MTR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | doub | 1.50Å | 1.49Å | |
P | OP2 | sing | 1.62Å | 1.49Å | |
P | O5' | sing | 1.62Å | 1.59Å | |
P | OP3 | sing | 1.62Å | 33.93Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.42Å | |
C1 | C6 | sing | 1.45Å | 1.38Å | |
C1 | C2 | doub | 1.34Å | 1.38Å | |
C1 | C1' | sing | 1.49Å | 1.48Å | |
C6 | C5 | doub | 1.34Å | 1.34Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C2 | N3 | sing | 1.37Å | 1.37Å | |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.39Å | 1.38Å | |
N3 | H3 | sing | 1.02Å | 1.02Å | |
C4 | O4 | doub | 1.23Å | 1.22Å | |
C4 | C5 | sing | 1.50Å | 1.45Å | |
C5 | C5M | sing | 1.49Å | 1.50Å | |
C5M | H71 | sing | 1.09Å | 1.12Å | |
C5M | H72 | sing | 1.09Å | 1.12Å | |
C5M | H73 | sing | 1.09Å | 1.11Å | |
C2' | C1' | sing | 1.52Å | 1.51Å | |
C2' | C3' | sing | 1.51Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
C2' | H2'' | sing | 1.10Å | 1.11Å | |
C5' | C4' | sing | 1.52Å | 1.51Å | |
C5' | H5' | sing | 1.09Å | 1.12Å | |
C5' | H5'' | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.52Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C1' | H1' | sing | 1.10Å | 1.12Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 119.9° | 115.3° |
OP1 | P | O5' | 108.9° | 115.0° |
OP1 | P | OP3 | 118.6° | 115.0° |
OP2 | P | O5' | 107.9° | 103.7° |
OP2 | P | OP3 | 121.4° | 103.3° |
P | OP2 | HOP2 | 119.9° | 118.9° |
O5' | P | OP3 | 54.6° | 102.9° |
P | O5' | C5' | 119.1° | 118.5° |
P | OP3 | HOP3 | 118.5° | 119.0° |
O5' | C5' | C4' | 110.7° | 108.6° |
O5' | C5' | H5' | 111.8° | 109.2° |
O5' | C5' | H5'' | 111.8° | 109.1° |
C6 | C1 | C2 | 121.2° | 118.7° |
C6 | C1 | C1' | 121.9° | 117.9° |
C1 | C6 | C5 | 123.5° | 122.1° |
C1 | C6 | H6 | 119.6° | 117.5° |
C2 | C1 | C1' | 116.9° | 123.4° |
C1 | C2 | N3 | 114.8° | 121.1° |
C1 | C2 | H2 | 122.8° | 123.2° |
C1 | C1' | C2' | 116.7° | 113.1° |
C1 | C1' | O4' | 108.3° | 109.8° |
C1 | C1' | H1' | 103.9° | 109.2° |
C5 | C6 | H6 | 116.8° | 120.4° |
C6 | C5 | C4 | 117.9° | 118.7° |
C6 | C5 | C5M | 123.1° | 123.6° |
N3 | C2 | H2 | 122.5° | 115.6° |
C2 | N3 | C4 | 127.2° | 123.8° |
C2 | N3 | H3 | 116.2° | 118.1° |
C4 | N3 | H3 | 116.7° | 118.1° |
N3 | C4 | O4 | 119.7° | 123.3° |
N3 | C4 | C5 | 115.4° | 115.6° |
O4 | C4 | C5 | 125.0° | 121.1° |
C4 | C5 | C5M | 118.9° | 117.7° |
C5 | C5M | H71 | 123.1° | 109.7° |
C5 | C5M | H72 | 107.3° | 109.8° |
C5 | C5M | H73 | 107.3° | 109.7° |
H71 | C5M | H72 | 107.3° | 109.3° |
H71 | C5M | H73 | 107.5° | 109.3° |
H72 | C5M | H73 | 102.4° | 108.9° |
C1' | C2' | C3' | 101.5° | 102.1° |
C1' | C2' | H2' | 115.2° | 111.7° |
C1' | C2' | H2'' | 115.2° | 111.0° |
C2' | C1' | O4' | 104.9° | 106.6° |
C2' | C1' | H1' | 107.4° | 110.6° |
C3' | C2' | H2' | 115.2° | 113.8° |
C3' | C2' | H2'' | 115.2° | 109.7° |
C2' | C3' | C4' | 103.6° | 102.9° |
C2' | C3' | O3' | 110.9° | 108.5° |
