QCK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.44Å | |
C3' | C4' | sing | 1.54Å | 1.53Å | |
C3' | C2' | sing | 1.54Å | 1.50Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
C4' | O4' | sing | 1.44Å | 1.41Å | |
C2' | C1' | sing | 1.55Å | 1.52Å | |
C5' | O5' | sing | 1.43Å | 1.40Å | |
OP2 | P | sing | 1.61Å | 1.61Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
C1' | N1 | sing | 1.47Å | 1.48Å | |
O5' | P | sing | 1.61Å | 1.61Å | |
P | OP1 | doub | 1.48Å | 1.61Å | |
O2 | C2 | doub | 1.22Å | 1.26Å | |
N1 | C2 | sing | 1.34Å | 1.44Å | |
N1 | C6 | sing | 1.37Å | 1.37Å | |
C2 | N3 | sing | 1.35Å | 1.39Å | |
C6 | C5 | doub | 1.35Å | 1.40Å | |
N3 | C1 | sing | 1.47Å | 1.50Å | |
N3 | C4 | sing | 1.35Å | 1.43Å | |
C5 | C4 | sing | 1.42Å | 1.40Å | |
C5 | C7 | sing | 1.51Å | 1.51Å | |
C1 | C9 | sing | 1.51Å | 1.52Å | |
C4 | O4 | doub | 1.22Å | 1.24Å | |
C9 | C8 | doub | 1.35Å | 1.42Å | Aromatic |
C9 | N10 | sing | 1.35Å | 1.37Å | Aromatic |
C8 | N12 | sing | 1.34Å | 1.34Å | Aromatic |
N10 | N11 | sing | 1.29Å | 1.42Å | Aromatic |
N12 | N11 | doub | 1.29Å | 1.43Å | Aromatic |
C6 | H1 | sing | 1.08Å | 1.08Å | |
C7 | H2 | sing | 1.09Å | 1.10Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C8 | H5 | sing | 1.08Å | 1.08Å | |
C1 | H6 | sing | 1.09Å | 1.10Å | |
C1 | H7 | sing | 1.09Å | 1.10Å | |
C1' | H8 | sing | 1.09Å | 1.10Å | |
C2' | H9 | sing | 1.09Å | 1.10Å | |
C2' | H10 | sing | 1.09Å | 1.10Å | |
C3' | H11 | sing | 1.09Å | 1.10Å | |
O3' | H12 | sing | 0.97Å | 0.95Å | |
C4' | H13 | sing | 1.09Å | 1.10Å | |
C5' | H14 | sing | 1.09Å | 1.10Å | |
C5' | H15 | sing | 1.09Å | 1.10Å | |
OP2 | H16 | sing | 0.97Å | 0.95Å | |
N10 | H18 | sing | 0.97Å | 1.00Å | |
P | OP3 | sing | 1.61Å | 1.60Å | |
OP3 | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C4' | 108.8° | 110.5° |
O3' | C3' | C2' | 109.4° | 110.5° |
O3' | C3' | H11 | 111.3° | 110.6° |
C3' | O3' | H12 | 109.5° | 114.0° |
C4' | C3' | C2' | 106.8° | 104.1° |
C3' | C4' | C5' | 112.2° | 110.4° |
C3' | C4' | O4' | 102.5° | 104.8° |
C4' | C3' | H11 | 109.9° | 110.5° |
C3' | C4' | H13 | 110.4° | 110.4° |
C3' | C2' | C1' | 103.7° | 104.1° |
C3' | C2' | H9 | 110.9° | 110.5° |
