BOE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | doub | 1.50Å | 1.49Å | |
P | OP2 | sing | 1.62Å | 1.48Å | |
P | O5' | sing | 1.62Å | 1.58Å | |
P | OP3 | sing | 1.62Å | 10.58Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.43Å | |
C5' | C4' | sing | 1.52Å | 1.50Å | |
C5' | H5' | sing | 1.09Å | 1.12Å | |
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 | 1.12Å | |
N1 | C6 | sing | 1.39Å | 1.38Å | |
N1 | C2 | sing | 1.41Å | 1.37Å | |
C6 | C5 | doub | 1.34Å | 1.34Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C2 | O2 | doub | 1.23Å | 1.22Å | |
C2 | N3 | sing | 1.40Å | 1.38Å | |
N3 | C4 | sing | 1.39Å | 1.38Å | |
N3 | HN3 | sing | 1.02Å | 1.02Å | |
C4 | O4 | doub | 1.23Å | 1.23Å | |
C4 | C5 | sing | 1.49Å | 1.45Å | |
C5 | C5M | sing | 1.50Å | 1.49Å | |
C5M | H71 | sing | 1.09Å | 1.12Å | |
C5M | H72 | sing | 1.09Å | 1.11Å | |
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 | 1.12Å | |
CB' | HB'2 | sing | 1.09Å | 1.11Å | |
CC' | OD' | sing | 1.42Å | 1.42Å | |
CC' | HC'1 | sing | 1.09Å | 1.11Å | |
CC' | HC'2 | sing | 1.09Å | 1.11Å | |
OD' | CE' | sing | 1.42Å | 1.41Å | |
CE' | CF' | sing | 1.50Å | 1.51Å | |
CE' | HE'1 | sing | 1.10Å | 1.12Å | |
CE' | HE'2 | sing | 1.10Å | 1.11Å | |
CF' | CG' | doub | 1.39Å | 1.39Å | Aromatic |
CF' | CK' | sing | 1.39Å | 1.39Å | Aromatic |
CG' | CH' | sing | 1.39Å | 1.40Å | Aromatic |
CG' | HG' | sing | 1.09Å | 1.10Å | |
CH' | CI' | doub | 1.39Å | 1.39Å | Aromatic |
CH' | HH' | sing | 1.09Å | 1.10Å | |
CI' | CJ' | sing | 1.40Å | 1.39Å | Aromatic |
CI' | HI' | sing | 1.09Å | 1.10Å | |
CJ' | CK' | doub | 1.39Å | 1.39Å | Aromatic |
CJ' | HJ' | sing | 1.09Å | 1.10Å | |
CK' | HK' | sing | 1.09Å | 1.10Å | |
C3' | O3' | sing | 1.43Å | 1.41Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 119.1° | 115.3° |
OP1 | P | O5' | 105.5° | 115.0° |
OP1 | P | OP3 | 111.8° | 114.9° |
OP2 | P | O5' | 110.1° | 103.8° |
OP2 | P | OP3 | 84.6° | 103.3° |
P | OP2 | HOP2 | 119.1° | 119.0° |
O5' | P | OP3 | 27.2° | 102.9° |
P | O5' | C5' | 119.6° | 118.5° |
P | OP3 | HOP3 | 111.8° | 119.0° |
O5' | C5' | C4' | 110.1° | 108.6° |
O5' | C5' | H5' | 112.0° | 109.2° |
O5' | C5' | H5'' | 111.9° | 109.3° |
C4' | C5' | H5' | 112.0° | 110.1° |
