C6D
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.46Å | |
C03 | O2 | sing | 1.43Å | 1.39Å | |
C03 | C01 | sing | 1.53Å | 1.50Å | |
C01 | C02 | sing | 1.53Å | 1.50Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
C02 | NH2 | sing | 1.46Å | 1.46Å | |
CG | CB | sing | 1.53Å | 1.52Å | |
CG | CD | sing | 1.53Å | 1.51Å | |
C | O | doub | 1.21Å | 1.23Å | |
NE | CD | sing | 1.47Å | 1.45Å | |
NE | CZ | sing | 1.38Å | 1.32Å | |
NH2 | CZ | sing | 1.37Å | 1.33Å | |
CZ | NH1 | doub | 1.30Å | 1.32Å | |
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 | |
O2 | H21 | sing | 0.97Å | 0.95Å | |
C | OXT | sing | 1.34Å | 1.32Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | CA | C | 110.1° | 109.5° |
N | CA | CB | 111.4° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 108.9° | 109.4° |
O2 | C03 | C01 | 109.1° | 109.4° |
O2 | C03 | H19 | 109.6° | 109.5° |
O2 | C03 | H20 | 109.6° | 109.5° |
C03 | O2 | H21 | 109.5° | 114.0° |
C03 | C01 | C02 | 110.6° | 109.5° |
C03 | C01 | H15 | 109.2° | 109.5° |
C03 | C01 | H16 | 109.2° | 109.5° |
C01 | C03 | H19 | 109.5° | 109.4° |
C01 | C03 | H20 | 109.6° | 109.5° |
C01 | C02 | NH2 | 108.3° | 109.5° |
C02 | C01 | H15 | 109.2° | 109.5° |
C02 | C01 | H16 | 109.2° | 109.4° |
C01 | C02 | H17 | 109.8° | 109.4° |
C01 | C02 | H18 | 109.8° | 109.4° |
C | CA | CB | 110.3° | 109.5° |
CA | C | O | 120.8° | 120.0° |
C | CA | HA | 108.1° | 109.4° |
CA | C | OXT | 116.3° | 120.0° |
CA | CB | CG | 113.8° | 109.5° |
CB | CA | HA | 107.9° | 109.5° |
CA | CB | H6 | 108.4° | 109.4° |
CA | CB | H7 | 108.4° | 109.5° |
C02 | NH2 | CZ | 121.9° | 120.0° |
C02 | NH2 | H14 | 119.1° | 120.0° |
NH2 | C02 | H17 | 109.8° | 109.5° |
NH2 | C02 | H18 | 109.8° | 109.5° |
CB | CG | CD | 109.8° | 109.5° |
CG | CB | H6 | 108.4° | 109.5° |
CG | CB | H7 | 108.4° | 109.4° |
CB | CG | H8 | 109.4° | 109.5° |
CB | CG | H9 | 109.4° | 109.5° |
CG | CD | NE | 112.2° | 109.5° |
CD | CG | H8 | 109.4° | 109.5° |
CD | CG | H9 | 109.4° | 109.5° |
CG | CD | H10 | 108.8° | 109.5° |
CG | CD | H11 | 108.8° | 109.5° |
O | C | OXT | 122.9° | 119.9° |
CD | NE | CZ | 123.3° | 120.0° |
NE | CD | H10 | 108.8° | 109.4° |
NE | CD | H11 | 108.8° | 109.5° |
CD | NE | H12 | 118.3° | 120.0° |
NE | CZ | NH2 | 122.4° | 120.0° |
NE | CZ | NH1 | 117.3° | 120.0° |
CZ | NE | H12 | 118.4° | 120.0° |
NH2 | CZ | NH1 | 120.3° | 120.0° |
CZ | NH2 | H14 | 119.0° | 120.0° |
CZ | NH1 | H13 | 112.0° | 120.0° |
