TFE
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 | 10.50Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.43Å | |
C5' | C4' | sing | 1.52Å | 1.49Å | |
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 | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C1' | N1 | sing | 1.43Å | 1.48Å | |
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 | 1.33Å | |
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 | 1.38Å | |
N3 | HN3 | sing | 1.02Å | 1.02Å | |
C4 | O4 | doub | 1.23Å | 1.22Å | |
C4 | C5 | sing | 1.49Å | 1.46Å | |
C5 | C5M | sing | 1.50Å | 1.50Å | |
C5M | H71 | sing | 1.09Å | 1.11Å | |
C5M | H72 | sing | 1.09Å | 1.11Å | |
C5M | H73 | sing | 1.09Å | 1.11Å | |
C2' | O2' | sing | 1.41Å | 1.42Å | |
C2' | C3' | sing | 1.51Å | 1.52Å | |
C2' | H2' | sing | 1.10Å | 1.12Å | |
O2' | CB' | sing | 1.42Å | 1.42Å | |
CB' | CC' | sing | 1.51Å | 1.47Å | |
CB' | HB'1 | sing | 1.09Å | 1.12Å | |
CB' | HB'2 | sing | 1.09Å | 1.12Å | |
CC' | FD' | sing | 1.35Å | 1.32Å | |
CC' | FE' | sing | 1.35Å | 1.32Å | |
CC' | FF' | sing | 1.35Å | 1.32Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
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' | 108.2° | 115.0° |
OP1 | P | OP3 | 114.9° | 114.9° |
OP2 | P | O5' | 109.9° | 103.8° |
OP2 | P | OP3 | 85.1° | 103.3° |
P | OP2 | HOP2 | 119.1° | 119.0° |
O5' | P | OP3 | 26.6° | 102.9° |
P | O5' | C5' | 119.7° | 118.5° |
P | OP3 | HOP3 | 114.9° | 119.0° |
O5' | C5' | C4' | 109.8° | 108.6° |
O5' | C5' | H5' | 112.1° | 109.2° |
O5' | C5' | H5'' | 112.1° | 109.3° |
C4' | C5' | H5' | 112.1° | 110.1° |
C4' | C5' | H5'' | 112.1° | 110.1° |
C5' | C4' | O4' | 110.2° | 108.2° |
C5' | C4' | C3' | 115.3° | 113.3° |
C5' | C4' | H4' | 103.2° | 109.3° |
H5' | C5' | H5'' | 98.3° | 109.6° |
O4' | C4' | C3' | 103.6° | 105.9° |
O4' | C4' | H4' | 115.0° | 107.7° |
C4' | O4' | C1' | 109.0° | 109.2° |
C3' | C4' | H4' | 109.9° | 112.2° |
C4' | C3' | C2' | 102.1° | 102.1° |
C4' | C3' | O3' | 113.1° | 107.9° |
C4' | C3' | H3' | 113.5° | 114.5° |
O4' | C1' | N1 | 109.2° | 109.0° |
O4' | C1' | C2' | 107.9° | 106.5° |
O4' | C1' | H1' | 110.7° | 108.9° |
N1 | C1' | C2' | 109.7° | 112.5° |
N1 | C1' | H1' | 109.0° | 107.3° |
C1' | N1 | C6 | 123.1° | 118.5° |
C1' | N1 | C2 | 115.3° | 121.3° |
C2' | C1' | H1' | 110.3° | 112.6° |
C1' | C2' | O2' | 109.6° | 112.6° |
C1' | C2' | C3' | 100.8° | 102.0° |
C1' | C2' | H2' | 113.7° | 111.1° |
C6 | N1 | C2 | 121.6° | 120.2° |
N1 | C6 | C5 | 123.3° | 124.5° |
