86N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.42Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.29Å | |
| CG | CD | sing | 1.51Å | 1.49Å | |
| OE2 | CD | doub | 1.21Å | 1.21Å | |
| CD | OE1 | sing | 1.34Å | 1.24Å | |
| OE1 | P | sing | 1.61Å | 1.87Å | |
| O2P | P | doub | 1.48Å | 1.69Å | |
| P | O3P | sing | 1.61Å | 1.76Å | |
| P | O5' | sing | 1.61Å | 1.77Å | |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.41Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| O5' | C5' | sing | 1.43Å | 1.39Å | |
| N9 | C1' | sing | 1.40Å | 1.40Å | |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| O2' | C2' | sing | 1.36Å | 1.34Å | |
| C1' | C2' | doub | 1.35Å | 1.37Å | Aromatic |
| C1' | O4' | sing | 1.35Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C2' | C3' | sing | 1.42Å | 1.45Å | Aromatic |
| O4' | C4' | sing | 1.35Å | 1.36Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.39Å | |
| C3' | C4' | doub | 1.35Å | 1.38Å | Aromatic |
| C3' | O3' | sing | 1.36Å | 1.35Å | |
| C4' | C5' | sing | 1.51Å | 1.52Å | |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| C5' | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.08Å | 1.08Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| O2' | H18 | sing | 0.97Å | 0.95Å | |
| O3' | H19 | sing | 0.97Å | 0.95Å | |
| O3P | H20 | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 228.82Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 113.0° | 109.5° |
| N | CA | C | 103.6° | 109.4° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.4° | 111.0° |
| N | CA | HA | 108.0° | 109.5° |
| CB | CA | C | 118.2° | 109.4° |
| CA | CB | CG | 156.7° | 109.4° |
| CB | CA | HA | 106.7° | 109.5° |
| CA | CB | HB2 | 96.7° | 109.5° |
| CA | CB | HB3 | 96.7° | 109.5° |
| CA | C | OXT | 118.6° | 120.0° |
| C | CA | HA | 106.9° | 109.5° |
| CA | C | O | 110.9° | 120.0° |
| CB | CG | CD | 132.2° | 109.4° |
| CG | CB | HB2 | 96.7° | 109.5° |
| CG | CB | HB3 | 96.7° | 109.5° |
| CB | CG | HG2 | 103.5° | 109.5° |
| CB | CG | HG3 | 103.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| OXT | C | O | 58.9° | 120.0° |
| CG | CD | OE2 | 114.1° | 120.0° |
| CG | CD | OE1 | 115.0° | 120.0° |
| CD | CG | HG2 | 103.5° | 109.5° |
| CD | CG | HG3 | 103.5° | 109.5° |
| OE2 | CD | OE1 | 130.9° | 120.0° |
| CD | OE1 | P | 125.0° | 117.0° |
| OE1 | P | O2P | 95.1° | 109.5° |
| OE1 | P | O3P | 106.7° | 109.4° |
| OE1 | P | O5' | 127.4° | 109.5° |
| O2P | P | O3P | 117.0° | 109.5° |
| O2P | P | O5' | 100.8° | 109.5° |
| O3P | P | O5' | 109.5° | 109.5° |
| P | O3P | H20 | 109.5° | 114.0° |
