EXA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C8 | doub | 1.21Å | 1.25Å | |
| O11 | C8 | sing | 1.35Å | 1.25Å | |
| C8 | C7 | sing | 1.48Å | 1.46Å | |
| C7 | C9 | sing | 1.51Å | 1.32Å | |
| C7 | N3 | doub | 1.28Å | 1.34Å | |
| OP1 | P | doub | 1.48Å | 1.51Å | |
| N3 | C4' | sing | 1.46Å | 1.46Å | |
| C4' | NZ | sing | 1.47Å | 1.48Å | |
| C4' | C4 | sing | 1.51Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| P | OP3 | sing | 1.61Å | 1.51Å | |
| P | OP4 | sing | 1.61Å | 1.60Å | |
| CE | NZ | sing | 1.47Å | 1.48Å | |
| CE | CD | sing | 1.53Å | 1.53Å | |
| C5' | OP4 | sing | 1.43Å | 1.42Å | |
| C5' | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.39Å | 1.49Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.48Å | Aromatic |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| O3 | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C2 | doub | 1.39Å | 1.49Å | Aromatic |
| O | C | doub | 1.21Å | 1.25Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| C6 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | C2' | sing | 1.51Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| 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 | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| NZ | HZ1 | sing | 1.01Å | 1.00Å | |
| C4' | H15 | sing | 1.09Å | 1.10Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| C2' | H18 | sing | 1.09Å | 1.10Å | |
| C2' | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C5' | H21 | sing | 1.09Å | 1.10Å | |
| C5' | H22 | sing | 1.09Å | 1.10Å | |
| OP2 | H23 | sing | 0.97Å | 0.95Å | |
| OP3 | H24 | sing | 0.97Å | 0.95Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| O11 | H28 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C8 | O11 | 121.9° | 120.0° |
| O10 | C8 | C7 | 118.9° | 120.0° |
| O11 | C8 | C7 | 119.2° | 120.0° |
| C8 | O11 | H28 | 109.5° | 117.0° |
| C8 | C7 | C9 | 118.5° | 120.0° |
| C8 | C7 | N3 | 121.0° | 120.1° |
| C9 | C7 | N3 | 120.5° | 120.0° |
| C7 | C9 | H25 | 109.5° | 109.4° |
| C7 | C9 | H26 | 109.5° | 109.5° |
| C7 | C9 | H27 | 109.5° | 109.5° |
| C7 | N3 | C4' | 122.5° | 120.1° |
| OP1 | P | OP2 | 110.6° | 109.5° |
| OP1 | P | OP3 | 109.9° | 109.5° |
| OP1 | P | OP4 | 109.0° | 109.5° |
| N3 | C4' | NZ | 111.2° | 109.5° |
| N3 | C4' | C4 | 111.7° | 109.5° |
| N3 | C4' | H15 | 108.5° | 109.4° |
| NZ | C4' | C4 | 109.0° | 109.5° |
| C4' | NZ | CE | 111.0° | 111.1° |
| C4' | NZ | HZ1 | 109.1° | 111.0° |
| NZ | C4' | H15 | 108.2° | 109.4° |