N1 | C6 | H6 | 120.2° | 114.7° |
N1 | C2 | O2 | 122.2° | 123.8° |
N1 | C2 | N3 | 114.9° | 115.1° |
C5 | C6 | H6 | 116.5° | 120.7° |
C6 | C5 | C4 | 117.9° | 118.4° |
C6 | C5 | C5M | 122.8° | 123.6° |
O2 | C2 | N3 | 122.8° | 121.1° |
C2 | N3 | C4 | 126.8° | 127.0° |
C2 | N3 | HN3 | 116.1° | 116.4° |
C4 | N3 | HN3 | 117.1° | 116.6° |
N3 | C4 | O4 | 119.7° | 123.6° |
N3 | C4 | C5 | 115.4° | 114.8° |
O4 | C4 | C5 | 124.9° | 121.6° |
C4 | C5 | C5M | 119.3° | 118.0° |
C5 | C5M | H71 | 107.5° | 109.7° |
C5 | C5M | H72 | 122.8° | 109.8° |
C5 | C5M | H73 | 107.5° | 109.7° |
H71 | C5M | H72 | 107.5° | 109.4° |
H71 | C5M | H73 | 102.3° | 109.4° |
H72 | C5M | H73 | 107.5° | 108.9° |
O2' | C2' | C3' | 105.8° | 112.3° |
O2' | C2' | H2' | 109.3° | 108.6° |
C2' | O2' | CB' | 116.1° | 111.9° |
C3' | C2' | H2' | 117.1° | 110.1° |
C2' | C3' | O3' | 113.6° | 110.3° |
C2' | C3' | H3' | 113.0° | 114.0° |
O2' | CB' | CC' | 107.8° | 109.1° |
O2' | CB' | HB'1 | 112.8° | 108.7° |
O2' | CB' | HB'2 | 112.8° | 108.7° |
CC' | CB' | HB'1 | 112.8° | 110.6° |
CC' | CB' | HB'2 | 112.8° | 110.6° |
CB' | CC' | FD' | 109.6° | 110.6° |
CB' | CC' | FE' | 111.2° | 111.3° |
CB' | CC' | FF' | 112.7° | 111.3° |
HB'1 | CB' | HB'2 | 97.6° | 109.1° |
FD' | CC' | FE' | 108.1° | 107.7° |
FD' | CC' | FF' | 109.2° | 107.6° |
FE' | CC' | FF' | 105.9° | 108.1° |
O3' | C3' | H3' | 102.0° | 107.8° |
C3' | O3' | HO3' | 113.1° | 106.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | O5' | 125.5° | 126.6° |
OP1 | P | OP2 | OP3 | 115.9° | 126.2° |
OP1 | P | O5' | OP3 | 109.7° | 125.8° |
OP1 | P | OP2 | HOP2 | 180.0° | 48.7° |
OP1 | P | O5' | C5' | 48.2° | 179.9° |
OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
OP2 | P | O5' | OP3 | 21.9° | 107.4° |
OP2 | P | O5' | C5' | 179.7° | 53.2° |
OP2 | P | OP3 | HOP3 | 60.1° | 78.5° |
O5' | P | OP2 | HOP2 | 54.5° | 175.4° |
P | O5' | C5' | C4' | 172.3° | 180.0° |
P | O5' | C5' | H5' | 47.1° | 59.9° |
P | O5' | C5' | H5'' | 62.4° | 59.9° |
O5' | P | OP3 | HOP3 | 99.3° | 173.8° |
OP3 | P | OP2 | HOP2 | 64.1° | 77.5° |
OP3 | P | O5' | C5' | 157.8° | 54.2° |
O5' | C5' | C4' | H5' | 125.3° | 119.5° |
O5' | C5' | C4' | H5'' | 125.3° | 119.6° |
O5' | C5' | H5' | H5'' | 118.0° | 119.6° |
O5' | C5' | C4' | O4' | 69.2° | 62.4° |
O5' | C5' | C4' | C3' | 47.7° | 179.5° |
O5' | C5' | C4' | H4' | 167.5° | 54.6° |
C4' | C5' | H5' | H5'' | 118.0° | 121.2° |
C5' | C4' | O4' | C3' | 124.0° | 121.7° |
C5' | C4' | O4' | H4' | 116.1° | 118.1° |
