2NT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP3 | sing | 1.62Å | 1.51Å | |
P | OP2 | sing | 1.62Å | 1.45Å | |
P | O5' | sing | 1.62Å | 1.59Å | |
P | OP1 | doub | 1.50Å | 12.73Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.43Å | |
C5' | C4' | sing | 1.52Å | 1.51Å | |
C5' | H5' | sing | 1.09Å | 1.11Å | |
C5' | H5'' | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.52Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C1' | N1 | sing | 1.43Å | 1.49Å | |
C1' | C2' | sing | 1.52Å | 1.53Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N1 | C6 | sing | 1.39Å | 1.38Å | |
N1 | C2 | sing | 1.41Å | 1.37Å | |
C6 | C5 | doub | 1.34Å | 1.35Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C2 | O2 | doub | 1.23Å | 1.22Å | |
C2 | N3 | sing | 1.40Å | 1.37Å | |
N3 | C4 | sing | 1.39Å | 1.37Å | |
N3 | HN3 | sing | 1.02Å | 1.02Å | |
C4 | O4 | doub | 1.23Å | 1.22Å | |
C4 | C5 | sing | 1.49Å | 1.45Å | |
C5 | C5M | sing | 1.50Å | 1.50Å | |
C5M | H71 | sing | 1.09Å | 1.12Å | |
C5M | H72 | sing | 1.09Å | 1.12Å | |
C5M | H73 | sing | 1.09Å | 1.11Å | |
C2' | O2' | sing | 1.41Å | 1.44Å | |
C2' | C3' | sing | 1.51Å | 1.52Å | |
C2' | H2' | sing | 1.10Å | 1.11Å | |
O2' | CB' | sing | 1.42Å | 1.42Å | |
CB' | CC' | sing | 1.52Å | 1.52Å | |
CB' | HB'1 | sing | 1.09Å | 1.11Å | |
CB' | HB'2 | sing | 1.09Å | 1.12Å | |
CC' | OD' | sing | 1.42Å | 1.42Å | |
CC' | HC'1 | sing | 1.09Å | 1.11Å | |
CC' | HC'2 | sing | 1.09Å | 1.11Å | |
OD' | NE' | sing | 1.46Å | 1.35Å | |
NE' | CF' | sing | 1.46Å | 1.28Å | |
NE' | HE' | sing | 1.02Å | 1.02Å | |
CF' | OG' | sing | 1.42Å | 1.42Å | |
CF' | HF'1 | sing | 1.10Å | 1.11Å | |
CF' | HF'2 | sing | 1.09Å | 1.12Å | |
OG' | HG' | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP3 | P | OP2 | 118.1° | 103.3° |
OP3 | P | O5' | 108.4° | 103.8° |
OP3 | P | OP1 | 129.1° | 115.3° |
P | OP3 | HOP3 | 118.1° | 119.0° |
OP2 | P | O5' | 111.0° | 102.9° |
OP2 | P | OP1 | 105.8° | 114.9° |
P | OP2 | HOP2 | 118.1° | 119.0° |
O5' | P | OP1 | 76.0° | 115.0° |
P | O5' | C5' | 120.7° | 118.5° |
O5' | C5' | C4' | 110.0° | 108.6° |
O5' | C5' | H5' | 112.0° | 109.2° |
O5' | C5' | H5'' | 112.0° | 109.3° |
C4' | C5' | H5' | 112.0° | 110.1° |
C4' | C5' | H5'' | 112.0° | 110.1° |
C5' | C4' | O4' | 108.7° | 108.2° |
C5' | C4' | C3' | 116.1° | 113.3° |
C5' | C4' | H4' | 103.8° | 109.3° |
H5' | C5' | H5'' | 98.4° | 109.6° |
