G7D
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N2 | C2 | sing | 1.37Å | 1.33Å | |
C2 | N1 | doub | 1.31Å | 1.34Å | |
C2 | N3 | sing | 1.36Å | 1.40Å | |
N1 | C8A | sing | 1.35Å | 1.34Å | |
N3 | C4 | sing | 1.35Å | 1.39Å | |
OE1 | CD | doub | 1.21Å | 1.25Å | |
C8A | N8 | doub | 1.33Å | 1.33Å | Aromatic |
C8A | C4A | sing | 1.41Å | 1.39Å | Aromatic |
C4 | C4A | sing | 1.47Å | 1.39Å | |
C4 | O4 | doub | 1.22Å | 1.23Å | |
N8 | C7 | sing | 1.32Å | 1.39Å | Aromatic |
CD | CG | sing | 1.51Å | 1.54Å | |
CD | OE2 | sing | 1.34Å | 1.25Å | |
C4A | N5 | doub | 1.33Å | 1.34Å | Aromatic |
CG | CB | sing | 1.53Å | 1.53Å | |
O | C | doub | 1.21Å | 1.25Å | |
C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
N5 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
C | OXT | sing | 1.34Å | 1.25Å | |
C | CA | sing | 1.51Å | 1.55Å | |
C6 | C9 | sing | 1.51Å | 1.40Å | |
CB | CA | sing | 1.53Å | 1.54Å | |
CA | N | sing | 1.47Å | 1.47Å | |
N | CAT | sing | 1.35Å | 1.34Å | |
CAQ | CAP | doub | 1.36Å | 1.40Å | Aromatic |
CAQ | CAR | sing | 1.40Å | 1.40Å | Aromatic |
CAP | CAM | sing | 1.39Å | 1.40Å | Aromatic |
C9 | N10 | sing | 1.46Å | 1.47Å | |
CAT | CAR | sing | 1.47Å | 1.41Å | |
CAT | OAU | doub | 1.22Å | 1.23Å | |
CAR | CAN | doub | 1.40Å | 1.39Å | Aromatic |
CAM | N10 | sing | 1.39Å | 1.34Å | |
CAM | CAO | doub | 1.39Å | 1.39Å | Aromatic |
CAN | CAO | sing | 1.38Å | 1.39Å | Aromatic |
CAN | OAS | sing | 1.36Å | 1.36Å | |
C7 | H1 | sing | 1.08Å | 1.08Å | |
C9 | H2 | sing | 1.09Å | 1.10Å | |
C9 | H3 | sing | 1.09Å | 1.10Å | |
N2 | H4 | sing | 0.97Å | 1.00Å | |
N2 | H5 | sing | 0.97Å | 1.00Å | |
N3 | H6 | sing | 0.97Å | 1.00Å | |
OE2 | H7 | sing | 0.97Å | 0.95Å | |
CG | H8 | sing | 1.09Å | 1.10Å | |
CG | H9 | sing | 1.09Å | 1.10Å | |
CB | H10 | sing | 1.09Å | 1.10Å | |
CB | H11 | sing | 1.09Å | 1.10Å | |
CA | H12 | sing | 1.09Å | 1.10Å | |
OXT | H13 | sing | 0.97Å | 0.95Å | |
N | H14 | sing | 0.97Å | 1.00Å | |
CAO | H15 | sing | 1.08Å | 1.08Å | |
OAS | H16 | sing | 0.97Å | 0.95Å | |
CAQ | H17 | sing | 1.08Å | 1.08Å | |
CAP | H18 | sing | 1.08Å | 1.08Å | |
N10 | H19 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C2 | N1 | 120.3° | 118.4° |
N2 | C2 | N3 | 119.1° | 118.4° |
C2 | N2 | H4 | 120.0° | 120.0° |
C2 | N2 | H5 | 120.0° | 120.0° |
N1 | C2 | N3 | 120.5° | 123.1° |
C2 | N1 | C8A | 120.6° | 121.7° |
C2 | N3 | C4 | 119.7° | 120.4° |
C2 | N3 | H6 | 120.1° | 119.8° |
N1 | C8A | N8 | 118.4° | 121.5° |
N1 | C8A | C4A | 121.5° | 119.1° |
N3 | C4 | C4A | 118.5° | 117.5° |
N3 | C4 | O4 | 119.4° | 121.2° |
C4 | N3 | H6 | 120.1° | 119.8° |
