WFU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.33Å | |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.32Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.48Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.33Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.34Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.47Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.51Å | |
| C1' | O4' | sing | 1.44Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.46Å | |
| C2' | C3' | sing | 1.55Å | 1.49Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.58Å | |
| O5' | P | sing | 1.61Å | 1.67Å | |
| C3' | C4' | sing | 1.54Å | 1.57Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| OP1 | P | doub | 1.48Å | 1.52Å | |
| P | N | sing | 1.68Å | 1.62Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OE1 | CD | doub | 1.21Å | 1.26Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.51Å | 1.54Å | |
| CD | OE2 | sing | 1.34Å | 1.25Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CG | H5 | sing | 1.09Å | 1.10Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| C1' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| O2' | H9 | sing | 0.97Å | 0.95Å | |
| OP2 | H10 | sing | 0.97Å | 0.95Å | |
| C3' | H11 | sing | 1.09Å | 1.10Å | |
| O3' | H12 | sing | 0.97Å | 0.95Å | |
| C4' | H13 | sing | 1.09Å | 1.10Å | |
| C5' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| OE2 | H16 | sing | 0.97Å | 0.95Å | |
| OXT | H17 | sing | 0.97Å | 0.95Å | |
| N | H18 | sing | 1.01Å | 1.00Å | |
| C8 | H19 | sing | 1.08Å | 1.08Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | N1 | 120.9° | 120.8° |
| N6 | C6 | C5 | 116.0° | 120.8° |
| C6 | N6 | H20 | 109.5° | 120.0° |
| C6 | N6 | H21 | 109.5° | 120.0° |
| N1 | C6 | C5 | 122.7° | 118.5° |
| C6 | N1 | C2 | 121.9° | 121.2° |
| C6 | C5 | N7 | 131.0° | 134.6° |
| C6 | C5 | C4 | 120.9° | 118.2° |
| N1 | C2 | N3 | 108.8° | 122.4° |
| N1 | C2 | H1 | 125.6° | 118.8° |
| N7 | C5 | C4 | 108.0° | 107.2° |
| C5 | N7 | C8 | 108.5° | 109.3° |
| C5 | C4 | N3 | 119.9° | 119.1° |
| C5 | C4 | N9 | 108.0° | 106.0° |
| N7 | C8 | N9 | 107.9° | 110.0° |
| N7 | C8 | H19 | 126.1° | 125.0° |
| C2 | N3 | C4 | 125.2° | 120.7° |
| N3 | C2 | H1 | 125.6° | 118.8° |
| N3 | C4 | N9 | 132.0° | 134.9° |
| C4 | N9 | C8 | 107.5° | 107.5° |
| C4 | N9 | C1' | 130.2° | 126.3° |
| C8 | N9 | C1' | 122.3° | 126.2° |
| N9 | C8 | H19 | 126.1° | 125.0° |
| N9 | C1' | O4' | 113.8° | 110.4° |
| N9 | C1' | C2' | 109.9° | 110.4° |
| N9 | C1' | H7 | 109.0° | 110.4° |