O4' | C4' | C3' | 104.0° | 105.9° |
O4' | C4' | H4' | 116.0° | 107.7° |
C4' | O4' | C1' | 109.3° | 109.2° |
C3' | C4' | H4' | 108.6° | 112.2° |
C4' | C3' | C2' | 102.4° | 102.1° |
C4' | C3' | O3' | 113.5° | 107.9° |
C4' | C3' | H3' | 113.3° | 114.5° |
O4' | C1' | N1 | 108.6° | 109.0° |
O4' | C1' | C2' | 107.7° | 106.5° |
O4' | C1' | H1' | 111.9° | 108.9° |
N1 | C1' | C2' | 111.6° | 112.5° |
N1 | C1' | H1' | 108.0° | 107.3° |
C1' | N1 | C6 | 123.2° | 118.5° |
C1' | N1 | C2 | 115.7° | 121.3° |
C2' | C1' | H1' | 109.0° | 112.6° |
C1' | C2' | O2' | 105.7° | 112.6° |
C1' | C2' | C3' | 100.3° | 102.0° |
C1' | C2' | H2' | 116.5° | 111.1° |
C6 | N1 | C2 | 121.2° | 120.2° |
N1 | C6 | C5 | 123.1° | 124.5° |
N1 | C6 | H6 | 119.9° | 114.7° |
N1 | C2 | O2 | 122.5° | 123.8° |
N1 | C2 | N3 | 115.0° | 115.1° |
C5 | C6 | H6 | 117.0° | 120.7° |
C6 | C5 | C4 | 117.9° | 118.4° |
C6 | C5 | C5M | 123.4° | 123.6° |
O2 | C2 | N3 | 122.5° | 121.1° |
C2 | N3 | C4 | 127.4° | 127.0° |
C2 | N3 | HN3 | 116.2° | 116.4° |
C4 | N3 | HN3 | 116.4° | 116.6° |
N3 | C4 | O4 | 119.8° | 123.6° |
N3 | C4 | C5 | 115.3° | 114.8° |
O4 | C4 | C5 | 124.9° | 121.6° |
C4 | C5 | C5M | 118.7° | 118.0° |
C5 | C5M | H71 | 107.2° | 109.7° |
C5 | C5M | H72 | 123.4° | 109.8° |
C5 | C5M | H73 | 107.3° | 109.7° |
H71 | C5M | H72 | 107.3° | 109.4° |
H71 | C5M | H73 | 102.5° | 109.4° |
H72 | C5M | H73 | 107.3° | 108.9° |
O2' | C2' | C3' | 106.6° | 112.3° |
O2' | C2' | H2' | 111.1° | 108.6° |
C2' | O2' | CB' | 118.6° | 111.9° |
C3' | C2' | H2' | 115.7° | 110.1° |
C2' | C3' | O3' | 114.2° | 110.3° |
C2' | C3' | H3' | 112.6° | 114.0° |
O2' | CB' | CC' | 105.8° | 109.0° |
O2' | CB' | HB'1 | 113.6° | 108.1° |
O2' | CB' | HB'2 | 113.6° | 108.2° |
CC' | CB' | HB'1 | 113.6° | 111.2° |
CC' | CB' | HB'2 | 113.6° | 110.5° |
CB' | CC' | OD' | 105.8° | 109.0° |
CB' | CC' | HC'1 | 113.6° | 111.1° |
CB' | CC' | HC'2 | 113.6° | 110.5° |
HB'1 | CB' | HB'2 | 96.9° | 109.7° |
OD' | CC' | HC'1 | 113.6° | 108.2° |
OD' | CC' | HC'2 | 113.6° | 108.3° |
CC' | OD' | NE' | 110.9° | 107.5° |
HC'1 | CC' | HC'2 | 96.9° | 109.7° |
OD' | NE' | CF' | 111.7° | 105.3° |
OD' | NE' | HE' | 111.4° | 101.1° |
CF' | NE' | HE' | 111.3° | 109.4° |
NE' | CF' | OG' | 112.4° | 113.0° |
NE' | CF' | HF'1 | 111.1° | 110.9° |
NE' | CF' | HF'2 | 111.1° | 109.1° |
OG' | CF' | HF'1 | 111.1° | 108.7° |