C3' | C2' | H10 | 110.9° | 110.7° |
C2' | C3' | H11 | 110.4° | 110.5° |
C5' | C4' | O4' | 108.9° | 110.4° |
C4' | C5' | O5' | 110.1° | 109.5° |
C5' | C4' | H13 | 110.4° | 110.3° |
C4' | C5' | H14 | 109.3° | 109.5° |
C4' | C5' | H15 | 109.3° | 109.5° |
C4' | O4' | C1' | 108.9° | 105.3° |
O4' | C4' | H13 | 112.2° | 110.5° |
C2' | C1' | O4' | 104.6° | 104.8° |
C2' | C1' | N1 | 116.2° | 110.3° |
C2' | C1' | H8 | 110.1° | 110.5° |
C1' | C2' | H9 | 110.9° | 110.5° |
C1' | C2' | H10 | 110.9° | 110.5° |
C5' | O5' | P | 120.9° | 123.0° |
O5' | C5' | H14 | 109.3° | 109.4° |
O5' | C5' | H15 | 109.3° | 109.5° |
OP2 | P | O5' | 112.0° | 109.4° |
OP2 | P | OP1 | 112.2° | 109.5° |
P | OP2 | H16 | 109.5° | 114.0° |
OP2 | P | OP3 | 108.4° | 109.5° |
O4' | C1' | N1 | 103.3° | 110.4° |
O4' | C1' | H8 | 111.6° | 110.4° |
C1' | N1 | C2 | 118.0° | 119.7° |
C1' | N1 | C6 | 120.2° | 119.7° |
N1 | C1' | H8 | 110.7° | 110.3° |
O5' | P | OP1 | 112.1° | 109.5° |
O5' | P | OP3 | 103.3° | 109.5° |
OP1 | P | OP3 | 108.4° | 109.5° |
O2 | C2 | N1 | 125.2° | 119.5° |
O2 | C2 | N3 | 114.8° | 119.5° |
C2 | N1 | C6 | 121.7° | 120.6° |
N1 | C2 | N3 | 120.0° | 121.0° |
N1 | C6 | C5 | 119.6° | 119.6° |
N1 | C6 | H1 | 120.2° | 120.2° |
C2 | N3 | C1 | 120.1° | 119.9° |
C2 | N3 | C4 | 116.4° | 120.3° |
C6 | C5 | C4 | 118.8° | 119.1° |
C6 | C5 | C7 | 121.8° | 120.4° |
C5 | C6 | H1 | 120.2° | 120.2° |
C1 | N3 | C4 | 123.5° | 119.8° |
N3 | C1 | C9 | 108.5° | 109.5° |
N3 | C1 | H6 | 109.7° | 109.5° |
N3 | C1 | H7 | 109.7° | 109.4° |
N3 | C4 | C5 | 123.5° | 119.4° |
N3 | C4 | O4 | 115.9° | 120.3° |
C4 | C5 | C7 | 119.4° | 120.5° |
C5 | C4 | O4 | 120.6° | 120.3° |
C5 | C7 | H2 | 109.5° | 109.4° |
C5 | C7 | H3 | 109.5° | 109.5° |
C5 | C7 | H4 | 109.4° | 109.5° |
C1 | C9 | C8 | 125.4° | 126.9° |
C1 | C9 | N10 | 126.0° | 126.9° |
C9 | C1 | H6 | 109.7° | 109.5° |
C9 | C1 | H7 | 109.7° | 109.5° |
C8 | C9 | N10 | 108.6° | 106.2° |
C9 | C8 | N12 | 108.9° | 106.5° |
C9 | C8 | H5 | 125.5° | 126.8° |
C9 | N10 | N11 | 107.3° | 108.2° |
C9 | N10 | H18 | 126.4° | 125.9° |
C8 | N12 | N11 | 108.1° | 108.9° |
N12 | C8 | H5 | 125.5° | 126.8° |
N10 | N11 | N12 | 107.2° | 110.2° |