H | N | H2 | 109.4° | 111.0° |
H6 | CB | H7 | 109.5° | 109.5° |
H8 | CG | H9 | 109.5° | 109.5° |
H10 | CD | H11 | 109.4° | 109.5° |
H15 | C01 | H16 | 109.5° | 109.4° |
H17 | C02 | H18 | 109.4° | 109.5° |
H19 | C03 | H20 | 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) |
N | CA | C | CB | 123.3° | 120.0° |
N | CA | C | HA | 118.9° | 119.9° |
N | CA | CB | HA | 119.5° | 120.0° |
N | CA | CB | CG | 54.3° | 65.0° |
N | CA | C | O | 144.7° | 20.1° |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | CB | H6 | 66.4° | 55.0° |
N | CA | CB | H7 | 174.9° | 175.0° |
N | CA | C | OXT | 35.4° | 160.0° |
O2 | C03 | C01 | H19 | 119.9° | 120.0° |
O2 | C03 | C01 | H20 | 119.9° | 120.0° |
O2 | C03 | C01 | C02 | 115.1° | 180.0° |
O2 | C03 | C01 | H15 | 5.1° | 60.0° |
O2 | C03 | C01 | H16 | 124.7° | 60.0° |
O2 | C03 | H19 | H20 | 120.2° | 120.1° |
C03 | C01 | C02 | H15 | 120.2° | 120.0° |
C03 | C01 | C02 | H16 | 120.1° | 120.0° |
C03 | C01 | C02 | NH2 | 171.0° | 180.0° |
C03 | C01 | H15 | H16 | 119.5° | 120.0° |
C03 | C01 | C02 | H17 | 69.2° | 60.0° |
C03 | C01 | C02 | H18 | 51.2° | 60.0° |
C01 | C03 | H19 | H20 | 120.2° | 120.0° |
C01 | C03 | O2 | H21 | 180.0° | 180.0° |
C01 | C02 | NH2 | H17 | 119.8° | 120.0° |
C01 | C02 | NH2 | H18 | 119.8° | 120.0° |
C01 | C02 | NH2 | CZ | 160.7° | 180.0° |
C01 | C02 | NH2 | H14 | 19.3° | 0.0° |
C02 | C01 | H15 | H16 | 119.5° | 119.9° |
C01 | C02 | H17 | H18 | 120.6° | 119.9° |
C02 | C01 | C03 | H19 | 125.0° | 60.0° |
C02 | C01 | C03 | H20 | 4.8° | 60.0° |
C | CA | CB | HA | 117.9° | 120.0° |
C | CA | CB | CG | 176.9° | 175.0° |
CA | C | O | OXT | 179.8° | 179.9° |
C | CA | N | H | 180.0° | 63.9° |
C | CA | N | H2 | 60.0° | 60.0° |
C | CA | CB | H6 | 56.2° | 65.0° |
C | CA | CB | H7 | 62.5° | 55.0° |
CA | C | OXT | HXT | 179.8° | 180.0° |
CA | CB | CG | H6 | 120.6° | 120.0° |
CA | CB | CG | H7 | 120.7° | 120.0° |
CA | CB | CG | CD | 156.8° | 180.0° |
CB | CA | C | O | 21.4° | 100.0° |
CB | CA | N | H | 57.3° | 176.1° |
CB | CA | N | H2 | 177.3° | 60.0° |
CA | CB | H6 | H7 | 118.0° | 120.0° |
CA | CB | CG | H8 | 36.7° | 60.0° |
CA | CB | CG | H9 | 83.2° | 60.0° |
CB | CA | C | OXT | 158.8° | 80.0° |
C02 | NH2 | CZ | NE | 0.2° | 180.0° |
C02 | NH2 | CZ | H14 | 180.0° | 179.9° |
C02 | NH2 | CZ | NH1 | 179.7° | 0.0° |
NH2 | C02 | C01 | H15 | 50.8° | 60.0° |
NH2 | C02 | C01 | H16 | 68.8° | 60.0° |