OG' | CF' | HF'2 | 111.1° | 107.5° |
CF' | OG' | HG' | 112.4° | 106.7° |
HF'1 | CF' | HF'2 | 99.2° | 107.4° |
O3' | C3' | H3' | 101.3° | 107.8° |
C3' | O3' | HO3' | 113.5° | 106.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP3 | P | OP2 | O5' | 126.0° | 107.7° |
OP3 | P | OP2 | OP1 | 153.2° | 126.5° |
OP3 | P | O5' | OP1 | 127.0° | 126.9° |
OP3 | P | OP2 | HOP2 | 180.0° | 78.5° |
OP3 | P | O5' | C5' | 49.3° | 53.2° |
OP2 | P | O5' | OP1 | 101.8° | 125.8° |
OP2 | P | OP3 | HOP3 | 180.0° | 77.5° |
OP2 | P | O5' | C5' | 179.5° | 54.2° |
O5' | P | OP3 | HOP3 | 52.7° | 175.4° |
O5' | P | OP2 | HOP2 | 54.0° | 173.8° |
P | O5' | C5' | C4' | 177.5° | 180.0° |
P | O5' | C5' | H5' | 52.3° | 59.9° |
P | O5' | C5' | H5'' | 57.2° | 59.9° |
OP1 | P | OP3 | HOP3 | 34.0° | 48.7° |
OP1 | P | OP2 | HOP2 | 26.8° | 48.0° |
OP1 | P | O5' | C5' | 77.7° | 179.9° |
O5' | C5' | C4' | H5' | 125.3° | 119.5° |
O5' | C5' | C4' | H5'' | 125.3° | 119.6° |
O5' | C5' | H5' | H5'' | 117.9° | 119.6° |
O5' | C5' | C4' | O4' | 70.9° | 62.4° |
O5' | C5' | C4' | C3' | 45.8° | 179.5° |
O5' | C5' | C4' | H4' | 165.0° | 54.6° |
C4' | C5' | H5' | H5'' | 117.9° | 121.2° |
C5' | C4' | O4' | C3' | 124.3° | 121.7° |
C5' | C4' | O4' | H4' | 116.5° | 118.1° |
C5' | C4' | C3' | H4' | 116.5° | 124.4° |
C5' | C4' | O4' | C1' | 145.0° | 109.0° |
C5' | C4' | C3' | C2' | 156.9° | 86.9° |
C5' | C4' | C3' | O3' | 79.4° | 156.8° |
C5' | C4' | C3' | H3' | 35.4° | 36.8° |
H5' | C5' | C4' | O4' | 54.3° | 57.1° |
H5' | C5' | C4' | C3' | 171.1° | 60.0° |
H5' | C5' | C4' | H4' | 69.8° | 174.1° |
H5'' | C5' | C4' | O4' | 163.8° | 178.0° |
H5'' | C5' | C4' | C3' | 79.4° | 60.9° |
H5'' | C5' | C4' | H4' | 39.7° | 65.0° |
O4' | C4' | C3' | H4' | 124.1° | 117.2° |
C4' | O4' | C1' | N1 | 116.5° | 132.9° |
C4' | O4' | C1' | C2' | 4.5° | 11.3° |
C4' | O4' | C1' | H1' | 124.3° | 110.3° |
O4' | C4' | C3' | C2' | 37.5° | 31.5° |
O4' | C4' | C3' | O3' | 161.2° | 84.7° |
O4' | C4' | C3' | H3' | 84.0° | 155.2° |
C3' | C4' | O4' | C1' | 20.7° | 12.8° |
C4' | C3' | C2' | C1' | 38.8° | 37.1° |
C4' | C3' | C2' | O2' | 71.1° | 158.0° |
C4' | C3' | C2' | O3' | 123.2° | 114.5° |
C4' | C3' | C2' | H3' | 122.0° | 124.0° |
C4' | C3' | C2' | H2' | 164.9° | 80.9° |
C4' | C3' | O3' | H3' | 121.8° | 124.2° |
C4' | C3' | O3' | HO3' | 180.0° | 83.4° |
H4' | C4' | O4' | C1' | 98.5° | 133.0° |
