56C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | O01 | sing | 1.43Å | 1.40Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | O02 | sing | 1.43Å | 1.40Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | O04 | sing | 1.43Å | 1.40Å | |
| C04 | O02 | sing | 1.43Å | 1.40Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| O01 | C01 | sing | 1.43Å | 1.40Å | |
| C06 | O04 | sing | 1.43Å | 1.40Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C08 | N02 | sing | 1.47Å | 1.45Å | |
| N04 | N03 | doub | 1.12Å | 1.27Å | |
| N03 | N02 | doub | 1.12Å | 1.22Å | |
| C02 | N01 | sing | 1.46Å | 1.45Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| NE | CZ | sing | 1.37Å | 1.32Å | |
| NE | CD | sing | 1.47Å | 1.45Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| N01 | CZ | sing | 1.37Å | 1.32Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CZ | NH1 | doub | 1.30Å | 1.32Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.03Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| CD | H10 | sing | 1.09Å | 1.10Å | |
| CD | H11 | sing | 1.09Å | 1.10Å | |
| NE | H12 | sing | 0.97Å | 1.00Å | |
| NH1 | H13 | sing | 0.97Å | 1.00Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C02 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| N04 | H21 | sing | 0.97Å | 1.00Å | |
| C05 | H22 | sing | 1.09Å | 1.10Å | |
| C05 | H23 | sing | 1.09Å | 1.10Å | |
| C06 | H24 | sing | 1.09Å | 1.10Å | |
| C06 | H25 | sing | 1.09Å | 1.10Å | |
| C07 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C08 | H28 | sing | 1.09Å | 1.10Å | |
| C08 | H29 | sing | 1.09Å | 1.10Å | |
| N01 | H30 | sing | 0.97Å | 1.00Å | |
| C02 | H3 | 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) |
| C04 | C03 | O01 | 110.1° | 109.5° |
| C03 | C04 | O02 | 110.8° | 109.5° |
| C04 | C03 | H17 | 109.3° | 109.5° |
| C04 | C03 | H18 | 109.3° | 109.4° |
| C03 | C04 | H19 | 109.2° | 109.5° |
| C03 | C04 | H20 | 109.2° | 109.5° |
| C03 | O01 | C01 | 113.1° | 114.0° |
| O01 | C03 | H17 | 109.3° | 109.5° |
| O01 | C03 | H18 | 109.3° | 109.5° |
| C06 | C05 | O02 | 110.0° | 109.5° |
| C05 | C06 | O04 | 109.5° | 109.5° |
| C06 | C05 | H22 | 109.4° | 109.4° |
| C06 | C05 | H23 | 109.3° | 109.4° |
| C05 | C06 | H24 | 109.5° | 109.5° |
| C05 | C06 | H25 | 109.5° | 109.5° |
| C05 | O02 | C04 | 114.2° | 114.0° |
| O02 | C05 | H22 | 109.3° | 109.5° |
| O02 | C05 | H23 | 109.4° | 109.5° |
| C08 | C07 | O04 | 110.0° | 109.5° |
| C07 | C08 | N02 | 110.2° | 109.5° |