| P | O5' | C5' | 119.6° | 123.0° |
| N7 | C8 | N9 | 113.4° | 110.0° |
| C8 | N7 | C5 | 105.7° | 109.5° |
| N7 | C8 | H15 | 123.3° | 125.0° |
| C8 | N9 | C1' | 125.7° | 126.3° |
| C8 | N9 | C4 | 104.8° | 107.4° |
| N9 | C8 | H15 | 123.3° | 125.0° |
| N7 | C5 | C4 | 108.7° | 107.2° |
| N7 | C5 | C6 | 133.9° | 134.7° |
| O5' | C5' | C4' | 113.0° | 109.5° |
| O5' | C5' | H13 | 108.6° | 109.4° |
| O5' | C5' | H14 | 108.6° | 109.5° |
| C1' | N9 | C4 | 129.4° | 126.2° |
| N9 | C1' | C2' | 134.8° | 125.8° |
| N9 | C1' | O4' | 115.8° | 125.8° |
| N9 | C4 | C5 | 107.4° | 105.9° |
| N9 | C4 | N3 | 127.4° | 135.0° |
| O2' | C2' | C1' | 125.0° | 126.6° |
| O2' | C2' | C3' | 129.2° | 126.6° |
| C2' | O2' | H18 | 109.5° | 114.0° |
| C2' | C1' | O4' | 109.3° | 108.3° |
| C1' | C2' | C3' | 105.8° | 106.8° |
| C1' | O4' | C4' | 109.2° | 109.5° |
| C4 | C5 | C6 | 117.4° | 118.1° |
| C5 | C4 | N3 | 125.2° | 119.1° |
| C5 | C6 | N6 | 124.9° | 120.8° |
| C5 | C6 | N1 | 117.9° | 118.5° |
| C2' | C3' | C4' | 107.1° | 106.9° |
| C2' | C3' | O3' | 127.0° | 126.6° |
| O4' | C4' | C3' | 108.5° | 108.5° |
| O4' | C4' | C5' | 118.3° | 125.7° |
| N6 | C6 | N1 | 117.3° | 120.7° |
| C6 | N6 | H16 | 109.5° | 120.0° |
| C6 | N6 | H17 | 109.5° | 120.0° |
| C4' | C3' | O3' | 125.9° | 126.6° |
| C3' | C4' | C5' | 133.1° | 125.7° |
| C3' | O3' | H19 | 109.5° | 114.0° |
| C4' | C5' | H13 | 108.6° | 109.5° |
| C4' | C5' | H14 | 108.6° | 109.5° |
| C4 | N3 | C2 | 112.1° | 120.7° |
| C6 | N1 | C2 | 118.6° | 121.2° |
| N3 | C2 | N1 | 128.8° | 122.5° |
| N3 | C2 | H1 | 115.6° | 118.7° |
| N1 | C2 | H1 | 115.6° | 118.8° |
| H2 | N | H | 109.5° | 111.1° |
| HB2 | CB | HB3 | 109.4° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| H13 | C5' | H14 | 109.5° | 109.5° |
| H16 | N6 | H17 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 121.1° | 119.9° |
| N | CA | CB | HA | 118.6° | 120.1° |
| N | CA | C | HA | 113.9° | 120.0° |
| N | CA | CB | CG | 157.2° | 65.0° |
| N | CA | C | OXT | 145.1° | 160.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | CB | HB2 | 78.1° | 54.9° |
| N | CA | CB | HB3 | 32.5° | 175.0° |
| N | CA | C | O | 80.1° | 20.0° |
| CB | CA | C | HA | 120.2° | 120.0° |
| CA | CB | CG | HB2 | 124.7° | 120.0° |
| CA | CB | CG | HB3 | 124.7° | 120.0° |
| CB | CA | C | OXT | 89.0° | 80.0° |
| CA | CB | CG | CD | 97.0° | 180.0° |
| CB | CA | N | H2 | 180.0° | 176.1° |
| CB | CA | N | H | 60.0° | 60.0° |
| CA | CB | HB2 | HB3 | 99.5° | 120.0° |
| CA | CB | CG | HG2 | 25.8° | 60.0° |
| CA | CB | CG | HG3 | 140.1° | 60.0° |
| CB | CA | C | O | 154.1° | 100.0° |
