LLP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | C2' | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.30Å | |
| C3 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | C4' | sing | 1.48Å | 1.47Å | |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C4' | NZ | doub | 1.29Å | 1.30Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C5' | sing | 1.51Å | 1.51Å | |
| C5' | OP4 | sing | 1.43Å | 1.44Å | |
| OP4 | P | sing | 1.61Å | 1.61Å | |
| P | OP1 | doub | 1.48Å | 1.50Å | |
| P | OP2 | sing | 1.61Å | 1.50Å | |
| P | OP3 | sing | 1.61Å | 1.51Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CG | CD | sing | 1.53Å | 1.51Å | |
| CD | CE | sing | 1.53Å | 1.52Å | |
| CE | NZ | sing | 1.47Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.27Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C2' | H2'3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4' | H4'1 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| 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 | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 126.5° | 122.2° |
| N1 | C2 | C2' | 120.7° | 119.6° |
| N1 | C2 | C3 | 114.4° | 120.8° |
| N1 | C6 | C5 | 120.5° | 121.1° |
| N1 | C6 | H6 | 119.8° | 119.5° |
| C2' | C2 | C3 | 124.9° | 119.6° |
| C2 | C2' | H2'1 | 109.5° | 109.5° |
| C2 | C2' | H2'2 | 109.5° | 109.5° |
| C2 | C2' | H2'3 | 109.5° | 109.4° |
| C2 | C3 | O3 | 121.4° | 120.6° |
| C2 | C3 | C4 | 122.2° | 118.8° |
| O3 | C3 | C4 | 116.4° | 120.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C4' | 120.2° | 120.9° |
| C3 | C4 | C5 | 119.7° | 118.1° |
| C4' | C4 | C5 | 120.0° | 121.0° |
| C4 | C4' | NZ | 111.8° | 120.0° |
| C4 | C4' | H4'1 | 124.1° | 119.9° |
| C4 | C5 | C6 | 116.7° | 119.1° |
| C4 | C5 | C5' | 121.9° | 120.4° |
| C4' | NZ | CE | 127.8° | 120.0° |
| NZ | C4' | H4'1 | 124.1° | 120.0° |
| C6 | C5 | C5' | 121.4° | 120.5° |
| C5 | C6 | H6 | 119.8° | 119.4° |
| C5 | C5' | OP4 | 112.0° | 109.4° |
| C5 | C5' | H5'1 | 108.8° | 109.5° |
| C5 | C5' | H5'2 | 108.8° | 109.5° |
| C5' | OP4 | P | 116.1° | 123.0° |
| OP4 | C5' | H5'1 | 108.8° | 109.5° |
| OP4 | C5' | H5'2 | 108.8° | 109.5° |
| OP4 | P | OP1 | 110.1° | 109.5° |
| OP4 | P | OP2 | 108.3° | 109.4° |
| OP4 | P | OP3 | 108.9° | 109.5° |
| OP1 | P | OP2 | 111.5° | 109.5° |
| OP1 | P | OP3 | 108.0° | 109.5° |
| OP2 | P | OP3 | 110.1° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| N | CA | CB | 108.9° | 109.5° |
| N | CA | C | 106.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 106.1° | 109.5° |
| CB | CA | C | 122.7° | 109.5° |
| CA | CB | CG | 112.5° | 109.5° |
| CB | CA | HA | 105.6° | 109.5° |
| CA | CB | HB2 | 108.7° | 109.5° |
| CA | CB | HB3 | 108.7° | 109.5° |
| CA | C | O | 115.4° | 120.0° |
| CA | C | OXT | 125.0° | 120.0° |
| C | CA | HA | 105.7° | 109.5° |
| CB | CG | CD | 115.3° | 109.5° |
| CG | CB | HB2 | 108.7° | 109.5° |
| CG | CB | HB3 | 108.7° | 109.5° |
| CB | CG | HG2 | 108.0° | 109.5° |
| CB | CG | HG3 | 108.0° | 109.5° |
| CG | CD | CE | 113.1° | 109.5° |
| CD | CG | HG2 | 108.0° | 109.5° |
| CD | CG | HG3 | 108.0° | 109.4° |
| CG | CD | HD2 | 108.6° | 109.5° |
| CG | CD | HD3 | 108.6° | 109.5° |
| CD | CE | NZ | 112.6° | 109.5° |
