3KA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C2' | C1' | sing | 1.55Å | 1.52Å | |
O4 | C4 | doub | 1.22Å | 1.25Å | |
C5 | C4 | sing | 1.42Å | 1.39Å | |
C5 | C6 | doub | 1.35Å | 1.39Å | |
C4 | N3 | sing | 1.35Å | 1.34Å | |
C6 | N1 | sing | 1.37Å | 1.34Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.54Å | 1.52Å | |
N3 | C2 | sing | 1.35Å | 1.34Å | |
N1 | C2 | sing | 1.34Å | 1.41Å | |
N1 | C1' | sing | 1.46Å | 1.46Å | |
C2 | O2 | doub | 1.22Å | 1.25Å | |
C1' | O4' | sing | 1.44Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
OP1 | P | doub | 1.48Å | 1.51Å | |
C4' | O4' | sing | 1.44Å | 1.43Å | |
O5' | P | sing | 1.61Å | 1.60Å | |
P | OP2 | sing | 1.61Å | 1.51Å | |
P | O1 | sing | 1.61Å | 1.61Å | |
N3 | H1 | sing | 0.97Å | 1.00Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C1' | H4 | sing | 1.09Å | 1.10Å | |
C2' | H5 | sing | 1.09Å | 1.10Å | |
C2' | H6 | sing | 1.09Å | 1.10Å | |
C3' | H7 | sing | 1.09Å | 1.10Å | |
O3' | H8 | sing | 0.97Å | 0.95Å | |
C4' | H9 | sing | 1.09Å | 1.10Å | |
C5' | H10 | sing | 1.09Å | 1.10Å | |
C5' | H11 | sing | 1.09Å | 1.10Å | |
OP2 | H12 | sing | 0.97Å | 0.95Å | |
O1 | H13 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3' | C2' | C1' | 99.8° | 102.1° |
C2' | C3' | O3' | 108.8° | 110.5° |
C2' | C3' | C4' | 103.5° | 104.2° |
C3' | C2' | H5 | 111.8° | 110.9° |
C3' | C2' | H6 | 111.8° | 110.9° |
C2' | C3' | H7 | 112.4° | 110.5° |
C2' | C1' | N1 | 118.1° | 110.6° |
C2' | C1' | O4' | 104.8° | 103.5° |
C2' | C1' | H4 | 109.0° | 110.7° |
C1' | C2' | H5 | 111.8° | 110.9° |
C1' | C2' | H6 | 111.8° | 110.9° |
O4 | C4 | C5 | 120.1° | 120.3° |
O4 | C4 | N3 | 119.4° | 120.3° |
C4 | C5 | C6 | 119.0° | 119.1° |
C5 | C4 | N3 | 120.5° | 119.4° |
C4 | C5 | H2 | 120.5° | 120.4° |
C5 | C6 | N1 | 119.5° | 119.7° |
C6 | C5 | H2 | 120.5° | 120.5° |
C5 | C6 | H3 | 120.3° | 120.1° |
C4 | N3 | C2 | 120.9° | 120.2° |
C4 | N3 | H1 | 119.6° | 119.9° |
C6 | N1 | C2 | 120.3° | 120.6° |
C6 | N1 | C1' | 120.4° | 119.7° |
N1 | C6 | H3 | 120.3° | 120.1° |
O3' | C3' | C4' | 105.2° | 110.5° |
O3' | C3' | H7 | 113.8° | 110.4° |
C3' | O3' | H8 | 109.5° | 114.0° |
C3' | C4' | C5' | 112.4° | 109.9° |
C3' | C4' | O4' | 104.2° | 107.3° |
C4' | C3' | H7 | 112.4° | 110.6° |
C3' | C4' | H9 | 109.5° | 109.9° |
N3 | C2 | N1 | 119.7° | 121.0° |
N3 | C2 | O2 | 120.5° | 119.5° |
C2 | N3 | H1 | 119.5° | 119.9° |
C2 | N1 | C1' | 119.2° | 119.7° |
N1 | C2 | O2 | 119.8° | 119.5° |
N1 | C1' | O4' | 104.6° | 110.6° |
N1 | C1' | H4 | 109.8° | 110.6° |
C1' | O4' | C4' | 110.7° | 107.0° |
O4' | C1' | H4 | 110.2° | 110.6° |
C4' | C5' | O5' | 106.8° | 109.5° |