| C4' | C4 | C5 | 123.3° | 120.8° |
| C4' | C4 | C3 | 120.7° | 120.8° |
| C4 | C4' | H15 | 108.1° | 109.5° |
| OP2 | P | OP3 | 111.7° | 109.4° |
| OP2 | P | OP4 | 108.1° | 109.5° |
| P | OP2 | H23 | 109.5° | 114.0° |
| OP3 | P | OP4 | 107.4° | 109.5° |
| P | OP3 | H24 | 109.5° | 114.0° |
| P | OP4 | C5' | 118.8° | 123.0° |
| NZ | CE | CD | 110.6° | 109.5° |
| NZ | CE | HE2 | 109.2° | 109.5° |
| NZ | CE | HE3 | 109.2° | 109.4° |
| CE | NZ | HZ1 | 109.1° | 110.9° |
| CE | CD | CG | 111.9° | 109.5° |
| CE | CD | HD2 | 108.9° | 109.5° |
| CE | CD | HD3 | 108.9° | 109.4° |
| CD | CE | HE2 | 109.2° | 109.5° |
| CD | CE | HE3 | 109.2° | 109.4° |
| OP4 | C5' | C5 | 110.7° | 109.5° |
| OP4 | C5' | H21 | 109.2° | 109.4° |
| OP4 | C5' | H22 | 109.2° | 109.4° |
| C5' | C5 | C4 | 122.1° | 120.4° |
| C5' | C5 | C6 | 118.2° | 120.4° |
| C5 | C5' | H21 | 109.2° | 109.5° |
| C5 | C5' | H22 | 109.2° | 109.5° |
| C5 | C4 | C3 | 116.0° | 118.4° |
| C4 | C5 | C6 | 119.7° | 119.2° |
| C4 | C3 | O3 | 121.2° | 120.4° |
| C4 | C3 | C2 | 118.2° | 119.1° |
| CD | CG | CB | 111.4° | 109.5° |
| CD | CG | HG2 | 109.0° | 109.5° |
| CD | CG | HG3 | 109.0° | 109.5° |
| CG | CD | HD2 | 108.9° | 109.5° |
| CG | CD | HD3 | 108.9° | 109.5° |
| CG | CB | CA | 111.9° | 109.5° |
| CG | CB | HB2 | 108.9° | 109.5° |
| CG | CB | HB3 | 108.9° | 109.5° |
| CB | CG | HG2 | 109.0° | 109.5° |
| CB | CG | HG3 | 109.0° | 109.5° |
| C5 | C6 | N1 | 123.1° | 120.9° |
| C5 | C6 | H20 | 118.5° | 119.6° |
| O3 | C3 | C2 | 120.6° | 120.5° |
| C3 | O3 | H16 | 109.5° | 114.0° |
| C3 | C2 | N1 | 120.3° | 120.7° |
| C3 | C2 | C2' | 120.0° | 119.7° |
| O | C | CA | 118.3° | 120.0° |
| O | C | OXT | 116.5° | 120.1° |
| CB | CA | N | 111.2° | 109.4° |
| CB | CA | C | 109.7° | 109.5° |
| CB | CA | HA | 107.5° | 109.5° |
| CA | CB | HB2 | 108.9° | 109.5° |
| CA | CB | HB3 | 108.9° | 109.5° |
| N | CA | C | 112.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.0° | 109.5° |
| CA | C | OXT | 117.7° | 120.0° |
| C | CA | HA | 107.7° | 109.5° |
| C6 | N1 | C2 | 122.8° | 121.7° |
| N1 | C6 | H20 | 118.5° | 119.5° |
| N1 | C2 | C2' | 119.7° | 119.6° |
| C2 | C2' | H17 | 109.5° | 109.4° |
| C2 | C2' | H18 | 109.5° | 109.5° |
| C2 | C2' | H19 | 109.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.4° | 110.9° |
| HB2 | CB | HB3 | 109.4° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.4° | 109.5° |
| HE2 | CE | HE3 | 109.5° | 109.5° |
| H17 | C2' | H18 | 109.5° | 109.5° |
| H17 | C2' | H19 | 109.5° | 109.5° |