C4' | C5' | H5'' | 112.0° | 110.1° |
C5' | C4' | O4' | 109.7° | 108.2° |
C5' | C4' | C3' | 115.7° | 113.3° |
C5' | C4' | H4' | 103.3° | 109.3° |
H5' | C5' | H5'' | 98.5° | 109.6° |
O4' | C4' | C3' | 103.5° | 105.9° |
O4' | C4' | H4' | 115.5° | 107.7° |
C4' | O4' | C1' | 109.4° | 109.2° |
C3' | C4' | H4' | 109.5° | 112.2° |
C4' | C3' | C2' | 102.3° | 102.1° |
C4' | C3' | O3' | 113.8° | 107.9° |
C4' | C3' | H3' | 112.4° | 114.5° |
O4' | C1' | N1 | 108.8° | 109.0° |
O4' | C1' | C2' | 107.4° | 106.5° |
O4' | C1' | H1' | 112.1° | 108.9° |
N1 | C1' | C2' | 111.8° | 112.5° |
N1 | C1' | H1' | 107.7° | 107.3° |
C1' | N1 | C6 | 123.1° | 118.5° |
C1' | N1 | C2 | 115.6° | 121.3° |
C2' | C1' | H1' | 109.1° | 112.6° |
C1' | C2' | O2' | 108.6° | 112.6° |
C1' | C2' | C3' | 100.9° | 102.0° |
C1' | C2' | H2' | 113.7° | 111.1° |
C6 | N1 | C2 | 121.3° | 120.2° |
N1 | C6 | C5 | 123.3° | 124.5° |
N1 | C6 | H6 | 119.8° | 114.7° |
N1 | C2 | O2 | 122.0° | 123.8° |
N1 | C2 | N3 | 115.2° | 115.1° |
C5 | C6 | H6 | 116.9° | 120.7° |
C6 | C5 | C4 | 118.3° | 118.4° |
C6 | C5 | C5M | 123.5° | 123.6° |
O2 | C2 | N3 | 122.9° | 121.1° |
C2 | N3 | C4 | 126.6° | 127.0° |
C2 | N3 | HN3 | 116.5° | 116.4° |
C4 | N3 | HN3 | 116.9° | 116.6° |
N3 | C4 | O4 | 120.3° | 123.6° |
N3 | C4 | C5 | 115.3° | 114.8° |
O4 | C4 | C5 | 124.3° | 121.6° |
C4 | C5 | C5M | 118.2° | 118.0° |
C5 | C5M | H71 | 107.2° | 109.7° |
C5 | C5M | H72 | 123.5° | 109.8° |
C5 | C5M | H73 | 107.2° | 109.7° |
H71 | C5M | H72 | 107.2° | 109.4° |
H71 | C5M | H73 | 102.5° | 109.4° |
H72 | C5M | H73 | 107.2° | 108.9° |
O2' | C2' | C3' | 104.3° | 112.3° |
O2' | C2' | H2' | 110.9° | 108.6° |
C2' | O2' | CB' | 115.1° | 111.9° |
C3' | C2' | H2' | 117.5° | 110.1° |
C2' | C3' | O3' | 112.3° | 110.3° |
C2' | C3' | H3' | 114.0° | 114.0° |
O2' | CB' | CC' | 105.5° | 109.0° |
O2' | CB' | HB'1 | 113.7° | 108.1° |
O2' | CB' | HB'2 | 113.7° | 108.2° |
CC' | CB' | HB'1 | 113.7° | 111.2° |
CC' | CB' | HB'2 | 113.7° | 110.5° |
CB' | CC' | OD' | 102.8° | 109.0° |
CB' | CC' | HC'1 | 114.7° | 111.1° |
CB' | CC' | HC'2 | 114.8° | 110.5° |
HB'1 | CB' | HB'2 | 96.8° | 109.7° |
OD' | CC' | HC'1 | 114.8° | 108.2° |
OD' | CC' | HC'2 | 114.7° | 108.3° |
CC' | OD' | CE' | 117.0° | 111.5° |
