FA5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O | doub | 1.21Å | 1.25Å | |
C | CA | sing | 1.51Å | 1.52Å | |
C | OP3 | sing | 1.34Å | 1.48Å | |
CA | N | sing | 1.47Å | 1.45Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | HA | sing | 1.09Å | 1.11Å | |
N | HN1 | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
CB | CG | sing | 1.51Å | 1.48Å | |
CB | HB1 | sing | 1.09Å | 1.12Å | |
CB | HB2 | sing | 1.09Å | 1.12Å | |
CG | CD1 | doub | 1.38Å | 1.42Å | Aromatic |
CG | CD2 | sing | 1.38Å | 1.42Å | Aromatic |
CD1 | CE1 | sing | 1.38Å | 1.41Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.10Å | |
CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.10Å | |
CE1 | CZ | doub | 1.38Å | 1.41Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.10Å | |
CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
CE2 | HE2 | sing | 1.08Å | 1.10Å | |
CZ | HZ | sing | 1.08Å | 1.10Å | |
P | OP1 | doub | 1.48Å | 1.49Å | |
P | OP2 | sing | 1.61Å | 1.48Å | |
P | OP3 | sing | 1.61Å | 1.63Å | |
P | O5' | sing | 1.61Å | 1.65Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.47Å | |
C5' | C4' | sing | 1.53Å | 1.56Å | |
C5' | H5' | sing | 1.09Å | 1.11Å | |
C5' | H5'' | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.48Å | |
C4' | C3' | sing | 1.54Å | 1.54Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.46Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.55Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO'3 | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.45Å | |
C2' | C1' | sing | 1.55Å | 1.56Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.53Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.36Å | 1.26Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.41Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.41Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.41Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.48Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.37Å | |
C6 | N1 | doub | 1.33Å | 1.39Å | Aromatic |
N6 | H61 | sing | 0.97Å | 1.02Å | |
N6 | H62 | sing | 0.97Å | 1.02Å | |
N1 | C2 | sing | 1.32Å | 1.55Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.33Å | 1.38Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 119.4° | 120.0° |
O | C | OP3 | 126.1° | 120.0° |
CA | C | OP3 | 114.5° | 120.0° |
C | CA | N | 113.3° | 109.5° |
C | CA | CB | 107.0° | 109.5° |
C | CA | HA | 109.3° | 109.4° |
C | OP3 | P | 108.9° | 120.1° |
N | CA | CB | 111.5° | 109.5° |
N | CA | HA | 104.6° | 109.4° |
CA | N | HN1 | 113.3° | 106.7° |
CA | N | HN2 | 110.8° | 106.7° |
CB | CA | HA | 111.2° | 109.5° |
CA | CB | CG | 115.4° | 109.5° |
CA | CB | HB1 | 110.1° | 109.5° |
CA | CB | HB2 | 110.1° | 109.5° |
