LBY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| C3 | CT | sing | 1.53Å | 1.53Å | |
| O2 | CT | sing | 1.45Å | 1.43Å | |
| O2 | CZ | sing | 1.35Å | 1.36Å | |
| CT | C1 | sing | 1.53Å | 1.53Å | |
| CT | C2 | sing | 1.53Å | 1.53Å | |
| CD | CE | sing | 1.53Å | 1.53Å | |
| CE | NZ | sing | 1.46Å | 1.47Å | |
| CZ | NZ | sing | 1.35Å | 1.33Å | |
| CZ | O1 | doub | 1.22Å | 1.23Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| NZ | HZ1 | sing | 0.97Å | 1.00Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 125.9° | 120.0° |
| O | C | CA | 117.2° | 120.0° |
| OXT | C | CA | 116.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CA | N | 109.5° | 109.5° |
| C | CA | CB | 108.5° | 109.5° |
| C | CA | HA | 109.6° | 109.4° |
| N | CA | CB | 109.4° | 109.5° |
| N | CA | HA | 110.4° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| CA | CB | CG | 109.7° | 109.5° |
| CA | CB | HB2 | 109.4° | 109.4° |
| CA | CB | HB3 | 109.4° | 109.5° |
| CB | CA | HA | 109.6° | 109.5° |
| CB | CG | CD | 111.0° | 109.5° |
| CB | CG | HG2 | 109.1° | 109.5° |
| CB | CG | HG3 | 109.1° | 109.5° |
| CG | CB | HB2 | 109.4° | 109.5° |
| CG | CB | HB3 | 109.4° | 109.5° |
| CG | CD | CE | 111.0° | 109.5° |
| CG | CD | HD2 | 109.1° | 109.4° |
| CG | CD | HD3 | 109.1° | 109.5° |
| CD | CG | HG2 | 109.1° | 109.4° |
| CD | CG | HG3 | 109.1° | 109.5° |
| C3 | CT | O2 | 108.4° | 109.5° |
| C3 | CT | C1 | 109.8° | 109.4° |
| C3 | CT | C2 | 109.2° | 109.5° |
| CT | C3 | H31 | 109.5° | 109.5° |
| CT | C3 | H32 | 109.5° | 109.4° |
| CT | C3 | H33 | 109.5° | 109.4° |
| CT | O2 | CZ | 111.6° | 117.0° |
| O2 | CT | C1 | 108.8° | 109.5° |
| O2 | CT | C2 | 110.5° | 109.5° |
| O2 | CZ | NZ | 119.0° | 120.0° |
| O2 | CZ | O1 | 119.4° | 120.0° |
| C1 | CT | C2 | 110.1° | 109.4° |
| CT | C1 | H11 | 109.5° | 109.5° |
| CT | C1 | H12 | 109.5° | 109.5° |
| CT | C1 | H13 | 109.5° | 109.5° |
| CT | C2 | H21 | 109.5° | 109.5° |
| CT | C2 | H22 | 109.5° | 109.4° |
| CT | C2 | H23 | 109.5° | 109.5° |
| CD | CE | NZ | 106.3° | 109.5° |
| CD | CE | HE2 | 110.3° | 109.5° |
| CD | CE | HE3 | 110.3° | 109.5° |
| CE | CD | HD2 | 109.1° | 109.5° |
| CE | CD | HD3 | 109.1° | 109.5° |
| CE | NZ | CZ | 122.3° | 120.0° |
| CE | NZ | HZ1 | 118.8° | 120.0° |
| NZ | CE | HE2 | 110.2° | 109.5° |
| NZ | CE | HE3 | 110.3° | 109.5° |
| NZ | CZ | O1 | 121.4° | 120.0° |
| CZ | NZ | HZ1 | 118.9° | 120.0° |
| H11 | C1 | H12 | 109.4° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.4° |
| H21 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H31 | C3 | H33 | 109.4° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| HE2 | CE | HE3 | 109.4° | 109.4° |