| O4' | C1' | C2' | 105.6° | 104.8° |
| C1' | O4' | C4' | 108.3° | 105.3° |
| O4' | C1' | H7 | 109.7° | 110.4° |
| C1' | C2' | C3' | 101.5° | 104.0° |
| C1' | C2' | O2' | 112.5° | 110.5° |
| C2' | C1' | H7 | 108.8° | 110.3° |
| C1' | C2' | H8 | 110.0° | 110.5° |
| O4' | C4' | C5' | 107.2° | 110.5° |
| O4' | C4' | C3' | 105.1° | 104.8° |
| O4' | C4' | H13 | 109.8° | 110.4° |
| C3' | C2' | O2' | 110.5° | 110.5° |
| C2' | C3' | C4' | 104.7° | 104.0° |
| C2' | C3' | O3' | 104.6° | 110.5° |
| C3' | C2' | H8 | 110.5° | 110.5° |
| C2' | C3' | H11 | 111.0° | 110.5° |
| O2' | C2' | H8 | 111.5° | 110.6° |
| C2' | O2' | H9 | 109.5° | 114.1° |
| O5' | C5' | C4' | 111.2° | 109.5° |
| C5' | O5' | P | 124.3° | 123.0° |
| O5' | C5' | H14 | 109.0° | 109.5° |
| O5' | C5' | H15 | 109.0° | 109.5° |
| C5' | C4' | C3' | 117.9° | 110.4° |
| C5' | C4' | H13 | 108.3° | 110.3° |
| C4' | C5' | H14 | 109.0° | 109.5° |
| C4' | C5' | H15 | 109.0° | 109.4° |
| O5' | P | OP1 | 116.4° | 109.5° |
| O5' | P | N | 99.9° | 109.5° |
| O5' | P | OP2 | 101.4° | 109.5° |
| C4' | C3' | O3' | 114.1° | 110.5° |
| C4' | C3' | H11 | 109.9° | 110.5° |
| C3' | C4' | H13 | 108.4° | 110.4° |
| O3' | C3' | H11 | 112.1° | 110.6° |
| C3' | O3' | H12 | 109.5° | 114.0° |
| OP1 | P | N | 107.6° | 109.5° |
| OP1 | P | OP2 | 118.6° | 109.5° |
| N | P | OP2 | 111.5° | 109.5° |
| P | N | CA | 108.4° | 111.0° |
| P | N | H18 | 109.8° | 111.0° |
| P | OP2 | H10 | 109.5° | 114.0° |
| N | CA | C | 109.4° | 109.5° |
| N | CA | CB | 114.5° | 109.5° |
| N | CA | H2 | 108.5° | 109.5° |
| CA | N | H18 | 109.7° | 111.0° |
| O | C | CA | 116.6° | 120.0° |
| O | C | OXT | 128.3° | 120.0° |
| C | CA | CB | 108.9° | 109.4° |
| CA | C | OXT | 115.1° | 120.0° |
| C | CA | H2 | 108.0° | 109.5° |
| CA | CB | CG | 113.9° | 109.4° |
| CB | CA | H2 | 107.4° | 109.5° |
| CA | CB | H3 | 108.4° | 109.5° |
| CA | CB | H4 | 108.4° | 109.5° |
| C | OXT | H17 | 109.5° | 117.0° |
| OE1 | CD | CG | 118.0° | 120.0° |
| OE1 | CD | OE2 | 124.5° | 120.0° |
| CB | CG | CD | 107.6° | 109.5° |
| CG | CB | H3 | 108.3° | 109.4° |
| CG | CB | H4 | 108.3° | 109.5° |
| CB | CG | H5 | 109.9° | 109.5° |
| CB | CG | H6 | 109.9° | 109.5° |
| CG | CD | OE2 | 117.5° | 120.0° |
| CD | CG | H5 | 109.9° | 109.5° |
| CD | CG | H6 | 110.0° | 109.5° |
| CD | OE2 | H16 | 109.5° | 117.0° |
| H3 | CB | H4 | 109.5° | 109.5° |
| H5 | CG | H6 | 109.4° | 109.5° |
| H14 | C5' | H15 | 109.5° | 109.5° |
| H20 | N6 | H21 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | N1 | C5 | 172.3° | 180.0° |