HN1 | N | HN2 | 110.8° | 106.6° |
CG | CB | HB1 | 110.0° | 109.4° |
CG | CB | HB2 | 110.1° | 109.5° |
CB | CG | CD1 | 121.1° | 120.0° |
CB | CG | CD2 | 121.2° | 120.0° |
HB1 | CB | HB2 | 100.1° | 109.4° |
CD1 | CG | CD2 | 117.7° | 120.0° |
CG | CD1 | CE1 | 120.7° | 120.0° |
CG | CD1 | HD1 | 120.0° | 120.0° |
CG | CD2 | CE2 | 121.2° | 120.0° |
CG | CD2 | HD2 | 120.1° | 120.0° |
CE1 | CD1 | HD1 | 119.3° | 120.0° |
CD1 | CE1 | CZ | 121.0° | 120.0° |
CD1 | CE1 | HE1 | 119.3° | 120.0° |
CE2 | CD2 | HD2 | 118.7° | 120.0° |
CD2 | CE2 | CZ | 120.9° | 120.0° |
CD2 | CE2 | HE2 | 119.4° | 120.0° |
CZ | CE1 | HE1 | 119.6° | 120.0° |
CE1 | CZ | CE2 | 118.5° | 120.0° |
CE1 | CZ | HZ | 121.0° | 120.0° |
CZ | CE2 | HE2 | 119.7° | 120.0° |
CE2 | CZ | HZ | 120.5° | 120.0° |
OP1 | P | OP2 | 115.5° | 109.5° |
OP1 | P | OP3 | 111.3° | 109.4° |
OP1 | P | O5' | 110.5° | 109.4° |
OP2 | P | OP3 | 107.8° | 109.5° |
OP2 | P | O5' | 107.1° | 109.5° |
P | OP2 | HOP2 | 115.5° | 106.8° |
OP3 | P | O5' | 103.9° | 109.5° |
P | O5' | C5' | 121.2° | 106.8° |
O5' | C5' | C4' | 112.2° | 109.5° |
O5' | C5' | H5' | 111.2° | 109.5° |
O5' | C5' | H5'' | 111.2° | 109.5° |
C4' | C5' | H5' | 111.2° | 109.5° |
C4' | C5' | H5'' | 111.2° | 109.5° |
C5' | C4' | O4' | 107.4° | 109.9° |
C5' | C4' | C3' | 114.8° | 109.9° |
C5' | C4' | H4' | 105.9° | 109.9° |
H5' | C5' | H5'' | 99.2° | 109.4° |
O4' | C4' | C3' | 104.6° | 107.4° |
O4' | C4' | H4' | 115.9° | 109.9° |
C4' | O4' | C1' | 108.2° | 107.0° |
C3' | C4' | H4' | 108.6° | 109.8° |
C4' | C3' | O3' | 113.1° | 110.8° |
C4' | C3' | C2' | 105.4° | 104.0° |
C4' | C3' | H3' | 112.0° | 110.5° |
O4' | C1' | C2' | 108.1° | 103.5° |
O4' | C1' | N9 | 106.8° | 110.6° |
O4' | C1' | H1' | 114.2° | 110.6° |
O3' | C3' | C2' | 115.0° | 110.5° |
O3' | C3' | H3' | 101.6° | 110.4° |
C3' | O3' | HO'3 | 113.1° | 106.8° |
C2' | C3' | H3' | 109.9° | 110.5° |
C3' | C2' | O2' | 114.8° | 110.9° |
C3' | C2' | C1' | 103.9° | 102.2° |
C3' | C2' | H2' | 112.0° | 111.0° |
O2' | C2' | C1' | 115.3° | 111.0° |
O2' | C2' | H2' | 99.6° | 110.7° |
C2' | O2' | HO2' | 114.8° | 106.8° |
C1' | C2' | H2' | 111.5° | 110.9° |
C2' | C1' | N9 | 115.0° | 110.8° |
C2' | C1' | H1' | 105.8° | 110.5° |
N9 | C1' | H1' | 107.1° | 110.6° |
C1' | N9 | C8 | 125.9° | 126.2° |
C1' | N9 | C4 | 128.1° | 126.3° |
C8 | N9 | C4 | 105.8° | 107.5° |
N9 | C8 | N7 | 118.4° | 109.9° |
N9 | C8 | H8 | 115.4° | 125.0° |
N9 | C4 | C5 | 105.5° | 106.0° |
N9 | C4 | N3 | 125.9° | 134.9° |
N7 | C8 | H8 | 126.2° | 125.0° |
C8 | N7 | C5 | 98.5° | 109.5° |
N7 | C5 | C6 | 134.4° | 134.7° |
N7 | C5 | C4 | 111.3° | 107.1° |
C6 | C5 | C4 | 114.3° | 118.2° |
C5 | C6 | N6 | 122.0° | 120.8° |
C5 | C6 | N1 | 118.7° | 118.5° |
