CAB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.22Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | C1 | sing | 1.51Å | 1.50Å | |
C2 | O4 | sing | 1.43Å | 1.43Å | |
C2 | O5 | sing | 1.43Å | 1.43Å | |
C3 | C2 | sing | 1.53Å | 1.51Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
CA | C3 | sing | 1.53Å | 1.51Å | |
CA | H4 | sing | 1.09Å | 1.10Å | |
N | CA | sing | 1.47Å | 1.47Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
O | C | doub | 1.21Å | 1.33Å | |
C | CA | sing | 1.51Å | 1.50Å | |
C | OXT | sing | 1.34Å | 1.22Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
O4 | H8 | sing | 0.97Å | 0.95Å | |
O5 | H9 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | H1 | 119.3° | 120.0° |
O1 | C1 | C2 | 121.4° | 120.0° |
H1 | C1 | C2 | 119.2° | 120.0° |
C1 | C2 | O4 | 109.0° | 109.5° |
C1 | C2 | O5 | 108.3° | 109.5° |
C1 | C2 | C3 | 111.4° | 109.5° |
O4 | C2 | O5 | 110.8° | 109.4° |
O4 | C2 | C3 | 109.0° | 109.5° |
C2 | O4 | H8 | 109.5° | 113.9° |
O5 | C2 | C3 | 108.4° | 109.4° |
C2 | O5 | H9 | 109.5° | 114.0° |
C2 | C3 | H3 | 108.2° | 109.5° |
C2 | C3 | H3A | 108.2° | 109.4° |
C2 | C3 | CA | 113.4° | 109.5° |
H3 | C3 | H3A | 110.7° | 109.5° |
H3 | C3 | CA | 108.2° | 109.5° |
H3A | C3 | CA | 108.2° | 109.4° |
C3 | CA | H4 | 106.0° | 109.4° |
C3 | CA | N | 124.3° | 109.4° |
C3 | CA | C | 100.7° | 109.5° |
H4 | CA | N | 96.3° | 109.5° |
H4 | CA | C | 121.7° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | C | 109.6° | 109.5° |
H | N | H2 | 109.4° | 111.1° |
O | C | CA | 116.9° | 120.0° |
O | C | OXT | 121.4° | 120.0° |
CA | C | OXT | 121.6° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | H1 | C2 | 180.0° | 179.7° |
O1 | C1 | C2 | O4 | 68.8° | 0.0° |
O1 | C1 | C2 | O5 | 170.6° | 120.0° |
O1 | C1 | C2 | C3 | 51.5° | 120.0° |
H1 | C1 | C2 | O4 | 111.2° | 179.7° |
H1 | C1 | C2 | O5 | 9.4° | 59.7° |
H1 | C1 | C2 | C3 | 128.5° | 60.3° |
C1 | C2 | O4 | O5 | 119.1° | 120.0° |
C1 | C2 | O4 | C3 | 121.7° | 120.0° |
C1 | C2 | O5 | C3 | 121.0° | 120.1° |
C1 | C2 | C3 | H3 | 78.6° | 53.9° |
C1 | C2 | C3 | H3A | 41.4° | 66.1° |
C1 | C2 | C3 | CA | 161.4° | 173.9° |
C1 | C2 | O4 | H8 | 24.3° | 60.0° |
C1 | C2 | O5 | H9 | 180.0° | 60.0° |
O4 | C2 | O5 | C3 | 119.5° | 119.9° |
O4 | C2 | C3 | H3 | 41.6° | 173.9° |
O4 | C2 | C3 | H3A | 161.6° | 54.0° |
O4 | C2 | C3 | CA | 78.4° | 66.0° |
O4 | C2 | O5 | H9 | 60.5° | 180.0° |
O5 | C2 | C3 | H3 | 162.3° | 66.1° |
O5 | C2 | C3 | H3A | 77.7° | 173.9° |
O5 | C2 | C3 | CA | 42.3° | 53.9° |
O5 | C2 | O4 | H8 | 143.4° | 180.0° |
C2 | C3 | H3 | H3A | 118.4° | 120.0° |
C2 | C3 | H3 | CA | 123.2° | 120.1° |
C2 | C3 | H3A | CA | 123.2° | 120.0° |
C2 | C3 | CA | H4 | 11.9° | 54.4° |
C2 | C3 | CA | N | 97.6° | 65.5° |
C2 | C3 | CA | C | 139.6° | 174.4° |
C3 | C2 | O4 | H8 | 97.4° | 60.1° |
C3 | C2 | O5 | H9 | 59.0° | 60.1° |
H3 | C3 | H3A | CA | 118.4° | 120.0° |
H3 | C3 | CA | H4 | 108.1° | 65.6° |
H3 | C3 | CA | N | 142.4° | 174.4° |
H3 | C3 | CA | C | 19.6° | 54.4° |
H3A | C3 | CA | H4 | 132.0° | 174.4° |
H3A | C3 | CA | N | 22.4° | 54.4° |
H3A | C3 | CA | C | 100.4° | 65.6° |
C3 | CA | H4 | N | 128.4° | 119.9° |
C3 | CA | H4 | C | 113.8° | 120.0° |
C3 | CA | N | C | 118.8° | 120.0° |
C3 | CA | N | H | 180.0° | 52.4° |
C3 | CA | N | H2 | 60.0° | 71.6° |
C3 | CA | C | O | 128.2° | 100.0° |
C3 | CA | C | OXT | 53.4° | 80.0° |
H4 | CA | N | C | 126.9° | 120.1° |
H4 | CA | N | H | 65.7° | 172.3° |
H4 | CA | N | H2 | 174.3° | 48.3° |
H4 | CA | C | O | 11.7° | 140.0° |
H4 | CA | C | OXT | 169.9° | 40.0° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | C | O | 99.2° | 20.0° |
N | CA | C | OXT | 79.1° | 160.1° |
H | N | CA | C | 61.2° | 67.6° |
H2 | N | CA | C | 58.7° | 168.3° |
O | C | CA | OXT | 178.4° | 180.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
CA | C | OXT | HXT | 178.3° | 180.0° |