Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP3 | P | sing | 1.62Å | 1.62Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
P | OP1 | doub | 1.50Å | 1.48Å | |
P | OP2 | sing | 1.62Å | 1.48Å | |
P | O5' | sing | 1.62Å | 1.61Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.42Å | |
C5' | C4' | sing | 1.52Å | 1.53Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.42Å | |
C4' | C3' | sing | 1.52Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.43Å | 1.41Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.51Å | 1.53Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.52Å | 1.53Å | |
C2' | H2' | sing | 1.10Å | 1.10Å | |
C2' | H2'' | sing | 1.09Å | 1.10Å | |
C1' | N1 | sing | 1.43Å | 1.48Å | |
C1' | H1' | sing | 1.10Å | 1.10Å | |
N1 | C2 | sing | 1.41Å | 1.39Å | |
N1 | C6 | sing | 1.39Å | 1.37Å | |
C2 | O2 | doub | 1.23Å | 1.23Å | |
C2 | N3 | sing | 1.40Å | 1.39Å | |
N3 | C4 | sing | 1.39Å | 1.39Å | |
N3 | H3 | sing | 1.02Å | 1.00Å | |
C4 | O4 | doub | 1.23Å | 1.23Å | |
C4 | C5 | sing | 1.49Å | 1.46Å | |
C5 | C7 | sing | 1.49Å | 1.51Å | |
C5 | C6 | doub | 1.34Å | 1.36Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C7 | H73 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | OP3 | HOP3 | 109.5° | 118.9° |
OP3 | P | OP1 | 107.8° | 115.3° |
OP3 | P | OP2 | 108.5° | 103.3° |
OP3 | P | O5' | 103.8° | 103.7° |
OP1 | P | OP2 | 119.7° | 115.0° |
OP1 | P | O5' | 107.9° | 115.0° |
OP2 | P | O5' | 108.0° | 102.9° |
P | OP2 | HOP2 | 109.5° | 118.9° |
P | O5' | C5' | 121.5° | 118.5° |
O5' | C5' | C4' | 111.2° | 108.9° |
O5' | C5' | H5' | 108.9° | 109.0° |
O5' | C5' | H5'' | 108.5° | 108.9° |
C4' | C5' | H5' | 108.9° | 110.3° |
C4' | C5' | H5'' | 108.6° | 110.3° |
C5' | C4' | O4' | 108.1° | 107.9° |
C5' | C4' | C3' | 111.6° | 112.9° |
C5' | C4' | H4' | 108.4° | 109.5° |
H5' | C5' | H5'' | 110.8° | 109.3° |
O4' | C4' | C3' | 107.8° | 106.2° |
O4' | C4' | H4' | 112.2° | 107.9° |
C4' | O4' | C1' | 108.2° | 109.3° |
C3' | C4' | H4' | 108.8° | 112.2° |
C4' | C3' | O3' | 109.0° | 109.9° |
C4' | C3' | C2' | 102.2° | 103.1° |
C4' | C3' | H3' | 115.6° | 113.5° |
O4' | C1' | C2' | 102.6° | 107.4° |
O4' | C1' | N1 | 109.4° | 109.3° |
O4' | C1' | H1' | 114.8° | 108.0° |
O3' | C3' | C2' | 112.9° | 109.7° |
O3' | C3' | H3' | 105.4° | 107.4° |
C3' | O3' | HO3' | 109.5° | 107.3° |
C2' | C3' | H3' | 111.9° | 113.2° |
C3' | C2' | C1' | 103.2° | 102.5° |
C3' | C2' | H2' | 111.6° | 109.7° |
C3' | C2' | H2'' | 113.0° | 114.1° |
C1' | C2' | H2' | 111.6° | 110.6° |
C1' | C2' | H2'' | 112.9° | 111.7° |
C2' | C1' | N1 | 112.2° | 112.8° |
C2' | C1' | H1' | 112.2° | 111.5° |
H2' | C2' | H2'' | 104.8° | 108.3° |
N1 | C1' | H1' | 105.7° | 107.8° |
C1' | N1 | C2 | 119.5° | 121.2° |
C1' | N1 | C6 | 119.1° | 118.4° |
C2 | N1 | C6 | 121.4° | 120.4° |
N1 | C2 | O2 | 123.7° | 123.8° |
N1 | C2 | N3 | 116.1° | 115.1° |