N11 | N10 | H18 | 126.3° | 125.9° |
H2 | C7 | H3 | 109.4° | 109.5° |
H2 | C7 | H4 | 109.5° | 109.5° |
H3 | C7 | H4 | 109.5° | 109.5° |
H6 | C1 | H7 | 109.5° | 109.5° |
H9 | C2' | H10 | 109.5° | 110.5° |
H14 | C5' | H15 | 109.5° | 109.5° |
P | OP3 | H17 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C4' | C2' | 118.0° | 118.7° |
O3' | C3' | C4' | H11 | 122.2° | 122.7° |
O3' | C3' | C2' | H11 | 122.9° | 122.7° |
O3' | C3' | C4' | C5' | 103.9° | 98.5° |
O3' | C3' | C4' | O4' | 139.4° | 142.6° |
O3' | C3' | C2' | C1' | 118.1° | 118.6° |
O3' | C3' | C2' | H9 | 122.8° | 0.1° |
O3' | C3' | C2' | H10 | 1.0° | 122.6° |
O3' | C3' | C4' | H13 | 19.7° | 23.7° |
C4' | C3' | C2' | H11 | 119.5° | 118.6° |
C3' | C4' | C5' | O4' | 112.7° | 115.4° |
C3' | C4' | C5' | H13 | 123.6° | 122.2° |
C3' | C4' | O4' | H13 | 118.4° | 118.9° |
C4' | C3' | C2' | C1' | 0.4° | 0.0° |
C3' | C4' | C5' | O5' | 62.1° | 175.0° |
C3' | C4' | O4' | C1' | 36.3° | 40.5° |
C4' | C3' | C2' | H9 | 119.5° | 118.6° |
C4' | C3' | C2' | H10 | 118.6° | 118.7° |
C4' | C3' | O3' | H12 | 180.0° | 180.0° |
C3' | C4' | C5' | H14 | 177.8° | 55.0° |
C3' | C4' | C5' | H15 | 58.0° | 65.0° |
C2' | C3' | C4' | C5' | 138.0° | 142.8° |
C2' | C3' | C4' | O4' | 21.4° | 23.9° |
C3' | C2' | C1' | H9 | 119.1° | 118.6° |
C3' | C2' | C1' | H10 | 119.1° | 118.8° |
C3' | C2' | C1' | O4' | 20.7° | 24.0° |
C3' | C2' | C1' | N1 | 133.9° | 142.8° |
C3' | C2' | C1' | H8 | 99.3° | 94.9° |
C3' | C2' | H9 | H10 | 122.7° | 122.8° |
C2' | C3' | O3' | H12 | 63.7° | 65.3° |
C2' | C3' | C4' | H13 | 98.3° | 95.0° |
C5' | C4' | O4' | H13 | 122.6° | 122.3° |
C4' | C5' | O5' | H14 | 120.1° | 120.0° |
C4' | C5' | O5' | H15 | 120.1° | 120.0° |
C5' | C4' | O4' | C1' | 155.3° | 159.3° |
C4' | C5' | O5' | P | 174.3° | 180.0° |
C5' | C4' | C3' | H11 | 18.3° | 24.2° |
C4' | C5' | H14 | H15 | 119.7° | 120.0° |
C4' | O4' | C1' | C2' | 36.8° | 40.5° |
O4' | C4' | C5' | O5' | 50.7° | 69.6° |
C4' | O4' | C1' | N1 | 158.9° | 159.3° |
C4' | O4' | C1' | H8 | 82.1° | 78.4° |
O4' | C4' | C3' | H11 | 98.4° | 94.7° |
O4' | C4' | C5' | H14 | 69.4° | 170.4° |
O4' | C4' | C5' | H15 | 170.8° | 50.4° |
C2' | C1' | O4' | N1 | 122.1° | 118.8° |