| CE | CD | HD2 | 108.6° | 109.5° |
| CE | CD | HD3 | 108.6° | 109.4° |
| CD | CE | HE2 | 108.7° | 109.5° |
| CD | CE | HE3 | 108.7° | 109.5° |
| NZ | CE | HE2 | 108.7° | 109.4° |
| NZ | CE | HE3 | 108.7° | 109.5° |
| O | C | OXT | 119.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H2'1 | C2' | H2'2 | 109.5° | 109.5° |
| H2'1 | C2' | H2'3 | 109.4° | 109.5° |
| H2'2 | C2' | H2'3 | 109.5° | 109.4° |
| H5'1 | C5' | H5'2 | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 110.9° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| HE2 | CE | HE3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C2' | C3 | 179.0° | 180.0° |
| N1 | C2 | C3 | O3 | 179.4° | 180.0° |
| N1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| N1 | C2 | C2' | H2'1 | 0.0° | 90.0° |
| N1 | C2 | C2' | H2'2 | 120.0° | 150.0° |
| N1 | C2 | C2' | H2'3 | 120.0° | 30.0° |
| C2 | N1 | C6 | H6 | 179.4° | 180.0° |
| C6 | N1 | C2 | C2' | 179.9° | 180.0° |
| C6 | N1 | C2 | C3 | 0.8° | 0.0° |
| N1 | C6 | C5 | C4 | 0.0° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5' | 179.9° | 180.0° |
| C2' | C2 | C3 | O3 | 0.3° | 0.0° |
| C2' | C2 | C3 | C4 | 179.7° | 180.0° |
| C2 | C2' | H2'1 | H2'2 | 120.0° | 120.0° |
| C2 | C2' | H2'1 | H2'3 | 120.0° | 120.0° |
| C2 | C2' | H2'2 | H2'3 | 120.0° | 119.9° |
| C2 | C3 | O3 | C4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C4' | 179.8° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C2 | C2' | H2'1 | 179.0° | 90.0° |
| C3 | C2 | C2' | H2'2 | 59.0° | 30.1° |
| C3 | C2 | C2' | H2'3 | 61.0° | 150.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.0° |
| O3 | C3 | C4 | C4' | 0.2° | 0.1° |
| O3 | C3 | C4 | C5 | 179.8° | 179.9° |
| C3 | C4 | C4' | C5 | 179.6° | 179.9° |
| C3 | C4 | C4' | NZ | 23.9° | 0.1° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | C5' | 179.9° | 180.0° |
| C4 | C3 | O3 | HO3 | 0.0° | 90.0° |
| C3 | C4 | C4' | H4'1 | 156.1° | 180.0° |
| C4 | C4' | NZ | H4'1 | 180.0° | 179.9° |
| C4' | C4 | C5 | C6 | 179.5° | 180.0° |
| C4' | C4 | C5 | C5' | 0.5° | 0.1° |
| C4 | C4' | NZ | CE | 170.0° | 179.9° |
| C5 | C4 | C4' | NZ | 155.7° | 180.0° |
| C4 | C5 | C6 | C5' | 180.0° | 179.9° |
| C4 | C5 | C5' | OP4 | 56.3° | 180.0° |
| C5 | C4 | C4' | H4'1 | 24.3° | 0.2° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C4 | C5 | C5' | H5'1 | 176.7° | 60.0° |
| C4 | C5 | C5' | H5'2 | 64.1° | 60.0° |
| C4' | NZ | CE | CD | 94.0° | 115.0° |
| C4' | NZ | CE | HE2 | 145.6° | 5.0° |
| C4' | NZ | CE | HE3 | 26.5° | 124.9° |
| C6 | C5 | C5' | OP4 | 123.7° | 0.0° |
| C6 | C5 | C5' | H5'1 | 3.3° | 119.9° |
| C6 | C5 | C5' | H5'2 | 115.9° | 120.1° |
| C5 | C5' | OP4 | H5'1 | 120.4° | 120.0° |
| C5 | C5' | OP4 | H5'2 | 120.4° | 120.0° |
| C5 | C5' | OP4 | P | 148.8° | 180.0° |
| C5' | C5 | C6 | H6 | 0.1° | 0.1° |
| C5 | C5' | H5'1 | H5'2 | 118.8° | 120.0° |
| C5' | OP4 | P | OP1 | 169.0° | 55.0° |
| C5' | OP4 | P | OP2 | 68.9° | 65.0° |
| C5' | OP4 | P | OP3 | 50.8° | 175.0° |
| OP4 | C5' | H5'1 | H5'2 | 118.8° | 120.0° |
| OP4 | P | OP1 | OP2 | 120.2° | 120.0° |
| OP4 | P | OP1 | OP3 | 118.7° | 120.0° |
| OP4 | P | OP2 | OP3 | 118.9° | 120.0° |
| P | OP4 | C5' | H5'1 | 90.8° | 60.0° |
