C3' | C4' | O4' | C1' | 21.3° | 26.6° |
| C4' | C3' | C2' | H3' | 116.9° | 118.7° |
| C4' | C3' | C2' | C1' | 36.7° | 20.9° |
| C4' | C3' | C2' | O2' | 80.0° | 139.0° |
| C4' | C3' | C2' | H2' | 154.1° | 97.4° |
| C3' | C4' | C5' | H5' | 72.5° | 55.7° |
| C3' | C4' | C5' | H5'' | 167.5° | 64.3° |
| C4' | C3' | O3' | HO3' | 180.0° | 65.2° |
| O3' | C3' | C2' | H3' | 124.2° | 122.5° |
| O3' | C3' | C2' | C1' | 155.5° | 97.9° |
| O3' | C3' | C2' | O2' | 38.8° | 20.3° |
| O3' | C3' | C2' | H2' | 87.0° | 143.9° |
| O3' | C3' | C4' | H4' | 38.1° | 1.3° |
| O4' | C1' | C2' | C3' | 25.0° | 37.0° |
| O4' | C1' | C2' | N9 | 119.5° | 118.5° |
| O4' | C1' | C2' | H1' | 118.7° | 118.7° |
| O4' | C1' | N9 | H1' | 120.2° | 123.0° |
| O4' | C1' | N9 | C8 | 18.2° | 19.0° |
| O4' | C1' | C2' | O2' | 94.1° | 155.2° |
| O4' | C1' | N9 | C4 | 160.9° | 160.4° |
| O4' | C1' | C2' | H2' | 142.5° | 81.2° |
| C1' | O4' | C4' | H4' | 94.8° | 92.9° |
| C3' | C2' | C1' | O2' | 119.0° | 118.1° |
| C3' | C2' | C1' | H2' | 117.6° | 118.2° |
| C3' | C2' | C1' | N9 | 94.5° | 155.5° |
| C3' | C2' | O2' | H2' | 125.1° | 123.7° |
| C3' | C2' | O2' | CA' | 179.6° | 97.3° |
| C3' | C2' | C1' | H1' | 143.7° | 81.6° |
| C2' | C3' | C4' | H4' | 80.7° | 117.4° |
| C2' | C3' | O3' | HO3' | 66.9° | 180.0° |
| CD' | OC' | CB' | CA' | 149.8° | 180.0° |
| CD' | OC' | CB' | H10 | 90.2° | 60.0° |
| CD' | OC' | CB' | H11 | 29.9° | 60.0° |
| OC' | CD' | H12 | H13 | 120.0° | 120.0° |
| OC' | CD' | H12 | H14 | 120.0° | 120.1° |
| OC' | CD' | H13 | H14 | 120.0° | 120.0° |
| OC' | CB' | CA' | O2' | 11.7° | 65.0° |
| OC' | CB' | CA' | H10 | 120.0° | 120.0° |
| OC' | CB' | CA' | H11 | 120.0° | 120.0° |
| OC' | CB' | CA' | H2 | 108.3° | 175.0° |
| OC' | CB' | CA' | H9 | 131.8° | 54.9° |
| OC' | CB' | H10 | H11 | 120.1° | 120.0° |
| CB' | OC' | CD' | H12 | 180.0° | 180.0° |
| CB' | OC' | CD' | H13 | 60.0° | 60.0° |
| CB' | OC' | CD' | H14 | 60.0° | 60.0° |
| C2' | C1' | N9 | H1' | 121.3° | 122.9° |
| C2' | C1' | N9 | C8 | 100.3° | 95.0° |
| C1' | C2' | O2' | H2' | 122.5° | 123.7° |
| C1' | C2' | O2' | CA' | 68.0° | 150.0° |
| C2' | C1' | N9 | C4 | 80.6° | 85.5° |
| C1' | C2' | C3' | H3' | 80.3° | 139.6° |
| C1' | N9 | C8 | C4 | 179.2° | 179.5° |
| C1' | N9 | C8 | N7 | 178.7° | 180.0° |
| N9 | C1' | C2' | O2' | 146.4° | 86.3° |
| C1' | N9 | C4 | C5 | 178.3° | 179.9° |
| C1' | N9 | C4 | N3 | 1.3° | 0.4° |
| N9 | C1' | C2' | H2' | 23.0° | 37.3° |
| C1' | N9 | C8 | H8 | 1.3° | 0.1° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.1° | 0.3° |
| C8 | N9 | C4 | C5 | 0.9° | 0.4° |