C2' | C3' | H3' | 112.1° | 113.8° |
H2' | C2' | H2'' | 95.3° | 108.6° |
C4' | C5' | H5' | 111.7° | 110.1° |
C4' | C5' | H5'' | 111.7° | 110.1° |
C5' | C4' | O4' | 111.4° | 107.9° |
C5' | C4' | C3' | 114.7° | 112.8° |
C5' | C4' | H4' | 103.4° | 109.5° |
H5' | C5' | H5'' | 98.6° | 109.6° |
O4' | C4' | C3' | 106.4° | 106.4° |
O4' | C4' | H4' | 112.2° | 107.8° |
C4' | O4' | C1' | 108.6° | 109.2° |
C3' | C4' | H4' | 108.8° | 112.2° |
C4' | C3' | O3' | 108.7° | 109.7° |
C4' | C3' | H3' | 114.1° | 113.9° |
O4' | C1' | H1' | 115.9° | 107.2° |
O3' | C3' | H3' | 107.4° | 107.9° |
C3' | O3' | HO3' | 110.9° | 106.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | O5' | 125.4° | 126.6° |
OP1 | P | OP2 | OP3 | 175.6° | 126.3° |
OP1 | P | O5' | OP3 | 112.1° | 125.8° |
OP1 | P | OP2 | HOP2 | 180.0° | 48.8° |
OP1 | P | O5' | C5' | 155.0° | 180.0° |
OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
OP2 | P | O5' | OP3 | 116.3° | 107.4° |
OP2 | P | O5' | C5' | 73.4° | 53.2° |
OP2 | P | OP3 | HOP3 | 4.4° | 78.5° |
O5' | P | OP2 | HOP2 | 54.6° | 175.4° |
P | O5' | C5' | C4' | 162.8° | 180.0° |
P | O5' | C5' | H5' | 72.0° | 59.9° |
P | O5' | C5' | H5'' | 37.5° | 59.9° |
O5' | P | OP3 | HOP3 | 86.1° | 173.8° |
OP3 | P | OP2 | HOP2 | 4.4° | 77.5° |
OP3 | P | O5' | C5' | 42.9° | 54.2° |
O5' | C5' | C4' | H5' | 125.3° | 119.5° |
O5' | C5' | C4' | H5'' | 125.3° | 119.5° |
O5' | C5' | H5' | H5'' | 117.7° | 119.5° |
O5' | C5' | C4' | O4' | 75.0° | 62.3° |
O5' | C5' | C4' | C3' | 45.9° | 179.5° |
O5' | C5' | C4' | H4' | 164.2° | 54.7° |
C6 | C1 | C2 | C1' | 179.4° | 180.0° |
C1 | C6 | C5 | H6 | 179.9° | 180.0° |
C6 | C1 | C2 | N3 | 1.1° | 0.0° |
C6 | C1 | C2 | H2 | 178.9° | 180.0° |
C1 | C6 | C5 | C4 | 0.5° | 0.1° |
C1 | C6 | C5 | C5M | 179.4° | 180.0° |
C6 | C1 | C1' | C2' | 54.9° | 63.7° |
C6 | C1 | C1' | O4' | 63.2° | 177.3° |
C6 | C1 | C1' | H1' | 173.0° | 60.0° |
C2 | C1 | C6 | C5 | 0.7° | 0.1° |
C2 | C1 | C6 | H6 | 179.3° | 180.0° |
C1 | C2 | N3 | H2 | 179.9° | 180.0° |
C1 | C2 | N3 | C4 | 0.5° | 0.0° |
C1 | C2 | N3 | H3 | 179.5° | 180.0° |
C2 | C1 | C1' | C2' | 125.7° | 116.3° |
C2 | C1 | C1' | O4' | 116.2° | 2.7° |
C2 | C1 | C1' | H1' | 7.6° | 120.0° |
C1' | C1 | C6 | C5 | 178.7° | 179.9° |
C1' | C1 | C6 | H6 | 1.3° | 0.0° |
C1' | C1 | C2 | N3 | 178.3° | 180.0° |
C1' | C1 | C2 | H2 | 1.7° | 0.0° |
C1 | C1' | C2' | O4' | 119.9° | 120.9° |
C1 | C1' | C2' | H1' | 116.1° | 122.9° |
C1 | C1' | C2' | C3' | 158.9° | 151.4° |
C1 | C1' | C2' | H2' | 75.8° | 86.7° |
C1 | C1' | C2' | H2'' | 33.7° | 34.6° |
C1 | C1' | O4' | C4' | 156.8° | 136.2° |
C1 | C1' | O4' | H1' | 116.3° | 118.5° |
C6 | C5 | C4 | N3 | 1.1° | 0.0° |
C6 | C5 | C4 | O4 | 178.6° | 180.0° |
C6 | C5 | C4 | C5M | 179.9° | 179.9° |
C6 | C5 | C5M | H71 | 179.9° | 62.0° |
C6 | C5 | C5M | H72 | 54.8° | 58.1° |
C6 | C5 | C5M | H73 | 54.7° | 177.8° |