C2' | C1' | O4' | H8 | 119.0° | 118.9° |
C2' | C1' | N1 | H8 | 126.5° | 122.4° |
C2' | C1' | N1 | C2 | 127.0° | 118.2° |
C2' | C1' | N1 | C6 | 54.3° | 61.6° |
C1' | C2' | H9 | H10 | 122.6° | 122.6° |
C1' | C2' | C3' | H11 | 119.0° | 118.7° |
C5' | O5' | P | OP2 | 19.1° | 65.0° |
C5' | O5' | P | OP1 | 108.0° | 55.0° |
O5' | C5' | C4' | H13 | 174.3° | 52.8° |
O5' | C5' | H14 | H15 | 119.7° | 120.0° |
C5' | O5' | P | OP3 | 135.5° | 175.0° |
OP2 | P | O5' | OP1 | 127.1° | 120.0° |
OP2 | P | O5' | OP3 | 116.4° | 120.0° |
OP2 | P | OP1 | OP3 | 119.6° | 120.0° |
OP2 | P | OP3 | H17 | 122.0° | 60.0° |
O4' | C1' | N1 | H8 | 119.5° | 122.3° |
O4' | C1' | N1 | C2 | 119.1° | 126.4° |
O4' | C1' | N1 | C6 | 59.6° | 53.8° |
O4' | C1' | C2' | H9 | 98.4° | 142.6° |
O4' | C1' | C2' | H10 | 139.8° | 94.8° |
C1' | O4' | C4' | H13 | 82.1° | 78.4° |
C1' | N1 | C2 | O2 | 0.3° | 0.3° |
C1' | N1 | C2 | C6 | 178.7° | 179.8° |
C1' | N1 | C2 | N3 | 179.9° | 179.8° |
C1' | N1 | C6 | C5 | 179.5° | 179.8° |
C1' | N1 | C6 | H1 | 0.5° | 0.3° |
N1 | C1' | C2' | H9 | 14.8° | 98.5° |
N1 | C1' | C2' | H10 | 107.1° | 24.0° |
O5' | P | OP1 | OP3 | 113.4° | 120.0° |
P | O5' | C5' | H14 | 54.2° | 60.0° |
P | O5' | C5' | H15 | 65.6° | 60.0° |
O5' | P | OP2 | H16 | 127.1° | 60.1° |
O5' | P | OP3 | H17 | 119.0° | 180.0° |
OP1 | P | OP2 | H16 | 0.0° | 179.9° |
OP1 | P | OP3 | H17 | 0.0° | 60.0° |
O2 | C2 | N1 | N3 | 179.8° | 180.0° |
O2 | C2 | N1 | C6 | 178.4° | 180.0° |
O2 | C2 | N3 | C1 | 0.1° | 0.0° |
O2 | C2 | N3 | C4 | 180.0° | 180.0° |
C2 | N1 | C6 | C5 | 1.8° | 0.0° |
N1 | C2 | N3 | C1 | 179.9° | 180.0° |
N1 | C2 | N3 | C4 | 0.2° | 0.0° |
C2 | N1 | C6 | H1 | 178.2° | 179.9° |
C2 | N1 | C1' | H8 | 0.4° | 4.2° |
C6 | N1 | C2 | N3 | 1.4° | 0.0° |
N1 | C6 | C5 | H1 | 180.0° | 180.0° |
N1 | C6 | C5 | C4 | 0.5° | 0.1° |
N1 | C6 | C5 | C7 | 178.8° | 180.0° |
C6 | N1 | C1' | H8 | 179.1° | 176.1° |
C2 | N3 | C1 | C4 | 179.9° | 180.0° |
C2 | N3 | C4 | C5 | 1.6° | 0.1° |
C2 | N3 | C1 | C9 | 93.0° | 90.0° |
C2 | N3 | C4 | O4 | 178.9° | 180.0° |
C2 | N3 | C1 | H6 | 147.2° | 30.0° |
C2 | N3 | C1 | H7 | 26.9° | 150.0° |
C6 | C5 | C4 | N3 | 1.3° | 0.1° |
