JDT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O5' | sing | 1.61Å | 1.59Å | |
P | OP1 | doub | 1.48Å | 1.49Å | |
P | OP2 | sing | 1.61Å | 1.49Å | |
P | OP3 | sing | 1.61Å | 1.61Å | |
N1 | C2 | sing | 1.35Å | 1.38Å | |
N1 | C6 | sing | 1.37Å | 1.38Å | |
N1 | C1' | sing | 1.46Å | 1.48Å | |
C2 | O2 | doub | 1.22Å | 1.22Å | |
C2 | N3 | sing | 1.35Å | 1.37Å | |
N3 | C4 | sing | 1.35Å | 1.38Å | |
C4 | O4 | doub | 1.22Å | 1.23Å | |
C4 | C5 | sing | 1.42Å | 1.45Å | |
C5 | C6 | doub | 1.35Å | 1.34Å | |
C5 | C7 | sing | 1.51Å | 1.49Å | |
C7 | C72 | sing | 1.53Å | 1.50Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
C1' | O4' | sing | 1.44Å | 1.43Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.55Å | 1.52Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | C5' | sing | 1.53Å | 1.51Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'' | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C72 | H72A | sing | 1.09Å | 1.10Å | |
C72 | H72B | sing | 1.09Å | 1.10Å | |
C72 | H72C | sing | 1.09Å | 1.10Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5' | P | OP1 | 108.3° | 109.5° |
O5' | P | OP2 | 107.7° | 109.4° |
O5' | P | OP3 | 104.2° | 109.5° |
P | O5' | C5' | 121.3° | 123.0° |
OP1 | P | OP2 | 119.5° | 109.5° |
OP1 | P | OP3 | 108.9° | 109.5° |
OP2 | P | OP3 | 107.1° | 109.5° |
P | OP2 | HOP2 | 109.5° | 114.0° |
P | OP3 | HOP3 | 109.5° | 114.0° |
C2 | N1 | C6 | 121.4° | 120.6° |
C2 | N1 | C1' | 118.2° | 119.7° |
N1 | C2 | O2 | 123.2° | 119.5° |
N1 | C2 | N3 | 114.7° | 120.9° |
C6 | N1 | C1' | 120.4° | 119.7° |
N1 | C6 | C5 | 123.1° | 119.7° |
N1 | C6 | H6 | 118.4° | 120.1° |
N1 | C1' | C2' | 114.1° | 109.9° |
N1 | C1' | O4' | 108.2° | 109.9° |
N1 | C1' | H1' | 106.5° | 109.8° |
O2 | C2 | N3 | 122.1° | 119.5° |
C2 | N3 | C4 | 127.2° | 120.2° |
C2 | N3 | HN3 | 116.4° | 119.9° |
N3 | C4 | O4 | 119.8° | 120.3° |
N3 | C4 | C5 | 115.1° | 119.4° |
C4 | N3 | HN3 | 116.4° | 119.9° |
O4 | C4 | C5 | 125.1° | 120.3° |
C4 | C5 | C6 | 118.4° | 119.1° |
C4 | C5 | C7 | 119.4° | 120.4° |
C6 | C5 | C7 | 122.0° | 120.5° |
C5 | C6 | H6 | 118.5° | 120.2° |
C5 | C7 | C72 | 120.1° | 109.5° |
C5 | C7 | H71 | 106.1° | 109.5° |
C5 | C7 | H72 | 106.1° | 109.4° |
C72 | C7 | H71 | 106.1° | 109.5° |
C72 | C7 | H72 | 106.1° | 109.5° |
C7 | C72 | H72A | 109.4° | 109.5° |
C7 | C72 | H72B | 109.5° | 109.5° |
