R0K
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.48Å | |
O | C | doub | 1.21Å | 1.23Å | |
OE1 | CD | doub | 1.21Å | 1.26Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C | CA | sing | 1.51Å | 1.51Å | |
C | OXT | sing | 1.34Å | 1.23Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
C5 | N1 | sing | 1.46Å | 1.45Å | |
C5 | C6 | sing | 1.51Å | 1.51Å | |
O3 | C6 | doub | 1.21Å | 1.25Å | |
CD | N1 | sing | 1.35Å | 1.29Å | |
CD | CG | sing | 1.51Å | 1.54Å | |
CB | CG | sing | 1.53Å | 1.52Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | C1 | sing | 1.51Å | 1.51Å | |
C6 | O4 | sing | 1.34Å | 1.26Å | |
O1 | C1 | doub | 1.21Å | 1.27Å | |
C1 | O2 | sing | 1.34Å | 1.25Å | |
O2 | H1 | sing | 0.97Å | 0.95Å | |
C2 | H20 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
N1 | H9 | sing | 0.97Å | 1.00Å | |
O4 | H10 | sing | 0.97Å | 0.95Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
CB | H16 | sing | 1.09Å | 1.10Å | |
CB | H17 | sing | 1.09Å | 1.10Å | |
CG | H18 | sing | 1.09Å | 1.10Å | |
CG | H19 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | CA | C | 110.7° | 109.5° |
N | CA | CB | 112.5° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 108.7° | 109.5° |
O | C | CA | 120.2° | 120.0° |
O | C | OXT | 120.6° | 120.0° |
OE1 | CD | N1 | 124.5° | 120.0° |
OE1 | CD | CG | 119.7° | 120.0° |
C5 | C4 | C3 | 114.7° | 109.5° |
C4 | C5 | N1 | 111.9° | 109.4° |
C4 | C5 | C6 | 110.4° | 109.5° |
C4 | C5 | H4 | 108.2° | 109.5° |
C5 | C4 | H5 | 108.2° | 109.5° |
C5 | C4 | H6 | 108.1° | 109.4° |
C4 | C3 | C2 | 112.0° | 109.5° |
C3 | C4 | H5 | 108.1° | 109.5° |
C3 | C4 | H6 | 108.1° | 109.5° |
C4 | C3 | H7 | 108.8° | 109.5° |
C4 | C3 | H8 | 108.8° | 109.5° |
CA | C | OXT | 119.2° | 120.0° |
C | CA | CB | 108.6° | 109.4° |
C | CA | HA | 108.2° | 109.5° |
C | OXT | HXT | 109.5° | 117.0° |
CA | CB | CG | 113.6° | 109.4° |
CB | CA | HA | 108.0° | 109.5° |
CA | CB | H16 | 108.4° | 109.5° |
CA | CB | H17 | 108.4° | 109.5° |
N1 | C5 | C6 | 108.6° | 109.5° |
C5 | N1 | CD | 128.3° | 120.0° |
N1 | C5 | H4 | 109.2° | 109.5° |
C5 | N1 | H9 | 115.9° | 120.0° |
C5 | C6 | O3 | 115.7° | 120.0° |
C5 | C6 | O4 | 121.4° | 120.0° |
C6 | C5 | H4 | 108.5° | 109.5° |
O3 | C6 | O4 | 122.8° | 120.0° |
N1 | CD | CG | 115.5° | 120.0° |
CD | N1 | H9 | 115.9° | 120.0° |
CD | CG | CB | 115.0° | 109.5° |
CD | CG | H18 | 108.1° | 109.5° |
CD | CG | H19 | 108.1° | 109.5° |
CG | CB | H16 | 108.4° | 109.4° |
CG | CB | H17 | 108.4° | 109.5° |
CB | CG | H18 | 108.1° | 109.4° |
CB | CG | H19 | 108.0° | 109.5° |
C3 | C2 | C1 | 110.9° | 109.4° |
C3 | C2 | H20 | 109.1° | 109.4° |
