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 | 1.49Å | |
P | OP2 | sing | 1.61Å | 1.49Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.55Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.55Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'' | sing | 1.09Å | 1.10Å | |
C1' | N1 | sing | 1.47Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N1 | C2 | sing | 1.35Å | 1.38Å | |
N1 | C6 | sing | 1.37Å | 1.38Å | |
C2 | O2 | doub | 1.22Å | 1.22Å | |
C2 | N3 | sing | 1.35Å | 1.37Å | |
N3 | C4 | sing | 1.35Å | 1.38Å | |
N3 | H3 | sing | 0.97Å | 1.00Å | |
C4 | O4 | doub | 1.22Å | 1.23Å | |
C4 | C5 | sing | 1.42Å | 1.45Å | |
C5 | C5M | sing | 1.51Å | 1.50Å | |
C5 | C6 | doub | 1.35Å | 1.34Å | |
C5M | H71 | sing | 1.09Å | 1.10Å | |
C5M | H72 | sing | 1.09Å | 1.10Å | |
C5M | H73 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | OP3 | HOP3 | 109.5° | 114.0° |
OP3 | P | OP1 | 107.8° | 109.5° |
OP3 | P | OP2 | 108.2° | 109.5° |
OP3 | P | O5' | 103.2° | 109.5° |
OP1 | P | OP2 | 119.5° | 109.4° |
OP1 | P | O5' | 108.2° | 109.5° |
OP2 | P | O5' | 108.6° | 109.5° |
P | OP2 | HOP2 | 109.5° | 114.0° |
P | O5' | C5' | 120.9° | 123.0° |
O5' | C5' | C4' | 110.1° | 109.4° |
O5' | C5' | H5' | 109.3° | 109.5° |
O5' | C5' | H5'' | 109.3° | 109.5° |
C4' | C5' | H5' | 109.3° | 109.5° |
C4' | C5' | H5'' | 109.3° | 109.5° |
C5' | C4' | O4' | 109.0° | 110.4° |
C5' | C4' | C3' | 115.5° | 110.3° |
C5' | C4' | H4' | 104.2° | 110.3° |
H5' | C5' | H5'' | 109.7° | 109.5° |
O4' | C4' | C3' | 104.6° | 104.8° |
O4' | C4' | H4' | 115.3° | 110.4° |
C4' | O4' | C1' | 109.8° | 105.3° |
C3' | C4' | H4' | 108.6° | 110.5° |
C4' | C3' | O3' | 110.2° | 110.5° |
C4' | C3' | C2' | 102.3° | 104.0° |
C4' | C3' | H3' | 114.0° | 110.5° |
O4' | C1' | C2' | 107.2° | 104.8° |
O4' | C1' | N1 | 107.9° | 110.4° |
O4' | C1' | H1' | 113.6° | 110.4° |
O3' | C3' | C2' | 110.8° | 110.5° |
O3' | C3' | H3' | 106.1° | 110.5° |
C3' | O3' | HO3' | 109.5° | 114.1° |
C2' | C3' | H3' | 113.5° | 110.6° |
C3' | C2' | C1' | 102.9° | 104.0° |
C3' | C2' | H2' | 111.7° | 110.5° |
C3' | C2' | H2'' | 111.7° | 110.6° |
C1' | C2' | H2' | 111.7° | 110.5° |
C1' | C2' | H2'' | 111.7° | 110.5° |
C2' | C1' | N1 | 114.0° | 110.4° |
C2' | C1' | H1' | 107.5° | 110.4° |
H2' | C2' | H2'' | 107.2° | 110.6° |
N1 | C1' | H1' | 106.8° | 110.4° |
C1' | N1 | C2 | 118.3° | 119.7° |
C1' | N1 | C6 | 120.4° | 119.6° |
C2 | N1 | C6 | 121.3° | 120.6° |
N1 | C2 | O2 | 123.1° | 119.5° |
N1 | C2 | N3 | 114.7° | 120.9° |
N1 | C6 | C5 | 123.3° | 119.7° |
N1 | C6 | H6 | 118.3° | 120.2° |
O2 | C2 | N3 | 122.2° | 119.6° |
C2 | N3 | C4 | 127.3° | 120.3° |
C2 | N3 | H3 | 116.3° | 119.8° |
C4 | N3 | H3 | 116.4° | 119.9° |
N3 | C4 | O4 | 119.8° | 120.3° |
N3 | C4 | C5 | 115.3° | 119.4° |