| C | CA | CB | CG | 36.1° | 175.0° |
| CA | C | OXT | O | 98.3° | 180.0° |
| C | CA | N | H2 | 51.0° | 64.0° |
| C | CA | N | H | 69.0° | 60.0° |
| CA | C | OXT | HXT | 98.4° | 180.0° |
| C | CA | CB | HB2 | 160.8° | 65.0° |
| C | CA | CB | HB3 | 88.6° | 55.0° |
| CB | CG | CD | HG2 | 122.9° | 120.0° |
| CB | CG | CD | HG3 | 122.9° | 120.0° |
| CB | CG | CD | OE2 | 96.7° | 0.0° |
| CB | CG | CD | OE1 | 82.9° | 180.0° |
| CG | CB | CA | HA | 84.2° | 55.0° |
| CG | CB | HB2 | HB3 | 99.5° | 120.0° |
| CB | CG | HG2 | HG3 | 109.9° | 120.0° |
| OXT | C | CA | HA | 31.2° | 40.0° |
| CG | CD | OE2 | OE1 | 179.5° | 179.9° |
| CG | CD | OE1 | P | 167.2° | 180.0° |
| CD | CG | CB | HB2 | 138.3° | 60.0° |
| CD | CG | CB | HB3 | 27.7° | 60.0° |
| CD | CG | HG2 | HG3 | 109.9° | 120.0° |
| OE2 | CD | OE1 | P | 12.3° | 0.0° |
| OE2 | CD | CG | HG2 | 140.4° | 120.0° |
| OE2 | CD | CG | HG3 | 26.2° | 120.0° |
| CD | OE1 | P | O2P | 46.3° | 55.0° |
| CD | OE1 | P | O3P | 74.0° | 65.0° |
| CD | OE1 | P | O5' | 154.1° | 175.0° |
| OE1 | CD | CG | HG2 | 40.0° | 60.0° |
| OE1 | CD | CG | HG3 | 154.2° | 60.0° |
| OE1 | P | O2P | O3P | 111.7° | 120.0° |
| OE1 | P | O2P | O5' | 129.6° | 120.0° |
| OE1 | P | O3P | O5' | 141.2° | 120.0° |
| OE1 | P | O5' | C5' | 179.7° | 175.0° |
| OE1 | P | O3P | H20 | 105.0° | 60.0° |
| O2P | P | O3P | O5' | 113.8° | 120.0° |
| O2P | P | O5' | C5' | 74.6° | 55.0° |
| O2P | P | O3P | H20 | 0.0° | 180.0° |
| O3P | P | O5' | C5' | 49.3° | 65.0° |
| P | O5' | C5' | C4' | 38.0° | 180.0° |
| P | O5' | C5' | H13 | 158.5° | 60.0° |
| P | O5' | C5' | H14 | 82.5° | 60.0° |
| O5' | P | O3P | H20 | 113.8° | 59.9° |
| N7 | C8 | N9 | H15 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 178.4° | 180.0° |
| N7 | C8 | N9 | C4 | 1.1° | 0.0° |
| C8 | N7 | C5 | C4 | 0.3° | 0.0° |
| C8 | N7 | C5 | C6 | 179.8° | 179.7° |
| N9 | C8 | N7 | C5 | 0.5° | 0.0° |
| C8 | N9 | C1' | C4 | 176.6° | 180.0° |
| C8 | N9 | C1' | C2' | 97.1° | 0.1° |
| C8 | N9 | C1' | O4' | 80.7° | 179.7° |
| C8 | N9 | C4 | C5 | 1.2° | 0.0° |
| C8 | N9 | C4 | N3 | 180.0° | 180.0° |
| N7 | C5 | C4 | N9 | 1.0° | 0.0° |
| N7 | C5 | C4 | C6 | 180.0° | 179.8° |
| N7 | C5 | C6 | N6 | 0.4° | 0.3° |
| N7 | C5 | C4 | N3 | 179.8° | 180.0° |
| N7 | C5 | C6 | N1 | 179.9° | 180.0° |
| C5 | N7 | C8 | H15 | 179.5° | 179.9° |
| O5' | C5' | C4' | O4' | 77.0° | 90.0° |
| O5' | C5' | C4' | C3' | 101.2° | 90.0° |
| O5' | C5' | C4' | H13 | 120.5° | 120.0° |
| O5' | C5' | C4' | H14 | 120.5° | 120.0° |
| O5' | C5' | H13 | H14 | 118.4° | 120.0° |
| N9 | C1' | C2' | O2' | 2.2° | 0.1° |
