DDG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP3 | P | sing | 1.61Å | 1.61Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
P | OP1 | doub | 1.48Å | 1.48Å | |
P | OP2 | sing | 1.61Å | 1.48Å | |
P | O5' | sing | 1.61Å | 1.60Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5' | sing | 1.09Å | 1.12Å | |
C5' | H5'' | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.45Å | 1.45Å | |
C4' | C3' | sing | 1.55Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3'1 | sing | 1.09Å | 1.12Å | |
C3' | H3'2 | sing | 1.09Å | 1.12Å | |
C2' | C1' | sing | 1.54Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
C2' | H2'' | sing | 1.09Å | 1.12Å | |
C1' | N9 | sing | 1.46Å | 1.46Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.42Å | |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.24Å | |
C6 | N1 | sing | 1.35Å | 1.39Å | |
N1 | C2 | sing | 1.36Å | 1.38Å | |
N1 | H1 | sing | 0.97Å | 1.02Å | |
C2 | N2 | sing | 1.37Å | 1.35Å | |
C2 | N3 | doub | 1.31Å | 1.32Å | |
N2 | H21 | sing | 0.97Å | 1.02Å | |
N2 | H22 | sing | 0.97Å | 1.02Å | |
N3 | C4 | sing | 1.34Å | 1.35Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | OP3 | HOP3 | 108.7° | 106.8° |
OP3 | P | OP1 | 108.8° | 109.4° |
OP3 | P | OP2 | 105.3° | 109.5° |
OP3 | P | O5' | 105.2° | 109.5° |
OP1 | P | OP2 | 119.6° | 109.5° |
OP1 | P | O5' | 107.5° | 109.4° |
OP2 | P | O5' | 109.6° | 109.5° |
P | OP2 | HOP2 | 105.4° | 106.8° |
P | O5' | C5' | 119.3° | 106.8° |
O5' | C5' | C4' | 110.8° | 109.5° |
O5' | C5' | H5' | 111.7° | 109.4° |
O5' | C5' | H5'' | 111.7° | 109.5° |
C4' | C5' | H5' | 111.8° | 109.5° |
C4' | C5' | H5'' | 111.8° | 109.5° |
C5' | C4' | O4' | 110.4° | 110.8° |
C5' | C4' | C3' | 116.1° | 110.6° |
C5' | C4' | H4' | 102.8° | 110.6° |
H5' | C5' | H5'' | 98.7° | 109.4° |
O4' | C4' | C3' | 104.8° | 103.5° |
O4' | C4' | H4' | 114.5° | 110.6° |
C4' | O4' | C1' | 109.7° | 106.9° |
C3' | C4' | H4' | 108.6° | 110.6° |
C4' | C3' | C2' | 102.1° | 102.1° |
C4' | C3' | H3'1 | 115.0° | 110.9° |
C4' | C3' | H3'2 | 115.0° | 110.9° |
O4' | C1' | C2' | 107.2° | 107.4° |
O4' | C1' | N9 | 108.8° | 109.9° |
O4' | C1' | H1' | 112.0° | 109.9° |
C2' | C3' | H3'1 | 115.1° | 110.9° |
C2' | C3' | H3'2 | 115.0° | 110.9° |
C3' | C2' | C1' | 101.8° | 104.2° |
C3' | C2' | H2' | 115.1° | 110.5° |
C3' | C2' | H2'' | 115.1° | 110.5° |
H3'1 | C3' | H3'2 | 95.4° | 110.8° |
C1' | C2' | H2' | 115.2° | 110.5° |
C1' | C2' | H2'' | 115.2° | 110.4° |
C2' | C1' | N9 | 111.4° | 110.0° |
C2' | C1' | H1' | 109.5° | 109.8° |
H2' | C2' | H2'' | 95.3° | 110.6° |
N9 | C1' | H1' | 107.9° | 109.9° |
C1' | N9 | C8 | 127.8° | 126.2° |
C1' | N9 | C4 | 125.8° | 126.3° |
C8 | N9 | C4 | 106.4° | 107.5° |
N9 | C8 | N7 | 113.1° | 109.8° |
N9 | C8 | H8 | 125.9° | 125.1° |
N9 | C4 | C5 | 105.4° | 106.2° |
N9 | C4 | N3 | 125.7° | 134.2° |
N7 | C8 | H8 | 121.0° | 125.1° |