| C08 | C07 | H26 | 109.3° | 109.5° |
| C08 | C07 | H27 | 109.3° | 109.5° |
| C07 | C08 | H28 | 109.3° | 109.5° |
| C07 | C08 | H29 | 109.3° | 109.5° |
| C07 | O04 | C06 | 114.8° | 114.1° |
| O04 | C07 | H26 | 109.3° | 109.5° |
| O04 | C07 | H27 | 109.3° | 109.5° |
| O02 | C04 | H19 | 109.1° | 109.4° |
| O02 | C04 | H20 | 109.1° | 109.4° |
| N | CA | CB | 112.4° | 109.5° |
| N | CA | C | 108.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 109.1° | 109.4° |
| O01 | C01 | C02 | 111.7° | 109.5° |
| O01 | C01 | H14 | 108.9° | 109.5° |
| O01 | C01 | H15 | 108.9° | 109.4° |
| O04 | C06 | H24 | 109.4° | 109.4° |
| O04 | C06 | H25 | 109.5° | 109.4° |
| C01 | C02 | N01 | 117.5° | 109.4° |
| C02 | C01 | H14 | 108.9° | 109.5° |
| C02 | C01 | H15 | 108.9° | 109.4° |
| C01 | C02 | H16 | 107.4° | 109.5° |
| C01 | C02 | H3 | 107.4° | 109.4° |
| C08 | N02 | N03 | 116.5° | 120.0° |
| N02 | C08 | H28 | 109.3° | 109.5° |
| N02 | C08 | H29 | 109.3° | 109.5° |
| N04 | N03 | N02 | 179.7° | 179.9° |
| N03 | N04 | H21 | 112.0° | 120.0° |
| C02 | N01 | CZ | 122.4° | 120.0° |
| N01 | C02 | H16 | 107.4° | 109.5° |
| C02 | N01 | H30 | 118.8° | 120.0° |
| N01 | C02 | H3 | 107.4° | 109.5° |
| CB | CG | CD | 109.4° | 109.4° |
| CG | CB | CA | 113.6° | 109.4° |
| CG | CB | H6 | 108.4° | 109.5° |
| CG | CB | H7 | 108.4° | 109.5° |
| CB | CG | H8 | 109.5° | 109.5° |
| CB | CG | H9 | 109.5° | 109.5° |
| CG | CD | NE | 117.7° | 109.4° |
| CD | CG | H8 | 109.5° | 109.5° |
| CD | CG | H9 | 109.5° | 109.4° |
| CG | CD | H10 | 107.3° | 109.4° |
| CG | CD | H11 | 107.4° | 109.4° |
| CZ | NE | CD | 120.2° | 119.9° |
| NE | CZ | N01 | 122.2° | 120.0° |
| NE | CZ | NH1 | 118.9° | 120.0° |
| CZ | NE | H12 | 119.9° | 120.1° |
| NE | CD | H10 | 107.4° | 109.5° |
| NE | CD | H11 | 107.3° | 109.5° |
| CD | NE | H12 | 119.9° | 120.0° |
| CB | CA | C | 110.3° | 109.5° |
| CB | CA | HA | 108.2° | 109.5° |
| CA | CB | H6 | 108.4° | 109.4° |
| CA | CB | H7 | 108.4° | 109.4° |
| N01 | CZ | NH1 | 118.9° | 120.0° |
| CZ | N01 | H30 | 118.8° | 120.0° |
| CA | C | O | 121.0° | 120.0° |
| C | CA | HA | 108.1° | 109.5° |
| CA | C | OXT | 119.5° | 120.0° |
| CZ | NH1 | H13 | 112.0° | 120.0° |
| O | C | OXT | 119.5° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 109.5° | 116.9° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CG | H9 | 109.4° | 109.5° |
| H10 | CD | H11 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.4° | 109.4° |
| H16 | C02 | H3 | 109.5° | 109.5° |
