D4M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP2 | P | sing | 1.61Å | 1.55Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
P | OP1 | doub | 1.48Å | 1.60Å | |
P | OP3 | sing | 1.61Å | 1.54Å | |
P | O5' | sing | 1.61Å | 1.63Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.46Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C5' | H5' | sing | 1.09Å | 1.12Å | |
C5' | H5'' | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.49Å | |
C4' | C3' | sing | 1.51Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.47Å | |
C3' | C2' | doub | 1.31Å | 1.33Å | |
C3' | H3' | sing | 1.08Å | 1.10Å | |
C2' | C1' | sing | 1.51Å | 1.54Å | |
C2' | H2' | sing | 1.08Å | 1.10Å | |
C1' | N1 | sing | 1.47Å | 1.49Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N1 | C6 | sing | 1.37Å | 1.42Å | |
N1 | C2 | sing | 1.35Å | 1.43Å | |
C6 | C5 | doub | 1.35Å | 1.39Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C5 | C5M | sing | 1.51Å | 1.53Å | |
C5 | C4 | sing | 1.42Å | 1.42Å | |
C5M | H71 | sing | 1.09Å | 1.12Å | |
C5M | H72 | sing | 1.09Å | 1.11Å | |
C5M | H73 | sing | 1.09Å | 1.11Å | |
C4 | O4 | doub | 1.22Å | 1.25Å | |
C4 | N3 | sing | 1.35Å | 1.37Å | |
N3 | C2 | sing | 1.35Å | 1.38Å | |
N3 | H3 | sing | 0.97Å | 1.02Å | |
C2 | O2 | doub | 1.22Å | 1.23Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | OP2 | HOP2 | 106.9° | 106.8° |
OP2 | P | OP1 | 106.9° | 109.4° |
OP2 | P | OP3 | 117.7° | 109.5° |
OP2 | P | O5' | 104.5° | 109.5° |
OP1 | P | OP3 | 106.5° | 109.5° |
OP1 | P | O5' | 110.7° | 109.5° |
OP3 | P | O5' | 110.4° | 109.5° |
P | OP3 | HOP3 | 117.7° | 106.7° |
P | O5' | C5' | 118.9° | 106.8° |
O5' | C5' | C4' | 104.5° | 109.4° |
O5' | C5' | H5' | 114.1° | 109.5° |
O5' | C5' | H5'' | 114.1° | 109.5° |
C4' | C5' | H5' | 114.1° | 109.4° |
C4' | C5' | H5'' | 114.1° | 109.4° |
C5' | C4' | O4' | 105.9° | 110.2° |
C5' | C4' | C3' | 110.6° | 110.3° |
C5' | C4' | H4' | 110.6° | 110.1° |
H5' | C5' | H5'' | 96.3° | 109.5° |
O4' | C4' | C3' | 108.1° | 105.7° |
O4' | C4' | H4' | 113.0° | 110.2° |
C4' | O4' | C1' | 105.8° | 103.7° |
C3' | C4' | H4' | 108.6° | 110.2° |
C4' | C3' | C2' | 108.2° | 108.4° |
C4' | C3' | H3' | 131.3° | 125.8° |
O4' | C1' | C2' | 106.1° | 105.8° |
O4' | C1' | N1 | 110.6° | 110.2° |
O4' | C1' | H1' | 111.9° | 110.2° |
C2' | C3' | H3' | 120.5° | 125.8° |
C3' | C2' | C1' | 111.1° | 108.3° |
C3' | C2' | H2' | 118.3° | 125.8° |
C1' | C2' | H2' | 130.6° | 125.9° |
C2' | C1' | N1 | 112.2° | 110.2° |
C2' | C1' | H1' | 110.3° | 110.2° |
N1 | C1' | H1' | 105.7° | 110.2° |
