G0F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CG | SD | sing | 1.81Å | 1.85Å | |
CG | CB | sing | 1.53Å | 1.52Å | |
SD | CE | sing | 1.81Å | 1.79Å | |
CA | CB | sing | 1.53Å | 1.51Å | |
CA | N | sing | 1.47Å | 1.47Å | |
N | C4A | sing | 1.47Å | 1.48Å | |
C4A | C4 | sing | 1.51Å | 1.40Å | |
OP1 | P | doub | 1.48Å | 1.51Å | |
O3 | C3 | sing | 1.36Å | 1.35Å | |
C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
C5A | C5 | sing | 1.51Å | 1.54Å | |
C5A | OP4 | sing | 1.43Å | 1.40Å | |
C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
P | OP3 | sing | 1.61Å | 1.47Å | |
P | OP4 | sing | 1.61Å | 1.63Å | |
P | OP2 | sing | 1.61Å | 1.46Å | |
C2 | C2A | sing | 1.51Å | 1.51Å | |
C2 | N1 | doub | 1.32Å | 1.38Å | Aromatic |
C6 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
C6 | H1 | sing | 1.08Å | 1.08Å | |
OP2 | H2 | sing | 0.97Å | 0.95Å | |
OP3 | H3 | sing | 0.97Å | 0.95Å | |
C5A | H4 | sing | 1.09Å | 1.10Å | |
C5A | H5 | sing | 1.09Å | 1.10Å | |
C2A | H6 | sing | 1.09Å | 1.10Å | |
C2A | H7 | sing | 1.09Å | 1.10Å | |
C2A | H8 | sing | 1.09Å | 1.10Å | |
O3 | H9 | sing | 0.97Å | 0.95Å | |
C4A | H10 | sing | 1.09Å | 1.10Å | |
CA | H11 | sing | 1.09Å | 1.10Å | |
CA | H12 | sing | 1.09Å | 1.10Å | |
CB | H13 | sing | 1.09Å | 1.10Å | |
CB | H14 | sing | 1.09Å | 1.10Å | |
CG | H15 | sing | 1.09Å | 1.10Å | |
CG | H16 | sing | 1.09Å | 1.10Å | |
CE | H17 | sing | 1.09Å | 1.10Å | |
CE | H18 | sing | 1.09Å | 1.10Å | |
CE | H19 | sing | 1.09Å | 1.10Å | |
C4A | H20 | sing | 1.09Å | 1.10Å | |
N | H21 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
SD | CG | CB | 117.6° | 109.5° |
CG | SD | CE | 102.5° | 103.0° |
SD | CG | H15 | 107.4° | 109.4° |
SD | CG | H16 | 107.4° | 109.5° |
CG | CB | CA | 111.1° | 109.5° |
CG | CB | H13 | 109.0° | 109.5° |
CG | CB | H14 | 109.1° | 109.4° |
CB | CG | H15 | 107.4° | 109.5° |
CB | CG | H16 | 107.4° | 109.5° |
SD | CE | H17 | 109.5° | 109.4° |
SD | CE | H18 | 109.5° | 109.5° |
SD | CE | H19 | 109.4° | 109.5° |
CB | CA | N | 108.3° | 109.5° |
CB | CA | H11 | 109.8° | 109.5° |
CB | CA | H12 | 109.7° | 109.4° |
CA | CB | H13 | 109.1° | 109.5° |
CA | CB | H14 | 109.1° | 109.5° |
CA | N | C4A | 125.6° | 111.0° |
N | CA | H11 | 109.7° | 109.5° |