| H17 | C03 | H18 | 109.5° | 109.5° |
| H19 | C04 | H20 | 109.5° | 109.5° |
| H22 | C05 | H23 | 109.5° | 109.5° |
| H24 | C06 | H25 | 109.5° | 109.5° |
| H26 | C07 | H27 | 109.5° | 109.5° |
| H28 | C08 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | O01 | H17 | 120.1° | 120.0° |
| C04 | C03 | O01 | H18 | 120.1° | 120.0° |
| C03 | C04 | O02 | C05 | 60.1° | 180.0° |
| C03 | C04 | O02 | H19 | 120.2° | 120.0° |
| C03 | C04 | O02 | H20 | 120.2° | 120.0° |
| C04 | C03 | O01 | C01 | 149.8° | 180.0° |
| C04 | C03 | H17 | H18 | 119.7° | 120.0° |
| C03 | C04 | H19 | H20 | 119.4° | 120.1° |
| O01 | C03 | C04 | O02 | 96.1° | 65.0° |
| C03 | O01 | C01 | C02 | 145.5° | 180.0° |
| C03 | O01 | C01 | H14 | 94.2° | 59.9° |
| C03 | O01 | C01 | H15 | 25.1° | 60.0° |
| O01 | C03 | H17 | H18 | 119.7° | 120.0° |
| O01 | C03 | C04 | H19 | 24.1° | 55.0° |
| O01 | C03 | C04 | H20 | 143.7° | 175.1° |
| C06 | C05 | O02 | H22 | 120.1° | 120.0° |
| C06 | C05 | O02 | H23 | 120.1° | 120.0° |
| C05 | C06 | O04 | C07 | 103.4° | 180.0° |
| C06 | C05 | O02 | C04 | 173.8° | 180.0° |
| C05 | C06 | O04 | H24 | 120.0° | 120.0° |
| C05 | C06 | O04 | H25 | 120.0° | 120.0° |
| C06 | C05 | H22 | H23 | 119.8° | 119.9° |
| C05 | C06 | H24 | H25 | 120.0° | 120.0° |
| O02 | C05 | C06 | O04 | 114.2° | 65.0° |
| C05 | O02 | C04 | H19 | 179.7° | 60.0° |
| C05 | O02 | C04 | H20 | 60.1° | 60.0° |
| O02 | C05 | H22 | H23 | 119.8° | 120.1° |
| O02 | C05 | C06 | H24 | 5.8° | 55.0° |
| O02 | C05 | C06 | H25 | 125.8° | 175.0° |
| C08 | C07 | O04 | H26 | 120.1° | 120.0° |
| C08 | C07 | O04 | H27 | 120.1° | 120.0° |
| C08 | C07 | O04 | C06 | 104.8° | 180.0° |
| C07 | C08 | N02 | H28 | 120.1° | 120.0° |
| C07 | C08 | N02 | H29 | 120.1° | 120.0° |
| C07 | C08 | N02 | N03 | 147.6° | 120.0° |
| C08 | C07 | H26 | H27 | 119.7° | 120.0° |
| C07 | C08 | H28 | H29 | 119.6° | 120.0° |
| O04 | C07 | C08 | N02 | 113.1° | 65.0° |
| C07 | O04 | C06 | H24 | 136.6° | 60.0° |
| C07 | O04 | C06 | H25 | 16.6° | 60.0° |
| O04 | C07 | H26 | H27 | 119.8° | 120.0° |
| O04 | C07 | C08 | H28 | 7.0° | 55.0° |
| O04 | C07 | C08 | H29 | 126.8° | 175.0° |
| O02 | C04 | C03 | H17 | 24.0° | 55.0° |
| O02 | C04 | C03 | H18 | 143.8° | 175.0° |
| O02 | C04 | H19 | H20 | 119.4° | 120.0° |
| C04 | O02 | C05 | H22 | 66.1° | 60.0° |
| C04 | O02 | C05 | H23 | 53.7° | 60.0° |
| N | CA | CB | CG | 53.0° | 65.0° |
| N | CA | CB | C | 121.4° | 120.0° |
| N | CA | CB | HA | 120.5° | 120.0° |
| N | CA | C | HA | 118.3° | 119.9° |