O4 | C4 | C5 | 125.0° | 120.3° |
C4 | C5 | C5M | 119.1° | 120.4° |
C4 | C5 | C6 | 118.2° | 119.1° |
C5M | C5 | C6 | 122.7° | 120.5° |
C5 | C5M | H71 | 109.5° | 109.5° |
C5 | C5M | H72 | 109.5° | 109.5° |
C5 | C5M | H73 | 109.5° | 109.4° |
C5 | C6 | H6 | 118.4° | 120.2° |
H71 | C5M | H72 | 109.5° | 109.5° |
H71 | C5M | H73 | 109.5° | 109.4° |
H72 | C5M | H73 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP3 | P | OP1 | OP2 | 124.1° | 119.9° |
OP3 | P | OP1 | O5' | 111.0° | 120.0° |
OP3 | P | OP2 | O5' | 111.4° | 120.0° |
OP3 | P | OP2 | HOP2 | 123.9° | 60.0° |
OP3 | P | O5' | C5' | 61.3° | 175.0° |
HOP3 | OP3 | P | OP1 | 0.0° | 60.0° |
HOP3 | OP3 | P | OP2 | 130.6° | 60.0° |
HOP3 | OP3 | P | O5' | 114.4° | 180.0° |
OP1 | P | OP2 | O5' | 124.8° | 120.0° |
OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
OP1 | P | O5' | C5' | 175.3° | 55.0° |
OP2 | P | O5' | C5' | 53.5° | 65.0° |
O5' | P | OP2 | HOP2 | 124.8° | 60.0° |
P | O5' | C5' | C4' | 90.6° | 180.0° |
P | O5' | C5' | H5' | 29.4° | 60.0° |
P | O5' | C5' | H5'' | 149.4° | 60.0° |
O5' | C5' | C4' | H5' | 120.0° | 120.0° |
O5' | C5' | C4' | H5'' | 120.0° | 120.0° |
O5' | C5' | H5' | H5'' | 119.7° | 120.0° |
O5' | C5' | C4' | O4' | 16.8° | 66.5° |
O5' | C5' | C4' | C3' | 134.2° | 178.2° |
O5' | C5' | C4' | H4' | 106.8° | 55.8° |
C4' | C5' | H5' | H5'' | 119.8° | 120.0° |
C5' | C4' | O4' | C3' | 124.1° | 118.8° |
C5' | C4' | O4' | H4' | 116.7° | 122.3° |
C5' | C4' | C3' | H4' | 116.6° | 122.3° |
C5' | C4' | O4' | C1' | 101.5° | 159.3° |
C5' | C4' | C3' | O3' | 157.3° | 98.5° |
C5' | C4' | C3' | C2' | 84.9° | 142.8° |
C5' | C4' | C3' | H3' | 38.1° | 24.1° |
H5' | C5' | C4' | O4' | 136.8° | 173.5° |
H5' | C5' | C4' | C3' | 105.8° | 58.1° |
H5' | C5' | C4' | H4' | 13.3° | 64.2° |
H5'' | C5' | C4' | O4' | 103.2° | 53.5° |
H5'' | C5' | C4' | C3' | 14.2° | 61.9° |
H5'' | C5' | C4' | H4' | 133.2° | 175.8° |
O4' | C4' | C3' | H4' | 123.6° | 118.9° |
O4' | C4' | C3' | O3' | 83.0° | 142.6° |
O4' | C4' | C3' | C2' | 34.9° | 24.0° |
O4' | C4' | C3' | H3' | 157.9° | 94.7° |
C4' | O4' | C1' | C2' | 0.8° | 40.6° |
C4' | O4' | C1' | N1 | 122.5° | 159.4° |
C4' | O4' | C1' | H1' | 119.4° | 78.3° |
C3' | C4' | O4' | C1' | 22.6° | 40.6° |
C4' | C3' | O3' | C2' | 112.5° | 114.6° |
C4' | C3' | O3' | H3' | 123.9° | 122.6° |
C4' | C3' | C2' | H3' | 123.3° | 118.7° |
C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
C4' | C3' | C2' | C1' | 33.7° | 0.0° |
C4' | C3' | C2' | H2' | 153.7° | 118.6° |
C4' | C3' | C2' | H2'' | 86.3° | 118.6° |
H4' | C4' | O4' | C1' | 141.8° | 78.4° |
H4' | C4' | C3' | O3' | 40.6° | 23.7° |
H4' | C4' | C3' | C2' | 158.5° | 94.9° |
H4' | C4' | C3' | H3' | 78.6° | 146.4° |
O4' | C1' | C2' | C3' | 21.2° | 24.0° |
O4' | C1' | C2' | N1 | 119.4° | 118.8° |