C8 | N7 | C5 | 104.3° | 109.4° |
N7 | C5 | C6 | 130.3° | 134.2° |
N7 | C5 | C4 | 110.8° | 107.2° |
C6 | C5 | C4 | 118.8° | 118.6° |
C5 | C6 | O6 | 128.6° | 120.8° |
C5 | C6 | N1 | 111.4° | 118.4° |
C5 | C4 | N3 | 128.9° | 119.7° |
O6 | C6 | N1 | 119.9° | 120.8° |
C6 | N1 | C2 | 125.1° | 120.3° |
C6 | N1 | H1 | 118.0° | 119.8° |
C2 | N1 | H1 | 116.9° | 119.9° |
N1 | C2 | N2 | 116.5° | 119.0° |
N1 | C2 | N3 | 123.9° | 121.9° |
N2 | C2 | N3 | 119.6° | 119.0° |
C2 | N2 | H21 | 116.5° | 119.9° |
C2 | N2 | H22 | 109.7° | 120.0° |
C2 | N3 | C4 | 111.9° | 121.1° |
H21 | N2 | H22 | 109.7° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP3 | P | OP1 | OP2 | 121.0° | 120.0° |
OP3 | P | OP1 | O5' | 113.4° | 119.9° |
OP3 | P | OP2 | O5' | 112.7° | 120.0° |
OP3 | P | OP2 | HOP2 | 180.0° | 60.0° |
OP3 | P | O5' | C5' | 61.3° | 180.0° |
HOP3 | OP3 | P | OP1 | 180.0° | 60.1° |
HOP3 | OP3 | P | OP2 | 50.7° | 60.0° |
HOP3 | OP3 | P | O5' | 65.1° | 180.0° |
OP1 | P | OP2 | O5' | 124.6° | 120.0° |
OP1 | P | OP2 | HOP2 | 57.3° | 180.0° |
OP1 | P | O5' | C5' | 177.1° | 60.1° |
OP2 | P | O5' | C5' | 51.5° | 60.0° |
O5' | P | OP2 | HOP2 | 67.3° | 60.0° |
P | O5' | C5' | C4' | 176.3° | 179.9° |
P | O5' | C5' | H5' | 51.0° | 59.9° |
P | O5' | C5' | H5'' | 58.4° | 60.0° |
O5' | C5' | C4' | H5' | 125.2° | 120.0° |
O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
O5' | C5' | H5' | H5'' | 117.6° | 119.9° |
O5' | C5' | C4' | O4' | 77.7° | 65.8° |
O5' | C5' | C4' | C3' | 41.4° | 180.0° |
O5' | C5' | C4' | H4' | 159.8° | 57.1° |
C4' | C5' | H5' | H5'' | 117.7° | 120.1° |
C5' | C4' | O4' | C3' | 125.7° | 118.6° |
C5' | C4' | O4' | H4' | 115.4° | 122.9° |
C5' | C4' | C3' | H4' | 115.1° | 122.9° |
C5' | C4' | O4' | C1' | 144.8° | 158.5° |
C5' | C4' | C3' | C2' | 156.8° | 155.6° |
C5' | C4' | C3' | H3'1 | 31.5° | 86.1° |
C5' | C4' | C3' | H3'2 | 77.9° | 37.4° |
H5' | C5' | C4' | O4' | 157.1° | 174.2° |
H5' | C5' | C4' | C3' | 83.8° | 60.0° |
H5' | C5' | C4' | H4' | 34.6° | 62.9° |
H5'' | C5' | C4' | O4' | 47.6° | 54.2° |
H5'' | C5' | C4' | C3' | 166.7° | 60.0° |
H5'' | C5' | C4' | H4' | 75.0° | 177.1° |
O4' | C4' | C3' | H4' | 122.8° | 118.4° |
O4' | C4' | C3' | C2' | 34.7° | 37.0° |
O4' | C4' | C3' | H3'1 | 90.6° | 155.2° |
O4' | C4' | C3' | H3'2 | 160.0° | 81.2° |
C4' | O4' | C1' | C2' | 4.8° | 26.4° |
C4' | O4' | C1' | N9 | 115.8° | 145.9° |
C4' | O4' | C1' | H1' | 124.9° | 93.1° |
C3' | C4' | O4' | C1' | 19.0° | 39.9° |
C4' | C3' | C2' | H3'1 | 125.3° | 118.2° |
C4' | C3' | C2' | H3'2 | 125.3° | 118.2° |
C4' | C3' | H3'1 | H3'2 | 120.9° | 123.6° |
C4' | C3' | C2' | C1' | 36.5° | 20.9° |
C4' | C3' | C2' | H2' | 161.8° | 97.8° |
C4' | C3' | C2' | H2'' | 88.8° | 139.6° |
H4' | C4' | O4' | C1' | 99.8° | 78.6° |
H4' | C4' | C3' | C2' | 88.0° | 81.5° |
H4' | C4' | C3' | H3'1 | 146.6° | 36.8° |
H4' | C4' | C3' | H3'2 | 37.2° | 160.3° |
