UPS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP3 | sing | 1.61Å | 1.60Å | |
S1P | P | doub | 1.86Å | 1.48Å | |
P | OP2 | sing | 1.61Å | 1.48Å | |
P | O5' | sing | 1.61Å | 1.60Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
C5' | O5' | sing | 1.43Å | 1.41Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
C4' | C3' | sing | 1.54Å | 1.53Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.41Å | |
C2' | C1' | sing | 1.55Å | 1.53Å | |
C1' | N1 | sing | 1.46Å | 1.53Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N1 | C6 | sing | 1.37Å | 1.39Å | |
N1 | C2 | sing | 1.34Å | 1.40Å | |
O2 | C2 | doub | 1.22Å | 1.22Å | |
C2 | N3 | sing | 1.35Å | 1.38Å | |
N3 | C4 | sing | 1.35Å | 1.39Å | |
C5 | C4 | sing | 1.42Å | 1.45Å | |
C4 | O4 | doub | 1.22Å | 1.23Å | |
C6 | C5 | doub | 1.35Å | 1.35Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C3' | C2' | sing | 1.55Å | 1.54Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'A | sing | 1.09Å | 1.10Å | |
O3' | C3' | sing | 1.43Å | 1.46Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP3 | P | S1P | 106.9° | 109.5° |
OP3 | P | OP2 | 109.1° | 109.5° |
OP3 | P | O5' | 102.5° | 109.5° |
P | OP3 | HOP3 | 109.5° | 114.0° |
S1P | P | OP2 | 118.7° | 109.4° |
S1P | P | O5' | 110.2° | 109.4° |
OP2 | P | O5' | 108.2° | 109.5° |
P | OP2 | HOP2 | 109.5° | 114.0° |
P | O5' | C5' | 119.3° | 123.0° |
O5' | C5' | C4' | 109.7° | 109.5° |
O5' | C5' | H5' | 109.4° | 109.4° |
O5' | C5' | H5'A | 109.4° | 109.5° |
C4' | C5' | H5' | 109.4° | 109.5° |
C4' | C5' | H5'A | 109.3° | 109.5° |
C5' | C4' | C3' | 115.2° | 110.4° |
C5' | C4' | O4' | 107.8° | 110.4° |
C5' | C4' | H4' | 105.9° | 110.3° |
H5' | C5' | H5'A | 109.7° | 109.5° |
C3' | C4' | O4' | 106.7° | 104.8° |
C3' | C4' | H4' | 107.1° | 110.4° |
C4' | C3' | C2' | 102.9° | 104.1° |
C4' | C3' | O3' | 109.5° | 110.5° |
C4' | C3' | H3' | 115.7° | 110.5° |
O4' | C4' | H4' | 114.5° | 110.4° |
C4' | O4' | C1' | 106.3° | 105.3° |
O4' | C1' | C2' | 104.2° | 104.8° |
O4' | C1' | N1 | 109.7° | 110.4° |
O4' | C1' | H1' | 116.1° | 110.4° |
C2' | C1' | N1 | 117.8° | 110.4° |
C2' | C1' | H1' | 107.7° | 110.5° |
C1' | C2' | C3' | 104.8° | 104.0° |
C1' | C2' | H2' | 111.1° | 110.5° |
C1' | C2' | H2'A | 112.1° | 110.5° |
N1 | C1' | H1' | 101.9° | 110.3° |
C1' | N1 | C6 | 120.2° | 119.7° |
C1' | N1 | C2 | 119.3° | 119.7° |
C6 | N1 | C2 | 120.5° | 120.6° |
N1 | C6 | C5 | 123.1° | 119.7° |
N1 | C6 | H6 | 118.5° | 120.1° |
N1 | C2 | O2 | 123.8° | 119.5° |
N1 | C2 | N3 | 115.7° | 121.0° |
O2 | C2 | N3 | 120.6° | 119.5° |
C2 | N3 | C4 | 126.3° | 120.3° |
C2 | N3 | HN3 | 116.9° | 119.9° |
