MTQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.33Å | 1.37Å | |
N1 | C10 | doub | 1.32Å | 1.34Å | |
C2 | N2 | sing | 1.38Å | 1.28Å | |
C2 | N3 | doub | 1.32Å | 1.29Å | |
N3 | C4 | sing | 1.34Å | 1.39Å | |
C4 | O4 | doub | 1.22Å | 1.31Å | |
C4 | C9 | sing | 1.47Å | 1.45Å | |
N5 | C6 | sing | 1.30Å | 1.54Å | |
N5 | C9 | doub | 1.33Å | 1.47Å | |
C6 | C7 | sing | 1.50Å | 1.60Å | |
C6 | C1' | doub | 1.46Å | 1.42Å | |
C7 | N8 | sing | 1.47Å | 1.42Å | |
C7 | O3' | sing | 1.45Å | 1.44Å | |
N8 | C10 | sing | 1.38Å | 1.35Å | |
C9 | C10 | sing | 1.41Å | 1.55Å | |
C1' | S1' | sing | 1.80Å | 1.70Å | |
C1' | C2' | sing | 1.39Å | 1.42Å | |
S1' | MOM1 | sing | 2.43Å | 2.40Å | |
C2' | S2' | sing | 1.80Å | 1.80Å | |
C2' | C3' | doub | 1.40Å | 1.64Å | |
S2' | MOM1 | sing | 2.44Å | 2.26Å | |
C3' | O3' | sing | 1.34Å | 1.48Å | |
C3' | C4' | sing | 1.51Å | 1.38Å | |
C4' | O4' | sing | 1.43Å | 1.47Å | |
O4' | P | sing | 1.61Å | 1.41Å | |
P | O1P | doub | 1.48Å | 1.36Å | |
P | O2P | sing | 1.61Å | 1.40Å | |
P | O3P | sing | 1.61Å | 1.52Å | |
MOM1 | OM1 | doub | 1.74Å | 1.69Å | |
N2 | H2L | sing | 0.97Å | 1.00Å | |
N2 | H2 | sing | 0.97Å | 1.00Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
N8 | H8 | sing | 0.97Å | 1.00Å | |
MOM1 | OM2 | doub | 1.74Å | 1.74Å | |
C4' | H4'1 | sing | 1.09Å | 1.10Å | |
C4' | H4'2 | sing | 1.09Å | 1.10Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
O3P | H3P | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C10 | 126.1° | 121.3° |
N1 | C2 | N2 | 120.6° | 118.4° |
N1 | C2 | N3 | 122.2° | 123.3° |
N1 | C10 | N8 | 131.5° | 122.1° |
N1 | C10 | C9 | 113.3° | 119.3° |
N2 | C2 | N3 | 117.1° | 118.3° |
C2 | N2 | H2L | 110.9° | 120.0° |
C2 | N2 | H2 | 124.6° | 120.0° |
C2 | N3 | C4 | 121.7° | 121.0° |
N3 | C4 | O4 | 127.8° | 121.2° |
N3 | C4 | C9 | 119.1° | 117.5° |
O4 | C4 | C9 | 113.0° | 121.3° |
C4 | C9 | N5 | 123.6° | 122.1° |
C4 | C9 | C10 | 117.6° | 117.6° |
C6 | N5 | C9 | 126.6° | 121.3° |
N5 | C6 | C7 | 107.5° | 122.3° |
N5 | C6 | C1' | 125.8° | 118.5° |
N5 | C9 | C10 | 118.8° | 120.4° |
C7 | C6 | C1' | 121.2° | 119.2° |
C6 | C7 | N8 | 121.7° | 109.0° |
C6 | C7 | O3' | 87.2° | 108.1° |
C6 | C7 | H7 | 114.0° | 110.0° |
C6 | C1' | S1' | 131.9° | 113.6° |
C6 | C1' | C2' | 98.0° | 117.0° |
N8 | C7 | O3' | 101.0° | 109.1° |
C7 | N8 | C10 | 129.9° | 117.3° |
N8 | C7 | H7 | 102.7° | 110.0° |
C7 | N8 | H8 | 115.0° | 121.4° |
C7 | O3' | C3' | 107.3° | 116.8° |
O3' | C7 | H7 | 131.6° | 110.6° |
N8 | C10 | C9 | 114.9° | 118.7° |
C10 | N8 | H8 | 115.0° | 121.3° |
S1' | C1' | C2' | 129.1° | 129.3° |
C1' | S1' | MOM1 | 102.6° | 93.1° |
C1' | C2' | S2' | 110.5° | 126.9° |
C1' | C2' | C3' | 119.8° | 119.4° |