N | CA | H12 | 109.8° | 109.4° |
CA | N | H21 | 105.3° | 110.9° |
N | C4A | C4 | 119.9° | 109.4° |
N | C4A | H10 | 106.8° | 109.5° |
N | C4A | H20 | 106.8° | 109.5° |
C4A | N | H21 | 105.3° | 111.0° |
C4A | C4 | C3 | 117.5° | 120.8° |
C4A | C4 | C5 | 124.6° | 120.8° |
C4 | C4A | H10 | 106.8° | 109.5° |
C4 | C4A | H20 | 106.8° | 109.5° |
OP1 | P | OP3 | 114.0° | 109.5° |
OP1 | P | OP4 | 97.8° | 109.5° |
OP1 | P | OP2 | 121.9° | 109.4° |
O3 | C3 | C4 | 118.0° | 120.5° |
O3 | C3 | C2 | 119.1° | 120.5° |
C3 | O3 | H9 | 109.5° | 113.9° |
C3 | C4 | C5 | 117.9° | 118.4° |
C4 | C3 | C2 | 122.9° | 119.0° |
C4 | C5 | C5A | 123.7° | 120.4° |
C4 | C5 | C6 | 118.3° | 119.2° |
C3 | C2 | C2A | 123.0° | 119.6° |
C3 | C2 | N1 | 116.9° | 120.7° |
C5 | C5A | OP4 | 106.4° | 109.4° |
C5A | C5 | C6 | 118.0° | 120.4° |
C5 | C5A | H4 | 110.2° | 109.5° |
C5 | C5A | H5 | 110.2° | 109.5° |
C5A | OP4 | P | 122.4° | 123.0° |
OP4 | C5A | H4 | 110.2° | 109.5° |
OP4 | C5A | H5 | 110.2° | 109.5° |
C5 | C6 | N1 | 121.8° | 120.8° |
C5 | C6 | H1 | 119.1° | 119.6° |
OP3 | P | OP4 | 101.4° | 109.5° |
OP3 | P | OP2 | 119.5° | 109.5° |
P | OP3 | H3 | 109.5° | 114.0° |
OP4 | P | OP2 | 92.7° | 109.5° |
P | OP2 | H2 | 109.5° | 114.1° |
C2A | C2 | N1 | 120.1° | 119.7° |
C2 | C2A | H6 | 109.5° | 109.4° |
C2 | C2A | H7 | 109.4° | 109.5° |
C2 | C2A | H8 | 109.4° | 109.5° |
C2 | N1 | C6 | 122.2° | 121.8° |
N1 | C6 | H1 | 119.1° | 119.6° |
H4 | C5A | H5 | 109.5° | 109.5° |
H6 | C2A | H7 | 109.5° | 109.4° |
H6 | C2A | H8 | 109.5° | 109.5° |
H7 | C2A | H8 | 109.5° | 109.5° |
H10 | C4A | H20 | 109.5° | 109.5° |
H11 | CA | H12 | 109.5° | 109.4° |
H13 | CB | H14 | 109.5° | 109.5° |
H15 | CG | H16 | 109.5° | 109.4° |
H17 | CE | H18 | 109.5° | 109.5° |
H17 | CE | H19 | 109.4° | 109.5° |
H18 | CE | H19 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
SD | CG | CB | H15 | 121.2° | 120.0° |
SD | CG | CB | H16 | 121.2° | 120.0° |
SD | CG | CB | CA | 57.4° | 180.0° |
SD | CG | CB | H13 | 177.6° | 60.0° |
SD | CG | CB | H14 | 62.9° | 60.0° |
SD | CG | H15 | H16 | 116.3° | 119.9° |
CG | SD | CE | H17 | 180.0° | 60.0° |
CG | SD | CE | H18 | 60.0° | 59.9° |
CG | SD | CE | H19 | 60.0° | 180.0° |
CB | CG | SD | CE | 75.9° | 180.0° |