H6 | C6 | C5 | C4 | 179.5° | 180.0° |
H6 | C6 | C5 | C5M | 0.7° | 0.1° |
C2 | N3 | C4 | H3 | 180.0° | 180.0° |
C2 | N3 | C4 | O4 | 179.1° | 180.0° |
C2 | N3 | C4 | C5 | 0.6° | 0.0° |
H2 | C2 | N3 | C4 | 179.6° | 180.0° |
H2 | C2 | N3 | H3 | 0.4° | 0.0° |
N3 | C4 | O4 | C5 | 179.7° | 180.0° |
N3 | C4 | C5 | C5M | 178.8° | 179.9° |
H3 | N3 | C4 | O4 | 0.9° | 0.0° |
H3 | N3 | C4 | C5 | 179.4° | 180.0° |
O4 | C4 | C5 | C5M | 1.5° | 0.1° |
C4 | C5 | C5M | H71 | 0.2° | 117.8° |
C4 | C5 | C5M | H72 | 125.4° | 122.0° |
C4 | C5 | C5M | H73 | 125.1° | 2.3° |
C5 | C5M | H71 | H72 | 125.2° | 120.4° |
C5 | C5M | H71 | H73 | 125.3° | 120.4° |
C5 | C5M | H72 | H73 | 112.8° | 120.2° |
H71 | C5M | H72 | H73 | 113.0° | 119.4° |
C1' | C2' | C3' | H2' | 125.2° | 120.5° |
C1' | C2' | C3' | H2'' | 125.2° | 117.7° |
C1' | C2' | H2' | H2'' | 121.1° | 122.7° |
C2' | C1' | O4' | C4' | 31.4° | 13.2° |
C1' | C2' | C3' | C4' | 31.5° | 35.2° |
C2' | C1' | O4' | H1' | 118.3° | 118.5° |
C1' | C2' | C3' | O3' | 84.9° | 81.0° |
C1' | C2' | C3' | H3' | 155.1° | 158.9° |
C3' | C2' | H2' | H2'' | 121.1° | 122.4° |
C2' | C3' | C4' | C5' | 109.6° | 89.6° |
C2' | C3' | C4' | O4' | 14.1° | 28.5° |
C2' | C3' | C4' | O3' | 118.0° | 115.3° |
C2' | C3' | C4' | H3' | 122.2° | 123.6° |
C2' | C3' | C4' | H4' | 135.2° | 146.1° |
C3' | C2' | C1' | O4' | 39.0° | 30.5° |
C3' | C2' | C1' | H1' | 84.9° | 85.7° |
C2' | C3' | O3' | H3' | 122.8° | 123.7° |
C2' | C3' | O3' | HO3' | 180.0° | 163.1° |
H2' | C2' | C3' | C4' | 156.7° | 155.6° |
H2' | C2' | C1' | O4' | 164.2° | 152.4° |
H2' | C2' | C1' | H1' | 40.3° | 36.2° |
H2' | C2' | C3' | O3' | 40.3° | 39.5° |
H2' | C2' | C3' | H3' | 79.7° | 80.7° |
H2'' | C2' | C3' | C4' | 93.7° | 82.6° |
H2'' | C2' | C1' | O4' | 86.2° | 86.3° |
H2'' | C2' | C1' | H1' | 149.8° | 157.5° |
H2'' | C2' | C3' | O3' | 149.9° | 161.3° |
H2'' | C2' | C3' | H3' | 29.8° | 41.2° |
C4' | C5' | H5' | H5'' | 117.6° | 121.3° |
C5' | C4' | O4' | C3' | 125.7° | 121.3° |
C5' | C4' | O4' | H4' | 115.4° | 118.2° |
C5' | C4' | C3' | H4' | 115.2° | 124.3° |
C5' | C4' | O4' | C1' | 136.3° | 111.7° |
C5' | C4' | C3' | O3' | 132.4° | 155.1° |
C5' | C4' | C3' | H3' | 12.7° | 34.0° |
H5' | C5' | C4' | O4' | 159.7° | 57.2° |
H5' | C5' | C4' | C3' | 79.3° | 60.0° |
H5' | C5' | C4' | H4' | 39.0° | 174.3° |
H5'' | C5' | C4' | O4' | 50.3° | 178.2° |
H5'' | C5' | C4' | C3' | 171.3° | 61.0° |
H5'' | C5' | C4' | H4' | 70.5° | 64.7° |
O4' | C4' | C3' | H4' | 121.1° | 117.6° |
C4' | O4' | C1' | H1' | 86.9° | 105.3° |
O4' | C4' | C3' | O3' | 103.9° | 86.8° |
O4' | C4' | C3' | H3' | 136.3° | 152.1° |
C3' | C4' | O4' | C1' | 10.6° | 9.6° |
C4' | C3' | O3' | H3' | 123.9° | 124.6° |
C4' | C3' | O3' | HO3' | 66.7° | 51.5° |
H4' | C4' | O4' | C1' | 108.2° | 130.1° |
H4' | C4' | C3' | O3' | 17.2° | 30.8° |
H4' | C4' | C3' | H3' | 102.6° | 90.3° |
H3' | C3' | O3' | HO3' | 57.2° | 73.2° |