C1' | N1 | C6 | 121.0° | 119.7° |
C1' | N1 | C2 | 120.9° | 119.7° |
C6 | N1 | C2 | 118.1° | 120.6° |
N1 | C6 | C5 | 120.4° | 119.7° |
N1 | C6 | H6 | 120.7° | 120.2° |
N1 | C2 | N3 | 119.5° | 120.9° |
N1 | C2 | O2 | 123.4° | 119.6° |
C5 | C6 | H6 | 118.9° | 120.2° |
C6 | C5 | C5M | 118.3° | 120.5° |
C6 | C5 | C4 | 120.6° | 119.2° |
C5M | C5 | C4 | 121.0° | 120.4° |
C5 | C5M | H71 | 118.3° | 109.5° |
C5 | C5M | H72 | 109.0° | 109.5° |
C5 | C5M | H73 | 109.0° | 109.5° |
C5 | C4 | O4 | 125.3° | 120.4° |
C5 | C4 | N3 | 118.3° | 119.3° |
H71 | C5M | H72 | 108.9° | 109.5° |
H71 | C5M | H73 | 109.0° | 109.4° |
H72 | C5M | H73 | 101.1° | 109.5° |
O4 | C4 | N3 | 116.4° | 120.3° |
C4 | N3 | C2 | 123.1° | 120.3° |
C4 | N3 | H3 | 118.2° | 119.8° |
C2 | N3 | H3 | 118.7° | 119.9° |
N3 | C2 | O2 | 117.1° | 119.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP2 | P | OP1 | OP3 | 126.6° | 120.0° |
OP2 | P | OP1 | O5' | 113.3° | 120.0° |
OP2 | P | OP3 | O5' | 119.9° | 120.0° |
OP2 | P | OP3 | HOP3 | 180.0° | 60.0° |
OP2 | P | O5' | C5' | 152.3° | 65.0° |
HOP2 | OP2 | P | OP1 | 180.0° | 180.0° |
HOP2 | OP2 | P | OP3 | 60.4° | 60.0° |
HOP2 | OP2 | P | O5' | 62.6° | 60.0° |
OP1 | P | OP3 | O5' | 120.2° | 120.0° |
OP1 | P | OP3 | HOP3 | 60.1° | 60.0° |
OP1 | P | O5' | C5' | 92.9° | 55.0° |
OP3 | P | O5' | C5' | 24.8° | 175.0° |
O5' | P | OP3 | HOP3 | 60.1° | 180.0° |
P | O5' | C5' | C4' | 141.6° | 180.0° |
P | O5' | C5' | H5' | 93.1° | 60.0° |
P | O5' | C5' | H5'' | 16.4° | 60.1° |
O5' | C5' | C4' | H5' | 125.3° | 120.0° |
O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
O5' | C5' | H5' | H5'' | 120.0° | 120.0° |
O5' | C5' | C4' | O4' | 68.6° | 66.5° |
O5' | C5' | C4' | C3' | 174.5° | 177.2° |
O5' | C5' | C4' | H4' | 54.2° | 55.3° |
C4' | C5' | H5' | H5'' | 120.0° | 120.0° |
C5' | C4' | O4' | C3' | 118.6° | 119.1° |
C5' | C4' | O4' | H4' | 121.3° | 121.7° |
C5' | C4' | C3' | H4' | 121.6° | 121.8° |
C5' | C4' | O4' | C1' | 127.5° | 146.4° |
C5' | C4' | C3' | C2' | 122.0° | 136.5° |
C5' | C4' | C3' | H3' | 57.9° | 43.5° |
H5' | C5' | C4' | O4' | 56.6° | 173.5° |
H5' | C5' | C4' | C3' | 60.2° | 57.2° |
H5' | C5' | C4' | H4' | 179.4° | 64.7° |
H5'' | C5' | C4' | O4' | 166.1° | 53.5° |
H5'' | C5' | C4' | C3' | 49.2° | 62.8° |
H5'' | C5' | C4' | H4' | 71.1° | 175.3° |
O4' | C4' | C3' | H4' | 122.9° | 119.1° |
O4' | C4' | C3' | C2' | 6.5° | 17.4° |
O4' | C4' | C3' | H3' | 173.4° | 162.5° |
C4' | O4' | C1' | C2' | 7.9° | 27.3° |
C4' | O4' | C1' | N1 | 129.8° | 146.3° |
C4' | O4' | C1' | H1' | 112.5° | 91.8° |
