A1BIH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C05 | C06 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.51Å | 1.58Å | |
| C08 | O09 | doub | 1.21Å | 1.23Å | |
| C08 | N | sing | 1.35Å | 1.43Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| N | CA | sing | 1.47Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.62Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.55Å | |
| CD | CE | sing | 1.53Å | 1.57Å | |
| CE | NZ | sing | 1.47Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| NZ | HZ1 | sing | 1.01Å | 1.00Å | |
| NZ | HZ2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C06 | H1 | sing | 1.09Å | 1.10Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 113.2° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 108.5° | 109.5° |
| C01 | C02 | H9 | 108.5° | 109.4° |
| C02 | C03 | C04 | 112.7° | 109.5° |
| C03 | C02 | H8 | 108.5° | 109.5° |
| C03 | C02 | H9 | 108.5° | 109.5° |
| C02 | C03 | H10 | 108.7° | 109.5° |
| C02 | C03 | H11 | 108.7° | 109.5° |
| C03 | C04 | C05 | 112.7° | 109.5° |
| C04 | C03 | H10 | 108.7° | 109.4° |
| C04 | C03 | H11 | 108.7° | 109.4° |
| C03 | C04 | H12 | 108.7° | 109.5° |
| C03 | C04 | H13 | 108.6° | 109.5° |
| C04 | C05 | C06 | 116.6° | 109.5° |
| C05 | C04 | H12 | 108.6° | 109.5° |
| C05 | C04 | H13 | 108.7° | 109.5° |
| C04 | C05 | H14 | 107.7° | 109.5° |
| C04 | C05 | H15 | 107.6° | 109.4° |
| C05 | C06 | C07 | 115.2° | 109.4° |
| C06 | C05 | H14 | 107.6° | 109.5° |
| C06 | C05 | H15 | 107.7° | 109.5° |
| C05 | C06 | H16 | 108.0° | 109.5° |
| C05 | C06 | H1 | 108.0° | 109.5° |
| C06 | C07 | C08 | 116.7° | 109.5° |
| C07 | C06 | H16 | 108.0° | 109.5° |
| C06 | C07 | H17 | 107.6° | 109.5° |
| C07 | C06 | H1 | 108.0° | 109.4° |
| C06 | C07 | H2 | 107.6° | 109.5° |
| C07 | C08 | O09 | 118.6° | 120.0° |
| C07 | C08 | N | 118.2° | 120.0° |
| C08 | C07 | H17 | 107.7° | 109.5° |
| C08 | C07 | H2 | 107.6° | 109.5° |
| O09 | C08 | N | 123.0° | 120.0° |
| C08 | N | CA | 124.4° | 120.0° |
| C08 | N | H | 117.8° | 120.0° |
| O | C | OXT | 124.3° | 120.0° |
| O | C | CA | 117.1° | 120.0° |
| N | CA | C | 112.4° | 109.4° |
| N | CA | CB | 109.1° | 109.5° |
| N | CA | HA | 109.4° | 109.5° |
| CA | N | H | 117.8° | 120.0° |
| OXT | C | CA | 118.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CA | CB | 108.3° | 109.4° |
| C | CA | HA | 108.3° | 109.5° |
| CA | CB | CG | 111.8° | 109.4° |
| CA | CB | HB2 | 108.9° | 109.5° |
| CA | CB | HB3 | 108.9° | 109.5° |
| CB | CA | HA | 109.3° | 109.5° |
| CB | CG | CD | 112.5° | 109.5° |
| CG | CB | HB2 | 108.9° | 109.4° |
| CG | CB | HB3 | 108.9° | 109.4° |
| CB | CG | HG2 | 108.7° | 109.5° |
| CB | CG | HG3 | 108.7° | 109.5° |
