C1J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NH1 | CZ | doub | 1.30Å | 1.39Å | |
| CZ | NH2 | sing | 1.37Å | 1.37Å | |
| CZ | NE | sing | 1.38Å | 1.39Å | |
| NH2 | C02 | sing | 1.47Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.27Å | |
| CD | NE | sing | 1.47Å | 1.47Å | |
| CD | CG | sing | 1.53Å | 1.50Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.50Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| C03 | C01 | sing | 1.53Å | 1.51Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C05 | C06 | sing | 1.53Å | 1.49Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| 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 | |
| NH2 | H14 | sing | 0.97Å | 1.00Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C05 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| C06 | H25 | sing | 1.09Å | 1.10Å | |
| C06 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C07 | H28 | sing | 1.09Å | 1.10Å | |
| C08 | H29 | sing | 1.09Å | 1.10Å | |
| C08 | H30 | sing | 1.09Å | 1.10Å | |
| C08 | H31 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NH1 | CZ | NH2 | 113.5° | 120.0° |
| NH1 | CZ | NE | 122.6° | 120.0° |
| CZ | NH1 | H13 | 112.0° | 120.0° |
| NH2 | CZ | NE | 123.9° | 120.0° |
| CZ | NH2 | C02 | 119.2° | 120.0° |
| CZ | NH2 | H14 | 120.4° | 120.0° |
| CZ | NE | CD | 119.3° | 120.0° |
| CZ | NE | H12 | 120.4° | 120.0° |
| NH2 | C02 | C01 | 109.6° | 109.4° |
| C02 | NH2 | H14 | 120.4° | 120.0° |
| NH2 | C02 | H17 | 109.4° | 109.5° |
| NH2 | C02 | H18 | 109.4° | 109.5° |
| O | C | CA | 117.5° | 119.9° |
| O | C | OXT | 124.2° | 120.1° |
| NE | CD | CG | 110.3° | 109.5° |
| NE | CD | H10 | 109.2° | 109.5° |
| NE | CD | H11 | 109.2° | 109.5° |
| CD | NE | H12 | 120.3° | 120.0° |
| CD | CG | CB | 109.5° | 109.4° |
| CD | CG | H8 | 109.4° | 109.5° |
| CD | CG | H9 | 109.5° | 109.5° |
| CG | CD | H10 | 109.3° | 109.5° |
| CG | CD | H11 | 109.3° | 109.4° |
| CG | CB | CA | 109.3° | 109.4° |
| CG | CB | H6 | 109.5° | 109.4° |
| CG | CB | H7 | 109.5° | 109.5° |
| CB | CG | H8 | 109.5° | 109.5° |
| CB | CG | H9 | 109.4° | 109.5° |
| CB | CA | C | 109.8° | 109.4° |
| CB | CA | N | 112.2° | 109.5° |
| CB | CA | HA | 107.5° | 109.4° |
| CA | CB | H6 | 109.5° | 109.5° |
| CA | CB | H7 | 109.5° | 109.5° |
| C02 | C01 | C03 | 110.5° | 109.4° |
| C02 | C01 | H15 | 109.2° | 109.5° |
| C02 | C01 | H16 | 109.2° | 109.5° |
| C01 | C02 | H17 | 109.4° | 109.5° |
| C01 | C02 | H18 | 109.4° | 109.5° |
| C | CA | N | 110.7° | 109.5° |
| C | CA | HA | 107.8° | 109.5° |
| CA | C | OXT | 118.3° | 120.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.6° | 109.5° |
| C01 | C03 | C04 | 110.8° | 109.4° |
| C03 | C01 | H15 | 109.2° | 109.5° |
| C03 | C01 | H16 | 109.2° | 109.5° |
| C01 | C03 | H19 | 109.1° | 109.5° |
| C01 | C03 | H20 | 109.2° | 109.5° |
| C03 | C04 | C05 | 111.0° | 109.4° |
| C04 | C03 | H19 | 109.2° | 109.5° |
| C04 | C03 | H20 | 109.1° | 109.5° |