| H18 | C2' | H19 | 109.5° | 109.5° |
| H21 | C5' | H22 | 109.5° | 109.5° |
| H25 | C9 | H26 | 109.5° | 109.5° |
| H25 | C9 | H27 | 109.4° | 109.5° |
| H26 | C9 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C8 | O11 | C7 | 179.4° | 179.9° |
| O10 | C8 | C7 | C9 | 58.6° | 0.0° |
| O10 | C8 | C7 | N3 | 121.8° | 180.0° |
| O10 | C8 | O11 | H28 | 0.0° | 0.0° |
| O11 | C8 | C7 | C9 | 120.8° | 180.0° |
| O11 | C8 | C7 | N3 | 58.8° | 0.1° |
| C8 | C7 | C9 | N3 | 179.6° | 180.0° |
| C8 | C7 | N3 | C4' | 177.2° | 176.2° |
| C8 | C7 | C9 | H25 | 180.0° | 95.1° |
| C8 | C7 | C9 | H26 | 60.0° | 24.9° |
| C8 | C7 | C9 | H27 | 60.0° | 144.9° |
| C7 | C8 | O11 | H28 | 179.4° | 180.0° |
| C9 | C7 | N3 | C4' | 3.2° | 3.8° |
| C7 | C9 | H25 | H26 | 120.0° | 120.0° |
| C7 | C9 | H25 | H27 | 120.0° | 120.0° |
| C7 | C9 | H26 | H27 | 120.0° | 120.0° |
| C7 | N3 | C4' | NZ | 99.5° | 112.8° |
| C7 | N3 | C4' | C4 | 138.5° | 127.1° |
| C7 | N3 | C4' | H15 | 19.5° | 7.1° |
| N3 | C7 | C9 | H25 | 0.4° | 84.9° |
| N3 | C7 | C9 | H26 | 120.4° | 155.1° |
| N3 | C7 | C9 | H27 | 119.6° | 35.1° |
| OP1 | P | OP2 | OP3 | 122.7° | 120.0° |
| OP1 | P | OP2 | OP4 | 119.4° | 120.0° |
| OP1 | P | OP3 | OP4 | 118.5° | 120.0° |
| OP1 | P | OP4 | C5' | 55.3° | 55.0° |
| OP1 | P | OP2 | H23 | 0.0° | 179.9° |
| OP1 | P | OP3 | H24 | 0.0° | 60.0° |
| N3 | C4' | NZ | C4 | 123.5° | 120.0° |
| N3 | C4' | NZ | H15 | 119.1° | 120.0° |
| N3 | C4' | C4 | H15 | 119.3° | 120.0° |
| N3 | C4' | NZ | CE | 97.1° | 104.9° |
| N3 | C4' | C4 | C5 | 89.7° | 30.0° |
| N3 | C4' | C4 | C3 | 90.4° | 149.8° |
| N3 | C4' | NZ | HZ1 | 23.1° | 19.0° |
| NZ | C4' | C4 | H15 | 117.4° | 120.0° |
| C4' | NZ | CE | HZ1 | 120.2° | 124.0° |
| C4' | NZ | CE | CD | 155.5° | 180.0° |
| NZ | C4' | C4 | C5 | 147.0° | 150.0° |
| NZ | C4' | C4 | C3 | 32.9° | 29.7° |
| C4' | NZ | CE | HE2 | 35.4° | 59.9° |
| C4' | NZ | CE | HE3 | 84.3° | 60.0° |
| C4 | C4' | NZ | CE | 139.4° | 135.0° |
| C4' | C4 | C5 | C5' | 0.1° | 0.0° |
| C4' | C4 | C5 | C3 | 179.9° | 179.8° |
| C4' | C4 | C5 | C6 | 179.6° | 180.0° |
| C4' | C4 | C3 | O3 | 0.3° | 0.1° |
| C4' | C4 | C3 | C2 | 179.8° | 179.9° |
| C4 | C4' | NZ | HZ1 | 100.4° | 101.1° |
| OP2 | P | OP3 | OP4 | 118.4° | 120.0° |
| OP2 | P | OP4 | C5' | 175.7° | 65.1° |
| OP2 | P | OP3 | H24 | 123.2° | 60.0° |
| OP3 | P | OP4 | C5' | 63.7° | 175.0° |
| OP3 | P | OP2 | H23 | 122.7° | 60.0° |
| P | OP4 | C5' | C5 | 170.2° | 180.0° |
| P | OP4 | C5' | H21 | 50.0° | 60.0° |