| N9 | C1' | C2' | O4' | 177.8° | 179.8° |
| C1' | N9 | C4 | C5 | 178.4° | 180.0° |
| N9 | C1' | C2' | C3' | 178.3° | 179.7° |
| N9 | C1' | O4' | C4' | 179.1° | 179.8° |
| C1' | N9 | C4 | N3 | 2.8° | 0.0° |
| C1' | N9 | C8 | H15 | 1.6° | 0.1° |
| C4 | N9 | C1' | C2' | 86.3° | 179.9° |
| C4 | N9 | C1' | O4' | 96.0° | 0.3° |
| N9 | C4 | C5 | N3 | 178.8° | 180.0° |
| N9 | C4 | C5 | C6 | 179.1° | 179.8° |
| N9 | C4 | N3 | C2 | 178.8° | 180.0° |
| C4 | N9 | C8 | H15 | 178.9° | 180.0° |
| O2' | C2' | C1' | C3' | 179.5° | 179.9° |
| O2' | C2' | C1' | O4' | 180.0° | 179.9° |
| O2' | C2' | C3' | C4' | 179.5° | 179.9° |
| O2' | C2' | C3' | O3' | 0.1° | 0.1° |
| C2' | C1' | O4' | C4' | 0.8° | 0.0° |
| C1' | C2' | C3' | C4' | 0.0° | 0.1° |
| C1' | C2' | C3' | O3' | 179.5° | 180.0° |
| C1' | C2' | O2' | H18 | 180.0° | 90.0° |
| O4' | C1' | C2' | C3' | 0.5° | 0.1° |
| C1' | O4' | C4' | C3' | 0.7° | 0.0° |
| C1' | O4' | C4' | C5' | 179.4° | 180.0° |
| C4 | C5 | C6 | N6 | 179.6° | 180.0° |
| C4 | C5 | C6 | N1 | 0.0° | 0.3° |
| C5 | C4 | N3 | C2 | 0.2° | 0.0° |
| C5 | C6 | N6 | N1 | 179.5° | 179.7° |
| C6 | C5 | C4 | N3 | 0.3° | 0.2° |
| C5 | C6 | N1 | C2 | 0.4° | 0.1° |
| C5 | C6 | N6 | H16 | 179.5° | 0.0° |
| C5 | C6 | N6 | H17 | 59.5° | 180.0° |
| C2' | C3' | C4' | O4' | 0.4° | 0.1° |
| C2' | C3' | C4' | O3' | 179.6° | 179.9° |
| C2' | C3' | C4' | C5' | 178.8° | 180.0° |
| C3' | C2' | O2' | H18 | 0.6° | 90.1° |
| C2' | C3' | O3' | H19 | 180.0° | 90.0° |
| O4' | C4' | C3' | C5' | 178.3° | 180.0° |
| O4' | C4' | C3' | O3' | 180.0° | 180.0° |
| O4' | C4' | C5' | H13 | 162.5° | 30.0° |
| O4' | C4' | C5' | H14 | 43.5° | 150.0° |
| N6 | C6 | N1 | C2 | 179.9° | 179.8° |
| C6 | N6 | H16 | H17 | 120.0° | 180.0° |
| C3' | C4' | C5' | H13 | 19.3° | 150.0° |
| C3' | C4' | C5' | H14 | 138.3° | 30.0° |
| C4' | C3' | O3' | H19 | 0.5° | 89.9° |
| O3' | C3' | C4' | C5' | 1.7° | 0.0° |
| C4' | C5' | H13 | H14 | 118.4° | 120.0° |
| C4 | N3 | C2 | N1 | 0.2° | 0.2° |
| C4 | N3 | C2 | H1 | 179.8° | 180.0° |
| C6 | N1 | C2 | N3 | 0.5° | 0.1° |
| C6 | N1 | C2 | H1 | 179.5° | 179.9° |
| N1 | C6 | N6 | H16 | 0.0° | 179.7° |
| N1 | C6 | N6 | H17 | 120.0° | 0.3° |
| N3 | C2 | N1 | H1 | 180.0° | 179.8° |
| H2 | N | CA | HA | 62.2° | 56.0° |
| H | N | CA | HA | 177.8° | 180.0° |
| HA | CA | CB | HB2 | 40.5° | 175.0° |
| HA | CA | CB | HB3 | 151.1° | 65.0° |
| HA | CA | C | O | 33.9° | 140.0° |
| HXT | OXT | C | O | 0.0° | 0.0° |
| HB2 | CB | CG | HG2 | 98.9° | 180.0° |
| HB2 | CB | CG | HG3 | 15.4° | 60.0° |
| HB3 | CB | CG | HG2 | 150.6° | 60.0° |
| HB3 | CB | CG | HG3 | 95.2° | 180.0° |