| C03 | C04 | H21 | 109.1° | 109.5° |
| C03 | C04 | H22 | 109.1° | 109.5° |
| C04 | C05 | C06 | 109.7° | 109.4° |
| C05 | C04 | H21 | 109.1° | 109.5° |
| C05 | C04 | H22 | 109.1° | 109.5° |
| C04 | C05 | H23 | 109.4° | 109.4° |
| C04 | C05 | H24 | 109.4° | 109.5° |
| C05 | C06 | C07 | 108.7° | 109.4° |
| C06 | C05 | H23 | 109.4° | 109.4° |
| C06 | C05 | H24 | 109.4° | 109.5° |
| C05 | C06 | H25 | 109.7° | 109.5° |
| C05 | C06 | H26 | 109.7° | 109.5° |
| C06 | C07 | C08 | 109.5° | 109.4° |
| C07 | C06 | H25 | 109.7° | 109.5° |
| C07 | C06 | H26 | 109.7° | 109.5° |
| C06 | C07 | H27 | 109.5° | 109.5° |
| C06 | C07 | H28 | 109.5° | 109.5° |
| C08 | C07 | H27 | 109.5° | 109.5° |
| C08 | C07 | H28 | 109.5° | 109.5° |
| C07 | C08 | H29 | 109.5° | 109.5° |
| C07 | C08 | H30 | 109.5° | 109.5° |
| C07 | C08 | H31 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.4° | 109.5° |
| H8 | CG | H9 | 109.5° | 109.5° |
| H10 | CD | H11 | 109.5° | 109.5° |
| H15 | C01 | H16 | 109.5° | 109.5° |
| H17 | C02 | H18 | 109.5° | 109.5° |
| H19 | C03 | H20 | 109.5° | 109.4° |
| H21 | C04 | H22 | 109.5° | 109.4° |
| H23 | C05 | H24 | 109.5° | 109.5° |
| H25 | C06 | H26 | 109.4° | 109.4° |
| H27 | C07 | H28 | 109.5° | 109.4° |
| H29 | C08 | H30 | 109.5° | 109.4° |
| H29 | C08 | H31 | 109.5° | 109.5° |
| H30 | C08 | H31 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NH1 | CZ | NH2 | NE | 179.6° | 179.9° |
| NH1 | CZ | NH2 | C02 | 179.7° | 0.1° |
| NH1 | CZ | NE | CD | 0.1° | 0.0° |
| NH1 | CZ | NE | H12 | 179.9° | 180.0° |
| NH1 | CZ | NH2 | H14 | 0.3° | 180.0° |
| CZ | NH2 | C02 | H14 | 180.0° | 179.9° |
| NH2 | CZ | NE | CD | 179.7° | 179.9° |
| CZ | NH2 | C02 | C01 | 105.7° | 180.0° |
| NH2 | CZ | NE | H12 | 0.3° | 0.1° |
| NH2 | CZ | NH1 | H13 | 179.6° | 180.0° |
| CZ | NH2 | C02 | H17 | 134.2° | 60.1° |
| CZ | NH2 | C02 | H18 | 14.3° | 60.0° |
| NE | CZ | NH2 | C02 | 0.7° | 180.0° |
| CZ | NE | CD | H12 | 180.0° | 180.0° |
| CZ | NE | CD | CG | 165.6° | 180.0° |
| CZ | NE | CD | H10 | 74.3° | 60.0° |
| CZ | NE | CD | H11 | 45.5° | 60.0° |
| NE | CZ | NH1 | H13 | 0.0° | 0.0° |
| NE | CZ | NH2 | H14 | 179.3° | 0.1° |
| NH2 | C02 | C01 | H17 | 120.0° | 120.0° |
| NH2 | C02 | C01 | H18 | 120.0° | 120.0° |
| NH2 | C02 | C01 | C03 | 63.5° | 180.0° |
| NH2 | C02 | C01 | H15 | 176.4° | 60.0° |
| NH2 | C02 | C01 | H16 | 56.7° | 60.0° |
| NH2 | C02 | H17 | H18 | 119.9° | 120.0° |
| O | C | CA | CB | 23.0° | 100.1° |
| O | C | CA | OXT | 178.9° | 180.0° |
| O | C | CA | N | 147.5° | 20.0° |
| O | C | CA | HA | 93.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| NE | CD | CG | H10 | 120.1° | 120.1° |
| NE | CD | CG | H11 | 120.1° | 120.0° |
| NE | CD | CG | CB | 168.4° | 180.0° |
| NE | CD | CG | H8 | 48.3° | 59.9° |
| NE | CD | CG | H9 | 71.7° | 60.1° |
| NE | CD | H10 | H11 | 119.6° | 120.0° |
| CD | CG | CB | H8 | 120.0° | 120.0° |
| CD | CG | CB | H9 | 120.0° | 120.0° |