O4' | C1' | C2' | H1' | 122.5° | 118.9° |
O4' | C1' | C2' | H2' | 141.2° | 142.6° |
O4' | C1' | C2' | H2'' | 98.8° | 94.7° |
O4' | C1' | N1 | H1' | 122.5° | 122.3° |
O4' | C1' | N1 | C2 | 130.3° | 178.5° |
O4' | C1' | N1 | C6 | 49.9° | 1.2° |
O3' | C3' | C2' | H3' | 119.2° | 122.7° |
O3' | C3' | C2' | C1' | 83.8° | 118.7° |
O3' | C3' | C2' | H2' | 36.2° | 0.0° |
O3' | C3' | C2' | H2'' | 156.2° | 122.7° |
C2' | C3' | O3' | HO3' | 67.5° | 65.3° |
C3' | C2' | C1' | H2' | 120.0° | 118.6° |
C3' | C2' | C1' | H2'' | 120.0° | 118.7° |
C3' | C2' | H2' | H2'' | 122.6° | 122.7° |
C3' | C2' | C1' | N1 | 140.6° | 142.9° |
C3' | C2' | C1' | H1' | 101.3° | 94.9° |
H3' | C3' | O3' | HO3' | 56.1° | 57.4° |
H3' | C3' | C2' | C1' | 157.0° | 118.7° |
H3' | C3' | C2' | H2' | 83.0° | 122.7° |
H3' | C3' | C2' | H2'' | 37.0° | 0.0° |
C1' | C2' | H2' | H2'' | 122.7° | 122.6° |
C2' | C1' | N1 | H1' | 118.5° | 122.3° |
C2' | C1' | N1 | C2 | 110.7° | 63.1° |
C2' | C1' | N1 | C6 | 69.1° | 116.6° |
H2' | C2' | C1' | N1 | 99.4° | 98.5° |
H2' | C2' | C1' | H1' | 18.7° | 23.7° |
H2'' | C2' | C1' | N1 | 20.7° | 24.2° |
H2'' | C2' | C1' | H1' | 138.8° | 146.4° |
C1' | N1 | C2 | C6 | 179.8° | 179.7° |
C1' | N1 | C2 | O2 | 0.5° | 0.0° |
C1' | N1 | C2 | N3 | 179.5° | 180.0° |
C1' | N1 | C6 | C5 | 179.2° | 179.7° |
C1' | N1 | C6 | H6 | 0.8° | 0.1° |
H1' | C1' | N1 | C2 | 7.8° | 59.1° |
H1' | C1' | N1 | C6 | 172.3° | 121.2° |
N1 | C2 | O2 | N3 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.0° | 0.0° |
N1 | C2 | N3 | H3 | 179.9° | 180.0° |
C2 | N1 | C6 | C5 | 0.6° | 0.6° |
C2 | N1 | C6 | H6 | 179.4° | 179.7° |
C6 | N1 | C2 | O2 | 179.6° | 179.7° |
C6 | N1 | C2 | N3 | 0.4° | 0.3° |
N1 | C6 | C5 | C4 | 0.4° | 0.6° |
N1 | C6 | C5 | C5M | 178.8° | 179.7° |
N1 | C6 | C5 | H6 | 180.0° | 179.7° |
O2 | C2 | N3 | C4 | 179.9° | 180.0° |
O2 | C2 | N3 | H3 | 0.1° | 0.0° |
C2 | N3 | C4 | H3 | 180.0° | 180.0° |
C2 | N3 | C4 | O4 | 179.3° | 179.9° |
C2 | N3 | C4 | C5 | 0.2° | 0.0° |
N3 | C4 | O4 | C5 | 179.4° | 180.0° |
N3 | C4 | C5 | C5M | 179.2° | 180.0° |
N3 | C4 | C5 | C6 | 0.0° | 0.3° |
H3 | N3 | C4 | O4 | 0.7° | 0.0° |
H3 | N3 | C4 | C5 | 179.8° | 180.0° |
O4 | C4 | C5 | C5M | 0.2° | 0.0° |
O4 | C4 | C5 | C6 | 179.5° | 179.7° |
C4 | C5 | C5M | C6 | 179.2° | 179.7° |
C4 | C5 | C5M | H71 | 180.0° | 0.0° |
C4 | C5 | C5M | H72 | 60.0° | 120.0° |
C4 | C5 | C5M | H73 | 60.0° | 120.0° |
C4 | C5 | C6 | H6 | 179.6° | 179.7° |
C5 | C5M | H71 | H72 | 120.0° | 120.1° |
C5 | C5M | H71 | H73 | 120.0° | 120.0° |
C5 | C5M | H72 | H73 | 120.0° | 120.0° |
C5M | C5 | C6 | H6 | 1.2° | 0.1° |
C6 | C5 | C5M | H71 | 0.8° | 179.7° |
C6 | C5 | C5M | H72 | 120.8° | 59.6° |
C6 | C5 | C5M | H73 | 119.2° | 60.3° |
H71 | C5M | H72 | H73 | 120.0° | 120.0° |