C3' | C4' | O4' | C1' | 8.9° | 27.3° |
C4' | C3' | C2' | H3' | 180.0° | 180.0° |
C4' | C3' | C2' | C1' | 1.4° | 0.1° |
C4' | C3' | C2' | H2' | 178.6° | 180.0° |
H4' | C4' | O4' | C1' | 111.3° | 91.8° |
H4' | C4' | C3' | C2' | 116.4° | 101.7° |
H4' | C4' | C3' | H3' | 63.6° | 78.3° |
O4' | C1' | C2' | C3' | 4.2° | 17.3° |
O4' | C1' | C2' | N1 | 120.9° | 119.1° |
O4' | C1' | C2' | H1' | 121.4° | 119.1° |
O4' | C1' | C2' | H2' | 175.8° | 162.6° |
O4' | C1' | N1 | H1' | 121.4° | 121.8° |
O4' | C1' | N1 | C6 | 64.2° | 127.5° |
O4' | C1' | N1 | C2 | 116.7° | 52.5° |
C3' | C2' | C1' | H2' | 180.0° | 179.9° |
C3' | C2' | C1' | N1 | 125.1° | 136.4° |
C3' | C2' | C1' | H1' | 117.3° | 101.8° |
H3' | C3' | C2' | C1' | 178.5° | 179.9° |
H3' | C3' | C2' | H2' | 1.4° | 0.0° |
C2' | C1' | N1 | H1' | 120.3° | 121.8° |
C2' | C1' | N1 | C6 | 54.1° | 116.1° |
C2' | C1' | N1 | C2 | 125.1° | 63.9° |
H2' | C2' | C1' | N1 | 54.9° | 43.6° |
H2' | C2' | C1' | H1' | 62.8° | 78.3° |
C1' | N1 | C6 | C2 | 179.2° | 180.0° |
C1' | N1 | C6 | C5 | 179.8° | 180.0° |
C1' | N1 | C6 | H6 | 0.2° | 0.0° |
C1' | N1 | C2 | N3 | 179.0° | 180.0° |
C1' | N1 | C2 | O2 | 0.3° | 0.0° |
H1' | C1' | N1 | C6 | 174.4° | 5.7° |
H1' | C1' | N1 | C2 | 4.7° | 174.3° |
N1 | C6 | C5 | H6 | 180.0° | 179.9° |
N1 | C6 | C5 | C5M | 177.7° | 180.0° |
N1 | C6 | C5 | C4 | 1.1° | 0.3° |
C6 | N1 | C2 | N3 | 0.2° | 0.0° |
C6 | N1 | C2 | O2 | 178.9° | 180.0° |
C2 | N1 | C6 | C5 | 1.1° | 0.0° |
C2 | N1 | C6 | H6 | 178.9° | 180.0° |
N1 | C2 | N3 | C4 | 1.4° | 0.2° |
N1 | C2 | N3 | O2 | 178.8° | 180.0° |
N1 | C2 | N3 | H3 | 178.6° | 179.9° |
C6 | C5 | C5M | C4 | 178.8° | 179.7° |
C6 | C5 | C5M | H71 | 180.0° | 90.0° |
C6 | C5 | C5M | H72 | 54.8° | 150.0° |
C6 | C5 | C5M | H73 | 54.7° | 29.9° |
C6 | C5 | C4 | O4 | 178.8° | 179.9° |
C6 | C5 | C4 | N3 | 0.0° | 0.5° |
H6 | C6 | C5 | C5M | 2.4° | 0.1° |
H6 | C6 | C5 | C4 | 178.9° | 179.8° |
C5 | C5M | H71 | H72 | 125.2° | 120.0° |
C5 | C5M | H71 | H73 | 125.3° | 120.0° |
C5 | C5M | H72 | H73 | 114.8° | 120.0° |
C5M | C5 | C4 | O4 | 0.1° | 0.2° |
C5M | C5 | C4 | N3 | 178.8° | 179.8° |
C4 | C5 | C5M | H71 | 1.2° | 90.3° |
C4 | C5 | C5M | H72 | 124.0° | 29.7° |
C4 | C5 | C5M | H73 | 126.5° | 149.8° |
C5 | C4 | O4 | N3 | 178.9° | 179.6° |
C5 | C4 | N3 | C2 | 1.3° | 0.5° |
C5 | C4 | N3 | H3 | 178.7° | 179.8° |
H71 | C5M | H72 | H73 | 114.8° | 120.0° |
O4 | C4 | N3 | C2 | 177.6° | 179.9° |
O4 | C4 | N3 | H3 | 2.4° | 0.2° |
C4 | N3 | C2 | H3 | 180.0° | 179.7° |
C4 | N3 | C2 | O2 | 179.8° | 179.8° |
H3 | N3 | C2 | O2 | 0.2° | 0.1° |