H4' | C4' | C3' | C2' | 86.6° | 148.7° |
H4' | C4' | C3' | O3' | 37.1° | 32.5° |
H4' | C4' | C3' | H3' | 151.9° | 87.6° |
O4' | C1' | N1 | C2' | 118.6° | 117.9° |
O4' | C1' | N1 | H1' | 121.6° | 117.7° |
O4' | C1' | C2' | H1' | 121.6° | 119.3° |
O4' | C1' | N1 | C6 | 26.2° | 32.3° |
O4' | C1' | N1 | C2 | 154.9° | 147.8° |
O4' | C1' | C2' | O2' | 83.2° | 151.3° |
O4' | C1' | C2' | C3' | 27.4° | 30.7° |
O4' | C1' | C2' | H2' | 153.0° | 86.6° |
N1 | C1' | C2' | H1' | 119.2° | 121.4° |
C1' | N1 | C6 | C2 | 178.8° | 179.9° |
C1' | N1 | C6 | C5 | 176.5° | 180.0° |
C1' | N1 | C6 | H6 | 3.5° | 0.0° |
C1' | N1 | C2 | O2 | 0.8° | 0.1° |
C1' | N1 | C2 | N3 | 178.5° | 180.0° |
N1 | C1' | C2' | O2' | 157.6° | 89.4° |
N1 | C1' | C2' | C3' | 91.8° | 150.0° |
N1 | C1' | C2' | H2' | 33.8° | 32.7° |
C2' | C1' | N1 | C6 | 92.4° | 85.6° |
C2' | C1' | N1 | C2 | 86.5° | 94.3° |
C1' | C2' | O2' | C3' | 106.0° | 114.5° |
C1' | C2' | O2' | H2' | 127.2° | 123.5° |
C1' | C2' | C3' | H2' | 126.1° | 118.0° |
C1' | C2' | O2' | CB' | 77.9° | 174.5° |
C1' | C2' | C3' | O3' | 162.0° | 77.4° |
C1' | C2' | C3' | H3' | 83.3° | 161.1° |
H1' | C1' | N1 | C6 | 147.8° | 150.0° |
H1' | C1' | N1 | C2 | 33.3° | 30.1° |
H1' | C1' | C2' | O2' | 38.4° | 32.1° |
H1' | C1' | C2' | C3' | 149.0° | 88.5° |
H1' | C1' | C2' | H2' | 85.4° | 154.2° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
C6 | N1 | C2 | O2 | 179.7° | 180.0° |
C6 | N1 | C2 | N3 | 0.4° | 0.0° |
N1 | C6 | C5 | C4 | 1.8° | 0.0° |
N1 | C6 | C5 | C5M | 177.5° | 180.0° |
C2 | N1 | C6 | C5 | 2.3° | 0.0° |
C2 | N1 | C6 | H6 | 177.7° | 180.0° |
N1 | C2 | O2 | N3 | 179.3° | 179.9° |
N1 | C2 | N3 | C4 | 2.1° | 0.0° |
N1 | C2 | N3 | HN3 | 177.9° | 179.9° |
C6 | C5 | C4 | N3 | 0.5° | 0.0° |
C6 | C5 | C4 | O4 | 179.0° | 179.9° |
C6 | C5 | C4 | C5M | 179.3° | 180.0° |
C6 | C5 | C5M | H71 | 54.7° | 64.2° |
C6 | C5 | C5M | H72 | 180.0° | 56.0° |
C6 | C5 | C5M | H73 | 54.8° | 175.6° |
H6 | C6 | C5 | C4 | 178.2° | 180.0° |
H6 | C6 | C5 | C5M | 2.6° | 0.0° |
O2 | C2 | N3 | C4 | 177.2° | 179.9° |
O2 | C2 | N3 | HN3 | 2.7° | 0.0° |
C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
C2 | N3 | C4 | O4 | 176.9° | 179.9° |
C2 | N3 | C4 | C5 | 2.5° | 0.1° |
N3 | C4 | O4 | C5 | 179.4° | 180.0° |
N3 | C4 | C5 | C5M | 179.8° | 180.0° |
HN3 | N3 | C4 | O4 | 3.0° | 0.0° |
HN3 | N3 | C4 | C5 | 177.5° | 180.0° |