HC'1 | CC' | HC'2 | 95.7° | 109.7° |
OD' | CE' | CF' | 107.2° | 109.0° |
OD' | CE' | HE'1 | 113.1° | 109.0° |
OD' | CE' | HE'2 | 113.1° | 109.1° |
CF' | CE' | HE'1 | 113.0° | 111.0° |
CF' | CE' | HE'2 | 113.0° | 110.8° |
CE' | CF' | CG' | 121.1° | 119.7° |
CE' | CF' | CK' | 119.7° | 119.6° |
HE'1 | CE' | HE'2 | 97.4° | 107.9° |
CG' | CF' | CK' | 119.2° | 120.7° |
CF' | CG' | CH' | 119.6° | 119.7° |
CF' | CG' | HG' | 120.0° | 120.9° |
CF' | CK' | CJ' | 120.9° | 119.6° |
CF' | CK' | HK' | 119.4° | 120.9° |
CH' | CG' | HG' | 120.4° | 119.4° |
CG' | CH' | CI' | 121.4° | 120.0° |
CG' | CH' | HH' | 119.5° | 120.1° |
CI' | CH' | HH' | 119.1° | 119.9° |
CH' | CI' | CJ' | 118.8° | 120.0° |
CH' | CI' | HI' | 120.6° | 120.0° |
CJ' | CI' | HI' | 120.7° | 120.0° |
CI' | CJ' | CK' | 120.1° | 120.0° |
CI' | CJ' | HJ' | 119.9° | 120.0° |
CK' | CJ' | HJ' | 120.1° | 120.0° |
CJ' | CK' | HK' | 119.6° | 119.5° |
O3' | C3' | H3' | 102.5° | 107.8° |
C3' | O3' | HO3' | 113.8° | 106.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | O5' | 121.9° | 126.6° |
OP1 | P | OP2 | OP3 | 112.0° | 126.2° |
OP1 | P | O5' | OP3 | 107.7° | 125.8° |
OP1 | P | OP2 | HOP2 | 180.0° | 48.7° |
OP1 | P | O5' | C5' | 46.1° | 179.9° |
OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
OP2 | P | O5' | OP3 | 21.9° | 107.4° |
OP2 | P | O5' | C5' | 175.7° | 53.2° |
OP2 | P | OP3 | HOP3 | 60.8° | 78.5° |
O5' | P | OP2 | HOP2 | 58.1° | 175.4° |
P | O5' | C5' | C4' | 173.4° | 180.0° |
P | O5' | C5' | H5' | 48.1° | 59.9° |
P | O5' | C5' | H5'' | 61.4° | 59.9° |
O5' | P | OP3 | HOP3 | 98.6° | 173.8° |
OP3 | P | OP2 | HOP2 | 68.0° | 77.5° |
OP3 | P | O5' | C5' | 153.8° | 54.2° |
O5' | C5' | C4' | H5' | 125.3° | 119.5° |
O5' | C5' | C4' | H5'' | 125.2° | 119.6° |
O5' | C5' | H5' | H5'' | 117.9° | 119.6° |
O5' | C5' | C4' | O4' | 65.9° | 62.4° |
O5' | C5' | C4' | C3' | 50.7° | 179.5° |
O5' | C5' | C4' | H4' | 170.4° | 54.6° |
C4' | C5' | H5' | H5'' | 117.9° | 121.2° |
C5' | C4' | O4' | C3' | 124.0° | 121.7° |
C5' | C4' | O4' | H4' | 116.2° | 118.1° |
C5' | C4' | C3' | H4' | 116.2° | 124.4° |
C5' | C4' | O4' | C1' | 146.3° | 109.0° |
C5' | C4' | C3' | C2' | 158.1° | 86.9° |
C5' | C4' | C3' | O3' | 80.5° | 156.8° |