| CG | CD | CE | 112.6° | 109.5° |
| CG | CD | HD2 | 108.7° | 109.5° |
| CG | CD | HD3 | 108.7° | 109.5° |
| CD | CG | HG2 | 108.7° | 109.5° |
| CD | CG | HG3 | 108.7° | 109.5° |
| CD | CE | NZ | 109.7° | 109.5° |
| CE | CD | HD2 | 108.7° | 109.5° |
| CE | CD | HD3 | 108.7° | 109.5° |
| CD | CE | HE2 | 109.4° | 109.5° |
| CD | CE | HE3 | 109.4° | 109.4° |
| NZ | CE | HE2 | 109.4° | 109.5° |
| NZ | CE | HE3 | 109.4° | 109.5° |
| CE | NZ | HZ1 | 109.5° | 111.0° |
| CE | NZ | HZ2 | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.4° | 109.5° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.4° |
| H10 | C03 | H11 | 109.4° | 109.4° |
| H12 | C04 | H13 | 109.5° | 109.4° |
| H14 | C05 | H15 | 109.5° | 109.5° |
| H16 | C06 | H1 | 109.5° | 109.5° |
| H17 | C07 | H2 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.4° |
| HE2 | CE | HE3 | 109.4° | 109.5° |
| HZ1 | NZ | HZ2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H8 | 120.5° | 120.0° |
| C01 | C02 | C03 | H9 | 120.6° | 120.0° |
| C01 | C02 | C03 | C04 | 99.9° | NaN° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.1° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | H8 | H9 | 118.3° | 119.9° |
| C01 | C02 | C03 | H10 | 139.6° | 60.0° |
| C01 | C02 | C03 | H11 | 20.6° | 60.0° |
| C02 | C03 | C04 | H10 | 120.5° | 120.0° |
| C02 | C03 | C04 | H11 | 120.5° | 120.1° |
| C02 | C03 | C04 | C05 | 158.4° | 180.0° |
| C03 | C02 | C01 | H5 | 180.0° | 60.0° |
| C03 | C02 | C01 | H6 | 60.0° | 60.0° |
| C03 | C02 | C01 | H7 | 60.0° | 180.0° |
| C03 | C02 | H8 | H9 | 118.3° | 120.0° |
| C02 | C03 | H10 | H11 | 118.5° | 120.0° |
| C02 | C03 | C04 | H12 | 37.9° | 60.0° |
| C02 | C03 | C04 | H13 | 81.1° | 60.0° |
| C03 | C04 | C05 | H12 | 120.5° | 120.0° |
| C03 | C04 | C05 | H13 | 120.5° | 120.0° |
| C03 | C04 | C05 | C06 | 131.1° | 180.0° |
| C04 | C03 | C02 | H8 | 20.6° | 60.0° |
| C04 | C03 | C02 | H9 | 139.5° | 60.0° |
| C04 | C03 | H10 | H11 | 118.6° | 119.9° |
| C03 | C04 | H12 | H13 | 118.5° | 120.0° |
| C03 | C04 | C05 | H14 | 10.1° | 60.0° |
| C03 | C04 | C05 | H15 | 107.8° | 60.0° |
| C04 | C05 | C06 | H14 | 121.0° | 120.0° |
| C04 | C05 | C06 | H15 | 121.0° | 120.0° |
| C04 | C05 | C06 | C07 | 104.1° | 180.0° |
| C05 | C04 | C03 | H10 | 81.1° | 60.0° |
| C05 | C04 | C03 | H11 | 37.9° | 59.9° |
| C05 | C04 | H12 | H13 | 118.5° | 120.0° |
| C04 | C05 | H14 | H15 | 116.7° | 120.0° |
| C04 | C05 | C06 | H16 | 16.7° | 60.0° |
| C04 | C05 | C06 | H1 | 135.0° | 60.1° |
| C05 | C06 | C07 | H16 | 120.8° | 120.0° |
| C05 | C06 | C07 | H1 | 120.9° | 119.9° |
| C05 | C06 | C07 | C08 | 176.3° | 180.0° |
| C06 | C05 | C04 | H12 | 108.4° | 59.9° |