| C8 | N9 | C4 | N3 | 179.5° | 180.0° |
| C8 | N9 | C1' | H1' | 138.4° | 142.1° |
| N7 | C8 | N9 | C4 | 0.5° | 0.4° |
| C8 | N7 | C5 | C4 | 0.7° | 0.0° |
| C8 | N7 | C5 | C6 | 178.5° | 179.8° |
| C2' | O2' | CA' | CB' | 158.6° | 179.9° |
| O2' | C2' | C1' | H1' | 24.7° | 36.5° |
| O2' | C2' | C3' | H3' | 163.0° | 102.3° |
| C2' | O2' | CA' | H2 | 38.6° | 60.0° |
| C2' | O2' | CA' | H9 | 81.4° | 60.0° |
| O2' | CA' | CB' | H2 | 120.0° | 120.0° |
| O2' | CA' | CB' | H9 | 120.0° | 120.0° |
| CA' | O2' | C2' | H2' | 54.5° | 26.3° |
| O2' | CA' | H2 | H9 | 120.0° | 120.0° |
| O2' | CA' | CB' | H10 | 108.2° | 175.0° |
| O2' | CA' | CB' | H11 | 131.7° | 55.0° |
| N9 | C4 | C5 | N7 | 1.0° | 0.3° |
| N9 | C4 | C5 | N3 | 179.6° | 179.7° |
| N9 | C4 | C5 | C6 | 178.3° | 179.9° |
| N9 | C4 | N3 | C2 | 178.4° | 179.6° |
| C4 | N9 | C1' | H1' | 40.7° | 37.4° |
| C4 | N9 | C8 | H8 | 179.5° | 179.6° |
| N7 | C5 | C4 | C6 | 179.3° | 179.8° |
| N7 | C5 | C4 | N3 | 179.4° | 179.9° |
| N7 | C5 | C6 | O6 | 0.7° | 0.3° |
| N7 | C5 | C6 | N1 | 179.7° | 179.8° |
| C5 | N7 | C8 | H8 | 179.9° | 179.8° |
| CB' | CA' | H2 | H9 | 120.0° | 120.1° |
| CA' | CB' | H10 | H11 | 120.1° | 120.0° |
| C5 | C4 | N3 | C2 | 1.1° | 0.1° |
| C4 | C5 | C6 | O6 | 178.3° | 180.0° |
| C4 | C5 | C6 | N1 | 0.6° | 0.5° |
| N3 | C4 | C5 | C6 | 1.4° | 0.3° |
| C4 | N3 | C2 | N1 | 0.3° | 0.0° |
| C4 | N3 | C2 | N2 | 179.0° | 179.7° |
| C5 | C6 | O6 | N1 | 178.9° | 179.5° |
| C5 | C6 | N1 | C2 | 0.1° | 0.5° |
| C5 | C6 | N1 | H1 | 179.8° | 179.5° |
| N3 | C2 | N1 | C6 | 0.3° | 0.3° |
| N3 | C2 | N1 | N2 | 179.3° | 179.7° |
| N3 | C2 | N1 | H1 | 179.7° | 179.7° |
| N3 | C2 | N2 | H21 | 0.0° | 179.7° |
| N3 | C2 | N2 | H22 | 180.0° | 0.3° |
| O6 | C6 | N1 | C2 | 179.2° | 180.0° |
| O6 | C6 | N1 | H1 | 0.8° | 0.1° |
| C6 | N1 | C2 | H1 | 180.0° | 179.9° |
| C6 | N1 | C2 | N2 | 179.6° | 180.0° |
| N1 | C2 | N2 | H21 | 179.3° | 0.0° |
| N1 | C2 | N2 | H22 | 0.7° | 180.0° |
| N2 | C2 | N1 | H1 | 0.4° | 0.0° |
| C2 | N2 | H21 | H22 | 180.0° | 180.0° |
| H1' | C1' | C2' | H2' | 98.8° | 160.1° |
| H2' | C2' | C3' | H3' | 37.2° | 21.3° |
| H3' | C3' | C4' | H4' | 162.3° | 123.8° |
| H3' | C3' | O3' | HO3' | 56.6° | 57.4° |
| H4' | C4' | C5' | H5' | 50.2° | 65.3° |
| H4' | C4' | C5' | H5'' | 69.8° | 174.6° |
| H2 | CA' | CB' | H10 | 131.8° | 55.0° |
| H2 | CA' | CB' | H11 | 11.7° | 65.0° |
| H9 | CA' | CB' | H10 | 11.8° | 65.1° |
| H9 | CA' | CB' | H11 | 108.3° | 174.9° |
| H12 | CD' | H13 | H14 | 120.0° | 119.9° |
| HOP2 | OP2 | P | OP3 | 129.4° | 60.0° |