C3 | C2 | H3 | 109.1° | 109.4° |
C2 | C3 | H7 | 108.8° | 109.5° |
C2 | C3 | H8 | 108.9° | 109.5° |
C2 | C1 | O1 | 119.3° | 120.0° |
C2 | C1 | O2 | 118.2° | 120.0° |
C1 | C2 | H20 | 109.1° | 109.5° |
C1 | C2 | H3 | 109.1° | 109.5° |
C6 | O4 | H10 | 109.5° | 117.0° |
O1 | C1 | O2 | 122.5° | 120.0° |
C1 | O2 | H1 | 109.5° | 117.0° |
H20 | C2 | H3 | 109.5° | 109.5° |
H5 | C4 | H6 | 109.5° | 109.5° |
H7 | C3 | H8 | 109.5° | 109.4° |
H | N | H2 | 109.5° | 111.0° |
H16 | CB | H17 | 109.5° | 109.5° |
H18 | CG | H19 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | CA | C | O | 35.8° | 20.0° |
N | CA | C | CB | 124.0° | 120.0° |
N | CA | C | HA | 119.1° | 120.0° |
N | CA | C | OXT | 143.7° | 160.0° |
N | CA | CB | HA | 119.9° | 120.1° |
N | CA | CB | CG | 76.2° | 65.0° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | CB | H16 | 44.4° | 54.9° |
N | CA | CB | H17 | 163.2° | 175.0° |
O | C | CA | OXT | 179.6° | 180.0° |
O | C | CA | CB | 88.1° | 100.0° |
O | C | CA | HA | 154.9° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
OE1 | CD | N1 | C5 | 1.7° | 0.0° |
OE1 | CD | N1 | CG | 173.8° | 180.0° |
OE1 | CD | CG | CB | 16.1° | 0.0° |
OE1 | CD | N1 | H9 | 178.3° | 180.0° |
OE1 | CD | CG | H18 | 104.7° | 120.0° |
OE1 | CD | CG | H19 | 136.9° | 120.0° |
C5 | C4 | C3 | H5 | 120.8° | 120.0° |
C5 | C4 | C3 | H6 | 120.8° | 120.0° |
C4 | C5 | N1 | C6 | 122.1° | 120.0° |
C4 | C5 | N1 | H4 | 119.8° | 120.0° |
C4 | C5 | C6 | H4 | 118.4° | 120.0° |
C4 | C5 | C6 | O3 | 75.2° | 120.0° |
C4 | C5 | N1 | CD | 91.1° | 155.0° |
C5 | C4 | C3 | C2 | 171.8° | 180.0° |
C4 | C5 | C6 | O4 | 104.8° | 60.0° |
C5 | C4 | H5 | H6 | 117.6° | 120.0° |
C5 | C4 | C3 | H7 | 51.4° | 60.0° |
C5 | C4 | C3 | H8 | 67.8° | 60.0° |
C4 | C5 | N1 | H9 | 88.9° | 25.0° |
C3 | C4 | C5 | N1 | 83.2° | 65.0° |
C3 | C4 | C5 | C6 | 37.9° | 175.0° |
C4 | C3 | C2 | H7 | 120.4° | 120.0° |
C4 | C3 | C2 | H8 | 120.4° | 120.0° |
C4 | C3 | C2 | C1 | 168.4° | 180.0° |
C4 | C3 | C2 | H20 | 48.2° | 60.0° |
C4 | C3 | C2 | H3 | 71.3° | 60.0° |
C3 | C4 | C5 | H4 | 156.5° | 55.0° |
C3 | C4 | H5 | H6 | 117.6° | 120.0° |
C4 | C3 | H7 | H8 | 118.8° | 120.0° |
C | CA | CB | HA | 117.1° | 120.0° |
C | CA | CB | CG | 160.9° | 175.0° |
C | CA | N | H | 180.0° | 64.0° |
C | CA | N | H2 | 60.0° | 60.0° |
CA | C | OXT | HXT | 179.6° | 180.0° |
C | CA | CB | H16 | 78.5° | 65.1° |
C | CA | CB | H17 | 40.3° | 55.0° |
OXT | C | CA | CB | 92.3° | 80.0° |
OXT | C | CA | HA | 24.7° | 40.0° |
CA | CB | CG | CD | 82.8° | 180.0° |
CA | CB | CG | H16 | 120.6° | 120.0° |
CA | CB | CG | H17 | 120.6° | 120.0° |
CB | CA | N | H | 58.3° | 176.1° |