| HD2 | CD | HD3 | 109.5° | 109.4° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.0° | 179.9° |
| O | C | CA | N | 6.4° | 19.9° |
| O | C | CA | CB | 125.7° | 100.1° |
| O | C | CA | HA | 114.7° | 139.9° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | N | 172.6° | 160.0° |
| OXT | C | CA | CB | 53.4° | 80.0° |
| OXT | C | CA | HA | 66.2° | 40.0° |
| C | CA | N | CB | 118.7° | 120.0° |
| C | CA | N | HA | 120.7° | 120.0° |
| C | CA | CB | HA | 119.6° | 120.0° |
| C | CA | CB | CG | 55.6° | 175.0° |
| C | CA | CB | HB2 | 64.5° | 55.0° |
| C | CA | CB | HB3 | 175.6° | 64.9° |
| CA | C | OXT | HXT | 179.0° | 180.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| N | CA | CB | HA | 121.1° | 120.0° |
| N | CA | CB | CG | 63.8° | 65.0° |
| N | CA | CB | HB2 | 176.2° | 175.0° |
| N | CA | CB | HB3 | 56.3° | 55.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.1° | 120.0° |
| CA | CB | CG | CD | 169.6° | 180.0° |
| CA | CB | CG | HG2 | 70.2° | 60.0° |
| CA | CB | CG | HG3 | 49.3° | 60.0° |
| CA | CB | HB2 | HB3 | 119.9° | 120.0° |
| CB | CA | N | H | 61.3° | 60.0° |
| CB | CA | N | H2 | 178.7° | 64.0° |
| CB | CG | CD | HG2 | 120.2° | 120.0° |
| CB | CG | CD | HG3 | 120.2° | 120.0° |
| CB | CG | CD | CE | 168.3° | 180.0° |
| CB | CG | CD | HD2 | 48.1° | 60.0° |
| CB | CG | CD | HD3 | 71.4° | 59.9° |
| CB | CG | HG2 | HG3 | 119.3° | 120.0° |
| CG | CB | HB2 | HB3 | 119.9° | 120.0° |
| CG | CB | CA | HA | 175.1° | 55.0° |
| CG | CD | CE | HD2 | 120.2° | 120.0° |
| CG | CD | CE | HD3 | 120.2° | 120.0° |
| CG | CD | CE | NZ | 161.3° | 180.0° |
| CG | CD | CE | HE2 | 79.2° | 59.9° |
| CG | CD | CE | HE3 | 41.8° | 60.0° |
| CG | CD | HD2 | HD3 | 119.3° | 120.0° |
| CD | CG | HG2 | HG3 | 119.3° | 120.0° |
| CD | CG | CB | HB2 | 49.5° | 60.0° |
| CD | CG | CB | HB3 | 70.4° | 60.0° |
| C3 | CT | O2 | C1 | 119.3° | 120.0° |
| C3 | CT | O2 | C2 | 119.7° | 120.0° |
| C3 | CT | O2 | CZ | 174.3° | 180.0° |
| C3 | CT | C1 | C2 | 120.3° | 120.0° |
| C3 | CT | C1 | H11 | 180.0° | 180.0° |
| C3 | CT | C1 | H12 | 60.0° | 60.1° |
| C3 | CT | C1 | H13 | 60.0° | 60.0° |
| C3 | CT | C2 | H21 | 180.0° | 60.0° |
| C3 | CT | C2 | H22 | 60.0° | 60.0° |
| C3 | CT | C2 | H23 | 60.0° | 180.0° |
| CT | C3 | H31 | H32 | 120.0° | 120.0° |
| CT | C3 | H31 | H33 | 120.0° | 120.0° |
| CT | C3 | H32 | H33 | 120.0° | 120.0° |
| O2 | CT | C1 | C2 | 121.2° | 120.0° |
| CT | O2 | CZ | NZ | 178.9° | 180.0° |
| CT | O2 | CZ | O1 | 2.5° | 0.0° |
| O2 | CT | C1 | H11 | 61.6° | 60.0° |
| O2 | CT | C1 | H12 | 178.4° | 59.9° |
| O2 | CT | C1 | H13 | 58.4° | 180.0° |
| O2 | CT | C2 | H21 | 60.9° | 180.0° |
