XTR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
C4' | C6' | sing | 1.50Å | 1.50Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C7' | C6' | doub | 1.29Å | 1.34Å | |
C7' | H7' | sing | 1.08Å | 1.08Å | |
C6' | H6' | sing | 1.08Å | 1.08Å | |
C1' | C7' | sing | 1.50Å | 1.51Å | |
C1' | N1 | sing | 1.47Å | 1.47Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C4 | O4 | doub | 1.22Å | 1.22Å | |
C5 | C4 | sing | 1.42Å | 1.44Å | |
C5 | C5M | sing | 1.51Å | 1.50Å | |
C5M | H5M | sing | 1.09Å | 1.10Å | |
C5M | H5MA | sing | 1.09Å | 1.10Å | |
C5M | H5MB | sing | 1.09Å | 1.10Å | |
C6 | C5 | doub | 1.35Å | 1.33Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
N3 | C4 | sing | 1.35Å | 1.38Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C2 | N3 | sing | 1.35Å | 1.37Å | |
O2 | C2 | doub | 1.22Å | 1.22Å | |
N1 | C6 | sing | 1.37Å | 1.38Å | |
N1 | C2 | sing | 1.35Å | 1.38Å | |
C2' | C1' | sing | 1.53Å | 1.54Å | |
C2' | C3' | sing | 1.53Å | 1.48Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'A | sing | 1.09Å | 1.10Å | |
C3' | C4' | sing | 1.53Å | 1.51Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
P | OP3 | sing | 1.61Å | 1.61Å | |
P | OP1 | doub | 1.48Å | 1.49Å | |
OP2 | P | sing | 1.61Å | 1.48Å | |
O5' | P | sing | 1.61Å | 1.58Å | |
C5' | C4' | sing | 1.53Å | 1.50Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
O3' | C3' | sing | 1.43Å | 1.43Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
HOP3 | OP3 | P | 109.5° | 114.0° |
C6' | C4' | H4' | 107.4° | 109.3° |
C4' | C6' | C7' | 122.9° | 124.1° |
C4' | C6' | H6' | 118.6° | 118.0° |
C6' | C4' | C3' | 108.6° | 110.1° |
C6' | C4' | C5' | 111.6° | 109.3° |
H4' | C4' | C3' | 113.4° | 109.4° |
H4' | C4' | C5' | 110.4° | 109.4° |
C6' | C7' | H7' | 118.2° | 117.9° |
C7' | C6' | H6' | 118.5° | 118.0° |
C6' | C7' | C1' | 123.6° | 124.1° |
H7' | C7' | C1' | 118.2° | 118.0° |
C7' | C1' | N1 | 101.8° | 109.4° |
C7' | C1' | H1' | 113.4° | 109.4° |
C7' | C1' | C2' | 114.0° | 110.1° |
N1 | C1' | H1' | 113.3° | 109.3° |
C1' | N1 | C6 | 120.9° | 119.6° |
C1' | N1 | C2 | 118.7° | 119.7° |
N1 | C1' | C2' | 114.0° | 109.4° |
H1' | C1' | C2' | 100.9° | 109.2° |
O4 | C4 | C5 | 124.9° | 120.3° |
O4 | C4 | N3 | 120.1° | 120.3° |
C4 | C5 | C5M | 119.3° | 120.5° |
C4 | C5 | C6 | 117.0° | 119.1° |
C5 | C4 | N3 | 115.0° | 119.4° |
C5 | C5M | H5M | 109.5° | 109.5° |