C5' | C4' | C3' | H3' | 35.4° | 36.8° |
H5' | C5' | C4' | O4' | 59.4° | 57.1° |
H5' | C5' | C4' | C3' | 176.0° | 60.0° |
H5' | C5' | C4' | H4' | 64.3° | 174.1° |
H5'' | C5' | C4' | O4' | 168.9° | 178.0° |
H5'' | C5' | C4' | C3' | 74.5° | 60.9° |
H5'' | C5' | C4' | H4' | 45.1° | 65.0° |
O4' | C4' | C3' | H4' | 123.8° | 117.2° |
C4' | O4' | C1' | N1 | 118.6° | 132.9° |
C4' | O4' | C1' | C2' | 2.6° | 11.3° |
C4' | O4' | C1' | H1' | 122.4° | 110.3° |
O4' | C4' | C3' | C2' | 38.1° | 31.5° |
O4' | C4' | C3' | O3' | 159.4° | 84.7° |
O4' | C4' | C3' | H3' | 84.6° | 155.2° |
C3' | C4' | O4' | C1' | 22.2° | 12.8° |
C4' | C3' | C2' | C1' | 38.5° | 37.1° |
C4' | C3' | C2' | O2' | 74.1° | 158.0° |
C4' | C3' | C2' | O3' | 122.4° | 114.5° |
C4' | C3' | C2' | H3' | 121.6° | 124.0° |
C4' | C3' | C2' | H2' | 162.7° | 80.9° |
C4' | C3' | O3' | H3' | 121.7° | 124.2° |
C4' | C3' | O3' | HO3' | 180.0° | 15.2° |
H4' | C4' | O4' | C1' | 97.5° | 133.0° |
H4' | C4' | C3' | C2' | 85.7° | 148.7° |
H4' | C4' | C3' | O3' | 35.6° | 32.5° |
H4' | C4' | C3' | H3' | 151.6° | 87.6° |
O4' | C1' | N1 | C2' | 118.4° | 117.9° |
O4' | C1' | N1 | H1' | 121.7° | 117.7° |
O4' | C1' | C2' | H1' | 121.7° | 119.3° |
O4' | C1' | N1 | C6 | 24.7° | 32.3° |
O4' | C1' | N1 | C2 | 155.5° | 147.8° |
O4' | C1' | C2' | O2' | 83.2° | 151.3° |
O4' | C1' | C2' | C3' | 26.1° | 30.7° |
O4' | C1' | C2' | H2' | 152.9° | 86.6° |
N1 | C1' | C2' | H1' | 119.0° | 121.4° |
C1' | N1 | C6 | C2 | 179.7° | 179.9° |
C1' | N1 | C6 | C5 | 178.2° | 180.0° |
C1' | N1 | C6 | H6 | 1.8° | 0.0° |
C1' | N1 | C2 | O2 | 1.0° | 0.1° |
C1' | N1 | C2 | N3 | 178.8° | 180.0° |
N1 | C1' | C2' | O2' | 157.5° | 89.4° |
N1 | C1' | C2' | C3' | 93.2° | 150.0° |
N1 | C1' | C2' | H2' | 33.6° | 32.7° |
C2' | C1' | N1 | C6 | 93.7° | 85.6° |
C2' | C1' | N1 | C2 | 86.0° | 94.3° |
C1' | C2' | O2' | C3' | 107.0° | 114.5° |
C1' | C2' | O2' | H2' | 125.6° | 123.5° |
C1' | C2' | C3' | H2' | 124.2° | 118.0° |
C1' | C2' | O2' | CB' | 66.0° | 174.5° |
C1' | C2' | C3' | O3' | 160.9° | 77.4° |
C1' | C2' | C3' | H3' | 83.1° | 161.1° |
H1' | C1' | N1 | C6 | 146.5° | 150.0° |
H1' | C1' | N1 | C2 | 33.8° | 30.1° |
H1' | C1' | C2' | O2' | 38.6° | 32.1° |
H1' | C1' | C2' | C3' | 147.8° | 88.5° |