| CD | CG | CB | CA | 151.6° | 179.9° |
| CD | CG | CB | H6 | 31.6° | 60.0° |
| CD | CG | CB | H7 | 88.5° | 60.0° |
| CD | CG | H8 | H9 | 120.0° | 120.0° |
| CG | CD | H10 | H11 | 119.6° | 119.9° |
| CG | CD | NE | H12 | 14.4° | 0.0° |
| CG | CB | CA | H6 | 120.0° | 119.9° |
| CG | CB | CA | H7 | 120.0° | 120.0° |
| CG | CB | CA | C | 172.3° | 175.0° |
| CG | CB | CA | N | 64.0° | 65.0° |
| CG | CB | CA | HA | 55.3° | 55.0° |
| CG | CB | H6 | H7 | 120.1° | 120.0° |
| CB | CG | H8 | H9 | 120.0° | 120.0° |
| CB | CG | CD | H10 | 71.5° | 60.0° |
| CB | CG | CD | H11 | 48.3° | 60.0° |
| CB | CA | C | N | 124.5° | 120.0° |
| CB | CA | C | HA | 116.8° | 119.9° |
| CB | CA | N | HA | 118.7° | 120.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H6 | H7 | 120.1° | 120.1° |
| CA | CB | CG | H8 | 88.4° | 60.0° |
| CA | CB | CG | H9 | 31.6° | 60.0° |
| CB | CA | C | OXT | 155.9° | 80.0° |
| C02 | C01 | C03 | H15 | 120.2° | 120.0° |
| C02 | C01 | C03 | H16 | 120.1° | 119.9° |
| C02 | C01 | C03 | C04 | 177.6° | 180.0° |
| C01 | C02 | NH2 | H14 | 74.3° | 0.0° |
| C02 | C01 | H15 | H16 | 119.5° | 120.0° |
| C01 | C02 | H17 | H18 | 119.9° | 120.0° |
| C02 | C01 | C03 | H19 | 57.4° | 60.0° |
| C02 | C01 | C03 | H20 | 62.2° | 60.0° |
| C | CA | N | HA | 118.2° | 120.0° |
| C | CA | N | H | 56.9° | 64.0° |
| C | CA | N | H2 | 63.1° | 60.0° |
| C | CA | CB | H6 | 52.3° | 65.1° |
| C | CA | CB | H7 | 67.7° | 55.0° |
| CA | C | OXT | HXT | 178.8° | 180.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H6 | 176.0° | 54.9° |
| N | CA | CB | H7 | 55.9° | 175.0° |
| N | CA | C | OXT | 31.4° | 160.0° |
| C01 | C03 | C04 | H19 | 120.2° | 120.0° |
| C01 | C03 | C04 | H20 | 120.2° | 120.0° |
| C01 | C03 | C04 | C05 | 21.3° | 180.0° |
| C03 | C01 | H15 | H16 | 119.5° | 120.0° |
| C03 | C01 | C02 | H17 | 56.5° | 60.0° |
| C03 | C01 | C02 | H18 | 176.5° | 60.0° |
| C01 | C03 | H19 | H20 | 119.4° | 120.0° |
| C01 | C03 | C04 | H21 | 99.0° | 60.0° |
| C01 | C03 | C04 | H22 | 141.5° | 60.0° |
| C03 | C04 | C05 | H21 | 120.2° | 120.0° |
| C03 | C04 | C05 | H22 | 120.2° | 120.0° |
| C03 | C04 | C05 | C06 | 116.7° | NaN° |
| C04 | C03 | C01 | H15 | 62.2° | 60.0° |
| C04 | C03 | C01 | H16 | 57.5° | 60.0° |
| C04 | C03 | H19 | H20 | 119.4° | 120.0° |
| C03 | C04 | H21 | H22 | 119.3° | 120.0° |
| C03 | C04 | C05 | H23 | 123.3° | 60.1° |
| C03 | C04 | C05 | H24 | 3.4° | 60.0° |
| C04 | C05 | C06 | H23 | 120.0° | 119.9° |
| C04 | C05 | C06 | H24 | 120.0° | 120.0° |
| C04 | C05 | C06 | C07 | 146.7° | 180.0° |
| C05 | C04 | C03 | H19 | 141.5° | 60.0° |
| C05 | C04 | C03 | H20 | 98.9° | 60.0° |
| C05 | C04 | H21 | H22 | 119.3° | 120.0° |
| C04 | C05 | H23 | H24 | 119.9° | 120.0° |
| C04 | C05 | C06 | H25 | 26.8° | 60.0° |
| C04 | C05 | C06 | H26 | 93.4° | 60.0° |
| C05 | C06 | C07 | H25 | 119.9° | 120.0° |
| C05 | C06 | C07 | H26 | 119.9° | 120.0° |
| C05 | C06 | C07 | C08 | 179.0° | 180.0° |