O4' | C1' | C2' | C3' | 26.3° | 2.0° |
O4' | C1' | C2' | N9 | 119.0° | 119.5° |
O4' | C1' | C2' | H1' | 121.7° | 119.5° |
O4' | C1' | C2' | H2' | 151.5° | 120.6° |
O4' | C1' | C2' | H2'' | 99.0° | 116.7° |
O4' | C1' | N9 | H1' | 121.8° | 121.0° |
O4' | C1' | N9 | C8 | 28.0° | 28.3° |
O4' | C1' | N9 | C4 | 153.2° | 151.8° |
C2' | C3' | H3'1 | H3'2 | 120.9° | 123.6° |
C3' | C2' | C1' | H2' | 125.3° | 118.7° |
C3' | C2' | C1' | H2'' | 125.3° | 118.7° |
C3' | C2' | H2' | H2'' | 121.0° | 122.6° |
C3' | C2' | C1' | N9 | 92.7° | 121.5° |
C3' | C2' | C1' | H1' | 148.0° | 117.5° |
H3'1 | C3' | C2' | C1' | 88.8° | 139.1° |
H3'1 | C3' | C2' | H2' | 36.5° | 20.4° |
H3'1 | C3' | C2' | H2'' | 145.9° | 102.2° |
H3'2 | C3' | C2' | C1' | 161.8° | 97.3° |
H3'2 | C3' | C2' | H2' | 72.9° | 144.0° |
H3'2 | C3' | C2' | H2'' | 36.5° | 21.3° |
C1' | C2' | H2' | H2'' | 121.1° | 122.6° |
C2' | C1' | N9 | H1' | 120.2° | 121.0° |
C2' | C1' | N9 | C8 | 90.0° | 89.7° |
C2' | C1' | N9 | C4 | 88.8° | 90.2° |
H2' | C2' | C1' | N9 | 32.6° | 119.8° |
H2' | C2' | C1' | H1' | 86.7° | 1.2° |
H2'' | C2' | C1' | N9 | 142.1° | 2.8° |
H2'' | C2' | C1' | H1' | 22.8° | 123.8° |
C1' | N9 | C8 | C4 | 179.0° | 179.9° |
C1' | N9 | C8 | N7 | 178.3° | 179.9° |
C1' | N9 | C8 | H8 | 1.7° | 0.0° |
C1' | N9 | C4 | C5 | 178.7° | 180.0° |
C1' | N9 | C4 | N3 | 1.2° | 0.1° |
H1' | C1' | N9 | C8 | 149.8° | 149.3° |
H1' | C1' | N9 | C4 | 31.4° | 30.8° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
N9 | C8 | N7 | C5 | 0.8° | 0.0° |
C8 | N9 | C4 | C5 | 0.3° | 0.0° |
C8 | N9 | C4 | N3 | 179.8° | 180.0° |
C4 | N9 | C8 | N7 | 0.7° | 0.0° |
C4 | N9 | C8 | H8 | 179.4° | 179.9° |
N9 | C4 | C5 | N7 | 0.2° | 0.0° |
N9 | C4 | C5 | C6 | 179.6° | 180.0° |
N9 | C4 | C5 | N3 | 179.9° | 180.0° |
N9 | C4 | N3 | C2 | 180.0° | 180.0° |
C8 | N7 | C5 | C6 | 179.2° | 180.0° |
C8 | N7 | C5 | C4 | 0.6° | 0.0° |
H8 | C8 | N7 | C5 | 179.3° | 179.9° |
N7 | C5 | C6 | C4 | 179.8° | 180.0° |
N7 | C5 | C6 | O6 | 0.3° | 0.0° |
N7 | C5 | C6 | N1 | 179.8° | 179.7° |
N7 | C5 | C4 | N3 | 179.7° | 180.0° |
C5 | C6 | O6 | N1 | 179.9° | 179.7° |
C5 | C6 | N1 | C2 | 0.2° | 0.6° |
C5 | C6 | N1 | H1 | 179.8° | 180.0° |
C6 | C5 | C4 | N3 | 0.5° | 0.0° |
C4 | C5 | C6 | O6 | 179.5° | 180.0° |
C4 | C5 | C6 | N1 | 0.4° | 0.3° |
C5 | C4 | N3 | C2 | 0.2° | 0.0° |
O6 | C6 | N1 | C2 | 179.7° | 179.7° |
O6 | C6 | N1 | H1 | 0.3° | 0.3° |
C6 | N1 | C2 | H1 | 180.0° | 179.4° |
C6 | N1 | C2 | N2 | 180.0° | 179.7° |
C6 | N1 | C2 | N3 | 0.1° | 0.6° |
N1 | C2 | N2 | N3 | 179.9° | 179.7° |
N1 | C2 | N2 | H21 | 180.0° | 179.7° |
N1 | C2 | N2 | H22 | 54.7° | 0.6° |
N1 | C2 | N3 | C4 | 0.1° | 0.3° |
H1 | N1 | C2 | N2 | 0.0° | 0.3° |
H1 | N1 | C2 | N3 | 179.9° | 180.0° |
C2 | N2 | H21 | H22 | 125.2° | 179.7° |
N2 | C2 | N3 | C4 | 180.0° | 180.0° |
N3 | C2 | N2 | H21 | 0.1° | 0.0° |
N3 | C2 | N2 | H22 | 125.3° | 179.7° |