| N6 | C6 | N1 | C2 | 179.1° | 180.0° |
| N6 | C6 | C5 | N7 | 3.7° | 0.0° |
| N6 | C6 | C5 | C4 | 178.5° | 180.0° |
| C6 | N6 | H20 | H21 | 120.0° | 180.0° |
| N1 | C6 | C5 | N7 | 176.3° | 180.0° |
| N1 | C6 | C5 | C4 | 5.8° | 0.0° |
| C6 | N1 | C2 | N3 | 7.5° | 0.0° |
| C6 | N1 | C2 | H1 | 172.5° | 180.0° |
| N1 | C6 | N6 | H20 | 0.0° | 0.1° |
| N1 | C6 | N6 | H21 | 120.0° | 180.0° |
| C5 | C6 | N1 | C2 | 8.6° | 0.0° |
| C6 | C5 | N7 | C4 | 178.1° | 180.0° |
| C6 | C5 | N7 | C8 | 176.1° | 180.0° |
| C6 | C5 | C4 | N3 | 2.9° | 0.0° |
| C6 | C5 | C4 | N9 | 176.4° | 180.0° |
| C5 | C6 | N6 | H20 | 172.8° | 180.0° |
| C5 | C6 | N6 | H21 | 52.8° | 0.0° |
| N1 | C2 | N3 | H1 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 5.0° | 0.0° |
| N7 | C5 | C4 | N3 | 178.8° | 180.0° |
| N7 | C5 | C4 | N9 | 1.9° | 0.0° |
| C5 | N7 | C8 | N9 | 1.3° | 0.0° |
| C5 | N7 | C8 | H19 | 178.7° | 180.0° |
| C4 | C5 | N7 | C8 | 2.0° | 0.0° |
| C5 | C4 | N3 | C2 | 3.1° | 0.0° |
| C5 | C4 | N3 | N9 | 179.2° | 179.9° |
| C5 | C4 | N9 | C8 | 1.1° | 0.0° |
| C5 | C4 | N9 | C1' | 179.1° | 180.0° |
| N7 | C8 | N9 | C4 | 0.1° | 0.0° |
| N7 | C8 | N9 | H19 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 179.7° | 180.0° |
| C2 | N3 | C4 | N9 | 176.1° | 180.0° |
| N3 | C4 | N9 | C8 | 179.7° | 180.0° |
| N3 | C4 | N9 | C1' | 0.2° | 0.1° |
| C4 | N3 | C2 | H1 | 174.9° | 180.0° |
| C4 | N9 | C8 | C1' | 179.9° | 179.9° |
| C4 | N9 | C1' | O4' | 24.4° | 156.5° |
| C4 | N9 | C1' | C2' | 142.6° | 88.1° |
| C4 | N9 | C1' | H7 | 98.3° | 34.1° |
| C4 | N9 | C8 | H19 | 179.9° | 180.0° |
| C8 | N9 | C1' | O4' | 155.4° | 23.6° |
| C8 | N9 | C1' | C2' | 37.2° | 91.8° |
| C8 | N9 | C1' | H7 | 81.9° | 145.9° |
| N9 | C1' | O4' | C2' | 120.6° | 118.9° |
| N9 | C1' | O4' | H7 | 122.3° | 122.3° |
| N9 | C1' | C2' | H7 | 119.2° | 122.3° |
| N9 | C1' | O4' | C4' | 93.0° | 159.3° |
| N9 | C1' | C2' | C3' | 84.6° | 142.9° |
| N9 | C1' | C2' | O2' | 157.3° | 98.5° |
| N9 | C1' | C2' | H8 | 32.4° | 24.2° |
| C1' | N9 | C8 | H19 | 0.3° | 0.0° |
| O4' | C1' | C2' | H7 | 117.7° | 118.8° |
| O4' | C1' | C2' | C3' | 38.5° | 24.0° |
| O4' | C1' | C2' | O2' | 79.6° | 142.6° |
| C1' | O4' | C4' | C5' | 120.6° | 159.4° |
| C1' | O4' | C4' | C3' | 5.6° | 40.5° |
| O4' | C1' | C2' | H8 | 155.5° | 94.7° |
| C1' | O4' | C4' | H13 | 122.0° | 78.4° |
| C2' | C1' | O4' | C4' | 27.6° | 40.5° |
| C1' | C2' | C3' | O2' | 119.5° | 118.7° |
| C1' | C2' | C3' | H8 | 116.6° | 118.6° |
| C1' | C2' | O2' | H8 | 124.1° | 122.7° |