| N | CA | C | O | 147.6° | 20.1° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 32.4° | 160.0° |
| N | CA | CB | H6 | 173.6° | 55.0° |
| N | CA | CB | H7 | 67.6° | 175.0° |
| O01 | C01 | C02 | H14 | 120.3° | 120.1° |
| O01 | C01 | C02 | H15 | 120.4° | 120.0° |
| O01 | C01 | C02 | N01 | 141.9° | 65.0° |
| O01 | C01 | H14 | H15 | 119.0° | 120.0° |
| O01 | C01 | C02 | H16 | 97.0° | 175.0° |
| C01 | O01 | C03 | H17 | 29.7° | 60.0° |
| C01 | O01 | C03 | H18 | 90.1° | 60.0° |
| O01 | C01 | C02 | H3 | 20.8° | 55.0° |
| O04 | C06 | C05 | H22 | 5.9° | 55.0° |
| O04 | C06 | C05 | H23 | 125.7° | 175.0° |
| O04 | C06 | H24 | H25 | 120.0° | 119.9° |
| C06 | O04 | C07 | H26 | 135.1° | 60.0° |
| C06 | O04 | C07 | H27 | 15.2° | 60.0° |
| C01 | C02 | N01 | H16 | 121.1° | 120.0° |
| C01 | C02 | N01 | H3 | 121.2° | 120.0° |
| C01 | C02 | N01 | CZ | 179.3° | 180.0° |
| C02 | C01 | H14 | H15 | 119.0° | 119.9° |
| C01 | C02 | H16 | H3 | 116.4° | 120.0° |
| C01 | C02 | N01 | H30 | 0.7° | 0.0° |
| C08 | N02 | N03 | N04 | 167.6° | 25.4° |
| N02 | C08 | C07 | H26 | 7.0° | 55.0° |
| N02 | C08 | C07 | H27 | 126.8° | 175.0° |
| N02 | C08 | H28 | H29 | 119.7° | 120.0° |
| N02 | N03 | N04 | H21 | 0.0° | 64.6° |
| N03 | N02 | C08 | H28 | 92.3° | 120.0° |
| N03 | N02 | C08 | H29 | 27.5° | 0.0° |
| C02 | N01 | CZ | NE | 0.6° | 180.0° |
| C02 | N01 | CZ | H30 | 180.0° | 180.0° |
| C02 | N01 | CZ | NH1 | 179.7° | 0.0° |
| N01 | C02 | C01 | H14 | 21.6° | 55.1° |
| N01 | C02 | C01 | H15 | 97.7° | 175.0° |
| N01 | C02 | H16 | H3 | 116.4° | 120.0° |
| CB | CG | CD | H8 | 120.0° | 120.0° |
| CB | CG | CD | H9 | 120.0° | 120.0° |
| CB | CG | CD | NE | 179.5° | 180.0° |
| CG | CB | CA | H6 | 120.6° | 120.0° |
| CG | CB | CA | H7 | 120.6° | 120.0° |
| CG | CB | CA | C | 174.4° | 175.0° |
| CG | CB | CA | HA | 67.6° | 55.0° |
| CG | CB | H6 | H7 | 118.1° | 120.1° |
| CB | CG | H8 | H9 | 120.0° | 120.1° |
| CB | CG | CD | H10 | 59.3° | 60.0° |
| CB | CG | CD | H11 | 58.3° | 60.0° |
| CG | CD | NE | CZ | 136.8° | 180.0° |
| CG | CD | NE | H10 | 121.2° | 120.0° |
| CG | CD | NE | H11 | 121.2° | 120.0° |
| CD | CG | CB | CA | 111.7° | 180.0° |
| CD | CG | CB | H6 | 9.0° | 60.0° |
| CD | CG | CB | H7 | 127.7° | 60.0° |
| CD | CG | H8 | H9 | 120.0° | 120.0° |
| CG | CD | H10 | H11 | 116.3° | 119.9° |
| CG | CD | NE | H12 | 43.2° | 0.1° |
| CZ | NE | CD | H12 | 180.0° | 179.9° |
| NE | CZ | N01 | NH1 | 179.0° | 180.0° |
| CZ | NE | CD | H10 | 15.7° | 60.0° |
| CZ | NE | CD | H11 | 102.0° | 60.1° |