C5 | C4 | N3 | 128.7° | 119.1° |
N6 | C6 | N1 | 119.3° | 120.7° |
C6 | N6 | H61 | 121.9° | 120.0° |
C6 | N6 | H62 | 107.8° | 120.0° |
C6 | N1 | C2 | 121.0° | 121.2° |
H61 | N6 | H62 | 107.7° | 120.0° |
N1 | C2 | N3 | 117.9° | 122.5° |
N1 | C2 | H2 | 128.6° | 118.8° |
N3 | C2 | H2 | 113.5° | 118.8° |
C2 | N3 | C4 | 119.4° | 120.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OP3 | 179.6° | 180.0° |
O | C | CA | N | 10.6° | 30.1° |
O | C | CA | CB | 112.7° | 90.0° |
O | C | CA | HA | 126.8° | 150.0° |
O | C | OP3 | P | 0.1° | 0.0° |
C | CA | N | CB | 120.7° | 120.1° |
C | CA | N | HA | 119.0° | 119.9° |
C | CA | CB | HA | 119.3° | 120.0° |
C | CA | N | HN1 | 179.9° | 60.1° |
C | CA | N | HN2 | 54.7° | 173.8° |
C | CA | CB | CG | 165.6° | 180.0° |
C | CA | CB | HB1 | 69.1° | 60.0° |
C | CA | CB | HB2 | 40.2° | 60.0° |
CA | C | OP3 | P | 179.5° | 180.0° |
OP3 | C | CA | N | 169.8° | 150.0° |
OP3 | C | CA | CB | 67.0° | 89.9° |
OP3 | C | CA | HA | 53.5° | 30.1° |
C | OP3 | P | OP1 | 53.0° | 60.1° |
C | OP3 | P | OP2 | 179.4° | 60.0° |
C | OP3 | P | O5' | 66.0° | 180.0° |
N | CA | CB | HA | 116.4° | 120.0° |
CA | N | HN1 | HN2 | 125.2° | 113.7° |
N | CA | CB | CG | 70.1° | 59.9° |
N | CA | CB | HB1 | 55.2° | 60.0° |
N | CA | CB | HB2 | 164.6° | 180.0° |
CB | CA | N | HN1 | 59.2° | 60.0° |
CB | CA | N | HN2 | 66.0° | 53.7° |
CA | CB | CG | HB1 | 125.3° | 120.0° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 115.8° | 120.0° |
CA | CB | CG | CD1 | 82.3° | 90.0° |
CA | CB | CG | CD2 | 97.1° | 90.3° |
HA | CA | N | HN1 | 61.1° | 180.0° |
HA | CA | N | HN2 | 173.7° | 66.3° |
HA | CA | CB | CG | 46.3° | 60.0° |
HA | CA | CB | HB1 | 171.6° | 180.0° |
HA | CA | CB | HB2 | 79.0° | 60.0° |
CG | CB | HB1 | HB2 | 115.9° | 120.0° |
CB | CG | CD1 | CD2 | 179.4° | 179.7° |
CB | CG | CD1 | CE1 | 179.4° | 180.0° |
CB | CG | CD1 | HD1 | 0.6° | 0.1° |
CB | CG | CD2 | CE2 | 179.4° | 179.8° |
CB | CG | CD2 | HD2 | 0.7° | 0.3° |
HB1 | CB | CG | CD1 | 152.4° | 30.0° |
HB1 | CB | CG | CD2 | 28.2° | 149.7° |
HB2 | CB | CG | CD1 | 43.0° | 150.0° |
HB2 | CB | CG | CD2 | 137.6° | 29.7° |
CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
CD1 | CG | CD2 | CE2 | 0.1° | 0.5° |
CD1 | CG | CD2 | HD2 | 179.9° | 180.0° |
CG | CD1 | CE1 | CZ | 0.0° | 0.1° |
CG | CD1 | CE1 | HE1 | 179.9° | 179.9° |
CD2 | CG | CD1 | CE1 | 0.0° | 0.3° |
CD2 | CG | CD1 | HD1 | 180.0° | 179.8° |
CG | CD2 | CE2 | HD2 | 180.0° | 179.5° |
CG | CD2 | CE2 | CZ | 0.0° | 0.5° |
CG | CD2 | CE2 | HE2 | 180.0° | 179.7° |
CD1 | CE1 | CZ | HE1 | 179.9° | 180.0° |
CD1 | CE1 | CZ | CE2 | 0.1° | 0.0° |
CD1 | CE1 | CZ | HZ | 180.0° | 179.9° |
HD1 | CD1 | CE1 | CZ | 180.0° | 180.0° |
HD1 | CD1 | CE1 | HE1 | 0.1° | 0.0° |
