2V0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAJ | sing | 1.51Å | 1.39Å | |
OAE | CAK | doub | 1.22Å | 1.25Å | |
CAJ | CAG | sing | 1.50Å | 1.38Å | |
CAJ | CAM | doub | 1.31Å | 1.40Å | |
OAC | CAK | sing | 1.35Å | 1.25Å | |
CAK | CAM | sing | 1.48Å | 1.39Å | |
CAG | SAI | sing | 1.82Å | 1.83Å | |
CAM | NAH | sing | 1.39Å | 1.34Å | |
NAH | CB | sing | 1.47Å | 1.49Å | |
SAI | CB | sing | 1.82Å | 1.77Å | |
CB | CA | sing | 1.53Å | 1.54Å | |
O | C | doub | 1.21Å | 1.25Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | N | sing | 1.47Å | 1.47Å | |
C | OXT | sing | 1.34Å | 1.25Å | |
OXT | H1 | sing | 0.97Å | 0.95Å | |
CA | H2 | sing | 1.09Å | 1.10Å | |
N | H3 | sing | 1.01Å | 1.00Å | |
N | H4 | sing | 1.01Å | 1.00Å | |
CB | H6 | sing | 1.09Å | 1.10Å | |
NAH | H7 | sing | 0.97Å | 1.00Å | |
CAG | H9 | sing | 1.09Å | 1.10Å | |
CAG | H10 | sing | 1.09Å | 1.10Å | |
CAA | H12 | sing | 1.09Å | 1.10Å | |
CAA | H13 | sing | 1.09Å | 1.10Å | |
CAA | H14 | sing | 1.09Å | 1.10Å | |
OAC | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | CAJ | CAG | 117.4° | 117.2° |
CAA | CAJ | CAM | 118.8° | 117.1° |
CAJ | CAA | H12 | 109.5° | 109.4° |
CAJ | CAA | H13 | 109.4° | 109.4° |
CAJ | CAA | H14 | 109.5° | 109.5° |
OAE | CAK | OAC | 119.9° | 120.0° |
OAE | CAK | CAM | 119.8° | 120.0° |
CAG | CAJ | CAM | 123.0° | 125.7° |
CAJ | CAG | SAI | 109.6° | 109.4° |
CAJ | CAG | H9 | 109.4° | 109.5° |
CAJ | CAG | H10 | 109.4° | 109.5° |
CAJ | CAM | CAK | 118.8° | 116.4° |
CAJ | CAM | NAH | 122.3° | 127.2° |
OAC | CAK | CAM | 120.1° | 120.0° |
CAK | OAC | H16 | 109.5° | 117.0° |
CAK | CAM | NAH | 116.5° | 116.4° |
CAG | SAI | CB | 95.7° | 101.2° |
SAI | CAG | H9 | 109.4° | 109.5° |
SAI | CAG | H10 | 109.4° | 109.5° |
CAM | NAH | CB | 122.9° | 120.9° |
CAM | NAH | H7 | 106.0° | 119.5° |
NAH | CB | SAI | 107.3° | 107.2° |
NAH | CB | CA | 105.8° | 109.9° |
NAH | CB | H6 | 108.0° | 109.9° |
CB | NAH | H7 | 106.0° | 119.5° |
SAI | CB | CA | 122.7° | 109.9° |
SAI | CB | H6 | 105.1° | 109.9° |
CB | CA | C | 112.7° | 109.5° |
CB | CA | N | 109.9° | 109.5° |
CB | CA | H2 | 108.2° | 109.5° |
CA | CB | H6 | 107.3° | 109.9° |
O | C | CA | 117.8° | 120.0° |
O | C | OXT | 125.7° | 120.0° |
C | CA | N | 108.5° | 109.5° |
CA | C | OXT | 116.4° | 120.0° |
C | CA | H2 | 108.3° | 109.5° |
N | CA | H2 | 109.1° | 109.4° |
CA | N | H3 | 109.5° | 111.0° |
CA | N | H4 | 109.5° | 111.0° |
C | OXT | H1 | 109.5° | 117.0° |
H3 | N | H4 | 109.5° | 111.0° |
H9 | CAG | H10 | 109.5° | 109.5° |
H12 | CAA | H13 | 109.5° | 109.4° |
H12 | CAA | H14 | 109.4° | 109.5° |
H13 | CAA | H14 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | CAJ | CAG | CAM | 169.6° | 179.9° |
CAA | CAJ | CAM | CAK | 11.0° | 0.8° |
CAA | CAJ | CAG | SAI | 148.1° | 158.7° |
CAA | CAJ | CAM | NAH | 172.8° | 179.1° |
CAA | CAJ | CAG | H9 | 28.1° | 81.3° |
CAA | CAJ | CAG | H10 | 91.8° | 38.8° |
CAJ | CAA | H12 | H13 | 120.0° | 119.9° |