C5 | C5M | H5MA | 109.5° | 109.5° |
C5 | C5M | H5MB | 109.4° | 109.5° |
C5M | C5 | C6 | 123.7° | 120.4° |
H5M | C5M | H5MA | 109.4° | 109.4° |
H5M | C5M | H5MB | 109.5° | 109.4° |
H5MA | C5M | H5MB | 109.5° | 109.5° |
C5 | C6 | H6 | 117.3° | 120.1° |
C5 | C6 | N1 | 125.4° | 119.7° |
H6 | C6 | N1 | 117.3° | 120.2° |
C4 | N3 | HN3 | 115.8° | 119.9° |
C4 | N3 | C2 | 128.4° | 120.3° |
HN3 | N3 | C2 | 115.8° | 119.8° |
N3 | C2 | O2 | 121.3° | 119.5° |
N3 | C2 | N1 | 113.7° | 120.9° |
O2 | C2 | N1 | 125.0° | 119.5° |
C6 | N1 | C2 | 120.4° | 120.6° |
C1' | C2' | C3' | 104.7° | 108.5° |
C1' | C2' | H2' | 111.1° | 109.6° |
C1' | C2' | H2'A | 112.1° | 109.6° |
C3' | C2' | H2' | 111.1° | 109.7° |
C3' | C2' | H2'A | 112.1° | 109.7° |
C2' | C3' | C4' | 120.9° | 108.4° |
C2' | C3' | H3' | 107.9° | 109.7° |
C2' | C3' | O3' | 104.5° | 109.7° |
H2' | C2' | H2'A | 105.9° | 109.7° |
C4' | C3' | H3' | 93.4° | 109.6° |
C3' | C4' | C5' | 105.5° | 109.2° |
C4' | C3' | O3' | 116.2° | 109.6° |
H3' | C3' | O3' | 113.7° | 109.8° |
OP3 | P | OP1 | 111.4° | 109.5° |
OP3 | P | OP2 | 102.1° | 109.4° |
OP3 | P | O5' | 104.5° | 109.5° |
OP1 | P | OP2 | 120.9° | 109.5° |
OP1 | P | O5' | 106.1° | 109.5° |
OP2 | P | O5' | 110.6° | 109.4° |
P | OP2 | HOP2 | 109.5° | 114.1° |
P | O5' | C5' | 115.9° | 123.0° |
C4' | C5' | O5' | 110.8° | 109.4° |
C4' | C5' | H5' | 109.0° | 109.5° |
C4' | C5' | H5'A | 108.7° | 109.5° |
O5' | C5' | H5' | 109.0° | 109.5° |
O5' | C5' | H5'A | 108.7° | 109.5° |
H5' | C5' | H5'A | 110.5° | 109.5° |
C3' | O3' | HO3' | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
HOP3 | OP3 | P | OP1 | 168.0° | 60.0° |
HOP3 | OP3 | P | OP2 | 61.5° | 60.0° |
HOP3 | OP3 | P | O5' | 53.8° | 180.0° |
C6' | C4' | H4' | C3' | 120.0° | 120.6° |
C6' | C4' | H4' | C5' | 121.9° | 119.7° |
C4' | C6' | C7' | H6' | 180.0° | 179.9° |
C4' | C6' | C7' | H7' | 178.3° | 179.5° |
C4' | C6' | C7' | C1' | 1.7° | 0.5° |
C6' | C4' | C3' | C2' | 41.8° | 49.4° |
C6' | C4' | C3' | C5' | 119.7° | 120.1° |
C6' | C4' | C3' | H3' | 155.0° | 70.3° |
C6' | C4' | C5' | O5' | 69.5° | 65.0° |
C6' | C4' | C5' | H5' | 170.5° | 175.0° |
C6' | C4' | C5' | H5'A | 49.9° | 55.0° |
C6' | C4' | C3' | O3' | 86.4° | 169.1° |
H4' | C4' | C6' | C7' | 130.4° | 103.0° |
H4' | C4' | C6' | H6' | 49.6° | 76.9° |
H4' | C4' | C3' | C2' | 161.1° | 70.7° |
H4' | C4' | C3' | C5' | 120.9° | 119.7° |
H4' | C4' | C3' | H3' | 85.7° | 169.6° |
