UR5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C | sing | 1.35Å | 1.31Å | |
N | O1 | sing | 1.41Å | 1.41Å | |
O | C | doub | 1.21Å | 1.28Å | |
C | C2 | sing | 1.51Å | 1.48Å | |
O1 | C1 | sing | 1.44Å | 1.45Å | |
C2 | C1 | sing | 1.56Å | 1.53Å | |
C2 | C3 | sing | 1.55Å | 1.51Å | |
C1 | C4 | sing | 1.54Å | 1.53Å | |
C4 | N1 | sing | 1.48Å | 1.47Å | |
C4 | C5 | sing | 1.51Å | 1.52Å | |
N1 | C3 | sing | 1.49Å | 1.45Å | |
C5 | O2 | doub | 1.21Å | 1.31Å | |
C5 | O3 | sing | 1.34Å | 1.21Å | |
N | H1 | sing | 0.97Å | 1.00Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
N1 | H7 | sing | 1.01Å | 1.00Å | |
O3 | H9 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | N | O1 | 110.7° | 111.8° |
N | C | O | 121.2° | 126.1° |
N | C | C2 | 112.4° | 107.9° |
C | N | H1 | 124.6° | 124.1° |
N | O1 | C1 | 109.0° | 108.4° |
O1 | N | H1 | 124.7° | 124.1° |
O | C | C2 | 126.4° | 126.0° |
C | C2 | C1 | 102.5° | 103.1° |
C | C2 | C3 | 111.9° | 109.5° |
C | C2 | H3 | 113.0° | 113.2° |
O1 | C1 | C2 | 105.2° | 102.5° |
O1 | C1 | C4 | 106.9° | 108.5° |
O1 | C1 | H2 | 113.8° | 113.8° |
C1 | C2 | C3 | 103.9° | 102.9° |
C2 | C1 | C4 | 105.4° | 104.7° |
C2 | C1 | H2 | 112.4° | 113.3° |
C1 | C2 | H3 | 112.2° | 113.4° |
C2 | C3 | N1 | 105.1° | 103.4° |
C3 | C2 | H3 | 112.6° | 113.9° |
C2 | C3 | H4 | 110.6° | 110.6° |
C2 | C3 | H5 | 110.6° | 110.6° |
C1 | C4 | N1 | 104.8° | 107.3° |
C1 | C4 | C5 | 111.6° | 109.9° |
C4 | C1 | H2 | 112.5° | 113.1° |
C1 | C4 | H6 | 109.2° | 109.8° |
N1 | C4 | C5 | 111.8° | 109.9° |
C4 | N1 | C3 | 105.1° | 105.8° |
N1 | C4 | H6 | 110.1° | 109.9° |
C4 | N1 | H7 | 110.6° | 111.1° |
C4 | C5 | O2 | 113.3° | 120.0° |
C4 | C5 | O3 | 122.4° | 120.0° |
C5 | C4 | H6 | 109.4° | 110.0° |
N1 | C3 | H4 | 110.6° | 110.7° |
N1 | C3 | H5 | 110.6° | 110.8° |
C3 | N1 | H7 | 110.5° | 111.0° |
O2 | C5 | O3 | 124.3° | 120.0° |
C5 | O3 | H9 | 109.5° | 117.0° |
H4 | C3 | H5 | 109.4° | 110.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | N | O1 | H1 | 180.0° | 179.7° |
N | C | O | C2 | 179.8° | 180.0° |
C | N | O1 | C1 | 1.4° | 18.0° |
N | C | C2 | C1 | 3.6° | 13.0° |
N | C | C2 | C3 | 114.4° | 95.9° |
N | C | C2 | H3 | 117.3° | 135.9° |
O1 | N | C | O | 178.2° | 177.9° |
O1 | N | C | C2 | 1.6° | 2.1° |
N | O1 | C1 | C2 | 3.6° | 24.7° |
N | O1 | C1 | C4 | 108.2° | 135.2° |
N | O1 | C1 | H2 | 127.0° | 98.0° |
O | C | C2 | C1 | 176.1° | 167.0° |
O | C | C2 | C3 | 65.4° | 84.1° |
O | C | N | H1 | 1.8° | 1.8° |
O | C | C2 | H3 | 62.9° | 44.1° |