C5' | C4' | C3' | H4' | 116.1° | 124.4° |
C5' | C4' | O4' | C1' | 147.2° | 109.0° |
C5' | C4' | C3' | C2' | 159.1° | 86.9° |
C5' | C4' | C3' | O3' | 78.4° | 156.8° |
C5' | C4' | C3' | H3' | 37.2° | 36.8° |
H5' | C5' | C4' | O4' | 56.1° | 57.1° |
H5' | C5' | C4' | C3' | 173.0° | 60.0° |
H5' | C5' | C4' | H4' | 67.2° | 174.1° |
H5'' | C5' | C4' | O4' | 165.6° | 178.0° |
H5'' | C5' | C4' | C3' | 77.6° | 60.9° |
H5'' | C5' | C4' | H4' | 42.3° | 65.0° |
O4' | C4' | C3' | H4' | 123.3° | 117.2° |
C4' | O4' | C1' | N1 | 117.7° | 132.9° |
C4' | O4' | C1' | C2' | 1.4° | 11.3° |
C4' | O4' | C1' | H1' | 122.2° | 110.3° |
O4' | C4' | C3' | C2' | 38.5° | 31.5° |
O4' | C4' | C3' | O3' | 161.1° | 84.7° |
O4' | C4' | C3' | H3' | 83.4° | 155.2° |
C3' | C4' | O4' | C1' | 23.3° | 12.8° |
C4' | C3' | C2' | C1' | 38.1° | 37.1° |
C4' | C3' | C2' | O2' | 76.0° | 158.0° |
C4' | C3' | C2' | O3' | 122.2° | 114.5° |
C4' | C3' | C2' | H3' | 122.3° | 124.0° |
C4' | C3' | C2' | H2' | 162.0° | 80.9° |
C4' | C3' | O3' | H3' | 122.2° | 124.2° |
C4' | C3' | O3' | HO3' | 180.0° | 15.2° |
H4' | C4' | O4' | C1' | 96.6° | 133.0° |
H4' | C4' | C3' | C2' | 84.8° | 148.7° |
H4' | C4' | C3' | O3' | 37.7° | 32.5° |
H4' | C4' | C3' | H3' | 153.3° | 87.6° |
O4' | C1' | N1 | C2' | 118.1° | 117.9° |
O4' | C1' | N1 | H1' | 121.1° | 117.7° |
O4' | C1' | C2' | H1' | 121.1° | 119.3° |
O4' | C1' | N1 | C6 | 25.7° | 32.3° |
O4' | C1' | N1 | C2 | 154.9° | 147.8° |
O4' | C1' | C2' | O2' | 85.9° | 151.3° |
O4' | C1' | C2' | C3' | 25.3° | 30.7° |
O4' | C1' | C2' | H2' | 151.4° | 86.6° |
N1 | C1' | C2' | H1' | 120.0° | 121.4° |
C1' | N1 | C6 | C2 | 179.3° | 179.9° |
C1' | N1 | C6 | C5 | 180.0° | 180.0° |
C1' | N1 | C6 | H6 | 0.1° | 0.0° |
C1' | N1 | C2 | O2 | 3.8° | 0.1° |
C1' | N1 | C2 | N3 | 178.1° | 180.0° |
N1 | C1' | C2' | O2' | 155.2° | 89.4° |
N1 | C1' | C2' | C3' | 93.6° | 150.0° |
N1 | C1' | C2' | H2' | 32.5° | 32.7° |
C2' | C1' | N1 | C6 | 92.3° | 85.6° |
C2' | C1' | N1 | C2 | 87.0° | 94.3° |
C1' | C2' | O2' | C3' | 107.9° | 114.5° |
C1' | C2' | O2' | H2' | 125.2° | 123.5° |
C1' | C2' | C3' | H2' | 123.8° | 118.0° |
C1' | C2' | O2' | CB' | 63.8° | 174.5° |
C1' | C2' | C3' | O3' | 160.3° | 77.4° |
C1' | C2' | C3' | H3' | 84.1° | 161.1° |
H1' | C1' | N1 | C6 | 146.8° | 150.0° |
H1' | C1' | N1 | C2 | 33.8° | 30.1° |
H1' | C1' | C2' | O2' | 35.1° | 32.1° |
H1' | C1' | C2' | C3' | 146.3° | 88.5° |
H1' | C1' | C2' | H2' | 87.6° | 154.2° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