H1' | C1' | C2' | H2' | 85.4° | 154.2° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
C6 | N1 | C2 | O2 | 179.3° | 180.0° |
C6 | N1 | C2 | N3 | 1.0° | 0.0° |
N1 | C6 | C5 | C4 | 0.7° | 0.0° |
N1 | C6 | C5 | C5M | 178.4° | 180.0° |
C2 | N1 | C6 | C5 | 1.5° | 0.0° |
C2 | N1 | C6 | H6 | 178.5° | 180.0° |
N1 | C2 | O2 | N3 | 179.7° | 179.9° |
N1 | C2 | N3 | C4 | 0.3° | 0.0° |
N1 | C2 | N3 | HN3 | 179.7° | 179.9° |
C6 | C5 | C4 | N3 | 0.5° | 0.0° |
C6 | C5 | C4 | O4 | 178.5° | 180.0° |
C6 | C5 | C4 | C5M | 179.1° | 180.0° |
C6 | C5 | C5M | H71 | 54.7° | 64.2° |
C6 | C5 | C5M | H72 | 180.0° | 56.0° |
C6 | C5 | C5M | H73 | 54.7° | 175.6° |
H6 | C6 | C5 | C4 | 179.3° | 180.0° |
H6 | C6 | C5 | C5M | 1.6° | 0.0° |
O2 | C2 | N3 | C4 | 179.5° | 179.9° |
O2 | C2 | N3 | HN3 | 0.5° | 0.0° |
C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
C2 | N3 | C4 | O4 | 178.0° | 179.9° |
C2 | N3 | C4 | C5 | 1.0° | 0.1° |
N3 | C4 | O4 | C5 | 178.9° | 180.0° |
N3 | C4 | C5 | C5M | 179.6° | 180.0° |
HN3 | N3 | C4 | O4 | 2.0° | 0.0° |
HN3 | N3 | C4 | C5 | 179.0° | 180.0° |
O4 | C4 | C5 | C5M | 0.6° | 0.0° |
C4 | C5 | C5M | H71 | 124.3° | 115.8° |
C4 | C5 | C5M | H72 | 0.9° | 124.0° |
C4 | C5 | C5M | H73 | 126.2° | 4.4° |
C5 | C5M | H71 | H72 | 134.5° | 120.5° |
C5 | C5M | H71 | H73 | 112.7° | 120.4° |
C5 | C5M | H72 | H73 | 125.3° | 120.1° |
H71 | C5M | H72 | H73 | 109.5° | 119.5° |
O2' | C2' | C3' | H2' | 123.2° | 121.1° |
C2' | O2' | CB' | CC' | 179.1° | 179.0° |
C2' | O2' | CB' | HB'1 | 53.8° | 60.0° |
C2' | O2' | CB' | HB'2 | 55.7° | 58.8° |
O2' | C2' | C3' | O3' | 48.3° | 43.5° |
O2' | C2' | C3' | H3' | 164.3° | 78.0° |
C3' | C2' | O2' | CB' | 173.0° | 60.0° |
C2' | C3' | O3' | H3' | 122.7° | 125.1° |
C2' | C3' | O3' | HO3' | 64.4° | 95.6° |
H2' | C2' | O2' | CB' | 59.6° | 62.0° |
H2' | C2' | C3' | O3' | 74.9° | 164.6° |
H2' | C2' | C3' | H3' | 41.1° | 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 | 119.6° | 117.8° |
O2' | CB' | CC' | OD' | 50.7° | 60.8° |
O2' | CB' | CC' | HC'1 | 176.0° | 180.0° |
O2' | CB' | CC' | HC'2 | 74.5° | 58.0° |
CC' | CB' | HB'1 | HB'2 | 119.6° | 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 | 120.6° | 122.4° |