| C1' | C2' | C3' | C4' | 34.1° | 0.0° |
| C1' | C2' | C3' | O3' | 154.5° | 118.7° |
| C1' | C2' | O2' | H9 | 180.0° | 180.0° |
| C1' | C2' | C3' | H11 | 84.4° | 118.6° |
| O4' | C4' | C3' | C2' | 18.7° | 24.0° |
| O4' | C4' | C5' | O5' | 135.7° | 69.5° |
| O4' | C4' | C5' | C3' | 118.2° | 115.5° |
| O4' | C4' | C5' | H13 | 118.5° | 122.3° |
| O4' | C4' | C3' | H13 | 117.4° | 118.9° |
| O4' | C4' | C3' | O3' | 132.5° | 142.6° |
| C4' | O4' | C1' | H7 | 144.6° | 78.3° |
| O4' | C4' | C3' | H11 | 100.6° | 94.6° |
| O4' | C4' | C5' | H14 | 104.0° | 170.5° |
| O4' | C4' | C5' | H15 | 15.5° | 50.5° |
| C3' | C2' | O2' | H8 | 123.3° | 122.7° |
| C2' | C3' | C4' | C5' | 138.0° | 142.9° |
| C2' | C3' | C4' | O3' | 113.8° | 118.6° |
| C2' | C3' | C4' | H11 | 119.3° | 118.6° |
| C2' | C3' | O3' | H11 | 120.4° | 122.7° |
| C3' | C2' | C1' | H7 | 156.2° | 94.9° |
| C3' | C2' | O2' | H9 | 67.4° | 65.3° |
| C2' | C3' | O3' | H12 | 180.0° | 61.5° |
| C2' | C3' | C4' | H13 | 98.6° | 94.9° |
| O2' | C2' | C3' | C4' | 85.4° | 118.7° |
| O2' | C2' | C3' | O3' | 34.9° | 0.0° |
| O2' | C2' | C1' | H7 | 38.1° | 23.8° |
| O2' | C2' | C3' | H11 | 156.1° | 122.7° |
| O5' | C5' | C4' | H14 | 120.2° | 120.0° |
| O5' | C5' | C4' | H15 | 120.2° | 120.0° |
| O5' | C5' | C4' | C3' | 17.6° | 175.0° |
| C5' | O5' | P | OP1 | 134.1° | 50.0° |
| C5' | O5' | P | N | 110.4° | 70.0° |
| C5' | O5' | P | OP2 | 4.0° | 170.0° |
| O5' | C5' | C4' | H13 | 105.8° | 52.8° |
| O5' | C5' | H14 | H15 | 119.2° | 120.1° |
| C4' | C5' | O5' | P | 83.8° | 180.0° |
| C5' | C4' | C3' | H13 | 123.3° | 122.2° |
| C5' | C4' | C3' | O3' | 108.2° | 98.4° |
| C5' | C4' | C3' | H11 | 18.7° | 24.3° |
| C4' | C5' | H14 | H15 | 119.2° | 120.0° |
| O5' | P | OP1 | N | 111.0° | 120.0° |
| O5' | P | OP1 | OP2 | 121.4° | 120.0° |
| O5' | P | N | OP2 | 106.5° | 120.0° |
| O5' | P | N | CA | 169.1° | 60.0° |
| O5' | P | OP2 | H10 | 128.8° | 60.0° |
| P | O5' | C5' | H14 | 36.4° | 60.0° |
| P | O5' | C5' | H15 | 155.9° | 60.0° |
| O5' | P | N | H18 | 49.3° | 63.9° |
| C4' | C3' | O3' | H11 | 125.8° | 122.7° |
| C4' | C3' | C2' | H8 | 150.7° | 118.6° |
| C4' | C3' | O3' | H12 | 66.2° | 176.1° |
| C3' | C4' | C5' | H14 | 137.8° | 55.0° |
| C3' | C4' | C5' | H15 | 102.7° | 65.0° |
| O3' | C3' | C2' | H8 | 88.9° | 122.7° |
| O3' | C3' | C4' | H13 | 15.1° | 23.7° |
| OP1 | P | N | OP2 | 131.6° | 120.0° |
| OP1 | P | N | CA | 69.0° | 180.0° |
| OP1 | P | OP2 | H10 | 0.0° | 180.0° |
| OP1 | P | N | H18 | 171.2° | 56.1° |
| P | N | CA | H18 | 119.8° | 123.9° |