CG | CB | CA | H13 | 120.2° | 120.0° |
CG | CB | CA | H14 | 120.3° | 119.9° |
CG | CB | CA | N | 171.2° | 180.0° |
CG | CB | CA | H11 | 51.4° | 59.9° |
CG | CB | CA | H12 | 68.9° | 60.0° |
CG | CB | H13 | H14 | 119.2° | 119.9° |
CB | CG | H15 | H16 | 116.3° | 120.0° |
CE | SD | CG | H15 | 162.9° | 60.0° |
CE | SD | CG | H16 | 45.2° | 59.9° |
SD | CE | H17 | H18 | 120.0° | 120.0° |
SD | CE | H17 | H19 | 120.0° | 120.0° |
SD | CE | H18 | H19 | 120.0° | 120.0° |
CB | CA | N | H11 | 119.8° | 120.1° |
CB | CA | N | H12 | 119.8° | 120.0° |
CB | CA | N | C4A | 46.8° | 180.0° |
CB | CA | H11 | H12 | 120.5° | 120.0° |
CA | CB | H13 | H14 | 119.3° | 120.0° |
CA | CB | CG | H15 | 63.8° | 60.0° |
CA | CB | CG | H16 | 178.5° | 60.0° |
CB | CA | N | H21 | 169.0° | 56.1° |
CA | N | C4A | H21 | 122.1° | 123.9° |
CA | N | C4A | C4 | 176.7° | 180.0° |
CA | N | C4A | H10 | 61.8° | 60.0° |
N | CA | H11 | H12 | 120.5° | 120.0° |
N | CA | CB | H13 | 68.5° | 60.0° |
N | CA | CB | H14 | 51.0° | 60.1° |
CA | N | C4A | H20 | 55.3° | 60.0° |
N | C4A | C4 | H10 | 121.5° | 120.0° |
N | C4A | C4 | H20 | 121.4° | 120.0° |
N | C4A | C4 | C3 | 62.9° | 90.0° |
N | C4A | C4 | C5 | 119.5° | 89.7° |
N | C4A | H10 | H20 | 115.3° | 120.0° |
C4A | N | CA | H11 | 73.0° | 59.9° |
C4A | N | CA | H12 | 166.6° | 60.0° |
C4A | C4 | C3 | O3 | 1.9° | 0.2° |
C4A | C4 | C3 | C5 | 177.8° | 179.7° |
C4A | C4 | C3 | C2 | 178.0° | 179.8° |
C4A | C4 | C5 | C5A | 3.5° | 0.3° |
C4A | C4 | C5 | C6 | 177.9° | 179.7° |
C4 | C4A | H10 | H20 | 115.3° | 120.0° |
C4 | C4A | N | H21 | 54.6° | 56.1° |
OP1 | P | OP4 | C5A | 49.3° | 55.0° |
OP1 | P | OP3 | OP4 | 104.0° | 120.0° |
OP1 | P | OP3 | OP2 | 156.3° | 120.0° |
OP1 | P | OP4 | OP2 | 122.7° | 120.0° |
OP1 | P | OP2 | H2 | 0.0° | 60.0° |
OP1 | P | OP3 | H3 | 0.0° | 179.9° |
O3 | C3 | C4 | C2 | 179.9° | 179.9° |
O3 | C3 | C4 | C5 | 179.7° | 179.9° |
O3 | C3 | C2 | C2A | 1.2° | 0.0° |
O3 | C3 | C2 | N1 | 178.9° | 179.9° |
C3 | C4 | C5 | C5A | 178.8° | 180.0° |
C3 | C4 | C5 | C6 | 0.2° | 0.0° |
C4 | C3 | C2 | C2A | 178.7° | 179.9° |
C4 | C3 | C2 | N1 | 0.9° | 0.0° |
C4 | C3 | O3 | H9 | 180.0° | 90.1° |
C3 | C4 | C4A | H10 | 175.7° | 150.0° |
C3 | C4 | C4A | H20 | 58.6° | 30.0° |