NH2 | C02 | H17 | H18 | 120.5° | 120.0° |
CB | CG | CD | H8 | 120.1° | 120.0° |
CB | CG | CD | H9 | 120.0° | 120.0° |
CB | CG | CD | NE | 178.0° | 180.0° |
CG | CB | CA | HA | 65.2° | 55.0° |
CG | CB | H6 | H7 | 118.0° | 120.0° |
CB | CG | H8 | H9 | 119.8° | 120.0° |
CB | CG | CD | H10 | 57.6° | 60.0° |
CB | CG | CD | H11 | 61.5° | 60.0° |
CG | CD | NE | H10 | 120.4° | 120.0° |
CG | CD | NE | H11 | 120.4° | 120.0° |
CG | CD | NE | CZ | 175.7° | 180.0° |
CD | CG | CB | H6 | 82.6° | 60.0° |
CD | CG | CB | H7 | 36.1° | 60.0° |
CD | CG | H8 | H9 | 119.9° | 120.0° |
CG | CD | H10 | H11 | 118.8° | 120.0° |
CG | CD | NE | H12 | 4.3° | 0.0° |
O | C | CA | HA | 96.4° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
CD | NE | CZ | H12 | 180.0° | 179.9° |
CD | NE | CZ | NH2 | 179.8° | 180.0° |
CD | NE | CZ | NH1 | 0.4° | 0.1° |
NE | CD | CG | H8 | 61.9° | 60.0° |
NE | CD | CG | H9 | 58.0° | 60.0° |
NE | CD | H10 | H11 | 118.8° | 120.0° |
NE | CZ | NH2 | NH1 | 179.9° | 180.0° |
CZ | NE | CD | H10 | 55.3° | 60.0° |
CZ | NE | CD | H11 | 63.9° | 60.0° |
NE | CZ | NH1 | H13 | 179.9° | 180.0° |
NE | CZ | NH2 | H14 | 179.8° | 0.0° |
NH2 | CZ | NE | H12 | 0.3° | 0.0° |
NH2 | CZ | NH1 | H13 | 0.0° | 0.0° |
CZ | NH2 | C02 | H17 | 40.8° | 60.0° |
CZ | NH2 | C02 | H18 | 79.5° | 60.0° |
NH1 | CZ | NE | H12 | 179.6° | 180.0° |
NH1 | CZ | NH2 | H14 | 0.3° | 180.0° |
H | N | CA | HA | 61.6° | 56.0° |
H2 | N | CA | HA | 58.4° | 180.0° |
HA | CA | CB | H6 | 174.1° | 175.0° |
HA | CA | CB | H7 | 55.4° | 65.0° |
HA | CA | C | OXT | 83.5° | 40.1° |
H6 | CB | CG | H8 | 157.4° | 180.0° |
H6 | CB | CG | H9 | 37.5° | 60.0° |
H7 | CB | CG | H8 | 83.9° | 60.0° |
H7 | CB | CG | H9 | 156.2° | 180.0° |
H8 | CG | CD | H10 | 177.7° | 180.0° |
H8 | CG | CD | H11 | 58.5° | 60.0° |
H9 | CG | CD | H10 | 62.4° | 60.0° |
H9 | CG | CD | H11 | 178.4° | 180.0° |
H10 | CD | NE | H12 | 124.7° | 120.0° |
H11 | CD | NE | H12 | 116.1° | 120.0° |
H14 | NH2 | C02 | H17 | 139.2° | 120.0° |
H14 | NH2 | C02 | H18 | 100.5° | 120.0° |
H15 | C01 | C02 | H17 | 170.7° | 180.0° |
H15 | C01 | C02 | H18 | 69.0° | 60.1° |
H15 | C01 | C03 | H19 | 114.9° | 179.9° |
H15 | C01 | C03 | H20 | 125.0° | 60.0° |
H16 | C01 | C02 | H17 | 51.0° | 60.1° |
H16 | C01 | C02 | H18 | 171.3° | 180.0° |
H16 | C01 | C03 | H19 | 4.8° | 60.0° |
H16 | C01 | C03 | H20 | 115.3° | 180.0° |
H19 | C03 | O2 | H21 | 60.1° | 60.0° |
H20 | C03 | O2 | H21 | 60.1° | 60.0° |