CB' | CC' | OD' | CE' | 161.7° | 179.0° |
HB'1 | CB' | CC' | OD' | 74.5° | 180.0° |
HB'1 | CB' | CC' | HC'1 | 50.7° | 60.8° |
HB'1 | CB' | CC' | HC'2 | 160.2° | 61.1° |
HB'2 | CB' | CC' | OD' | 176.0° | 58.0° |
HB'2 | CB' | CC' | HC'1 | 58.8° | 61.2° |
HB'2 | CB' | CC' | HC'2 | 50.7° | 176.9° |
OD' | CC' | HC'1 | HC'2 | 120.6° | 117.9° |
CC' | OD' | CE' | CF' | 169.4° | 180.0° |
CC' | OD' | CE' | HE'1 | 44.2° | 58.7° |
CC' | OD' | CE' | HE'2 | 65.3° | 58.9° |
HC'1 | CC' | OD' | CE' | 36.4° | 60.0° |
HC'2 | CC' | OD' | CE' | 73.1° | 58.8° |
OD' | CE' | CF' | HE'1 | 125.3° | 120.1° |
OD' | CE' | CF' | HE'2 | 125.3° | 120.1° |
OD' | CE' | HE'1 | HE'2 | 119.0° | 118.4° |
OD' | CE' | CF' | CG' | 74.9° | 90.0° |
OD' | CE' | CF' | CK' | 104.8° | 90.0° |
CF' | CE' | HE'1 | HE'2 | 119.0° | 121.5° |
CE' | CF' | CG' | CK' | 179.7° | 180.0° |
CE' | CF' | CG' | CH' | 179.5° | 180.0° |
CE' | CF' | CG' | HG' | 0.5° | 0.0° |
CE' | CF' | CK' | CJ' | 179.6° | 180.0° |
CE' | CF' | CK' | HK' | 0.4° | 0.0° |
HE'1 | CE' | CF' | CG' | 159.9° | 30.1° |
HE'1 | CE' | CF' | CK' | 20.5° | 149.9° |
HE'2 | CE' | CF' | CG' | 50.4° | 149.9° |
HE'2 | CE' | CF' | CK' | 130.0° | 30.1° |
CF' | CG' | CH' | HG' | 180.0° | 180.0° |
CF' | CG' | CH' | CI' | 0.0° | 0.0° |
CF' | CG' | CH' | HH' | 180.0° | 180.0° |
CG' | CF' | CK' | CJ' | 0.1° | 0.0° |
CG' | CF' | CK' | HK' | 179.9° | 180.0° |
CK' | CF' | CG' | CH' | 0.1° | 0.0° |
CK' | CF' | CG' | HG' | 179.9° | 180.0° |
CF' | CK' | CJ' | CI' | 0.0° | 0.0° |
CF' | CK' | CJ' | HK' | 180.0° | 180.0° |
CF' | CK' | CJ' | HJ' | 180.0° | 180.0° |
CG' | CH' | CI' | HH' | 180.0° | 180.0° |
CG' | CH' | CI' | CJ' | 0.1° | 0.0° |
CG' | CH' | CI' | HI' | 179.9° | 180.0° |
HG' | CG' | CH' | CI' | 180.0° | 180.0° |
HG' | CG' | CH' | HH' | 0.0° | 0.0° |
CH' | CI' | CJ' | HI' | 180.0° | 179.9° |
CH' | CI' | CJ' | CK' | 0.1° | 0.0° |
CH' | CI' | CJ' | HJ' | 179.9° | 180.0° |
HH' | CH' | CI' | CJ' | 179.9° | 179.9° |
HH' | CH' | CI' | HI' | 0.1° | 0.0° |
CI' | CJ' | CK' | HJ' | 180.0° | 180.0° |
CI' | CJ' | CK' | HK' | 180.0° | 180.0° |
HI' | CI' | CJ' | CK' | 179.9° | 180.0° |
HI' | CI' | CJ' | HJ' | 0.1° | 0.0° |
HJ' | CJ' | CK' | HK' | 0.0° | 0.0° |
H3' | C3' | O3' | HO3' | 58.3° | 139.4° |