C5 | C4 | C3 | C2 | 0.2° | 0.0° |
C4 | C5 | C5A | C6 | 178.6° | 180.0° |
C4 | C5 | C5A | OP4 | 70.9° | 180.0° |
C4 | C5 | C6 | N1 | 1.1° | 0.0° |
C4 | C5 | C6 | H1 | 178.9° | 180.0° |
C4 | C5 | C5A | H4 | 169.6° | 60.0° |
C4 | C5 | C5A | H5 | 48.6° | 60.1° |
C5 | C4 | C4A | H10 | 2.0° | 30.3° |
C5 | C4 | C4A | H20 | 119.1° | 150.3° |
C3 | C2 | C2A | N1 | 177.7° | 179.9° |
C3 | C2 | N1 | C6 | 1.8° | 0.1° |
C3 | C2 | C2A | H6 | 177.7° | 90.0° |
C3 | C2 | C2A | H7 | 57.7° | 150.0° |
C3 | C2 | C2A | H8 | 62.3° | 29.9° |
C2 | C3 | O3 | H9 | 0.1° | 90.0° |
C5 | C5A | OP4 | H4 | 119.5° | 120.0° |
C5 | C5A | OP4 | H5 | 119.5° | 120.0° |
C5 | C5A | OP4 | P | 153.9° | 180.0° |
C5A | C5 | C6 | N1 | 179.7° | 180.0° |
C5A | C5 | C6 | H1 | 0.2° | 0.0° |
C5 | C5A | H4 | H5 | 121.4° | 120.0° |
OP4 | C5A | C5 | C6 | 110.5° | 0.0° |
C5A | OP4 | P | OP3 | 67.2° | 65.0° |
C5A | OP4 | P | OP2 | 172.0° | 175.0° |
OP4 | C5A | H4 | H5 | 121.4° | 120.0° |
C5 | C6 | N1 | C2 | 1.9° | 0.0° |
C5 | C6 | N1 | H1 | 180.0° | 180.0° |
C6 | C5 | C5A | H4 | 9.0° | 120.0° |
C6 | C5 | C5A | H5 | 130.0° | 120.0° |
OP3 | P | OP4 | OP2 | 120.8° | 120.0° |
OP3 | P | OP2 | H2 | 154.3° | 60.0° |
OP4 | P | OP2 | H2 | 100.9° | 180.0° |
OP4 | P | OP3 | H3 | 104.0° | 60.0° |
P | OP4 | C5A | H4 | 86.6° | 60.0° |
P | OP4 | C5A | H5 | 34.4° | 60.0° |
OP2 | P | OP3 | H3 | 156.3° | 60.0° |
C2A | C2 | N1 | C6 | 179.7° | 180.0° |
C2 | C2A | H6 | H7 | 120.0° | 119.9° |
C2 | C2A | H6 | H8 | 120.0° | 120.0° |
C2 | C2A | H7 | H8 | 120.0° | 120.1° |
C2 | N1 | C6 | H1 | 178.0° | 180.0° |
N1 | C2 | C2A | H6 | 0.0° | 90.1° |
N1 | C2 | C2A | H7 | 120.0° | 29.9° |
N1 | C2 | C2A | H8 | 120.0° | 150.0° |
H6 | C2A | H7 | H8 | 120.0° | 120.0° |
H10 | C4A | N | H21 | 176.1° | 63.9° |
H11 | CA | CB | H13 | 171.7° | 180.0° |
H11 | CA | CB | H14 | 68.8° | 60.0° |
H11 | CA | N | H21 | 49.2° | 64.0° |
H12 | CA | CB | H13 | 51.3° | 60.0° |
H12 | CA | CB | H14 | 170.8° | 180.0° |
H12 | CA | N | H21 | 71.2° | 176.0° |
H13 | CB | CG | H15 | 56.4° | 180.0° |
H13 | CB | CG | H16 | 61.2° | 60.1° |
H14 | CB | CG | H15 | 175.9° | 60.0° |
H14 | CB | CG | H16 | 58.3° | 180.0° |
H17 | CE | H18 | H19 | 120.0° | 120.1° |
H20 | C4A | N | H21 | 66.9° | 176.1° |