S1' | MOM1 | S2' | 84.9° | 96.1° |
S1' | MOM1 | OM1 | 86.3° | 112.0° |
S1' | MOM1 | OM2 | 113.1° | 112.0° |
S2' | C2' | C3' | 129.7° | 113.7° |
C2' | S2' | MOM1 | 111.5° | 93.8° |
C2' | C3' | O3' | 118.2° | 121.9° |
C2' | C3' | C4' | 114.1° | 119.1° |
S2' | MOM1 | OM1 | 119.3° | 112.0° |
S2' | MOM1 | OM2 | 109.7° | 112.0° |
O3' | C3' | C4' | 108.2° | 119.0° |
C3' | C4' | O4' | 113.4° | 109.4° |
C3' | C4' | H4'1 | 108.2° | 109.5° |
C3' | C4' | H4'2 | 107.3° | 109.5° |
C4' | O4' | P | 114.2° | 123.0° |
O4' | C4' | H4'1 | 108.2° | 109.5° |
O4' | C4' | H4'2 | 107.3° | 109.5° |
O4' | P | O1P | 121.3° | 109.5° |
O4' | P | O2P | 101.8° | 109.4° |
O4' | P | O3P | 108.6° | 109.5° |
O1P | P | O2P | 99.4° | 109.4° |
O1P | P | O3P | 108.5° | 109.5° |
O2P | P | O3P | 117.4° | 109.5° |
P | O2P | H2P | 109.5° | 114.0° |
P | O3P | H3P | 109.5° | 114.0° |
OM1 | MOM1 | OM2 | 128.8° | 111.7° |
H2L | N2 | H2 | 124.6° | 120.0° |
H4'1 | C4' | H4'2 | 112.6° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C2 | N2 | N3 | 178.7° | 180.0° |
N1 | C2 | N3 | C4 | 0.4° | 0.3° |
C2 | N1 | C10 | N8 | 173.3° | 178.9° |
C2 | N1 | C10 | C9 | 0.0° | 0.8° |
N1 | C2 | N2 | H2L | 180.0° | 0.0° |
N1 | C2 | N2 | H2 | 0.0° | 180.0° |
C10 | N1 | C2 | N2 | 178.3° | 179.7° |
C10 | N1 | C2 | N3 | 0.4° | 0.3° |
N1 | C10 | C9 | C4 | 1.0° | 1.8° |
N1 | C10 | C9 | N5 | 179.6° | 178.8° |
N1 | C10 | N8 | C7 | 175.9° | 152.5° |
N1 | C10 | N8 | C9 | 173.2° | 179.7° |
N1 | C10 | N8 | H8 | 4.1° | 27.4° |
N2 | C2 | N3 | C4 | 179.1° | 179.7° |
C2 | N2 | H2L | H2 | 180.0° | 179.9° |
C2 | N3 | C4 | O4 | 177.0° | 179.3° |
C2 | N3 | C4 | C9 | 1.5° | 0.8° |
N3 | C2 | N2 | H2L | 1.3° | 180.0° |
N3 | C2 | N2 | H2 | 178.7° | 0.0° |
N3 | C4 | O4 | C9 | 175.7° | 179.9° |
N3 | C4 | C9 | N5 | 178.9° | 178.8° |
N3 | C4 | C9 | C10 | 1.8° | 1.8° |
O4 | C4 | C9 | N5 | 2.8° | 1.1° |
O4 | C4 | C9 | C10 | 177.9° | 178.3° |
C4 | C9 | N5 | C6 | 170.0° | 169.0° |
C4 | C9 | N5 | C10 | 179.3° | 179.3° |
C4 | C9 | C10 | N8 | 173.4° | 177.9° |
N5 | C6 | C7 | C1' | 155.3° | 178.7° |
N5 | C6 | C7 | N8 | 3.7° | 26.3° |
N5 | C6 | C7 | O3' | 104.9° | 144.7° |
C6 | N5 | C9 | C10 | 9.3° | 11.7° |
N5 | C6 | C1' | S1' | 21.3° | 5.7° |
N5 | C6 | C1' | C2' | 147.9° | 172.1° |
N5 | C6 | C7 | H7 | 120.2° | 94.4° |
C9 | N5 | C6 | C7 | 7.6° | 2.5° |
C9 | N5 | C6 | C1' | 161.5° | 178.8° |
N5 | C9 | C10 | N8 | 5.9° | 1.4° |
C6 | C7 | N8 | O3' | 93.5° | 117.8° |
C6 | C7 | N8 | H7 | 128.9° | 120.8° |
C6 | C7 | O3' | H7 | 120.0° | 120.5° |
C6 | C7 | N8 | C10 | 1.9° | 37.9° |
C7 | C6 | C1' | S1' | 129.3° | 173.1° |
C7 | C6 | C1' | C2' | 61.6° | 9.1° |
C6 | C7 | O3' | C3' | 66.0° | 48.7° |
C6 | C7 | N8 | H8 | 178.1° | 142.2° |