CD2 | CE2 | CZ | CE1 | 0.0° | 0.2° |
CD2 | CE2 | CZ | HE2 | 180.0° | 179.8° |
CD2 | CE2 | CZ | HZ | 180.0° | 179.9° |
HD2 | CD2 | CE2 | CZ | 179.9° | 180.0° |
HD2 | CD2 | CE2 | HE2 | 0.1° | 0.2° |
CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
CE1 | CZ | CE2 | HE2 | 180.0° | 179.9° |
HE1 | CE1 | CZ | CE2 | 179.9° | 180.0° |
HE1 | CE1 | CZ | HZ | 0.1° | 0.1° |
HE2 | CE2 | CZ | HZ | 0.0° | 0.0° |
OP1 | P | OP2 | OP3 | 125.2° | 120.0° |
OP1 | P | OP2 | O5' | 123.6° | 120.0° |
OP1 | P | OP3 | O5' | 119.0° | 120.0° |
OP1 | P | OP2 | HOP2 | 179.9° | 180.0° |
OP1 | P | O5' | C5' | 176.4° | 60.0° |
OP2 | P | OP3 | O5' | 113.4° | 120.0° |
OP2 | P | O5' | C5' | 57.0° | 60.0° |
OP3 | P | OP2 | HOP2 | 54.9° | 60.0° |
OP3 | P | O5' | C5' | 56.9° | 180.0° |
O5' | P | OP2 | HOP2 | 56.3° | 60.0° |
P | O5' | C5' | C4' | 137.8° | 180.0° |
P | O5' | C5' | H5' | 12.6° | 60.0° |
P | O5' | C5' | H5'' | 96.9° | 59.9° |
O5' | C5' | C4' | H5' | 125.3° | 120.0° |
O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
O5' | C5' | H5' | H5'' | 117.1° | 120.0° |
O5' | C5' | C4' | O4' | 16.3° | 61.7° |
O5' | C5' | C4' | C3' | 99.6° | 179.7° |
O5' | C5' | C4' | H4' | 140.6° | 59.4° |
C4' | C5' | H5' | H5'' | 117.1° | 120.0° |
C5' | C4' | O4' | C3' | 122.4° | 119.5° |
C5' | C4' | O4' | H4' | 118.1° | 121.0° |
C5' | C4' | C3' | H4' | 118.3° | 121.0° |
C5' | C4' | O4' | C1' | 152.9° | 145.9° |
C5' | C4' | C3' | O3' | 85.4° | 119.8° |
C5' | C4' | C3' | C2' | 148.2° | 121.5° |
C5' | C4' | C3' | H3' | 28.7° | 2.9° |
H5' | C5' | C4' | O4' | 141.5° | 58.3° |
H5' | C5' | C4' | C3' | 25.7° | 59.7° |
H5' | C5' | C4' | H4' | 94.1° | 179.3° |
H5'' | C5' | C4' | O4' | 109.0° | 178.3° |
H5'' | C5' | C4' | C3' | 135.2° | 60.3° |
H5'' | C5' | C4' | H4' | 15.4° | 60.7° |
O4' | C4' | C3' | H4' | 124.3° | 119.5° |
O4' | C4' | C3' | O3' | 157.2° | 120.7° |
O4' | C4' | C3' | C2' | 30.8° | 2.0° |
O4' | C4' | C3' | H3' | 88.7° | 116.6° |
C4' | O4' | C1' | C2' | 18.0° | 40.0° |
C4' | O4' | C1' | N9 | 142.3° | 158.7° |
C4' | O4' | C1' | H1' | 99.4° | 78.4° |
C3' | C4' | O4' | C1' | 30.4° | 26.4° |
C4' | C3' | O3' | C2' | 121.1° | 114.7° |
C4' | C3' | O3' | H3' | 120.2° | 122.7° |
C4' | C3' | C2' | H3' | 120.8° | 118.6° |
C4' | C3' | O3' | HO'3 | 180.0° | 176.1° |
C4' | C3' | C2' | O2' | 107.1° | 139.2° |
C4' | C3' | C2' | C1' | 19.7° | 21.0° |
C4' | C3' | C2' | H2' | 140.2° | 97.3° |
H4' | C4' | O4' | C1' | 89.1° | 93.0° |
H4' | C4' | C3' | O3' | 32.9° | 1.1° |
H4' | C4' | C3' | C2' | 93.5° | 117.6° |
H4' | C4' | C3' | H3' | 147.0° | 123.8° |
O4' | C1' | C2' | C3' | 1.6° | 37.1° |
O4' | C1' | C2' | O2' | 124.9° | 155.3° |
O4' | C1' | C2' | N9 | 119.3° | 118.6° |