| NE | CZ | NH1 | H13 | 179.1° | 179.9° |
| NE | CZ | N01 | H30 | 179.4° | 0.0° |
| CD | NE | CZ | N01 | 178.2° | 180.0° |
| CD | NE | CZ | NH1 | 0.8° | 0.0° |
| NE | CD | CG | H8 | 59.4° | 60.0° |
| NE | CD | CG | H9 | 60.5° | 60.0° |
| NE | CD | H10 | H11 | 116.2° | 120.1° |
| CB | CA | C | HA | 118.1° | 120.0° |
| CB | CA | C | O | 24.0° | 100.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CB | CA | C | OXT | 156.0° | 80.0° |
| CA | CB | H6 | H7 | 118.1° | 119.9° |
| CA | CB | CG | H8 | 8.3° | 60.0° |
| CA | CB | CG | H9 | 128.3° | 60.0° |
| N01 | CZ | NE | H12 | 1.8° | 0.1° |
| N01 | CZ | NH1 | H13 | 0.0° | 0.1° |
| CZ | N01 | C02 | H16 | 58.2° | 60.0° |
| CZ | N01 | C02 | H3 | 59.6° | 60.0° |
| CA | C | O | OXT | 180.0° | 180.0° |
| C | CA | N | H | 57.7° | 63.9° |
| C | CA | N | H2 | 62.3° | 60.1° |
| C | CA | CB | H6 | 65.0° | 65.0° |
| C | CA | CB | H7 | 53.8° | 55.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| NH1 | CZ | NE | H12 | 179.2° | 179.9° |
| NH1 | CZ | N01 | H30 | 0.4° | 180.0° |
| O | C | CA | HA | 94.1° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H | N | CA | HA | 60.0° | 56.1° |
| H2 | N | CA | HA | 180.0° | 180.0° |
| HA | CA | C | OXT | 85.9° | 40.0° |
| HA | CA | CB | H6 | 53.1° | 175.0° |
| HA | CA | CB | H7 | 171.8° | 65.0° |
| H6 | CB | CG | H8 | 129.0° | 180.0° |
| H6 | CB | CG | H9 | 111.0° | 59.9° |
| H7 | CB | CG | H8 | 112.3° | 60.0° |
| H7 | CB | CG | H9 | 7.7° | 180.0° |
| H8 | CG | CD | H10 | 179.4° | 180.0° |
| H8 | CG | CD | H11 | 61.7° | 60.0° |
| H9 | CG | CD | H10 | 60.7° | 60.0° |
| H9 | CG | CD | H11 | 178.3° | 180.0° |
| H10 | CD | NE | H12 | 164.3° | 119.9° |
| H11 | CD | NE | H12 | 78.0° | 120.0° |
| H14 | C01 | C02 | H16 | 142.7° | 64.9° |
| H14 | C01 | C02 | H3 | 99.6° | 175.1° |
| H15 | C01 | C02 | H16 | 23.4° | 55.0° |
| H15 | C01 | C02 | H3 | 141.1° | 65.0° |
| H16 | C02 | N01 | H30 | 121.8° | 120.0° |
| H17 | C03 | C04 | H19 | 144.2° | 175.0° |
| H17 | C03 | C04 | H20 | 96.2° | 64.9° |
| H18 | C03 | C04 | H19 | 96.0° | 65.0° |
| H18 | C03 | C04 | H20 | 23.6° | 55.1° |
| H22 | C05 | C06 | H24 | 125.9° | 175.0° |
| H22 | C05 | C06 | H25 | 114.1° | 65.0° |
| H23 | C05 | C06 | H24 | 114.3° | 65.0° |
| H23 | C05 | C06 | H25 | 5.7° | 55.0° |
| H26 | C07 | C08 | H28 | 127.1° | 175.0° |
| H26 | C07 | C08 | H29 | 113.1° | 65.0° |
| H27 | C07 | C08 | H28 | 113.0° | 65.0° |
| H27 | C07 | C08 | H29 | 6.7° | 55.0° |
| H30 | N01 | C02 | H3 | 120.5° | 120.0° |