N1 | C6 | C5 | 121.7° | 124.5° |
N1 | C6 | H6 | 119.2° | 114.9° |
O2 | C2 | N3 | 120.2° | 121.1° |
C2 | N3 | C4 | 125.9° | 127.0° |
C2 | N3 | H3 | 117.0° | 116.4° |
C4 | N3 | H3 | 117.0° | 116.6° |
N3 | C4 | O4 | 119.4° | 123.6° |
N3 | C4 | C5 | 114.2° | 114.8° |
O4 | C4 | C5 | 126.4° | 121.6° |
C4 | C5 | C7 | 120.6° | 118.1° |
C4 | C5 | C6 | 120.6° | 118.3° |
C7 | C5 | C6 | 118.8° | 123.6° |
C5 | C7 | H71 | 109.5° | 109.7° |
C5 | C7 | H72 | 109.5° | 109.8° |
C5 | C7 | H73 | 109.4° | 109.7° |
C5 | C6 | H6 | 119.2° | 120.7° |
H71 | C7 | H72 | 109.5° | 109.4° |
H71 | C7 | H73 | 109.5° | 109.4° |
H72 | C7 | H73 | 109.5° | 108.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP3 | P | OP1 | OP2 | 124.6° | 120.1° |
OP3 | P | OP1 | O5' | 111.6° | 120.6° |
OP3 | P | OP2 | O5' | 112.0° | 107.7° |
OP3 | P | OP2 | HOP2 | 178.8° | 78.5° |
OP3 | P | O5' | C5' | 56.5° | 53.2° |
HOP3 | OP3 | P | OP1 | 134.5° | 48.8° |
HOP3 | OP3 | P | OP2 | 3.4° | 77.5° |
HOP3 | OP3 | P | O5' | 111.3° | 175.4° |
OP1 | P | OP2 | O5' | 123.8° | 125.8° |
OP1 | P | OP2 | HOP2 | 54.5° | 48.0° |
OP1 | P | O5' | C5' | 57.7° | 179.9° |
OP2 | P | O5' | C5' | 171.6° | 54.2° |
O5' | P | OP2 | HOP2 | 69.3° | 173.8° |
P | O5' | C5' | C4' | 175.9° | 180.0° |
P | O5' | C5' | H5' | 64.1° | 59.6° |
P | O5' | C5' | H5'' | 56.6° | 59.6° |
O5' | C5' | C4' | H5' | 120.0° | 119.6° |
O5' | C5' | C4' | H5'' | 119.3° | 119.5° |
O5' | C5' | H5' | H5'' | 119.3° | 119.0° |
O5' | C5' | C4' | O4' | 66.5° | 62.4° |
O5' | C5' | C4' | C3' | 51.8° | 179.5° |
O5' | C5' | C4' | H4' | 171.6° | 54.7° |
C4' | C5' | H5' | H5'' | 119.3° | 121.5° |
C5' | C4' | O4' | C3' | 120.8° | 121.4° |
C5' | C4' | O4' | H4' | 119.5° | 118.2° |
C5' | C4' | C3' | H4' | 119.6° | 124.3° |
C5' | C4' | O4' | C1' | 142.4° | 108.6° |
C5' | C4' | C3' | O3' | 125.7° | 154.2° |
C5' | C4' | C3' | C2' | 114.6° | 88.8° |
C5' | C4' | C3' | H3' | 7.2° | 34.0° |
H5' | C5' | C4' | O4' | 173.4° | 57.1° |
H5' | C5' | C4' | C3' | 68.2° | 60.0° |
H5' | C5' | C4' | H4' | 51.6° | 174.3° |
H5'' | C5' | C4' | O4' | 52.8° | 178.1° |
H5'' | C5' | C4' | C3' | 171.1° | 61.0° |
H5'' | C5' | C4' | H4' | 69.1° | 64.8° |
O4' | C4' | C3' | H4' | 121.8° | 117.6° |
O4' | C4' | C3' | O3' | 115.8° | 87.7° |
O4' | C4' | C3' | C2' | 3.9° | 29.2° |
O4' | C4' | C3' | H3' | 125.7° | 152.1° |
C4' | O4' | C1' | C2' | 37.9° | 9.0° |
C4' | O4' | C1' | N1 | 157.2° | 131.7° |
C4' | O4' | C1' | H1' | 84.1° | 111.3° |
C3' | C4' | O4' | C1' | 21.6° | 12.7° |
C4' | C3' | O3' | C2' | 112.8° | 112.7° |
C4' | C3' | O3' | H3' | 124.7° | 123.9° |
C4' | C3' | C2' | H3' | 124.3° | 123.0° |
C4' | C3' | O3' | HO3' | 89.9° | 128.0° |
C4' | C3' | C2' | C1' | 25.6° | 33.4° |
C4' | C3' | C2' | H2' | 94.4° | 84.1° |
C4' | C3' | C2' | H2'' | 147.9° | 154.3° |
H4' | C4' | O4' | C1' | 98.1° | 133.2° |
H4' | C4' | C3' | O3' | 6.1° | 29.9° |
H4' | C4' | C3' | C2' | 125.8° | 146.9° |