C5' | C4' | O4' | 110.5° | 109.9° |
C5' | C4' | H9 | 109.3° | 109.9° |
C4' | C5' | H10 | 110.1° | 109.4° |
C4' | C5' | H11 | 110.1° | 109.5° |
C5' | O5' | P | 123.6° | 123.0° |
O5' | C5' | H10 | 110.1° | 109.5° |
O5' | C5' | H11 | 110.1° | 109.5° |
OP1 | P | O5' | 111.2° | 109.4° |
OP1 | P | OP2 | 119.0° | 109.5° |
OP1 | P | O1 | 108.1° | 109.5° |
O4' | C4' | H9 | 110.8° | 109.9° |
O5' | P | OP2 | 106.5° | 109.5° |
O5' | P | O1 | 103.0° | 109.5° |
OP2 | P | O1 | 107.8° | 109.5° |
P | OP2 | H12 | 109.5° | 114.0° |
P | O1 | H13 | 109.5° | 114.0° |
H5 | C2' | H6 | 109.5° | 110.9° |
H10 | C5' | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3' | C2' | C1' | H5 | 118.4° | 118.2° |
C3' | C2' | C1' | H6 | 118.4° | 118.2° |
C2' | C3' | O3' | C4' | 110.3° | 114.8° |
C2' | C3' | O3' | H7 | 126.2° | 122.5° |
C2' | C3' | C4' | H7 | 121.5° | 118.7° |
C3' | C2' | C1' | N1 | 152.3° | 155.5° |
C3' | C2' | C1' | O4' | 36.4° | 37.0° |
C2' | C3' | C4' | C5' | 89.8° | 121.5° |
C2' | C3' | C4' | O4' | 29.9° | 2.0° |
C3' | C2' | C1' | H4 | 81.6° | 81.6° |
C3' | C2' | H5 | H6 | 124.5° | 123.7° |
C2' | C3' | O3' | H8 | 180.0° | 61.4° |
C2' | C3' | C4' | H9 | 148.5° | 117.4° |
C2' | C1' | N1 | C6 | 68.6° | 115.5° |
C1' | C2' | C3' | O3' | 71.3° | 97.8° |
C1' | C2' | C3' | C4' | 40.2° | 20.9° |
C2' | C1' | N1 | C2 | 115.3° | 64.7° |
C2' | C1' | N1 | O4' | 116.0° | 114.1° |
C2' | C1' | N1 | H4 | 125.8° | 123.0° |
C2' | C1' | O4' | H4 | 117.1° | 118.6° |
C2' | C1' | O4' | C4' | 19.2° | 40.0° |
C1' | C2' | H5 | H6 | 124.5° | 123.7° |
C1' | C2' | C3' | H7 | 161.7° | 139.7° |
O4 | C4 | C5 | N3 | 179.3° | 179.8° |
O4 | C4 | C5 | C6 | 179.4° | 180.0° |
O4 | C4 | N3 | C2 | 179.3° | 179.9° |
O4 | C4 | N3 | H1 | 0.7° | 0.1° |
O4 | C4 | C5 | H2 | 0.6° | 0.1° |
C4 | C5 | C6 | H2 | 180.0° | 179.9° |
C4 | C5 | C6 | N1 | 0.6° | 0.1° |
C5 | C4 | N3 | C2 | 0.0° | 0.3° |
C5 | C4 | N3 | H1 | 180.0° | 179.8° |
C4 | C5 | C6 | H3 | 179.4° | 180.0° |
C6 | C5 | C4 | N3 | 0.1° | 0.2° |
C5 | C6 | N1 | H3 | 180.0° | 179.9° |
C5 | C6 | N1 | C2 | 1.3° | 0.3° |
C5 | C6 | N1 | C1' | 177.4° | 179.9° |
C4 | N3 | C2 | H1 | 180.0° | 179.9° |
C4 | N3 | C2 | N1 | 0.7° | 0.1° |
C4 | N3 | C2 | O2 | 179.6° | 180.0° |
N3 | C4 | C5 | H2 | 179.9° | 179.7° |
C6 | N1 | C2 | N3 | 1.4° | 0.2° |
C6 | N1 | C2 | C1' | 176.1° | 179.8° |
C6 | N1 | C2 | O2 | 179.6° | 179.7° |
C6 | N1 | C1' | O4' | 47.4° | 1.4° |
N1 | C6 | C5 | H2 | 179.4° | 180.0° |
C6 | N1 | C1' | H4 | 165.6° | 121.5° |
O3' | C3' | C4' | H7 | 124.4° | 122.6° |
O3' | C3' | C4' | C5' | 156.1° | 119.8° |
O3' | C3' | C4' | O4' | 84.2° | 120.7° |
O3' | C3' | C2' | H5 | 47.1° | 144.0° |