C6 | C5 | C4 | C7 | 179.3° | 179.9° |
C6 | C5 | C4 | O4 | 178.5° | 180.0° |
C6 | C5 | C7 | H2 | 180.0° | 180.0° |
C6 | C5 | C7 | H3 | 60.0° | 60.1° |
C6 | C5 | C7 | H4 | 60.0° | 60.0° |
C1 | N3 | C4 | C5 | 178.6° | 179.9° |
N3 | C1 | C9 | H6 | 119.8° | 120.0° |
N3 | C1 | C9 | H7 | 119.9° | 120.0° |
C1 | N3 | C4 | O4 | 1.2° | 0.0° |
N3 | C1 | C9 | C8 | 4.1° | 95.0° |
N3 | C1 | C9 | N10 | 176.0° | 84.9° |
N3 | C1 | H6 | H7 | 120.5° | 119.9° |
N3 | C4 | C5 | O4 | 177.2° | 179.9° |
N3 | C4 | C5 | C7 | 179.5° | 180.0° |
C4 | N3 | C1 | C9 | 87.2° | 90.0° |
C4 | N3 | C1 | H6 | 32.7° | 150.0° |
C4 | N3 | C1 | H7 | 153.0° | 30.0° |
C4 | C5 | C6 | H1 | 179.5° | 180.0° |
C4 | C5 | C7 | H2 | 0.8° | 0.0° |
C4 | C5 | C7 | H3 | 120.7° | 120.0° |
C4 | C5 | C7 | H4 | 119.3° | 119.9° |
C7 | C5 | C4 | O4 | 2.2° | 0.1° |
C7 | C5 | C6 | H1 | 1.2° | 0.1° |
C5 | C7 | H2 | H3 | 120.0° | 120.0° |
C5 | C7 | H2 | H4 | 120.0° | 120.0° |
C5 | C7 | H3 | H4 | 120.0° | 120.1° |
C1 | C9 | C8 | N10 | 179.9° | 179.9° |
C1 | C9 | C8 | N12 | 179.8° | 180.0° |
C1 | C9 | N10 | N11 | 179.1° | 180.0° |
C1 | C9 | C8 | H5 | 0.3° | 0.2° |
C9 | C1 | H6 | H7 | 120.4° | 120.1° |
C1 | C9 | N10 | H18 | 0.9° | 0.1° |
C9 | C8 | N12 | H5 | 180.0° | 179.8° |
C8 | C9 | N10 | N11 | 1.0° | 0.1° |
C9 | C8 | N12 | N11 | 0.4° | 0.0° |
C8 | C9 | C1 | H6 | 115.7° | 145.0° |
C8 | C9 | C1 | H7 | 124.0° | 25.0° |
C8 | C9 | N10 | H18 | 179.0° | 179.9° |
N10 | C9 | C8 | N12 | 0.4° | 0.0° |
C9 | N10 | N11 | H18 | 180.0° | 179.9° |
C9 | N10 | N11 | N12 | 1.2° | 0.0° |
N10 | C9 | C8 | H5 | 179.6° | 179.7° |
N10 | C9 | C1 | H6 | 64.2° | 35.1° |
N10 | C9 | C1 | H7 | 56.1° | 155.1° |
C8 | N12 | N11 | N10 | 1.0° | 0.0° |
N11 | N12 | C8 | H5 | 179.6° | 179.7° |
N12 | N11 | N10 | H18 | 178.8° | 179.9° |
H2 | C7 | H3 | H4 | 120.0° | 120.0° |
H8 | C1' | C2' | H9 | 141.6° | 23.8° |
H8 | C1' | C2' | H10 | 19.8° | 146.3° |
H9 | C2' | C3' | H11 | 0.0° | 122.8° |
H10 | C2' | C3' | H11 | 121.9° | 0.1° |
H11 | C3' | O3' | H12 | 58.6° | 57.4° |
H11 | C3' | C4' | H13 | 141.9° | 146.4° |
H13 | C4' | C5' | H14 | 54.2° | 67.2° |
H13 | C4' | C5' | H15 | 65.6° | 172.8° |
H16 | OP2 | P | OP3 | 119.6° | 59.9° |