3R9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAM | CAF | sing | 1.54Å | 1.50Å | |
CAM | SAH | sing | 1.83Å | 1.78Å | |
CAM | N | sing | 1.47Å | 1.52Å | |
CAF | SAG | sing | 1.84Å | 1.80Å | |
SAC | CAD | sing | 1.81Å | 1.83Å | |
SAH | CB | sing | 1.84Å | 1.79Å | |
CAD | CAJ | sing | 1.53Å | 1.49Å | |
N | CAJ | sing | 1.49Å | 1.47Å | |
N | CA | sing | 1.47Å | 1.50Å | |
CAJ | SAG | sing | 1.84Å | 1.77Å | |
OXT | C | doub | 1.21Å | 1.27Å | |
CB | CA | sing | 1.55Å | 1.56Å | |
CA | C | sing | 1.51Å | 1.58Å | |
C | O | sing | 1.34Å | 1.23Å | |
O | H1 | sing | 0.97Å | 0.95Å | |
CA | H3 | sing | 1.09Å | 1.10Å | |
CB | H4 | sing | 1.09Å | 1.10Å | |
CB | H5 | sing | 1.09Å | 1.10Å | |
CAM | H6 | sing | 1.09Å | 1.10Å | |
CAF | H7 | sing | 1.09Å | 1.10Å | |
CAF | H8 | sing | 1.09Å | 1.10Å | |
CAJ | H9 | sing | 1.09Å | 1.10Å | |
CAD | H10 | sing | 1.09Å | 1.10Å | |
CAD | H11 | sing | 1.09Å | 1.10Å | |
SAC | H12 | sing | 1.34Å | 1.30Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAF | CAM | SAH | 107.4° | 109.6° |
CAF | CAM | N | 111.1° | 113.4° |
CAM | CAF | SAG | 98.2° | 100.7° |
CAF | CAM | H6 | 112.4° | 109.6° |
CAM | CAF | H7 | 112.2° | 111.2° |
CAM | CAF | H8 | 112.2° | 111.1° |
SAH | CAM | N | 104.6° | 105.7° |
CAM | SAH | CB | 100.1° | 94.5° |
SAH | CAM | H6 | 108.7° | 109.5° |
CAM | N | CAJ | 110.5° | 114.3° |
CAM | N | CA | 115.5° | 114.4° |
N | CAM | H6 | 112.2° | 108.9° |
CAF | SAG | CAJ | 94.5° | 94.0° |
SAG | CAF | H7 | 112.2° | 111.2° |
SAG | CAF | H8 | 112.2° | 111.2° |
SAC | CAD | CAJ | 106.5° | 109.5° |
SAC | CAD | H10 | 110.2° | 109.5° |
SAC | CAD | H11 | 110.2° | 109.5° |
CAD | SAC | H12 | 102.0° | 103.0° |
SAH | CB | CA | 105.1° | 99.9° |
SAH | CB | H4 | 110.6° | 111.3° |
SAH | CB | H5 | 110.6° | 111.4° |
CAD | CAJ | N | 112.2° | 110.6° |
CAD | CAJ | SAG | 113.7° | 110.6° |
CAD | CAJ | H9 | 112.9° | 110.7° |
CAJ | CAD | H10 | 110.2° | 109.5° |
CAJ | CAD | H11 | 110.2° | 109.4° |
CAJ | N | CA | 106.7° | 108.3° |
N | CAJ | SAG | 94.2° | 103.6° |
N | CAJ | H9 | 113.2° | 110.6° |
N | CA | CB | 111.8° | 110.2° |
N | CA | C | 110.3° | 109.4° |
N | CA | H3 | 107.4° | 109.3° |
SAG | CAJ | H9 | 109.2° | 110.6° |
OXT | C | CA | 120.5° | 119.9° |
OXT | C | O | 124.6° | 120.1° |
CB | CA | C | 113.7° | 109.3° |
CB | CA | H3 | 106.7° | 109.3° |
CA | CB | H4 | 110.6° | 111.3° |
CA | CB | H5 | 110.5° | 111.3° |
CA | C | O | 114.8° | 120.0° |
C | CA | H3 | 106.5° | 109.3° |
C | O | H1 | 109.5° | 117.0° |
H4 | CB | H5 | 109.5° | 111.2° |
H7 | CAF | H8 | 109.5° | 111.1° |
H10 | CAD | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAF | CAM | SAH | N | 118.1° | 122.5° |
CAF | CAM | SAH | H6 | 121.9° | 120.3° |
CAF | CAM | N | H6 | 126.7° | 122.3° |
CAM | CAF | SAG | H7 | 118.1° | 117.9° |
CAM | CAF | SAG | H8 | 118.1° | 117.8° |
CAF | CAM | SAH | CB | 101.8° | 143.3° |
CAF | CAM | N | CAJ | 20.3° | 6.0° |
CAF | CAM | N | CA | 100.9° | 119.7° |
CAM | CAF | SAG | CAJ | 41.7° | 34.0° |
CAM | CAF | H7 | H8 | 125.2° | 124.3° |
SAH | CAM | N | H6 | 117.7° | 117.6° |
SAH | CAM | CAF | SAG | 96.2° | 145.9° |
SAH | CAM | N | CAJ | 135.9° | 126.1° |