| P | OP4 | C5' | H5'2 | 28.4° | 60.0° |
| OP4 | P | OP2 | HOP2 | 121.2° | 60.0° |
| OP4 | P | OP3 | HOP3 | 119.5° | 180.0° |
| OP1 | P | OP2 | OP3 | 119.9° | 120.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 59.9° |
| OP2 | P | OP3 | HOP3 | 122.0° | 60.1° |
| OP3 | P | OP2 | HOP2 | 119.9° | 60.0° |
| N | CA | CB | C | 125.6° | 120.0° |
| N | CA | CB | HA | 113.6° | 120.0° |
| N | CA | C | HA | 112.6° | 120.0° |
| N | CA | CB | CG | 83.6° | 65.0° |
| N | CA | C | O | 74.1° | 20.1° |
| N | CA | C | OXT | 97.4° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 36.8° | 55.0° |
| N | CA | CB | HB3 | 155.9° | 175.0° |
| CB | CA | C | HA | 120.8° | 120.0° |
| CA | CB | CG | HB2 | 120.4° | 120.0° |
| CA | CB | CG | HB3 | 120.4° | 120.0° |
| CA | CB | CG | CD | 102.5° | 180.0° |
| CB | CA | C | O | 159.3° | 99.9° |
| CB | CA | C | OXT | 29.1° | 80.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | HB2 | HB3 | 118.6° | 120.0° |
| CA | CB | CG | HG2 | 136.6° | 60.0° |
| CA | CB | CG | HG3 | 18.3° | 60.0° |
| C | CA | CB | CG | 150.8° | 175.0° |
| CA | C | O | OXT | 172.1° | 179.9° |
| C | CA | N | H | 45.7° | 63.9° |
| C | CA | N | H2 | 74.3° | 60.0° |
| C | CA | CB | HB2 | 88.8° | 65.0° |
| C | CA | CB | HB3 | 30.3° | 55.0° |
| CA | C | OXT | HXT | 171.3° | 180.0° |
| CB | CG | CD | HG2 | 120.8° | 120.1° |
| CB | CG | CD | HG3 | 120.8° | 120.0° |
| CB | CG | CD | CE | 146.9° | 180.0° |
| CG | CB | CA | HA | 30.0° | 55.0° |
| CG | CB | HB2 | HB3 | 118.6° | 120.0° |
| CB | CG | HG2 | HG3 | 117.4° | 120.0° |
| CB | CG | CD | HD2 | 92.6° | 60.0° |
| CB | CG | CD | HD3 | 26.4° | 60.1° |
| CG | CD | CE | HD2 | 120.5° | 120.0° |
| CG | CD | CE | HD3 | 120.5° | 120.0° |
| CG | CD | CE | NZ | 111.3° | 179.9° |
| CD | CG | CB | HB2 | 17.9° | 60.0° |
| CD | CG | CB | HB3 | 137.0° | 60.1° |
| CD | CG | HG2 | HG3 | 117.4° | 119.9° |
| CG | CD | HD2 | HD3 | 118.3° | 120.0° |
| CG | CD | CE | HE2 | 9.1° | 60.0° |
| CG | CD | CE | HE3 | 128.2° | 60.0° |
| CD | CE | NZ | HE2 | 120.5° | 120.0° |
| CD | CE | NZ | HE3 | 120.5° | 120.0° |
| CE | CD | CG | HG2 | 26.1° | 59.9° |
| CE | CD | CG | HG3 | 92.2° | 60.0° |
| CE | CD | HD2 | HD3 | 118.4° | 120.0° |
| CD | CE | HE2 | HE3 | 118.6° | 120.0° |
| CE | NZ | C4' | H4'1 | 10.0° | 0.1° |
| NZ | CE | CD | HD2 | 128.1° | 60.0° |
| NZ | CE | CD | HD3 | 9.2° | 60.0° |
| NZ | CE | HE2 | HE3 | 118.5° | 120.0° |
| O | C | CA | HA | 38.5° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | HA | 149.9° | 40.1° |
| H2'1 | C2' | H2'2 | H2'3 | 119.9° | 120.0° |
| H | N | CA | HA | 66.7° | 56.1° |
| H2 | N | CA | HA | 173.3° | 180.0° |
| HA | CA | CB | HB2 | 150.4° | 174.9° |
| HA | CA | CB | HB3 | 90.5° | 65.0° |
| HB2 | CB | CG | HG2 | 102.9° | 180.0° |
| HB2 | CB | CG | HG3 | 138.8° | 60.0° |
| HB3 | CB | CG | HG2 | 16.2° | 60.0° |
| HB3 | CB | CG | HG3 | 102.1° | 180.0° |
| HG2 | CG | CD | HD2 | 146.6° | 179.9° |
| HG2 | CG | CD | HD3 | 94.5° | 60.0° |
| HG3 | CG | CD | HD2 | 28.3° | 60.0° |
| HG3 | CG | CD | HD3 | 147.2° | 180.0° |
| HD2 | CD | CE | HE2 | 111.4° | 180.0° |
| HD2 | CD | CE | HE3 | 7.7° | 60.0° |
| HD3 | CD | CE | HE2 | 129.6° | 60.0° |
| HD3 | CD | CE | HE3 | 111.2° | 180.0° |