C6 | N1 | C2 | O2 | 175.6° | 180.0° |
C6 | N1 | C2 | N3 | 2.5° | 0.0° |
N1 | C6 | C5 | C4 | 1.1° | 0.0° |
N1 | C6 | C5 | C5M | 178.8° | 180.0° |
C2 | N1 | C6 | C5 | 0.6° | 0.0° |
C2 | N1 | C6 | H6 | 179.4° | 180.0° |
N1 | C2 | O2 | N3 | 178.0° | 179.9° |
N1 | C2 | N3 | C4 | 3.0° | 0.0° |
N1 | C2 | N3 | HN3 | 177.0° | 179.9° |
C6 | C5 | C4 | N3 | 0.8° | 0.0° |
C6 | C5 | C4 | O4 | 180.0° | 180.0° |
C6 | C5 | C4 | C5M | 179.9° | 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 | 178.9° | 180.0° |
H6 | C6 | C5 | C5M | 1.2° | 0.0° |
O2 | C2 | N3 | C4 | 175.1° | 179.9° |
O2 | C2 | N3 | HN3 | 4.9° | 0.0° |
C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
C2 | N3 | C4 | O4 | 178.0° | 179.9° |
C2 | N3 | C4 | C5 | 1.3° | 0.1° |
N3 | C4 | O4 | C5 | 179.2° | 180.0° |
N3 | C4 | C5 | C5M | 179.1° | 180.0° |
HN3 | N3 | C4 | O4 | 2.1° | 0.0° |
HN3 | N3 | C4 | C5 | 178.7° | 180.0° |
O4 | C4 | C5 | C5M | 0.1° | 0.0° |
C4 | C5 | C5M | H71 | 125.2° | 115.8° |
C4 | C5 | C5M | H72 | 0.1° | 124.0° |
C4 | C5 | C5M | H73 | 125.4° | 4.4° |
C5 | C5M | H71 | H72 | 134.0° | 120.5° |
C5 | C5M | H71 | H73 | 113.0° | 120.4° |
C5 | C5M | H72 | H73 | 125.2° | 120.1° |
H71 | C5M | H72 | H73 | 109.5° | 119.5° |
O2' | C2' | C3' | H2' | 122.1° | 121.1° |
C2' | O2' | CB' | CC' | 173.3° | 179.4° |
C2' | O2' | CB' | HB'1 | 48.0° | 60.0° |
C2' | O2' | CB' | HB'2 | 61.4° | 58.6° |
O2' | C2' | C3' | O3' | 46.2° | 43.5° |
O2' | C2' | C3' | H3' | 161.8° | 78.0° |
C3' | C2' | O2' | CB' | 171.7° | 60.0° |
C2' | C3' | O3' | H3' | 121.9° | 125.1° |
C2' | C3' | O3' | HO3' | 64.1° | 95.6° |
H2' | C2' | O2' | CB' | 61.4° | 62.0° |
H2' | C2' | C3' | O3' | 75.8° | 164.6° |
H2' | C2' | C3' | H3' | 39.7° | 43.1° |
O2' | CB' | CC' | HB'1 | 125.3° | 119.5° |
O2' | CB' | CC' | HB'2 | 125.3° | 119.6° |
O2' | CB' | HB'1 | HB'2 | 118.8° | 118.4° |
O2' | CB' | CC' | FD' | 173.6° | 59.5° |
O2' | CB' | CC' | FE' | 54.1° | 179.3° |
O2' | CB' | CC' | FF' | 64.6° | 60.1° |
CC' | CB' | HB'1 | HB'2 | 118.7° | 121.9° |
CB' | CC' | FD' | FE' | 121.4° | 121.9° |
CB' | CC' | FD' | FF' | 123.9° | 121.8° |
CB' | CC' | FE' | FF' | 122.8° | 122.5° |
HB'1 | CB' | CC' | FD' | 48.3° | 60.0° |
HB'1 | CB' | CC' | FE' | 71.1° | 59.7° |
HB'1 | CB' | CC' | FF' | 170.1° | 179.6° |
HB'2 | CB' | CC' | FD' | 61.1° | 179.1° |
HB'2 | CB' | CC' | FE' | 179.4° | 61.2° |
HB'2 | CB' | CC' | FF' | 60.7° | 59.5° |
FD' | CC' | FE' | FF' | 116.9° | 116.1° |
H3' | C3' | O3' | HO3' | 57.7° | 139.4° |