H4' | C4' | C5' | O5' | 49.9° | 54.7° |
H4' | C4' | C5' | H5' | 70.1° | 65.3° |
H4' | C4' | C5' | H5'A | 169.4° | 174.7° |
H4' | C4' | C3' | O3' | 32.9° | 49.0° |
C6' | C7' | H7' | C1' | 180.0° | 180.0° |
C6' | C7' | C1' | N1 | 141.7° | 103.1° |
C6' | C7' | C1' | H1' | 96.2° | 137.2° |
C6' | C7' | C1' | C2' | 18.5° | 17.1° |
C7' | C6' | C4' | C3' | 7.4° | 17.2° |
C7' | C6' | C4' | C5' | 108.4° | 137.2° |
H7' | C7' | C6' | H6' | 1.7° | 0.4° |
H7' | C7' | C1' | N1 | 38.3° | 76.9° |
H7' | C7' | C1' | H1' | 83.8° | 42.8° |
H7' | C7' | C1' | C2' | 161.5° | 162.9° |
H6' | C6' | C7' | C1' | 178.3° | 179.6° |
H6' | C6' | C4' | C3' | 172.6° | 163.0° |
H6' | C6' | C4' | C5' | 71.6° | 42.9° |
C7' | C1' | N1 | H1' | 122.1° | 119.8° |
C7' | C1' | N1 | C2' | 123.2° | 120.7° |
C7' | C1' | H1' | C2' | 122.3° | 120.6° |
C7' | C1' | N1 | C6 | 79.4° | 50.0° |
C7' | C1' | N1 | C2 | 100.7° | 129.8° |
C7' | C1' | C2' | C3' | 44.2° | 49.4° |
C7' | C1' | C2' | H2' | 164.2° | 70.3° |
C7' | C1' | C2' | H2'A | 77.6° | 169.2° |
N1 | C1' | H1' | C2' | 122.3° | 119.6° |
C1' | N1 | C6 | C5 | 179.8° | 180.0° |
C1' | N1 | C6 | H6 | 0.2° | 0.0° |
C1' | N1 | C2 | N3 | 179.8° | 180.0° |
C1' | N1 | C2 | O2 | 0.0° | 0.0° |
C1' | N1 | C6 | C2 | 179.9° | 179.8° |
N1 | C1' | C2' | C3' | 160.5° | 70.8° |
N1 | C1' | C2' | H2' | 79.5° | 169.5° |
N1 | C1' | C2' | H2'A | 38.8° | 48.9° |
H1' | C1' | N1 | C6 | 158.5° | 169.8° |
H1' | C1' | N1 | C2 | 21.4° | 10.0° |
H1' | C1' | C2' | C3' | 77.7° | 169.6° |
H1' | C1' | C2' | H2' | 42.3° | 49.9° |
H1' | C1' | C2' | H2'A | 160.5° | 70.6° |
O4 | C4 | C5 | N3 | 179.4° | 179.8° |
O4 | C4 | C5 | C5M | 0.3° | 0.0° |
O4 | C4 | C5 | C6 | 180.0° | 179.9° |
O4 | C4 | N3 | HN3 | 0.1° | 0.0° |
O4 | C4 | N3 | C2 | 179.9° | 180.0° |
C4 | C5 | C5M | C6 | 179.7° | 179.9° |
C4 | C5 | C5M | H5M | 79.9° | 0.0° |
C4 | C5 | C5M | H5MA | 160.1° | 120.0° |
C4 | C5 | C5M | H5MB | 40.1° | 120.0° |
C4 | C5 | C6 | H6 | 179.7° | 180.0° |
C5 | C4 | N3 | HN3 | 179.3° | 179.8° |
C5 | C4 | N3 | C2 | 0.7° | 0.2° |
C4 | C5 | C6 | N1 | 0.3° | 0.0° |
C5 | C5M | H5M | H5MA | 120.0° | 120.0° |
C5 | C5M | H5M | H5MB | 120.0° | 120.0° |
C5 | C5M | H5MA | H5MB | 120.0° | 120.1° |
C5M | C5 | C6 | H6 | 0.0° | 0.1° |
C5M | C5 | C4 | N3 | 179.8° | 179.7° |
C5M | C5 | C6 | N1 | 180.0° | 179.9° |
H5M | C5M | H5MA | H5MB | 120.0° | 119.9° |
H5M | C5M | C5 | C6 | 99.7° | 179.9° |
