6BR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.23Å | |
CG2 | CB | sing | 1.53Å | 1.52Å | |
C | CA | sing | 1.51Å | 1.51Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | N | sing | 1.47Å | 1.47Å | |
CB | OG1 | sing | 1.43Å | 1.43Å | |
OG1 | V | sing | 1.84Å | 1.86Å | |
O4 | V | sing | 1.78Å | 1.83Å | |
O3 | V | sing | 1.78Å | 1.83Å | |
V | O2 | sing | 1.78Å | 1.84Å | |
V | O1 | doub | 1.78Å | 1.84Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | H5 | sing | 1.09Å | 1.10Å | |
CG2 | H10 | sing | 1.09Å | 1.10Å | |
CG2 | H11 | sing | 1.09Å | 1.10Å | |
CG2 | H12 | 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) |
O | C | CA | 120.1° | 120.0° |
O | C | OXT | 122.9° | 120.0° |
CG2 | CB | CA | 111.4° | 109.5° |
CG2 | CB | OG1 | 107.8° | 109.5° |
CG2 | CB | H5 | 109.6° | 109.5° |
CB | CG2 | H10 | 109.5° | 109.4° |
CB | CG2 | H11 | 109.5° | 109.5° |
CB | CG2 | H12 | 109.5° | 109.5° |
C | CA | CB | 112.5° | 109.5° |
C | CA | N | 112.8° | 109.5° |
C | CA | HA | 107.6° | 109.5° |
CA | C | OXT | 117.0° | 120.0° |
CB | CA | N | 108.2° | 109.4° |
CA | CB | OG1 | 107.9° | 109.5° |
CB | CA | HA | 107.3° | 109.5° |
CA | CB | H5 | 109.3° | 109.4° |
CA | N | H | 109.5° | 110.9° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 108.2° | 109.5° |
CB | OG1 | V | 117.5° | 114.0° |
OG1 | CB | H5 | 110.8° | 109.5° |
OG1 | V | O4 | 91.4° | 90.0° |
OG1 | V | O3 | 86.9° | 90.0° |
OG1 | V | O2 | 92.1° | 90.0° |
OG1 | V | O1 | 179.4° | 180.0° |
O4 | V | O3 | 120.2° | 120.0° |
O4 | V | O2 | 120.1° | 120.0° |
O4 | V | O1 | 89.1° | 90.0° |
O3 | V | O2 | 119.7° | 120.0° |
O3 | V | O1 | 92.5° | 90.0° |
O2 | V | O1 | 88.1° | 90.0° |
H | N | H2 | 109.4° | 111.0° |
H10 | CG2 | H11 | 109.5° | 109.5° |
H10 | CG2 | H12 | 109.4° | 109.5° |
H11 | CG2 | H12 | 109.4° | 109.5° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 179.3° | 179.9° |
O | C | CA | CB | 120.4° | 100.0° |
O | C | CA | N | 116.9° | 20.0° |
O | C | CA | HA | 2.4° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
CG2 | CB | CA | C | 51.8° | 175.0° |
CG2 | CB | CA | OG1 | 118.2° | 120.0° |
CG2 | CB | CA | H5 | 121.2° | 120.0° |
CG2 | CB | CA | N | 177.1° | 55.0° |
CG2 | CB | OG1 | H5 | 119.9° | 120.0° |
CG2 | CB | OG1 | V | 118.7° | 90.0° |
CG2 | CB | CA | HA | 66.4° | 64.9° |
CB | CG2 | H10 | H11 | 120.0° | 120.0° |
CB | CG2 | H10 | H12 | 120.0° | 119.9° |
CB | CG2 | H11 | H12 | 120.0° | 120.0° |
C | CA | CB | N | 125.3° | 120.0° |
C | CA | CB | HA | 118.1° | 120.0° |
C | CA | N | HA | 118.9° | 120.0° |
C | CA | CB | OG1 | 170.0° | 55.0° |
C | CA | N | H | 180.0° | 63.9° |
C | CA | N | H2 | 60.0° | 60.0° |
C | CA | CB | H5 | 69.4° | 65.0° |
CA | C | OXT | HXT | 179.3° | 180.0° |
CB | CA | N | HA | 115.9° | 120.0° |
CA | CB | OG1 | H5 | 119.6° | 120.0° |
CA | CB | OG1 | V | 120.8° | 150.0° |
CB | CA | N | H | 54.9° | 176.1° |
CB | CA | N | H2 | 174.9° | 60.0° |
CA | CB | CG2 | H10 | 180.0° | 180.0° |
CA | CB | CG2 | H11 | 60.0° | 60.0° |
CA | CB | CG2 | H12 | 60.0° | 60.1° |
CB | CA | C | OXT | 60.3° | 80.0° |
N | CA | CB | OG1 | 64.7° | 65.0° |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | CB | H5 | 55.9° | 175.0° |
N | CA | C | OXT | 62.5° | 160.0° |
CB | OG1 | V | O4 | 61.1° | 180.0° |
CB | OG1 | V | O3 | 178.8° | 60.0° |
CB | OG1 | V | O2 | 59.2° | 60.0° |
CB | OG1 | V | O1 | 169.2° | 145.4° |
OG1 | CB | CA | HA | 51.8° | 175.0° |
OG1 | CB | CG2 | H10 | 61.7° | 59.9° |
OG1 | CB | CG2 | H11 | 178.2° | 180.0° |
OG1 | CB | CG2 | H12 | 58.3° | 60.0° |
OG1 | V | O4 | O3 | 87.2° | 90.0° |
OG1 | V | O4 | O2 | 93.2° | 90.0° |
OG1 | V | O4 | O1 | 179.5° | 180.0° |
OG1 | V | O3 | O2 | 90.6° | 90.0° |
OG1 | V | O3 | O1 | 179.9° | 180.0° |
OG1 | V | O2 | O1 | 179.4° | 180.0° |
V | OG1 | CB | H5 | 1.2° | 30.0° |
O4 | V | O3 | O2 | 179.6° | 180.0° |
O4 | V | O3 | O1 | 90.3° | 90.0° |
O4 | V | O2 | O1 | 87.8° | 90.0° |
O3 | V | O2 | O1 | 91.8° | 90.0° |
H | N | CA | HA | 61.0° | 56.1° |
H2 | N | CA | HA | 59.0° | 180.0° |
HA | CA | CB | H5 | 172.4° | 55.0° |
HA | CA | C | OXT | 178.3° | 40.0° |
H5 | CB | CG2 | H10 | 59.0° | 60.1° |
H5 | CB | CG2 | H11 | 61.0° | 60.0° |
H5 | CB | CG2 | H12 | 179.0° | 180.0° |
H10 | CG2 | H11 | H12 | 120.0° | 120.0° |