| P | OP4 | C5' | H22 | 69.6° | 60.0° |
| OP4 | P | OP2 | H23 | 119.4° | 59.9° |
| OP4 | P | OP3 | H24 | 118.5° | 180.0° |
| NZ | CE | CD | HE2 | 120.2° | 120.1° |
| NZ | CE | CD | HE3 | 120.1° | 119.9° |
| NZ | CE | CD | CG | 175.1° | 180.0° |
| NZ | CE | CD | HD2 | 54.7° | 59.9° |
| NZ | CE | CD | HD3 | 64.5° | 60.1° |
| NZ | CE | HE2 | HE3 | 119.5° | 119.9° |
| CE | NZ | C4' | H15 | 22.0° | 15.0° |
| CE | CD | CG | HD2 | 120.4° | 120.1° |
| CE | CD | CG | HD3 | 120.4° | 120.0° |
| CE | CD | CG | CB | 170.6° | 180.0° |
| CE | CD | CG | HG2 | 50.3° | 60.0° |
| CE | CD | CG | HG3 | 69.1° | 60.0° |
| CE | CD | HD2 | HD3 | 118.9° | 120.0° |
| CD | CE | HE2 | HE3 | 119.5° | 120.0° |
| CD | CE | NZ | HZ1 | 84.2° | 56.1° |
| OP4 | C5' | C5 | H21 | 120.2° | 120.0° |
| OP4 | C5' | C5 | H22 | 120.2° | 120.0° |
| OP4 | C5' | C5 | C4 | 53.2° | 180.0° |
| OP4 | C5' | C5 | C6 | 126.4° | 0.1° |
| OP4 | C5' | H21 | H22 | 119.4° | 119.9° |
| C5' | C5 | C4 | C6 | 179.6° | 179.9° |
| C5' | C5 | C4 | C3 | 180.0° | 179.7° |
| C5' | C5 | C6 | N1 | 179.9° | 180.0° |
| C5' | C5 | C6 | H20 | 0.1° | 0.0° |
| C5 | C5' | H21 | H22 | 119.4° | 120.1° |
| C5 | C4 | C3 | O3 | 179.7° | 179.7° |
| C5 | C4 | C3 | C2 | 0.1° | 0.2° |
| C4 | C5 | C6 | N1 | 0.4° | 0.0° |
| C5 | C4 | C4' | H15 | 29.6° | 90.0° |
| C4 | C5 | C6 | H20 | 179.6° | 180.0° |
| C4 | C5 | C5' | H21 | 67.0° | 60.0° |
| C4 | C5 | C5' | H22 | 173.4° | 60.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.2° |
| C4 | C3 | O3 | C2 | 179.8° | 179.9° |
| C4 | C3 | C2 | N1 | 0.1° | 0.1° |
| C4 | C3 | C2 | C2' | 179.8° | 180.0° |
| C3 | C4 | C4' | H15 | 150.3° | 90.3° |
| C4 | C3 | O3 | H16 | 180.0° | 90.0° |
| CD | CG | CB | HG2 | 120.3° | 120.0° |
| CD | CG | CB | HG3 | 120.3° | 120.0° |
| CD | CG | CB | CA | 169.2° | 180.0° |
| CD | CG | CB | HB2 | 48.9° | 60.0° |
| CD | CG | CB | HB3 | 70.4° | 60.0° |
| CD | CG | HG2 | HG3 | 119.1° | 120.0° |
| CG | CD | HD2 | HD3 | 118.9° | 120.0° |
| CG | CD | CE | HE2 | 64.7° | 59.9° |
| CG | CD | CE | HE3 | 55.0° | 60.0° |
| CG | CB | CA | HB2 | 120.4° | 120.0° |
| CG | CB | CA | HB3 | 120.4° | 120.0° |
| CG | CB | CA | N | 88.6° | 65.0° |
| CG | CB | CA | C | 146.3° | 175.0° |
| CG | CB | CA | HA | 29.4° | 55.0° |
| CG | CB | HB2 | HB3 | 118.9° | 120.0° |
| CB | CG | HG2 | HG3 | 119.1° | 120.0° |
| CB | CG | CD | HD2 | 69.0° | 60.0° |
| CB | CG | CD | HD3 | 50.2° | 60.0° |
| C5 | C6 | N1 | H20 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.3° |