H5MA | C5M | C5 | C6 | 20.2° | 59.9° |
H5MB | C5M | C5 | C6 | 140.3° | 60.1° |
C5 | C6 | H6 | N1 | 180.0° | 180.0° |
C6 | C5 | C4 | N3 | 0.5° | 0.2° |
C5 | C6 | N1 | C2 | 0.1° | 0.3° |
H6 | C6 | N1 | C2 | 179.9° | 179.8° |
C4 | N3 | HN3 | C2 | 180.0° | 180.0° |
C4 | N3 | C2 | O2 | 179.8° | 180.0° |
C4 | N3 | C2 | N1 | 0.5° | 0.0° |
HN3 | N3 | C2 | O2 | 0.2° | 0.0° |
HN3 | N3 | C2 | N1 | 179.5° | 180.0° |
N3 | C2 | O2 | N1 | 179.7° | 180.0° |
N3 | C2 | N1 | C6 | 0.2° | 0.2° |
O2 | C2 | N1 | C6 | 179.9° | 179.8° |
C6 | N1 | C1' | C2' | 43.8° | 70.7° |
C2 | N1 | C1' | C2' | 136.1° | 109.6° |
C1' | C2' | C3' | H2' | 120.0° | 119.7° |
C1' | C2' | C3' | H2'A | 121.8° | 119.7° |
C1' | C2' | H2' | H2'A | 121.9° | 120.5° |
C1' | C2' | C3' | C4' | 60.0° | 67.4° |
C1' | C2' | C3' | H3' | 165.4° | 52.3° |
C1' | C2' | C3' | O3' | 73.2° | 172.9° |
C3' | C2' | H2' | H2'A | 121.9° | 120.5° |
C2' | C3' | C4' | H3' | 113.2° | 119.7° |
C2' | C3' | C4' | O3' | 128.2° | 119.7° |
C2' | C3' | H3' | O3' | 115.4° | 120.6° |
C2' | C3' | C4' | C5' | 77.9° | 169.5° |
C2' | C3' | O3' | HO3' | 62.6° | 60.0° |
H2' | C2' | C3' | C4' | 180.0° | 52.3° |
H2' | C2' | C3' | H3' | 74.6° | 172.0° |
H2' | C2' | C3' | O3' | 46.8° | 67.4° |
H2'A | C2' | C3' | C4' | 61.7° | 172.8° |
H2'A | C2' | C3' | H3' | 43.6° | 67.5° |
H2'A | C2' | C3' | O3' | 165.0° | 53.2° |
C4' | C3' | H3' | O3' | 120.6° | 120.5° |
C3' | C4' | C5' | O5' | 172.8° | 174.4° |
C3' | C4' | C5' | H5' | 52.8° | 54.4° |
C3' | C4' | C5' | H5'A | 67.8° | 65.6° |
C4' | C3' | O3' | HO3' | 161.5° | 179.0° |
H3' | C3' | C4' | C5' | 35.3° | 49.8° |
H3' | C3' | O3' | HO3' | 54.8° | 60.5° |
OP3 | P | OP1 | OP2 | 119.9° | 120.0° |
OP3 | P | OP1 | O5' | 113.2° | 120.0° |
OP3 | P | OP2 | O5' | 110.8° | 120.0° |
OP3 | P | O5' | C5' | 58.2° | 175.0° |
OP3 | P | OP2 | HOP2 | 51.9° | 60.0° |
OP1 | P | OP2 | O5' | 124.9° | 120.0° |
OP1 | P | O5' | C5' | 176.1° | 55.0° |
OP1 | P | OP2 | HOP2 | 72.4° | 180.0° |
OP2 | P | O5' | C5' | 51.0° | 65.0° |
P | O5' | C5' | C4' | 130.4° | 180.0° |
P | O5' | C5' | H5' | 109.6° | 60.0° |
P | O5' | C5' | H5'A | 10.9° | 60.0° |
O5' | P | OP2 | HOP2 | 162.7° | 60.0° |
C4' | C5' | O5' | H5' | 120.0° | 120.0° |
C4' | C5' | O5' | H5'A | 119.5° | 120.0° |
C4' | C5' | H5' | H5'A | 119.5° | 120.1° |
C5' | C4' | C3' | O3' | 153.8° | 70.8° |
O5' | C5' | H5' | H5'A | 119.5° | 120.0° |