C1' | C6 | C7 | N8 | 158.9° | 155.0° |
C1' | C6 | C7 | O3' | 99.8° | 36.6° |
C6 | C1' | S1' | C2' | 166.1° | 177.4° |
C6 | C1' | S1' | MOM1 | 176.1° | 176.0° |
C6 | C1' | C2' | S2' | 172.1° | 171.6° |
C6 | C1' | C2' | C3' | 6.8° | 9.9° |
C1' | C6 | C7 | H7 | 35.1° | 84.3° |
N8 | C7 | O3' | H7 | 118.2° | 121.1° |
C7 | N8 | C10 | H8 | 180.0° | 179.9° |
C7 | N8 | C10 | C9 | 2.7° | 27.8° |
N8 | C7 | O3' | C3' | 172.3° | 167.1° |
O3' | C7 | N8 | C10 | 95.4° | 155.6° |
C7 | O3' | C3' | C2' | 37.6° | 34.2° |
C7 | O3' | C3' | C4' | 169.2° | 145.7° |
O3' | C7 | N8 | H8 | 84.6° | 24.5° |
C10 | N8 | C7 | H7 | 127.0° | 82.9° |
C9 | C10 | N8 | H8 | 177.3° | 152.3° |
S1' | C1' | C2' | S2' | 2.4° | 11.1° |
S1' | C1' | C2' | C3' | 176.4° | 167.4° |
C1' | S1' | MOM1 | S2' | 9.9° | 1.1° |
C1' | S1' | MOM1 | OM1 | 129.9° | 117.9° |
C1' | S1' | MOM1 | OM2 | 99.3° | 115.6° |
C2' | C1' | S1' | MOM1 | 9.9° | 6.6° |
C1' | C2' | S2' | C3' | 178.7° | 178.6° |
C1' | C2' | S2' | MOM1 | 7.3° | 7.2° |
C1' | C2' | C3' | O3' | 2.2° | 2.2° |
C1' | C2' | C3' | C4' | 126.7° | 177.7° |
S1' | MOM1 | S2' | C2' | 9.9° | 2.2° |
S1' | MOM1 | S2' | OM1 | 82.8° | 116.7° |
S1' | MOM1 | S2' | OM2 | 112.7° | 116.8° |
S1' | MOM1 | OM1 | OM2 | 116.8° | 126.6° |
S2' | C2' | C3' | O3' | 179.2° | 176.5° |
S2' | C2' | C3' | C4' | 51.9° | 3.6° |
C2' | S2' | MOM1 | OM1 | 92.7° | 114.5° |
C2' | S2' | MOM1 | OM2 | 102.7° | 119.0° |
C3' | C2' | S2' | MOM1 | 174.0° | 171.3° |
C2' | C3' | O3' | C4' | 131.6° | 179.9° |
C2' | C3' | C4' | O4' | 161.8° | 115.0° |
C2' | C3' | C4' | H4'1 | 41.8° | 125.0° |
C2' | C3' | C4' | H4'2 | 79.9° | 5.0° |
S2' | MOM1 | OM1 | OM2 | 161.2° | 126.7° |
O3' | C3' | C4' | O4' | 64.5° | 65.1° |
C3' | O3' | C7 | H7 | 54.1° | 71.8° |
O3' | C3' | C4' | H4'1 | 175.5° | 55.0° |
O3' | C3' | C4' | H4'2 | 53.8° | 175.0° |
C3' | C4' | O4' | H4'1 | 120.0° | 120.0° |
C3' | C4' | O4' | H4'2 | 118.3° | 120.0° |
C3' | C4' | O4' | P | 163.5° | 180.0° |
C3' | C4' | H4'1 | H4'2 | 118.4° | 120.0° |
C4' | O4' | P | O1P | 43.9° | 55.1° |
C4' | O4' | P | O2P | 152.8° | 175.0° |
C4' | O4' | P | O3P | 82.7° | 65.0° |
O4' | C4' | H4'1 | H4'2 | 118.4° | 120.0° |
O4' | P | O1P | O2P | 110.1° | 119.9° |
O4' | P | O1P | O3P | 126.7° | 120.0° |
O4' | P | O2P | O3P | 118.4° | 120.0° |
P | O4' | C4' | H4'1 | 76.5° | 60.0° |
P | O4' | C4' | H4'2 | 45.2° | 60.0° |
O4' | P | O2P | H2P | 130.9° | 180.0° |
O4' | P | O3P | H3P | 153.0° | 60.0° |
O1P | P | O2P | O3P | 116.6° | 120.0° |
O1P | P | O2P | H2P | 5.9° | 60.0° |
O1P | P | O3P | H3P | 73.3° | 180.0° |
O2P | P | O3P | H3P | 38.2° | 60.0° |
O3P | P | O2P | H2P | 110.7° | 60.0° |
H7 | C7 | N8 | H8 | 53.0° | 97.0° |