C7 | C72 | H72C | 109.5° | 109.4° |
C2' | C1' | O4' | 107.2° | 107.3° |
C1' | C2' | C3' | 103.9° | 104.2° |
C2' | C1' | H1' | 107.5° | 109.9° |
C1' | C2' | H2' | 111.4° | 110.5° |
C1' | C2' | H2'' | 111.4° | 110.5° |
C1' | O4' | C4' | 109.0° | 107.0° |
O4' | C1' | H1' | 113.5° | 110.0° |
C2' | C3' | O3' | 111.4° | 110.9° |
C2' | C3' | C4' | 102.4° | 102.1° |
C3' | C2' | H2' | 111.4° | 110.5° |
C3' | C2' | H2'' | 111.3° | 110.5° |
C2' | C3' | H3' | 113.1° | 110.9° |
O3' | C3' | C4' | 110.4° | 110.9° |
O3' | C3' | H3' | 105.6° | 110.8° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C3' | C4' | O4' | 103.9° | 103.5° |
C3' | C4' | C5' | 114.9° | 110.6° |
C4' | C3' | H3' | 114.1° | 111.0° |
C3' | C4' | H4' | 110.0° | 110.6° |
O4' | C4' | C5' | 110.6° | 110.6° |
O4' | C4' | H4' | 114.4° | 110.6° |
C4' | C5' | O5' | 110.1° | 109.4° |
C5' | C4' | H4' | 103.3° | 110.7° |
C4' | C5' | H5' | 109.3° | 109.5° |
C4' | C5' | H5'' | 109.3° | 109.5° |
O5' | C5' | H5' | 109.2° | 109.5° |
O5' | C5' | H5'' | 109.2° | 109.5° |
H71 | C7 | H72 | 112.6° | 109.4° |
H2' | C2' | H2'' | 107.5° | 110.5° |
H5' | C5' | H5'' | 109.7° | 109.5° |
H72A | C72 | H72B | 109.5° | 109.5° |
H72A | C72 | H72C | 109.5° | 109.5° |
H72B | C72 | H72C | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5' | P | OP1 | OP2 | 123.8° | 119.9° |
O5' | P | OP1 | OP3 | 112.8° | 120.0° |
O5' | P | OP2 | OP3 | 111.6° | 120.0° |
P | O5' | C5' | C4' | 101.1° | 180.0° |
P | O5' | C5' | H5' | 138.9° | 60.0° |
P | O5' | C5' | H5'' | 18.9° | 60.0° |
O5' | P | OP2 | HOP2 | 124.1° | 180.0° |
O5' | P | OP3 | HOP3 | 115.4° | 60.0° |
OP1 | P | OP2 | OP3 | 124.3° | 120.1° |
OP1 | P | O5' | C5' | 90.4° | 55.0° |
OP1 | P | OP2 | HOP2 | 0.0° | 60.0° |
OP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
OP2 | P | O5' | C5' | 139.0° | 175.0° |
OP2 | P | OP3 | HOP3 | 130.6° | 60.0° |
OP3 | P | O5' | C5' | 25.4° | 65.0° |
OP3 | P | OP2 | HOP2 | 124.3° | 60.0° |
C2 | N1 | C6 | C1' | 179.6° | 179.8° |
N1 | C2 | O2 | N3 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.0° | 0.0° |
C2 | N1 | C6 | C5 | 0.9° | 0.1° |
C2 | N1 | C1' | C2' | 98.4° | 65.0° |
C2 | N1 | C1' | O4' | 142.4° | 52.8° |
N1 | C2 | N3 | HN3 | 180.0° | 180.0° |
C2 | N1 | C6 | H6 | 179.2° | 180.0° |
C2 | N1 | C1' | H1' | 20.0° | 174.0° |