| O2 | CT | C2 | H22 | 59.1° | 60.1° |
| O2 | CT | C2 | H23 | 179.1° | 60.0° |
| O2 | CT | C3 | H31 | 180.0° | 60.0° |
| O2 | CT | C3 | H32 | 60.0° | 60.0° |
| O2 | CT | C3 | H33 | 60.0° | 180.0° |
| CZ | O2 | CT | C1 | 66.3° | 60.0° |
| CZ | O2 | CT | C2 | 54.7° | 60.0° |
| O2 | CZ | NZ | CE | 1.5° | 180.0° |
| O2 | CZ | NZ | O1 | 176.2° | 180.0° |
| O2 | CZ | NZ | HZ1 | 178.5° | 0.0° |
| CT | C1 | H11 | H12 | 120.0° | 120.0° |
| CT | C1 | H11 | H13 | 120.0° | 120.0° |
| CT | C1 | H12 | H13 | 120.0° | 120.1° |
| C1 | CT | C2 | H21 | 59.3° | 60.0° |
| C1 | CT | C2 | H22 | 179.3° | 179.9° |
| C1 | CT | C2 | H23 | 60.7° | 60.0° |
| C1 | CT | C3 | H31 | 61.3° | 60.0° |
| C1 | CT | C3 | H32 | 178.7° | 180.0° |
| C1 | CT | C3 | H33 | 58.7° | 60.0° |
| C2 | CT | C1 | H11 | 59.7° | 60.0° |
| C2 | CT | C1 | H12 | 60.3° | 179.9° |
| C2 | CT | C1 | H13 | 179.7° | 60.0° |
| CT | C2 | H21 | H22 | 120.0° | 119.9° |
| CT | C2 | H21 | H23 | 120.0° | 120.0° |
| CT | C2 | H22 | H23 | 120.0° | 120.0° |
| C2 | CT | C3 | H31 | 59.6° | 180.0° |
| C2 | CT | C3 | H32 | 60.5° | 60.0° |
| C2 | CT | C3 | H33 | 179.6° | 60.0° |
| CD | CE | NZ | HE2 | 119.5° | 120.0° |
| CD | CE | NZ | HE3 | 119.5° | 120.0° |
| CD | CE | NZ | CZ | 115.4° | 180.0° |
| CD | CE | NZ | HZ1 | 64.5° | 0.0° |
| CD | CE | HE2 | HE3 | 121.5° | 120.0° |
| CE | CD | HD2 | HD3 | 119.3° | 120.0° |
| CE | CD | CG | HG2 | 71.4° | 60.0° |
| CE | CD | CG | HG3 | 48.1° | 60.0° |
| CE | NZ | CZ | HZ1 | 180.0° | 180.0° |
| CE | NZ | CZ | O1 | 174.7° | 0.0° |
| NZ | CE | HE2 | HE3 | 121.5° | 120.0° |
| NZ | CE | CD | HD2 | 41.1° | 60.0° |
| NZ | CE | CD | HD3 | 78.5° | 60.0° |
| CZ | NZ | CE | HE2 | 125.0° | 60.0° |
| CZ | NZ | CE | HE3 | 4.1° | 60.0° |
| O1 | CZ | NZ | HZ1 | 5.2° | 180.0° |
| H11 | C1 | H12 | H13 | 120.0° | 119.9° |
| H21 | C2 | H22 | H23 | 120.0° | 120.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.0° |
| HZ1 | NZ | CE | HE2 | 55.0° | 120.0° |
| HZ1 | NZ | CE | HE3 | 175.9° | 120.0° |
| HE2 | CE | CD | HD2 | 160.6° | 179.9° |
| HE2 | CE | CD | HD3 | 41.0° | 60.1° |
| HE3 | CE | CD | HD2 | 78.5° | 60.0° |
| HE3 | CE | CD | HD3 | 162.0° | 180.0° |
| HD2 | CD | CG | HG2 | 168.3° | 180.0° |
| HD2 | CD | CG | HG3 | 72.1° | 60.0° |
| HD3 | CD | CG | HG2 | 48.8° | 60.1° |
| HD3 | CD | CG | HG3 | 168.4° | 180.0° |
| HG2 | CG | CB | HB2 | 169.8° | 180.0° |
| HG2 | CG | CB | HB3 | 49.9° | 60.0° |
| HG3 | CG | CB | HB2 | 70.7° | 60.0° |
| HG3 | CG | CB | HB3 | 169.4° | 180.0° |
| HB2 | CB | CA | HA | 55.1° | 65.0° |
| HB3 | CB | CA | HA | 64.8° | 175.1° |
| HA | CA | N | H | 59.3° | 180.0° |
| HA | CA | N | H2 | 60.7° | 56.1° |