| C06 | C05 | C04 | H21 | 3.6° | 60.0° |
| C06 | C05 | C04 | H22 | 123.1° | 60.0° |
| C06 | C05 | H23 | H24 | 119.9° | 120.0° |
| C05 | C06 | H25 | H26 | 120.3° | 120.0° |
| C05 | C06 | C07 | H27 | 58.9° | 60.0° |
| C05 | C06 | C07 | H28 | 61.0° | 60.0° |
| C06 | C07 | C08 | H27 | 120.0° | 120.0° |
| C06 | C07 | C08 | H28 | 120.0° | 120.0° |
| C07 | C06 | C05 | H23 | 93.3° | 60.1° |
| C07 | C06 | C05 | H24 | 26.6° | 60.0° |
| C07 | C06 | H25 | H26 | 120.3° | 120.0° |
| C06 | C07 | H27 | H28 | 120.0° | 120.0° |
| C06 | C07 | C08 | H29 | 180.0° | 180.0° |
| C06 | C07 | C08 | H30 | 60.0° | 60.1° |
| C06 | C07 | C08 | H31 | 60.0° | 60.0° |
| C08 | C07 | C06 | H25 | 61.1° | 60.0° |
| C08 | C07 | C06 | H26 | 59.0° | 60.0° |
| C08 | C07 | H27 | H28 | 120.0° | 120.0° |
| C07 | C08 | H29 | H30 | 120.0° | 119.9° |
| C07 | C08 | H29 | H31 | 120.0° | 120.0° |
| C07 | C08 | H30 | H31 | 120.0° | 120.1° |
| H | N | CA | HA | 61.3° | 56.1° |
| H2 | N | CA | HA | 178.7° | 180.0° |
| HA | CA | CB | H6 | 64.7° | 175.0° |
| HA | CA | CB | H7 | 175.3° | 64.9° |
| HA | CA | C | OXT | 87.3° | 40.0° |
| H6 | CB | CG | H8 | 151.5° | 180.0° |
| H6 | CB | CG | H9 | 88.4° | 59.9° |
| H7 | CB | CG | H8 | 31.5° | 60.0° |
| H7 | CB | CG | H9 | 151.6° | 180.0° |
| H8 | CG | CD | H10 | 168.4° | 180.0° |
| H8 | CG | CD | H11 | 71.8° | 60.0° |
| H9 | CG | CD | H10 | 48.4° | 60.0° |
| H9 | CG | CD | H11 | 168.2° | 180.0° |
| H10 | CD | NE | H12 | 105.7° | 120.0° |
| H11 | CD | NE | H12 | 134.5° | 120.0° |
| H14 | NH2 | C02 | H17 | 45.8° | 120.0° |
| H14 | NH2 | C02 | H18 | 165.7° | 120.0° |
| H15 | C01 | C02 | H17 | 63.6° | 180.0° |
| H15 | C01 | C02 | H18 | 56.4° | 60.0° |
| H15 | C01 | C03 | H19 | 177.5° | 180.0° |
| H15 | C01 | C03 | H20 | 57.9° | 60.0° |
| H16 | C01 | C02 | H17 | 176.7° | 59.9° |
| H16 | C01 | C02 | H18 | 63.3° | 180.0° |
| H16 | C01 | C03 | H19 | 62.7° | 60.0° |
| H16 | C01 | C03 | H20 | 177.6° | 180.0° |
| H19 | C03 | C04 | H21 | 21.2° | 180.0° |
| H19 | C03 | C04 | H22 | 98.3° | 60.0° |
| H20 | C03 | C04 | H21 | 140.8° | 60.0° |
| H20 | C03 | C04 | H22 | 21.3° | 180.0° |
| H21 | C04 | C05 | H23 | 116.5° | 180.0° |
| H21 | C04 | C05 | H24 | 123.6° | 60.0° |
| H22 | C04 | C05 | H23 | 3.1° | 60.0° |
| H22 | C04 | C05 | H24 | 116.8° | NaN° |
| H23 | C05 | C06 | H25 | 146.8° | 180.0° |
| H23 | C05 | C06 | H26 | 26.6° | 60.0° |
| H24 | C05 | C06 | H25 | 93.3° | 60.0° |
| H24 | C05 | C06 | H26 | 146.6° | 180.0° |
| H25 | C06 | C07 | H27 | 178.9° | 180.0° |
| H25 | C06 | C07 | H28 | 58.9° | 60.0° |
| H26 | C06 | C07 | H27 | 61.0° | 60.0° |
| H26 | C06 | C07 | H28 | 179.1° | NaN° |
| H27 | C07 | C08 | H29 | 60.0° | 60.0° |
| H27 | C07 | C08 | H30 | 180.0° | 179.9° |
| H27 | C07 | C08 | H31 | 60.0° | 60.0° |
| H28 | C07 | C08 | H29 | 60.0° | 60.0° |
| H28 | C07 | C08 | H30 | 60.0° | 59.9° |
| H28 | C07 | C08 | H31 | 180.0° | 180.0° |
| H29 | C08 | H30 | H31 | 120.0° | 120.0° |