N3 | C4 | C5 | 115.2° | 119.4° |
N3 | C4 | O4 | 119.3° | 120.3° |
C4 | N3 | HN3 | 116.8° | 119.9° |
C5 | C4 | O4 | 125.5° | 120.3° |
C4 | C5 | C6 | 119.3° | 119.1° |
C4 | C5 | H5 | 120.3° | 120.4° |
C6 | C5 | H5 | 120.4° | 120.5° |
C5 | C6 | H6 | 118.4° | 120.1° |
C3' | C2' | H2' | 111.1° | 110.5° |
C3' | C2' | H2'A | 112.0° | 110.7° |
C2' | C3' | O3' | 115.1° | 110.5° |
C2' | C3' | H3' | 110.2° | 110.5° |
H2' | C2' | H2'A | 105.9° | 110.4° |
O3' | C3' | H3' | 103.8° | 110.6° |
C3' | O3' | HO3' | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP3 | P | S1P | OP2 | 123.8° | 120.0° |
OP3 | P | S1P | O5' | 110.7° | 120.0° |
OP3 | P | OP2 | O5' | 110.8° | 120.0° |
OP3 | P | OP2 | HOP2 | 140.3° | 60.0° |
OP3 | P | O5' | C5' | 97.9° | 75.0° |
S1P | P | OP2 | O5' | 126.5° | 120.0° |
S1P | P | OP3 | HOP3 | 177.4° | 180.0° |
S1P | P | OP2 | HOP2 | 17.6° | 60.1° |
S1P | P | O5' | C5' | 15.6° | 45.0° |
OP2 | P | OP3 | HOP3 | 47.9° | 60.0° |
OP2 | P | O5' | C5' | 146.9° | 165.0° |
O5' | P | OP3 | HOP3 | 66.6° | 60.0° |
O5' | P | OP2 | HOP2 | 108.8° | 180.0° |
P | O5' | C5' | C4' | 179.2° | 180.0° |
P | O5' | C5' | H5' | 60.8° | 60.0° |
P | O5' | C5' | H5'A | 59.3° | 60.0° |
O5' | C5' | C4' | H5' | 120.0° | 120.0° |
O5' | C5' | C4' | H5'A | 119.9° | 120.0° |
O5' | C5' | H5' | H5'A | 119.9° | 120.0° |
O5' | C5' | C4' | C3' | 75.7° | 175.0° |
O5' | C5' | C4' | O4' | 43.3° | 69.6° |
O5' | C5' | C4' | H4' | 166.3° | 52.7° |
C4' | C5' | H5' | H5'A | 119.9° | 120.0° |
C5' | C4' | C3' | O4' | 119.6° | 118.9° |
C5' | C4' | C3' | H4' | 117.4° | 122.3° |
C5' | C4' | O4' | H4' | 117.5° | 122.3° |
C5' | C4' | O4' | C1' | 159.0° | 159.4° |
C5' | C4' | C3' | C2' | 134.0° | 142.8° |
C5' | C4' | C3' | O3' | 103.1° | 98.5° |
C5' | C4' | C3' | H3' | 13.7° | 24.2° |
H5' | C5' | C4' | C3' | 44.3° | 65.0° |
H5' | C5' | C4' | O4' | 163.3° | 50.4° |
H5' | C5' | C4' | H4' | 73.8° | 172.7° |
H5'A | C5' | C4' | C3' | 164.4° | 55.0° |
H5'A | C5' | C4' | O4' | 76.6° | 170.4° |
H5'A | C5' | C4' | H4' | 46.3° | 67.3° |
C3' | C4' | O4' | H4' | 118.2° | 118.9° |
C3' | C4' | O4' | C1' | 34.8° | 40.5° |
C4' | C3' | C2' | C1' | 8.9° | 0.0° |
C4' | C3' | C2' | O3' | 119.1° | 118.7° |
C4' | C3' | C2' | H3' | 124.0° | 118.7° |
C4' | C3' | C2' | H2' | 128.9° | 118.6° |
C4' | C3' | C2' | H2'A | 112.9° | 118.7° |
C4' | C3' | O3' | H3' | 124.1° | 122.7° |
C4' | C3' | O3' | HO3' | 71.5° | 180.0° |
C4' | O4' | C1' | C2' | 40.0° | 40.5° |
C4' | O4' | C1' | N1 | 167.0° | 159.3° |
C4' | O4' | C1' | H1' | 78.2° | 78.4° |
O4' | C4' | C3' | C2' | 14.4° | 23.9° |
O4' | C4' | C3' | O3' | 137.3° | 142.6° |
O4' | C4' | C3' | H3' | 105.9° | 94.7° |