SAH | CAM | N | CA | 14.7° | 0.4° |
CAM | SAH | CB | CA | 13.5° | 33.6° |
CAM | SAH | CB | H4 | 132.8° | 151.2° |
CAM | SAH | CB | H5 | 105.8° | 84.1° |
SAH | CAM | CAF | H7 | 22.0° | 28.1° |
SAH | CAM | CAF | H8 | 145.7° | 96.2° |
N | CAM | CAF | SAG | 17.7° | 28.1° |
N | CAM | SAH | CB | 16.4° | 20.8° |
CAM | N | CAJ | CAD | 70.9° | 138.2° |
CAM | N | CAJ | CA | 126.3° | 128.8° |
CAM | N | CAJ | SAG | 46.9° | 19.7° |
CAM | N | CA | CB | 5.6° | 27.3° |
CAM | N | CA | C | 133.2° | 147.5° |
CAM | N | CA | H3 | 111.1° | 92.8° |
N | CAM | CAF | H7 | 135.8° | 89.8° |
N | CAM | CAF | H8 | 100.5° | 145.9° |
CAM | N | CAJ | H9 | 159.8° | 98.8° |
CAF | SAG | CAJ | CAD | 64.6° | 150.4° |
CAF | SAG | CAJ | N | 51.9° | 31.9° |
SAG | CAF | CAM | H6 | 144.2° | 93.8° |
SAG | CAF | H7 | H8 | 125.3° | 124.4° |
CAF | SAG | CAJ | H9 | 168.3° | 86.7° |
SAC | CAD | CAJ | H10 | 119.5° | 120.0° |
SAC | CAD | CAJ | H11 | 119.5° | 120.0° |
SAC | CAD | CAJ | N | 42.9° | 54.8° |
SAC | CAD | CAJ | SAG | 148.4° | 59.4° |
SAC | CAD | CAJ | H9 | 86.5° | 177.7° |
SAC | CAD | H10 | H11 | 121.3° | 120.0° |
SAH | CB | CA | N | 6.3° | 39.0° |
SAH | CB | CA | H4 | 119.3° | 117.6° |
SAH | CB | CA | H5 | 119.3° | 117.8° |
SAH | CB | CA | C | 119.4° | 159.3° |
SAH | CB | CA | H3 | 123.5° | 81.1° |
SAH | CB | H4 | H5 | 122.0° | 124.8° |
CB | SAH | CAM | H6 | 136.4° | 96.4° |
CAD | CAJ | N | SAG | 117.8° | 118.5° |
CAD | CAJ | N | H9 | 129.2° | 123.0° |
CAD | CAJ | N | CA | 162.8° | 93.0° |
CAD | CAJ | SAG | H9 | 127.1° | 123.0° |
CAJ | CAD | H10 | H11 | 121.4° | 120.0° |
CAJ | CAD | SAC | H12 | 180.0° | 179.9° |
N | CAJ | SAG | H9 | 116.4° | 118.5° |
CAJ | N | CA | CB | 128.9° | 156.1° |
CAJ | N | CA | C | 103.5° | 83.7° |
CAJ | N | CA | H3 | 12.2° | 35.9° |
CAJ | N | CAM | H6 | 106.4° | 116.3° |
N | CAJ | CAD | H10 | 76.6° | 65.2° |
N | CAJ | CAD | H11 | 162.4° | 174.8° |
CA | N | CAJ | SAG | 79.4° | 148.5° |
N | CA | C | OXT | 13.2° | 27.7° |
N | CA | CB | C | 125.7° | 120.2° |
N | CA | CB | H3 | 117.2° | 120.1° |
N | CA | C | H3 | 116.2° | 119.7° |
N | CA | C | O | 164.7° | 152.3° |
N | CA | CB | H4 | 125.7° | 156.7° |
N | CA | CB | H5 | 113.0° | 78.7° |
CA | N | CAM | H6 | 132.4° | 118.0° |
CA | N | CAJ | H9 | 33.5° | 30.0° |
CAJ | SAG | CAF | H7 | 159.8° | 83.9° |
CAJ | SAG | CAF | H8 | 76.5° | 151.8° |
SAG | CAJ | CAD | H10 | 28.8° | 179.4° |
SAG | CAJ | CAD | H11 | 92.1° | 60.7° |
OXT | C | CA | CB | 113.3° | 93.1° |
OXT | C | CA | O | 177.9° | 180.0° |
OXT | C | O | H1 | 0.0° | 0.0° |
OXT | C | CA | H3 | 129.4° | 147.3° |
CB | CA | C | H3 | 117.2° | 119.6° |
CB | CA | C | O | 68.8° | 86.9° |
CA | CB | H4 | H5 | 122.0° | 124.7° |
CA | C | O | H1 | 177.8° | 180.0° |
C | CA | CB | H4 | 0.1° | 83.1° |
C | CA | CB | H5 | 121.3° | 41.5° |
O | C | CA | H3 | 48.4° | 32.7° |
H3 | CA | CB | H4 | 117.2° | 36.5° |
H3 | CA | CB | H5 | 4.2° | 161.1° |
H6 | CAM | CAF | H7 | 97.6° | 148.3° |
H6 | CAM | CAF | H8 | 26.1° | 24.0° |
H9 | CAJ | CAD | H10 | 154.0° | 57.7° |
H9 | CAJ | CAD | H11 | 33.0° | 62.3° |
H10 | CAD | SAC | H12 | 60.4° | 60.1° |
H11 | CAD | SAC | H12 | 60.5° | 59.9° |