| C06 | C05 | C04 | H13 | 10.6° | 60.0° |
| C06 | C05 | H14 | H15 | 116.8° | 120.0° |
| C05 | C06 | H16 | H1 | 117.4° | 120.0° |
| C05 | C06 | C07 | H17 | 55.2° | 60.0° |
| C05 | C06 | C07 | H2 | 62.7° | 60.1° |
| C06 | C07 | C08 | H17 | 121.0° | 120.0° |
| C06 | C07 | C08 | H2 | 121.0° | 120.0° |
| C06 | C07 | C08 | O09 | 25.1° | 0.0° |
| C06 | C07 | C08 | N | 151.0° | 180.0° |
| C07 | C06 | C05 | H14 | 134.8° | 60.0° |
| C07 | C06 | C05 | H15 | 16.9° | 60.1° |
| C07 | C06 | H16 | H1 | 117.4° | 120.0° |
| C06 | C07 | H17 | H2 | 116.7° | 120.0° |
| C07 | C08 | O09 | N | 175.9° | 180.0° |
| C07 | C08 | N | CA | 178.9° | 180.0° |
| C08 | C07 | C06 | H16 | 62.9° | 60.0° |
| C08 | C07 | H17 | H2 | 116.7° | 120.0° |
| C07 | C08 | N | H | 1.1° | 0.0° |
| C08 | C07 | C06 | H1 | 55.4° | 60.1° |
| O09 | C08 | N | CA | 3.0° | 0.0° |
| O09 | C08 | C07 | H17 | 146.1° | 120.0° |
| O09 | C08 | N | H | 177.0° | 180.0° |
| O09 | C08 | C07 | H2 | 95.9° | 120.0° |
| C08 | N | CA | H | 180.0° | 179.9° |
| C08 | N | CA | C | 106.1° | 85.1° |
| C08 | N | CA | CB | 133.8° | 155.0° |
| N | C08 | C07 | H17 | 30.0° | 60.0° |
| C08 | N | CA | HA | 14.3° | 35.0° |
| N | C08 | C07 | H2 | 88.0° | 60.0° |
| O | C | CA | N | 50.3° | 0.1° |
| O | C | OXT | CA | 178.7° | 179.9° |
| O | C | CA | CB | 70.2° | 120.0° |
| O | C | CA | HA | 171.3° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| N | CA | C | OXT | 130.9° | 180.0° |
| N | CA | C | CB | 120.6° | 119.9° |
| N | CA | C | HA | 121.0° | 120.0° |
| N | CA | CB | HA | 119.6° | 120.0° |
| N | CA | CB | CG | 116.6° | 65.1° |
| N | CA | CB | HB2 | 3.7° | 54.9° |
| N | CA | CB | HB3 | 123.1° | 175.0° |
| OXT | C | CA | CB | 108.6° | 60.1° |
| OXT | C | CA | HA | 9.8° | 60.0° |
| C | CA | CB | HA | 117.8° | 120.0° |
| C | CA | CB | CG | 120.8° | 175.0° |
| C | CA | CB | HB2 | 118.9° | 65.0° |
| C | CA | CB | HB3 | 0.5° | 55.1° |
| C | CA | N | H | 73.9° | 95.0° |
| CA | C | OXT | HXT | 178.7° | 180.0° |
| CA | CB | CG | HB2 | 120.4° | 120.0° |
| CA | CB | CG | HB3 | 120.3° | 119.9° |
| CA | CB | CG | CD | 109.0° | 180.0° |
| CA | CB | HB2 | HB3 | 119.0° | 120.0° |
| CA | CB | CG | HG2 | 130.6° | 60.0° |
| CA | CB | CG | HG3 | 11.5° | 60.0° |
| CB | CA | N | H | 46.2° | 24.9° |
| CB | CG | CD | HG2 | 120.4° | 120.0° |
| CB | CG | CD | HG3 | 120.5° | 120.0° |
| CB | CG | CD | CE | 166.9° | 180.0° |
| CG | CB | HB2 | HB3 | 118.9° | 120.0° |
| CB | CG | CD | HD2 | 72.6° | 60.0° |
| CB | CG | CD | HD3 | 46.5° | 60.0° |
| CG | CB | CA | HA | 3.0° | 55.0° |
| CB | CG | HG2 | HG3 | 118.6° | 120.0° |
| CG | CD | CE | HD2 | 120.4° | 120.0° |
| CG | CD | CE | HD3 | 120.5° | 120.0° |
| CG | CD | CE | NZ | 128.4° | 180.0° |