H4' | C4' | O4' | C1' | 83.5° | 78.4° |
H4' | C4' | C3' | C2' | 108.6° | 94.9° |
H4' | C4' | C3' | O3' | 14.3° | 23.7° |
H4' | C4' | C3' | H3' | 131.1° | 146.4° |
O4' | C1' | C2' | N1 | 121.7° | 118.8° |
O4' | C1' | C2' | H1' | 123.8° | 118.9° |
O4' | C1' | N1 | H1' | 123.6° | 122.3° |
O4' | C1' | N1 | C6 | 50.2° | 126.5° |
O4' | C1' | N1 | C2 | 128.8° | 53.8° |
O4' | C1' | C2' | C3' | 29.9° | 24.0° |
O4' | C1' | C2' | H2' | 149.9° | 142.6° |
O4' | C1' | C2' | H2'A | 91.9° | 94.8° |
C2' | C1' | N1 | H1' | 117.6° | 122.4° |
C2' | C1' | N1 | C6 | 68.7° | 118.2° |
C2' | C1' | N1 | C2 | 112.3° | 61.6° |
C1' | C2' | C3' | H2' | 120.0° | 118.6° |
C1' | C2' | C3' | H2'A | 121.8° | 118.7° |
C1' | C2' | H2' | H2'A | 121.9° | 122.6° |
C1' | C2' | C3' | O3' | 110.2° | 118.7° |
C1' | C2' | C3' | H3' | 132.9° | 118.7° |
C1' | N1 | C6 | C2 | 179.0° | 179.7° |
C1' | N1 | C2 | O2 | 1.0° | 0.0° |
C1' | N1 | C2 | N3 | 179.2° | 180.0° |
C1' | N1 | C6 | C5 | 179.6° | 179.8° |
C1' | N1 | C6 | H6 | 0.4° | 0.0° |
N1 | C1' | C2' | C3' | 151.6° | 142.8° |
N1 | C1' | C2' | H2' | 88.4° | 98.5° |
N1 | C1' | C2' | H2'A | 29.8° | 24.0° |
H1' | C1' | N1 | C6 | 173.8° | 4.2° |
H1' | C1' | N1 | C2 | 5.2° | 176.1° |
H1' | C1' | C2' | C3' | 94.0° | 94.9° |
H1' | C1' | C2' | H2' | 26.0° | 23.8° |
H1' | C1' | C2' | H2'A | 144.3° | 146.3° |
C6 | N1 | C2 | O2 | 180.0° | 179.7° |
C6 | N1 | C2 | N3 | 0.2° | 0.2° |
N1 | C6 | C5 | C4 | 0.8° | 0.5° |
N1 | C6 | C5 | H6 | 180.0° | 179.7° |
N1 | C6 | C5 | H5 | 179.2° | 179.8° |
N1 | C2 | O2 | N3 | 179.8° | 180.0° |
N1 | C2 | N3 | C4 | 0.0° | 0.0° |
C2 | N1 | C6 | C5 | 0.6° | 0.5° |
C2 | N1 | C6 | H6 | 179.4° | 179.8° |
N1 | C2 | N3 | HN3 | 180.0° | 180.0° |
O2 | C2 | N3 | C4 | 179.8° | 180.0° |
O2 | C2 | N3 | HN3 | 0.2° | 0.0° |
C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
C2 | N3 | C4 | C5 | 0.1° | 0.0° |
C2 | N3 | C4 | O4 | 179.6° | 180.0° |
N3 | C4 | C5 | O4 | 179.4° | 180.0° |
N3 | C4 | C5 | C6 | 0.5° | 0.3° |
N3 | C4 | C5 | H5 | 179.5° | 180.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.7° |
C4 | C5 | C6 | H6 | 179.2° | 179.7° |
C5 | C4 | N3 | HN3 | 179.9° | 180.0° |
O4 | C4 | C5 | C6 | 179.9° | 179.7° |
O4 | C4 | C5 | H5 | 0.1° | 0.0° |
O4 | C4 | N3 | HN3 | 0.4° | 0.0° |
H5 | C5 | C6 | H6 | 0.8° | 0.0° |
C3' | C2' | H2' | H2'A | 121.9° | 122.8° |
C2' | C3' | O3' | H3' | 120.5° | 122.6° |
C2' | C3' | O3' | HO3' | 173.1° | 65.3° |
H2' | C2' | C3' | O3' | 9.8° | 0.0° |
H2' | C2' | C3' | H3' | 107.1° | 122.7° |
H2'A | C2' | C3' | O3' | 128.1° | 122.6° |
H2'A | C2' | C3' | H3' | 11.2° | 0.0° |
H3' | C3' | O3' | HO3' | 52.6° | 57.3° |