CB | CA | N | H2 | 178.3° | 60.0° |
CA | CB | H16 | H17 | 118.1° | 120.1° |
CA | CB | CG | H18 | 38.0° | 60.0° |
CA | CB | CG | H19 | 156.4° | 60.0° |
N1 | C5 | C6 | H4 | 118.6° | 120.0° |
N1 | C5 | C6 | O3 | 161.8° | 0.0° |
C5 | N1 | CD | H9 | 180.0° | 180.0° |
C5 | N1 | CD | CG | 172.1° | 180.0° |
N1 | C5 | C6 | O4 | 18.2° | 180.0° |
N1 | C5 | C4 | H5 | 156.1° | 55.0° |
N1 | C5 | C4 | H6 | 37.6° | 175.0° |
C5 | C6 | O3 | O4 | 180.0° | 180.0° |
C6 | C5 | N1 | CD | 146.8° | 85.0° |
C6 | C5 | C4 | H5 | 82.9° | 65.0° |
C6 | C5 | C4 | H6 | 158.7° | 55.0° |
C6 | C5 | N1 | H9 | 33.2° | 95.0° |
C5 | C6 | O4 | H10 | 180.0° | 180.0° |
O3 | C6 | C5 | H4 | 43.2° | 120.0° |
O3 | C6 | O4 | H10 | 0.0° | 0.0° |
N1 | CD | CG | CB | 169.8° | 180.0° |
CD | N1 | C5 | H4 | 28.7° | 35.0° |
N1 | CD | CG | H18 | 69.4° | 60.0° |
N1 | CD | CG | H19 | 49.0° | 60.0° |
CD | CG | CB | H18 | 120.8° | 120.0° |
CD | CG | CB | H19 | 120.8° | 120.1° |
CG | CD | N1 | H9 | 7.9° | 0.0° |
CD | CG | CB | H16 | 37.8° | 60.0° |
CD | CG | CB | H17 | 156.7° | 60.0° |
CD | CG | H18 | H19 | 117.5° | 120.0° |
CG | CB | CA | HA | 43.8° | 55.1° |
CG | CB | H16 | H17 | 118.2° | 120.0° |
CB | CG | H18 | H19 | 117.5° | 119.9° |
C3 | C2 | C1 | H20 | 120.2° | 120.0° |
C3 | C2 | C1 | H3 | 120.2° | 120.0° |
C3 | C2 | C1 | O1 | 132.1° | 0.2° |
C3 | C2 | C1 | O2 | 47.0° | 180.0° |
C3 | C2 | H20 | H3 | 119.3° | 120.0° |
C2 | C3 | C4 | H5 | 67.4° | 60.0° |
C2 | C3 | C4 | H6 | 51.0° | 60.0° |
C2 | C3 | H7 | H8 | 118.9° | 120.0° |
C2 | C1 | O1 | O2 | 179.1° | 179.8° |
C2 | C1 | O2 | H1 | 179.1° | 179.7° |
C1 | C2 | H20 | H3 | 119.4° | 120.1° |
C1 | C2 | C3 | H7 | 71.2° | 60.0° |
C1 | C2 | C3 | H8 | 48.1° | 60.0° |
O4 | C6 | C5 | H4 | 136.8° | 60.0° |
O1 | C1 | O2 | H1 | 0.0° | 0.0° |
O1 | C1 | C2 | H20 | 11.9° | 120.2° |
O1 | C1 | C2 | H3 | 107.7° | 119.7° |
O2 | C1 | C2 | H20 | 167.2° | 60.0° |
O2 | C1 | C2 | H3 | 73.2° | 60.1° |
H20 | C2 | C3 | H7 | 168.6° | 180.0° |
H20 | C2 | C3 | H8 | 72.2° | 60.0° |
H3 | C2 | C3 | H7 | 49.0° | 60.0° |
H3 | C2 | C3 | H8 | 168.3° | 180.0° |
H4 | C5 | C4 | H5 | 35.7° | 175.0° |
H4 | C5 | C4 | H6 | 82.8° | 65.0° |
H4 | C5 | N1 | H9 | 151.3° | 144.9° |
H5 | C4 | C3 | H7 | 172.2° | 60.0° |
H5 | C4 | C3 | H8 | 53.0° | 180.0° |
H6 | C4 | C3 | H7 | 69.3° | 180.0° |
H6 | C4 | C3 | H8 | 171.4° | 60.0° |
H | N | CA | HA | 61.2° | 56.0° |
H2 | N | CA | HA | 58.8° | 180.0° |
HA | CA | CB | H16 | 164.4° | 175.0° |
HA | CA | CB | H17 | 76.8° | 64.9° |
H16 | CB | CG | H18 | 158.6° | 180.0° |
H16 | CB | CG | H19 | 83.0° | 60.0° |
H17 | CB | CG | H18 | 82.5° | 60.0° |
H17 | CB | CG | H19 | 35.9° | 180.0° |