| C6 | C5 | C5' | H21 | 113.4° | 119.9° |
| C6 | C5 | C5' | H22 | 6.3° | 120.0° |
| O3 | C3 | C2 | N1 | 179.9° | 179.9° |
| O3 | C3 | C2 | C2' | 0.3° | 0.1° |
| C3 | C2 | N1 | C6 | 0.0° | 0.3° |
| C3 | C2 | N1 | C2' | 179.7° | 179.9° |
| C2 | C3 | O3 | H16 | 0.2° | 89.9° |
| C3 | C2 | C2' | H17 | 179.8° | 90.1° |
| C3 | C2 | C2' | H18 | 59.8° | 150.0° |
| C3 | C2 | C2' | H19 | 60.3° | 30.0° |
| O | C | CA | CB | 123.7° | 100.0° |
| O | C | CA | N | 111.9° | 20.0° |
| O | C | CA | OXT | 148.7° | 180.0° |
| O | C | CA | HA | 7.0° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CB | CA | N | C | 123.5° | 120.0° |
| CB | CA | N | HA | 117.7° | 120.0° |
| CB | CA | C | HA | 116.7° | 120.0° |
| CB | CA | C | OXT | 87.6° | 80.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | HB2 | HB3 | 118.9° | 120.0° |
| CA | CB | CG | HG2 | 70.5° | 60.0° |
| CA | CB | CG | HG3 | 49.0° | 60.0° |
| N | CA | C | HA | 118.9° | 120.0° |
| N | CA | C | OXT | 36.8° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB2 | 151.0° | 55.0° |
| N | CA | CB | HB3 | 31.8° | 175.0° |
| C | CA | N | H | 56.4° | 63.9° |
| C | CA | N | H2 | 63.6° | 59.9° |
| C | CA | CB | HB2 | 25.9° | 65.0° |
| C | CA | CB | HB3 | 93.4° | 55.0° |
| CA | C | OXT | HXT | 149.3° | 180.0° |
| C6 | N1 | C2 | C2' | 179.8° | 179.8° |
| N1 | C2 | C2' | H17 | 0.0° | 90.0° |
| N1 | C2 | C2' | H18 | 120.0° | 29.9° |
| N1 | C2 | C2' | H19 | 120.0° | 150.0° |
| C2 | N1 | C6 | H20 | 179.7° | 179.7° |
| C2 | C2' | H17 | H18 | 120.0° | 120.0° |
| C2 | C2' | H17 | H19 | 120.0° | 120.0° |
| C2 | C2' | H18 | H19 | 120.0° | 120.0° |
| OXT | C | CA | HA | 155.7° | 40.0° |
| H | N | CA | HA | 62.3° | 56.1° |
| H2 | N | CA | HA | 177.7° | 179.9° |
| HA | CA | CB | HB2 | 91.0° | 175.0° |
| HA | CA | CB | HB3 | 149.8° | 65.0° |
| HB2 | CB | CG | HG2 | 169.2° | 180.0° |
| HB2 | CB | CG | HG3 | 71.4° | 60.0° |
| HB3 | CB | CG | HG2 | 49.9° | 60.0° |
| HB3 | CB | CG | HG3 | 169.3° | 180.0° |
| HG2 | CG | CD | HD2 | 170.7° | 180.0° |
| HG2 | CG | CD | HD3 | 70.1° | 60.0° |
| HG3 | CG | CD | HD2 | 51.3° | 60.0° |
| HG3 | CG | CD | HD3 | 170.5° | NaN° |
| HD2 | CD | CE | HE2 | 174.9° | NaN° |
| HD2 | CD | CE | HE3 | 65.4° | 60.0° |
| HD3 | CD | CE | HE2 | 55.7° | 60.0° |
| HD3 | CD | CE | HE3 | 175.3° | 180.0° |
| HE2 | CE | NZ | HZ1 | 155.6° | 64.0° |
| HE3 | CE | NZ | HZ1 | 35.9° | 176.0° |
| HZ1 | NZ | C4' | H15 | 142.2° | 138.9° |
| H17 | C2' | H18 | H19 | 120.0° | 120.1° |
| H25 | C9 | H26 | H27 | 120.0° | 120.0° |