C6 | N1 | C2 | O2 | 179.7° | 180.0° |
C6 | N1 | C2 | N3 | 0.3° | 0.0° |
N1 | C6 | C5 | C4 | 1.0° | 0.1° |
N1 | C6 | C5 | H6 | 180.0° | 179.9° |
N1 | C6 | C5 | C7 | 174.0° | 180.0° |
C6 | N1 | C1' | C2' | 81.2° | 114.7° |
C6 | N1 | C1' | O4' | 37.9° | 127.4° |
C6 | N1 | C1' | H1' | 160.3° | 6.2° |
C1' | N1 | C2 | O2 | 0.6° | 0.2° |
C1' | N1 | C2 | N3 | 179.3° | 179.7° |
C1' | N1 | C6 | C5 | 178.8° | 179.7° |
N1 | C1' | C2' | O4' | 119.7° | 119.5° |
N1 | C1' | C2' | H1' | 117.9° | 121.0° |
N1 | C1' | O4' | H1' | 118.0° | 121.1° |
N1 | C1' | C2' | C3' | 108.1° | 121.5° |
N1 | C1' | O4' | C4' | 135.6° | 145.9° |
C1' | N1 | C6 | H6 | 1.2° | 0.2° |
N1 | C1' | C2' | H2' | 131.9° | 119.8° |
N1 | C1' | C2' | H2'' | 11.9° | 2.8° |
O2 | C2 | N3 | C4 | 180.0° | 180.0° |
O2 | C2 | N3 | HN3 | 0.0° | 0.0° |
C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
C2 | N3 | C4 | O4 | 179.0° | 180.0° |
C2 | N3 | C4 | C5 | 0.2° | 0.0° |
N3 | C4 | O4 | C5 | 179.2° | 179.9° |
N3 | C4 | C5 | C6 | 0.7° | 0.1° |
N3 | C4 | C5 | C7 | 174.5° | 180.0° |
O4 | C4 | C5 | C6 | 178.5° | 180.0° |
O4 | C4 | C5 | C7 | 6.3° | 0.1° |
O4 | C4 | N3 | HN3 | 1.0° | 0.1° |
C4 | C5 | C6 | C7 | 175.0° | 179.9° |
C4 | C5 | C7 | C72 | 98.6° | 85.0° |
C5 | C4 | N3 | HN3 | 179.8° | 180.0° |
C4 | C5 | C6 | H6 | 179.0° | 180.0° |
C4 | C5 | C7 | H71 | 21.4° | 35.1° |
C4 | C5 | C7 | H72 | 141.4° | 155.0° |
C6 | C5 | C7 | C72 | 76.3° | 94.9° |
C6 | C5 | C7 | H71 | 163.7° | 145.0° |
C6 | C5 | C7 | H72 | 43.7° | 25.1° |
C5 | C7 | C72 | H71 | 120.0° | 120.0° |
C5 | C7 | C72 | H72 | 120.0° | 119.9° |
C7 | C5 | C6 | H6 | 6.0° | 0.1° |
C5 | C7 | H71 | H72 | 115.6° | 119.9° |
C5 | C7 | C72 | H72A | 60.0° | 180.0° |
C5 | C7 | C72 | H72B | 60.0° | 59.9° |
C5 | C7 | C72 | H72C | 180.0° | 60.0° |
C72 | C7 | H71 | H72 | 115.6° | 120.0° |
C7 | C72 | H72A | H72B | 120.0° | 120.0° |
C7 | C72 | H72A | H72C | 120.0° | 120.0° |
C7 | C72 | H72B | H72C | 120.0° | 119.9° |
C2' | C1' | O4' | H1' | 118.6° | 119.5° |
C1' | C2' | C3' | H2' | 120.0° | 118.7° |
C1' | C2' | C3' | H2'' | 120.0° | 118.7° |
C1' | C2' | C3' | O3' | 147.2° | 139.1° |
C1' | C2' | C3' | C4' | 29.3° | 20.9° |
C2' | C1' | O4' | C4' | 12.1° | 26.5° |
C1' | C2' | H2' | H2'' | 122.3° | 122.6° |
C1' | C2' | C3' | H3' | 94.0° | 97.4° |
O4' | C1' | C2' | C3' | 11.6° | 2.0° |
C1' | O4' | C4' | C3' | 31.0° | 40.0° |