H4' | C4' | C3' | H3' | 112.4° | 90.3° |
O4' | C1' | C2' | C3' | 39.1° | 26.9° |
O4' | C1' | C2' | N1 | 117.4° | 120.5° |
O4' | C1' | C2' | H1' | 123.8° | 118.1° |
O4' | C1' | C2' | H2' | 80.9° | 90.0° |
O4' | C1' | C2' | H2'' | 161.4° | 149.4° |
O4' | C1' | N1 | H1' | 124.2° | 117.1° |
O4' | C1' | N1 | C2 | 126.0° | 147.2° |
O4' | C1' | N1 | C6 | 52.3° | 32.9° |
O3' | C3' | C2' | H3' | 118.7° | 119.9° |
O3' | C3' | C2' | C1' | 91.3° | 83.6° |
O3' | C3' | C2' | H2' | 148.7° | 158.9° |
O3' | C3' | C2' | H2'' | 30.9° | 37.2° |
C2' | C3' | O3' | HO3' | 22.9° | 119.3° |
C3' | C2' | C1' | H2' | 120.0° | 116.9° |
C3' | C2' | C1' | H2'' | 122.3° | 122.5° |
C3' | C2' | H2' | H2'' | 122.6° | 125.1° |
C3' | C2' | C1' | N1 | 156.5° | 147.4° |
C3' | C2' | C1' | H1' | 84.7° | 91.2° |
H3' | C3' | O3' | HO3' | 145.4° | 4.1° |
H3' | C3' | C2' | C1' | 149.9° | 156.4° |
H3' | C3' | C2' | H2' | 29.9° | 38.9° |
H3' | C3' | C2' | H2'' | 87.8° | 82.7° |
C1' | C2' | H2' | H2'' | 122.5° | 122.7° |
C2' | C1' | N1 | H1' | 122.6° | 123.5° |
C2' | C1' | N1 | C2 | 120.8° | 93.5° |
C2' | C1' | N1 | C6 | 60.9° | 86.5° |
H2' | C2' | C1' | N1 | 36.5° | 30.6° |
H2' | C2' | C1' | H1' | 155.3° | 151.9° |
H2'' | C2' | C1' | N1 | 81.2° | 90.1° |
H2'' | C2' | C1' | H1' | 37.6° | 31.3° |
C1' | N1 | C2 | C6 | 178.3° | 180.0° |
C1' | N1 | C2 | O2 | 5.7° | 0.0° |
C1' | N1 | C2 | N3 | 174.3° | 180.0° |
C1' | N1 | C6 | C5 | 175.2° | 180.0° |
C1' | N1 | C6 | H6 | 4.8° | 0.0° |
H1' | C1' | N1 | C2 | 1.8° | 30.0° |
H1' | C1' | N1 | C6 | 176.5° | 150.0° |
N1 | C2 | O2 | N3 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 2.1° | 0.0° |
N1 | C2 | N3 | H3 | 177.9° | 180.0° |
C2 | N1 | C6 | C5 | 3.1° | 0.0° |
C2 | N1 | C6 | H6 | 176.9° | 180.0° |
C6 | N1 | C2 | O2 | 176.1° | 180.0° |
C6 | N1 | C2 | N3 | 4.0° | 0.0° |
N1 | C6 | C5 | C4 | 0.1° | 0.0° |
N1 | C6 | C5 | C7 | 178.6° | 180.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
O2 | C2 | N3 | C4 | 177.9° | 179.9° |
O2 | C2 | N3 | H3 | 2.0° | 0.0° |
C2 | N3 | C4 | H3 | 180.0° | 179.9° |
C2 | N3 | C4 | O4 | 179.3° | 179.9° |
C2 | N3 | C4 | C5 | 0.6° | 0.1° |
N3 | C4 | O4 | C5 | 179.9° | 180.0° |
N3 | C4 | C5 | C7 | 179.7° | 180.0° |
N3 | C4 | C5 | C6 | 1.7° | 0.1° |
H3 | N3 | C4 | O4 | 0.7° | 0.0° |
H3 | N3 | C4 | C5 | 179.4° | 180.0° |
O4 | C4 | C5 | C7 | 0.4° | 0.0° |
O4 | C4 | C5 | C6 | 178.2° | 179.9° |
C4 | C5 | C7 | C6 | 178.7° | 180.0° |
C4 | C5 | C7 | H71 | 176.6° | 60.4° |
C4 | C5 | C7 | H72 | 63.4° | 179.4° |
C4 | C5 | C7 | H73 | 56.6° | 59.8° |
C4 | C5 | C6 | H6 | 179.9° | 180.0° |
C5 | C7 | H71 | H72 | 120.0° | 120.4° |
C5 | C7 | H71 | H73 | 120.0° | 120.4° |
C5 | C7 | H72 | H73 | 120.0° | 120.1° |
C7 | C5 | C6 | H6 | 1.4° | 0.0° |
C6 | C5 | C7 | H71 | 2.1° | 119.7° |
C6 | C5 | C7 | H72 | 117.9° | 0.5° |
C6 | C5 | C7 | H73 | 122.1° | 120.2° |
H71 | C7 | H72 | H73 | 120.0° | 119.5° |