| CD | CG | CB | HB2 | 11.4° | 60.0° |
| CD | CG | CB | HB3 | 130.7° | 60.0° |
| CG | CD | HD2 | HD3 | 118.6° | 120.0° |
| CD | CG | HG2 | HG3 | 118.6° | 120.0° |
| CG | CD | CE | HE2 | 8.4° | 60.0° |
| CG | CD | CE | HE3 | 111.5° | 60.0° |
| CD | CE | NZ | HE2 | 120.0° | 120.0° |
| CD | CE | NZ | HE3 | 120.0° | 119.9° |
| CE | CD | HD2 | HD3 | 118.6° | 120.0° |
| CE | CD | CG | HG2 | 46.5° | 60.0° |
| CE | CD | CG | HG3 | 72.6° | 60.0° |
| CD | CE | HE2 | HE3 | 119.9° | 120.0° |
| CD | CE | NZ | HZ1 | 180.0° | 179.9° |
| CD | CE | NZ | HZ2 | 60.0° | 56.0° |
| NZ | CE | CD | HD2 | 111.1° | 60.0° |
| NZ | CE | CD | HD3 | 8.0° | 60.0° |
| NZ | CE | HE2 | HE3 | 119.9° | 120.0° |
| CE | NZ | HZ1 | HZ2 | 120.0° | 123.9° |
| HB2 | CB | CA | HA | 123.4° | 175.0° |
| HB2 | CB | CG | HG2 | 109.1° | 180.0° |
| HB2 | CB | CG | HG3 | 131.9° | 60.0° |
| HB3 | CB | CA | HA | 117.3° | 65.0° |
| HB3 | CB | CG | HG2 | 10.2° | 60.0° |
| HB3 | CB | CG | HG3 | 108.9° | 180.0° |
| HD2 | CD | CG | HG2 | 167.0° | 180.0° |
| HD2 | CD | CG | HG3 | 47.9° | 60.0° |
| HD2 | CD | CE | HE2 | 128.8° | 180.0° |
| HD2 | CD | CE | HE3 | 8.9° | 60.0° |
| HD3 | CD | CG | HG2 | 73.9° | 60.0° |
| HD3 | CD | CG | HG3 | 167.0° | NaN° |
| HD3 | CD | CE | HE2 | 112.1° | 60.0° |
| HD3 | CD | CE | HE3 | 128.0° | 180.0° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H5 | C01 | C02 | H8 | 59.5° | 60.1° |
| H5 | C01 | C02 | H9 | 59.4° | 180.0° |
| H6 | C01 | C02 | H8 | 60.6° | 180.0° |
| H6 | C01 | C02 | H9 | 179.5° | 60.1° |
| H7 | C01 | C02 | H8 | 179.5° | 60.0° |
| H7 | C01 | C02 | H9 | 60.6° | 59.9° |
| H8 | C02 | C03 | H10 | 99.9° | 180.0° |
| H8 | C02 | C03 | H11 | 141.1° | 60.0° |
| H9 | C02 | C03 | H10 | 19.0° | 60.0° |
| H9 | C02 | C03 | H11 | 100.0° | 180.0° |
| H10 | C03 | C04 | H12 | 158.4° | 180.0° |
| H10 | C03 | C04 | H13 | 39.4° | 60.0° |
| H11 | C03 | C04 | H12 | 82.6° | 60.1° |
| H11 | C03 | C04 | H13 | 158.4° | 180.0° |
| H12 | C04 | C05 | H14 | 130.6° | 180.0° |
| H12 | C04 | C05 | H15 | 12.7° | 60.0° |
| H13 | C04 | C05 | H14 | 110.4° | 60.0° |
| H13 | C04 | C05 | H15 | 131.7° | 180.0° |
| H14 | C05 | C06 | H16 | 104.3° | 180.0° |
| H14 | C05 | C06 | H1 | 14.0° | 59.9° |
| H15 | C05 | C06 | H16 | 137.7° | 60.0° |
| H15 | C05 | C06 | H1 | 103.9° | 180.0° |
| H16 | C06 | C07 | H17 | 176.1° | 180.0° |
| H16 | C06 | C07 | H2 | 58.2° | 60.0° |
| H17 | C07 | C06 | H1 | 65.6° | 59.9° |
| HA | CA | N | H | 165.7° | 145.0° |
| HE2 | CE | NZ | HZ1 | 60.0° | 60.0° |
| HE2 | CE | NZ | HZ2 | 180.0° | 176.0° |
| HE3 | CE | NZ | HZ1 | 59.9° | 60.0° |
| HE3 | CE | NZ | HZ2 | 60.0° | 63.9° |
| H1 | C06 | C07 | H2 | 176.5° | 180.0° |