CAJ | CAA | H12 | H14 | 120.0° | 120.0° |
CAJ | CAA | H13 | H14 | 120.0° | 120.0° |
OAE | CAK | CAM | CAJ | 113.3° | 5.8° |
OAE | CAK | OAC | CAM | 175.9° | 180.0° |
OAE | CAK | CAM | NAH | 83.9° | 174.3° |
OAE | CAK | OAC | H16 | 0.0° | 0.0° |
CAG | CAJ | CAM | CAK | 179.5° | 179.1° |
CAJ | CAG | SAI | H9 | 120.0° | 120.0° |
CAJ | CAG | SAI | H10 | 120.0° | 120.0° |
CAG | CAJ | CAM | NAH | 17.7° | 1.0° |
CAJ | CAG | SAI | CB | 59.3° | 45.2° |
CAJ | CAG | H9 | H10 | 119.9° | 120.1° |
CAG | CAJ | CAA | H12 | 180.0° | 0.1° |
CAG | CAJ | CAA | H13 | 60.0° | 120.0° |
CAG | CAJ | CAA | H14 | 60.0° | 120.0° |
CAJ | CAM | CAK | OAC | 70.9° | 174.2° |
CAJ | CAM | CAK | NAH | 162.8° | 179.9° |
CAM | CAJ | CAG | SAI | 42.2° | 21.4° |
CAJ | CAM | NAH | CB | 19.1° | 14.8° |
CAJ | CAM | NAH | H7 | 141.0° | 165.1° |
CAM | CAJ | CAG | H9 | 162.2° | 98.6° |
CAM | CAJ | CAG | H10 | 77.8° | 141.4° |
CAM | CAJ | CAA | H12 | 9.9° | 179.9° |
CAM | CAJ | CAA | H13 | 110.1° | 60.1° |
CAM | CAJ | CAA | H14 | 129.9° | 59.9° |
OAC | CAK | CAM | NAH | 92.0° | 5.7° |
CAK | CAM | NAH | CB | 178.7° | 165.3° |
CAK | CAM | NAH | H7 | 56.9° | 14.8° |
CAM | CAK | OAC | H16 | 175.9° | 179.9° |
CAG | SAI | CB | NAH | 58.7° | 56.2° |
CAG | SAI | CB | CA | 178.6° | 175.7° |
CAG | SAI | CB | H6 | 56.1° | 63.2° |
SAI | CAG | H9 | H10 | 119.9° | 120.0° |
CAM | NAH | CB | H7 | 121.8° | 180.0° |
CAM | NAH | CB | SAI | 46.0° | 44.7° |
CAM | NAH | CB | CA | 178.5° | 164.1° |
CAM | NAH | CB | H6 | 66.8° | 74.7° |
NAH | CB | SAI | CA | 122.7° | 119.5° |
NAH | CB | SAI | H6 | 114.8° | 119.5° |
NAH | CB | CA | H6 | 115.1° | 121.1° |
NAH | CB | CA | C | 57.9° | 176.1° |
NAH | CB | CA | N | 63.3° | 56.1° |
NAH | CB | CA | H2 | 177.6° | 63.9° |
SAI | CB | CA | H6 | 121.5° | 121.1° |
SAI | CB | CA | C | 178.8° | 66.1° |
SAI | CB | CA | N | 60.0° | 173.9° |
SAI | CB | CA | H2 | 59.0° | 53.9° |
SAI | CB | NAH | H7 | 167.8° | 135.3° |
CB | SAI | CAG | H9 | 179.3° | 74.9° |
CB | SAI | CAG | H10 | 60.8° | 165.1° |
CB | CA | C | O | 61.4° | 99.9° |
CB | CA | C | N | 122.0° | 120.0° |
CB | CA | C | H2 | 119.6° | 120.1° |
CB | CA | N | H2 | 118.5° | 120.0° |
CB | CA | C | OXT | 120.8° | 80.3° |
CB | CA | N | H3 | 180.0° | 176.1° |
CB | CA | N | H4 | 60.0° | 60.0° |
CA | CB | NAH | H7 | 59.6° | 15.8° |
O | C | CA | OXT | 177.9° | 179.8° |
O | C | CA | N | 176.6° | 20.0° |
O | C | OXT | H1 | 0.0° | 0.0° |
O | C | CA | H2 | 58.3° | 140.0° |
C | CA | N | H2 | 117.8° | 120.0° |
CA | C | OXT | H1 | 177.7° | 179.7° |
C | CA | N | H3 | 56.3° | 63.9° |
C | CA | N | H4 | 63.7° | 60.0° |
C | CA | CB | H6 | 57.2° | 54.9° |
N | CA | C | OXT | 1.2° | 159.7° |
CA | N | H3 | H4 | 120.0° | 123.9° |
N | CA | CB | H6 | 178.5° | 65.0° |
OXT | C | CA | H2 | 119.6° | 39.8° |
H2 | CA | N | H3 | 61.5° | 56.1° |
H2 | CA | N | H4 | 178.5° | 180.0° |
H2 | CA | CB | H6 | 62.5° | 175.0° |
H6 | CB | NAH | H7 | 55.0° | 105.3° |
H12 | CAA | H13 | H14 | 120.0° | 120.0° |