C1' | O4' | C4' | C5' | 154.9° | 158.5° |
O4' | C1' | C2' | H2' | 108.4° | 120.7° |
O4' | C1' | C2' | H2'' | 131.6° | 116.7° |
C1' | O4' | C4' | H4' | 89.0° | 78.5° |
C2' | C3' | O3' | C4' | 113.1° | 112.7° |
C2' | C3' | O3' | H3' | 123.2° | 123.6° |
C2' | C3' | C4' | H3' | 122.6° | 118.2° |
C2' | C3' | C4' | O4' | 37.0° | 37.0° |
C2' | C3' | C4' | C5' | 158.0° | 155.5° |
C3' | C2' | C1' | H1' | 134.0° | 117.6° |
C3' | C2' | H2' | H2'' | 122.2° | 122.6° |
C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
C2' | C3' | C4' | H4' | 86.0° | 81.5° |
O3' | C3' | C4' | H3' | 118.7° | 123.6° |
O3' | C3' | C4' | O4' | 155.7° | 155.2° |
O3' | C3' | C4' | C5' | 83.3° | 86.3° |
O3' | C3' | C2' | H2' | 27.2° | 20.4° |
O3' | C3' | C2' | H2'' | 92.7° | 102.2° |
O3' | C3' | C4' | H4' | 32.7° | 36.7° |
C3' | C4' | O4' | C5' | 123.9° | 118.5° |
C3' | C4' | O4' | H4' | 120.0° | 118.5° |
C3' | C4' | C5' | H4' | 119.9° | 123.0° |
C3' | C4' | C5' | O5' | 134.9° | 175.0° |
C4' | C3' | C2' | H2' | 90.7° | 97.8° |
C4' | C3' | C2' | H2'' | 149.3° | 139.6° |
C4' | C3' | O3' | HO3' | 66.9° | 174.1° |
C3' | C4' | C5' | H5' | 14.9° | 55.0° |
C3' | C4' | C5' | H5'' | 105.1° | 65.0° |
O4' | C4' | C5' | H4' | 122.8° | 123.0° |
O4' | C4' | C5' | O5' | 107.8° | 70.9° |
C4' | O4' | C1' | H1' | 106.4° | 93.0° |
O4' | C4' | C3' | H3' | 85.7° | 81.2° |
O4' | C4' | C5' | H5' | 132.2° | 169.1° |
O4' | C4' | C5' | H5'' | 12.2° | 49.0° |
C4' | C5' | O5' | H5' | 120.0° | 120.0° |
C4' | C5' | O5' | H5'' | 120.0° | 120.0° |
C5' | C4' | C3' | H3' | 35.4° | 37.3° |
C4' | C5' | H5' | H5'' | 119.7° | 120.0° |
O5' | C5' | C4' | H4' | 15.0° | 52.0° |
O5' | C5' | H5' | H5'' | 119.7° | 120.0° |
H71 | C7 | C72 | H72A | 180.0° | 60.0° |
H71 | C7 | C72 | H72B | 60.0° | 180.0° |
H71 | C7 | C72 | H72C | 60.0° | 60.0° |
H72 | C7 | C72 | H72A | 60.0° | 60.0° |
H72 | C7 | C72 | H72B | 180.0° | 60.0° |
H72 | C7 | C72 | H72C | 60.0° | 179.9° |
H1' | C1' | C2' | H2' | 14.0° | 1.1° |
H1' | C1' | C2' | H2'' | 106.0° | 123.7° |
H2' | C2' | C3' | H3' | 146.0° | 143.9° |
H2'' | C2' | C3' | H3' | 26.0° | 21.3° |
H3' | C3' | O3' | HO3' | 56.8° | 62.1° |
H3' | C3' | C4' | H4' | 151.4° | 160.3° |
H4' | C4' | C5' | H5' | 105.0° | 67.9° |
H4' | C4' | C5' | H5'' | 135.0° | 172.0° |
H72A | C72 | H72B | H72C | 120.0° | 120.0° |