O4 | C4 | C5 | C5M | 0.3° | 0.1° |
C4 | C5 | C5M | H71 | 124.5° | 115.8° |
C4 | C5 | C5M | H72 | 0.7° | 124.0° |
C4 | C5 | C5M | H73 | 126.0° | 4.4° |
C5 | C5M | H71 | H72 | 134.4° | 120.5° |
C5 | C5M | H71 | H73 | 112.8° | 120.4° |
C5 | C5M | H72 | H73 | 125.3° | 120.1° |
H71 | C5M | H72 | H73 | 109.5° | 119.5° |
O2' | C2' | C3' | H2' | 124.0° | 121.1° |
C2' | O2' | CB' | CC' | 179.8° | 179.0° |
C2' | O2' | CB' | HB'1 | 54.6° | 60.0° |
C2' | O2' | CB' | HB'2 | 54.9° | 58.8° |
O2' | C2' | C3' | O3' | 52.1° | 43.5° |
O2' | C2' | C3' | H3' | 166.9° | 78.0° |
C3' | C2' | O2' | CB' | 176.1° | 60.0° |
C2' | C3' | O3' | H3' | 121.3° | 125.1° |
C2' | C3' | O3' | HO3' | 63.1° | 165.9° |
H2' | C2' | O2' | CB' | 49.3° | 62.0° |
H2' | C2' | C3' | O3' | 71.9° | 164.6° |
H2' | C2' | C3' | H3' | 42.9° | 43.1° |
O2' | CB' | CC' | HB'1 | 125.3° | 119.1° |
O2' | CB' | CC' | HB'2 | 125.3° | 118.8° |
O2' | CB' | HB'1 | HB'2 | 119.5° | 117.8° |
O2' | CB' | CC' | OD' | 70.9° | 60.8° |
O2' | CB' | CC' | HC'1 | 163.9° | 180.0° |
O2' | CB' | CC' | HC'2 | 54.4° | 58.0° |
CC' | CB' | HB'1 | HB'2 | 119.5° | 122.5° |
CB' | CC' | OD' | HC'1 | 125.2° | 121.0° |
CB' | CC' | OD' | HC'2 | 125.3° | 120.2° |
CB' | CC' | HC'1 | HC'2 | 119.5° | 122.4° |
CB' | CC' | OD' | NE' | 169.5° | 180.0° |
HB'1 | CB' | CC' | OD' | 54.4° | 180.0° |
HB'1 | CB' | CC' | HC'1 | 70.9° | 60.8° |
HB'1 | CB' | CC' | HC'2 | 179.7° | 61.1° |
HB'2 | CB' | CC' | OD' | 163.8° | 58.0° |
HB'2 | CB' | CC' | HC'1 | 38.6° | 61.2° |
HB'2 | CB' | CC' | HC'2 | 70.9° | 176.9° |
OD' | CC' | HC'1 | HC'2 | 119.5° | 117.9° |
CC' | OD' | NE' | CF' | 164.7° | 173.9° |
CC' | OD' | NE' | HE' | 70.0° | 60.0° |
HC'1 | CC' | OD' | NE' | 44.3° | 59.0° |
HC'2 | CC' | OD' | NE' | 65.2° | 59.8° |
OD' | NE' | CF' | HE' | 125.2° | 107.9° |
OD' | NE' | CF' | OG' | 53.9° | 72.1° |
OD' | NE' | CF' | HF'1 | 179.2° | 50.3° |
OD' | NE' | CF' | HF'2 | 71.4° | 168.4° |
NE' | CF' | OG' | HF'1 | 125.3° | 123.6° |
NE' | CF' | OG' | HF'2 | 125.3° | 120.5° |
NE' | CF' | HF'1 | HF'2 | 117.0° | 119.1° |
NE' | CF' | OG' | HG' | 180.0° | 51.6° |
HE' | NE' | CF' | OG' | 71.3° | 180.0° |
HE' | NE' | CF' | HF'1 | 54.0° | 57.6° |
HE' | NE' | CF' | HF'2 | 163.4° | 60.5° |
OG' | CF' | HF'1 | HF'2 | 117.0° | 116.0° |
HF'1 | CF' | OG' | HG' | 54.7° | 72.0° |
HF'2 | CF' | OG' | HG' | 54.7° | 172.1° |
H3' | C3' | O3' | HO3' | 58.2° | 40.8° |