O4' | C1' | C2' | H1' | 122.7° | 118.5° |
O4' | C1' | C2' | H2' | 122.5° | 81.2° |
O4' | C1' | N9 | H1' | 122.8° | 122.9° |
O4' | C1' | N9 | C8 | 46.0° | 28.5° |
O4' | C1' | N9 | C4 | 139.0° | 151.7° |
O3' | C3' | C2' | H3' | 113.9° | 122.5° |
O3' | C3' | C2' | O2' | 18.2° | 20.3° |
O3' | C3' | C2' | C1' | 145.0° | 98.0° |
O3' | C3' | C2' | H2' | 94.6° | 143.8° |
C2' | C3' | O3' | HO'3 | 58.8° | 61.4° |
C3' | C2' | O2' | C1' | 120.7° | 112.8° |
C3' | C2' | O2' | H2' | 119.9° | 123.6° |
C3' | C2' | C1' | H2' | 120.8° | 118.3° |
C3' | C2' | O2' | HO2' | 180.0° | 67.2° |
C3' | C2' | C1' | N9 | 117.6° | 155.7° |
C3' | C2' | C1' | H1' | 124.4° | 81.4° |
H3' | C3' | O3' | HO'3 | 59.8° | 61.1° |
H3' | C3' | C2' | O2' | 132.1° | 102.2° |
H3' | C3' | C2' | C1' | 101.1° | 139.5° |
H3' | C3' | C2' | H2' | 19.3° | 21.3° |
O2' | C2' | C1' | H2' | 112.6° | 123.5° |
O2' | C2' | C1' | N9 | 115.9° | 86.1° |
O2' | C2' | C1' | H1' | 2.2° | 36.8° |
C1' | C2' | O2' | HO2' | 59.3° | 180.0° |
C2' | C1' | N9 | H1' | 117.3° | 122.9° |
C2' | C1' | N9 | C8 | 73.9° | 85.7° |
C2' | C1' | N9 | C4 | 101.1° | 94.1° |
H2' | C2' | O2' | HO2' | 60.1° | 56.4° |
H2' | C2' | C1' | N9 | 3.2° | 37.4° |
H2' | C2' | C1' | H1' | 114.8° | 160.3° |
C1' | N9 | C8 | C4 | 175.9° | 179.8° |
C1' | N9 | C8 | N7 | 176.6° | 180.0° |
C1' | N9 | C8 | H8 | 3.4° | 0.0° |
C1' | N9 | C4 | C5 | 179.9° | 179.8° |
C1' | N9 | C4 | N3 | 0.0° | 0.7° |
H1' | C1' | N9 | C8 | 168.8° | 151.4° |
H1' | C1' | N9 | C4 | 16.2° | 28.8° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 7.1° | 0.1° |
C8 | N9 | C4 | C5 | 4.3° | 0.3° |
C8 | N9 | C4 | N3 | 175.7° | 179.5° |
C4 | N9 | C8 | N7 | 7.5° | 0.2° |
C4 | N9 | C8 | H8 | 172.4° | 179.8° |
N9 | C4 | C5 | N7 | 0.2° | 0.4° |
N9 | C4 | C5 | C6 | 179.9° | 179.8° |
N9 | C4 | C5 | N3 | 179.9° | 179.3° |
N9 | C4 | N3 | C2 | 179.0° | 179.6° |
C8 | N7 | C5 | C6 | 176.4° | 180.0° |
C8 | N7 | C5 | C4 | 3.5° | 0.3° |
H8 | C8 | N7 | C5 | 172.9° | 180.0° |
N7 | C5 | C6 | C4 | 180.0° | 179.7° |
N7 | C5 | C6 | N6 | 0.1° | 0.0° |
N7 | C5 | C6 | N1 | 180.0° | 180.0° |
N7 | C5 | C4 | N3 | 179.9° | 179.7° |
C5 | C6 | N6 | N1 | 179.9° | 180.0° |
C5 | C6 | N6 | H61 | 180.0° | 180.0° |
C5 | C6 | N6 | H62 | 54.8° | 0.0° |
C5 | C6 | N1 | C2 | 1.1° | 0.0° |
C6 | C5 | C4 | N3 | 0.1° | 0.5° |
C4 | C5 | C6 | N6 | 179.9° | 179.7° |
C4 | C5 | C6 | N1 | 0.0° | 0.2° |
C5 | C4 | N3 | C2 | 1.1° | 0.6° |
C6 | N6 | H61 | H62 | 125.2° | 180.0° |
N6 | C6 | N1 | C2 | 179.0° | 180.0° |
N1 | C6 | N6 | H61 | 0.1° | 0.0° |
N1 | C6 | N6 | H62 | 125.3° | 180.0° |
C6 | N1 | C2 | N3 | 2.2° | 0.0° |
C6 | N1 | C2 | H2 | 177.8° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 2.1° | 0.3° |
H2 | C2 | N3 | C4 | 177.9° | 179.7° |