C | C2 | C1 | O1 | 4.2° | 22.5° |
C | C2 | C1 | C3 | 116.7° | 113.8° |
C | C2 | C1 | H3 | 121.5° | 122.7° |
C | C2 | C3 | H3 | 128.5° | 127.8° |
C | C2 | C1 | C4 | 108.6° | 135.8° |
C | C2 | C3 | N1 | 80.2° | 146.6° |
C2 | C | N | H1 | 178.4° | 178.2° |
C | C2 | C1 | H2 | 128.5° | 100.5° |
C | C2 | C3 | H4 | 160.5° | 94.9° |
C | C2 | C3 | H5 | 39.2° | 28.0° |
O1 | C1 | C2 | C4 | 112.8° | 113.3° |
O1 | C1 | C2 | H2 | 124.4° | 123.0° |
O1 | C1 | C2 | C3 | 120.8° | 91.3° |
O1 | C1 | C4 | H2 | 125.6° | 127.2° |
O1 | C1 | C4 | N1 | 95.7° | 110.2° |
O1 | C1 | C4 | C5 | 143.2° | 130.3° |
C1 | O1 | N | H1 | 178.6° | 162.2° |
O1 | C1 | C2 | H3 | 117.3° | 145.3° |
O1 | C1 | C4 | H6 | 22.1° | 9.2° |
C1 | C2 | C3 | H3 | 121.6° | 123.1° |
C2 | C1 | C4 | H2 | 122.8° | 123.8° |
C2 | C1 | C4 | N1 | 15.8° | 1.3° |
C2 | C1 | C4 | C5 | 105.3° | 120.7° |
C1 | C2 | C3 | N1 | 29.7° | 37.5° |
C1 | C2 | C3 | H4 | 89.6° | 156.0° |
C1 | C2 | C3 | H5 | 149.1° | 81.1° |
C2 | C1 | C4 | H6 | 133.7° | 118.1° |
C3 | C2 | C1 | C4 | 8.1° | 22.0° |
C2 | C3 | N1 | C4 | 40.9° | 39.4° |
C2 | C3 | N1 | H4 | 119.3° | 118.4° |
C2 | C3 | N1 | H5 | 119.3° | 118.5° |
C3 | C2 | C1 | H2 | 114.8° | 145.7° |
C2 | C3 | H4 | H5 | 122.0° | 122.9° |
C2 | C3 | N1 | H7 | 78.4° | 160.0° |
C1 | C4 | N1 | C5 | 121.0° | 119.5° |
C1 | C4 | N1 | H6 | 117.3° | 119.4° |
C1 | C4 | C5 | H6 | 121.0° | 121.1° |
C1 | C4 | N1 | C3 | 35.1° | 25.4° |
C1 | C4 | C5 | O2 | 156.1° | 100.0° |
C1 | C4 | C5 | O3 | 23.4° | 79.9° |
C4 | C1 | C2 | H3 | 129.9° | 101.4° |
C1 | C4 | N1 | H7 | 84.2° | 145.9° |
N1 | C4 | C5 | H6 | 122.1° | 121.1° |
C4 | N1 | C3 | H7 | 119.3° | 120.6° |
N1 | C4 | C5 | O2 | 87.0° | 17.9° |
N1 | C4 | C5 | O3 | 93.6° | 162.2° |
N1 | C4 | C1 | H2 | 138.7° | 122.5° |
C4 | N1 | C3 | H4 | 78.4° | 157.8° |
C4 | N1 | C3 | H5 | 160.2° | 79.1° |
C5 | C4 | N1 | C3 | 85.9° | 144.9° |
C4 | C5 | O2 | O3 | 179.5° | 179.9° |
C5 | C4 | C1 | H2 | 17.6° | 3.1° |
C5 | C4 | N1 | H7 | 154.8° | 94.6° |
C4 | C5 | O3 | H9 | 179.4° | 180.0° |
N1 | C3 | C2 | H3 | 151.3° | 85.6° |
N1 | C3 | H4 | H5 | 122.0° | 123.2° |
C3 | N1 | C4 | H6 | 152.4° | 94.0° |
O2 | C5 | C4 | H6 | 35.2° | 138.9° |
O2 | C5 | O3 | H9 | 0.0° | 0.0° |
O3 | C5 | C4 | H6 | 144.3° | 41.1° |
H2 | C1 | C2 | H3 | 7.0° | 22.3° |
H2 | C1 | C4 | H6 | 103.4° | 118.0° |
H3 | C2 | C3 | H4 | 32.0° | 32.9° |
H3 | C2 | C3 | H5 | 89.4° | 155.8° |
H4 | C3 | N1 | H7 | 162.3° | 81.6° |
H5 | C3 | N1 | H7 | 40.9° | 41.4° |
H6 | C4 | N1 | H7 | 33.1° | 26.5° |