O3' | C3' | C2' | H6 | 170.3° | 20.4° |
O3' | C3' | C4' | H9 | 34.4° | 1.2° |
C3' | C4' | O4' | C1' | 6.7° | 26.5° |
C3' | C4' | C5' | O4' | 116.0° | 117.9° |
C3' | C4' | C5' | H9 | 121.8° | 121.0° |
C3' | C4' | C5' | O5' | 164.4° | 175.0° |
C3' | C4' | O4' | H9 | 117.7° | 119.4° |
C4' | C3' | C2' | H5 | 158.6° | 97.3° |
C4' | C3' | C2' | H6 | 78.2° | 139.1° |
C4' | C3' | O3' | H8 | 69.7° | 176.2° |
C3' | C4' | C5' | H10 | 76.0° | 65.0° |
C3' | C4' | C5' | H11 | 44.8° | 55.0° |
N3 | C2 | N1 | O2 | 178.9° | 179.9° |
N3 | C2 | N1 | C1' | 177.5° | 180.0° |
C2 | N1 | C1' | O4' | 128.7° | 178.8° |
N1 | C2 | N3 | H1 | 179.2° | 180.0° |
C2 | N1 | C6 | H3 | 178.7° | 179.8° |
C2 | N1 | C1' | H4 | 10.5° | 58.3° |
C1' | N1 | C2 | O2 | 3.5° | 0.1° |
N1 | C1' | O4' | H4 | 118.0° | 122.9° |
N1 | C1' | O4' | C4' | 144.1° | 158.5° |
C1' | N1 | C6 | H3 | 2.6° | 0.0° |
N1 | C1' | C2' | H5 | 89.3° | 37.3° |
N1 | C1' | C2' | H6 | 33.9° | 86.3° |
O2 | C2 | N3 | H1 | 0.3° | 0.2° |
C1' | O4' | C4' | C5' | 114.3° | 145.9° |
O4' | C1' | C2' | H5 | 154.8° | 81.2° |
O4' | C1' | C2' | H6 | 82.0° | 155.2° |
C1' | O4' | C4' | H9 | 124.4° | 92.9° |
C4' | C5' | O5' | H10 | 119.6° | 120.0° |
C4' | C5' | O5' | H11 | 119.6° | 120.1° |
C5' | C4' | O4' | H9 | 121.3° | 121.1° |
C4' | C5' | O5' | P | 174.7° | 180.0° |
C5' | C4' | C3' | H7 | 31.7° | 2.8° |
C4' | C5' | H10 | H11 | 121.2° | 120.0° |
C5' | O5' | P | OP1 | 33.5° | 55.0° |
O5' | C5' | C4' | O4' | 79.6° | 67.1° |
C5' | O5' | P | OP2 | 164.7° | 65.0° |
C5' | O5' | P | O1 | 82.0° | 175.0° |
O5' | C5' | C4' | H9 | 42.5° | 53.9° |
O5' | C5' | H10 | H11 | 121.2° | 120.0° |
OP1 | P | O5' | OP2 | 131.1° | 120.0° |
OP1 | P | O5' | O1 | 115.6° | 120.0° |
OP1 | P | OP2 | O1 | 123.4° | 120.0° |
OP1 | P | OP2 | H12 | 0.0° | 179.9° |
OP1 | P | O1 | H13 | 0.0° | 60.1° |
C4' | O4' | C1' | H4 | 97.9° | 78.6° |
O4' | C4' | C3' | H7 | 151.4° | 116.7° |
O4' | C4' | C5' | H10 | 39.9° | 52.8° |
O4' | C4' | C5' | H11 | 160.8° | 172.8° |
O5' | P | OP2 | O1 | 110.0° | 120.0° |
P | O5' | C5' | H10 | 65.7° | 60.0° |
P | O5' | C5' | H11 | 55.1° | 60.0° |
O5' | P | OP2 | H12 | 126.6° | 60.0° |
O5' | P | O1 | H13 | 117.8° | 180.0° |
OP2 | P | O1 | H13 | 129.8° | 60.0° |
O1 | P | OP2 | H12 | 123.4° | 60.0° |
H2 | C5 | C6 | H3 | 0.6° | 0.1° |
H4 | C1' | C2' | H5 | 36.8° | 160.2° |
H4 | C1' | C2' | H6 | 160.0° | 36.6° |
H5 | C2' | C3' | H7 | 79.9° | 21.5° |
H6 | C2' | C3' | H7 | 43.3° | 102.1° |
H7 | C3' | O3' | H8 | 53.9° | 61.1° |
H7 | C3' | C4' | H9 | 90.0° | 123.8° |
H9 | C4' | C5' | H10 | 162.1° | 173.9° |
H9 | C4' | C5' | H11 | 77.0° | 66.1° |