| P | N | CA | C | 171.1° | 95.0° |
| P | N | CA | CB | 66.4° | 145.0° |
| P | N | CA | H2 | 53.6° | 25.0° |
| N | P | OP2 | H10 | 125.7° | 60.0° |
| OP2 | P | N | CA | 62.6° | 60.0° |
| OP2 | P | N | H18 | 57.2° | 176.1° |
| N | CA | C | O | 17.6° | 0.0° |
| N | CA | C | CB | 125.9° | 120.0° |
| N | CA | C | H2 | 117.8° | 120.0° |
| N | CA | CB | H2 | 120.5° | 120.1° |
| N | CA | C | OXT | 162.1° | 179.9° |
| N | CA | CB | CG | 45.1° | 65.0° |
| N | CA | CB | H3 | 165.8° | 54.9° |
| N | CA | CB | H4 | 75.5° | 175.0° |
| O | C | CA | OXT | 179.7° | 179.9° |
| O | C | CA | CB | 108.3° | 120.0° |
| O | C | CA | H2 | 135.4° | 120.0° |
| O | C | OXT | H17 | 0.0° | 0.1° |
| C | CA | CB | H2 | 116.7° | 120.0° |
| C | CA | CB | CG | 77.7° | 175.0° |
| C | CA | CB | H3 | 42.9° | 65.0° |
| C | CA | CB | H4 | 161.6° | 55.0° |
| CA | C | OXT | H17 | 179.7° | 180.0° |
| C | CA | N | H18 | 69.1° | 141.1° |
| CB | CA | C | OXT | 72.0° | 60.0° |
| CA | CB | CG | H3 | 120.7° | 120.0° |
| CA | CB | CG | H4 | 120.7° | 120.0° |
| CA | CB | CG | CD | 139.9° | 180.0° |
| CA | CB | H3 | H4 | 118.0° | 120.1° |
| CA | CB | CG | H5 | 20.1° | 60.0° |
| CA | CB | CG | H6 | 100.4° | 60.0° |
| CB | CA | N | H18 | 53.5° | 21.1° |
| OXT | C | CA | H2 | 44.3° | 60.0° |
| OE1 | CD | CG | CB | 118.7° | 0.0° |
| OE1 | CD | CG | OE2 | 178.1° | 180.0° |
| OE1 | CD | CG | H5 | 1.1° | 120.0° |
| OE1 | CD | CG | H6 | 121.6° | 120.0° |
| OE1 | CD | OE2 | H16 | 0.0° | 0.0° |
| CB | CG | CD | H5 | 119.7° | 120.0° |
| CB | CG | CD | H6 | 119.7° | 120.0° |
| CB | CG | CD | OE2 | 63.2° | 180.0° |
| CG | CB | CA | H2 | 165.6° | 55.0° |
| CG | CB | H3 | H4 | 117.9° | 120.0° |
| CB | CG | H5 | H6 | 120.8° | 120.0° |
| CD | CG | CB | H3 | 99.4° | 60.0° |
| CD | CG | CB | H4 | 19.2° | 60.0° |
| CD | CG | H5 | H6 | 120.9° | 120.0° |
| CG | CD | OE2 | H16 | 178.0° | 180.0° |
| OE2 | CD | CG | H5 | 177.0° | 60.0° |
| OE2 | CD | CG | H6 | 56.5° | 60.0° |
| H2 | CA | CB | H3 | 73.7° | 175.0° |
| H2 | CA | CB | H4 | 45.0° | 65.0° |
| H2 | CA | N | H18 | 173.4° | 99.0° |
| H3 | CB | CG | H5 | 140.8° | 180.0° |
| H3 | CB | CG | H6 | 20.3° | 60.0° |
| H4 | CB | CG | H5 | 100.5° | 60.0° |
| H4 | CB | CG | H6 | 139.0° | 180.0° |
| H7 | C1' | C2' | H8 | 86.9° | 146.5° |
| H8 | C2' | O2' | H9 | 55.9° | 57.3° |
| H8 | C2' | C3' | H11 | 32.2° | 0.0° |
| H11 | C3' | O3' | H12 | 59.6° | 61.2° |
| H11 | C3' | C4' | H13 | 142.0° | 146.5° |
| H13 | C4' | C5' | H14 | 14.4° | 67.2° |
| H13 | C4' | C5' | H15 | 133.9° | 172.8° |