OE1 | CD | CG | 117.6° | 120.0° |
OE1 | CD | OE2 | 125.8° | 120.0° |
N8 | C8A | C4A | 120.2° | 119.4° |
C8A | N8 | C7 | 118.9° | 119.7° |
C8A | C4A | C4 | 119.1° | 118.1° |
C8A | C4A | N5 | 120.8° | 120.2° |
C4A | C4 | O4 | 122.1° | 121.3° |
C4 | C4A | N5 | 120.1° | 121.7° |
N8 | C7 | C6 | 120.4° | 120.7° |
N8 | C7 | H1 | 119.8° | 119.6° |
CG | CD | OE2 | 116.6° | 120.0° |
CD | CG | CB | 107.5° | 109.5° |
CD | CG | H8 | 110.0° | 109.4° |
CD | CG | H9 | 110.0° | 109.4° |
CD | OE2 | H7 | 109.5° | 117.0° |
C4A | N5 | C6 | 120.2° | 119.6° |
CG | CB | CA | 113.1° | 109.5° |
CB | CG | H8 | 110.0° | 109.5° |
CB | CG | H9 | 110.0° | 109.5° |
CG | CB | H10 | 108.6° | 109.5° |
CG | CB | H11 | 108.5° | 109.4° |
O | C | OXT | 125.0° | 120.0° |
O | C | CA | 117.2° | 120.0° |
C7 | C6 | N5 | 119.5° | 120.5° |
C7 | C6 | C9 | 118.5° | 119.7° |
C6 | C7 | H1 | 119.8° | 119.7° |
N5 | C6 | C9 | 122.0° | 119.8° |
OXT | C | CA | 117.7° | 120.0° |
C | OXT | H13 | 109.5° | 117.0° |
C | CA | CB | 113.5° | 109.4° |
C | CA | N | 108.8° | 109.5° |
C | CA | H12 | 106.5° | 109.5° |
C6 | C9 | N10 | 113.8° | 109.5° |
C6 | C9 | H2 | 108.4° | 109.4° |
C6 | C9 | H3 | 108.4° | 109.5° |
CB | CA | N | 113.6° | 109.5° |
CA | CB | H10 | 108.5° | 109.5° |
CA | CB | H11 | 108.6° | 109.5° |
CB | CA | H12 | 106.7° | 109.4° |
CA | N | CAT | 123.6° | 120.0° |
N | CA | H12 | 107.4° | 109.5° |
CA | N | H14 | 118.2° | 120.0° |
N | CAT | CAR | 116.4° | 120.0° |
N | CAT | OAU | 121.7° | 120.0° |
CAT | N | H14 | 118.2° | 120.1° |
CAP | CAQ | CAR | 122.0° | 120.1° |
CAQ | CAP | CAM | 120.2° | 120.3° |
CAP | CAQ | H17 | 119.0° | 119.9° |
CAQ | CAP | H18 | 119.9° | 119.9° |
CAQ | CAR | CAT | 121.8° | 120.1° |
CAQ | CAR | CAN | 116.8° | 119.8° |
CAR | CAQ | H17 | 119.0° | 120.0° |
CAP | CAM | N10 | 122.8° | 119.9° |
CAP | CAM | CAO | 118.1° | 120.3° |
CAM | CAP | H18 | 119.9° | 119.8° |
C9 | N10 | CAM | 125.9° | 120.0° |
N10 | C9 | H2 | 108.4° | 109.5° |
N10 | C9 | H3 | 108.4° | 109.5° |
C9 | N10 | H19 | 105.3° | 120.0° |
CAR | CAT | OAU | 121.9° | 120.0° |
CAT | CAR | CAN | 121.3° | 120.1° |
CAR | CAN | CAO | 121.9° | 119.7° |
CAR | CAN | OAS | 115.7° | 120.2° |
N10 | CAM | CAO | 119.2° | 119.9° |
CAM | N10 | H19 | 105.2° | 120.0° |
CAM | CAO | CAN | 121.0° | 119.9° |
CAM | CAO | H15 | 119.5° | 120.1° |
CAO | CAN | OAS | 122.4° | 120.2° |
CAN | CAO | H15 | 119.5° | 120.0° |
CAN | OAS | H16 | 109.5° | 114.0° |
H2 | C9 | H3 | 109.5° | 109.5° |
H4 | N2 | H5 | 120.0° | 120.0° |
H8 | CG | H9 | 109.5° | 109.5° |
H10 | CB | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C2 | N1 | N3 | 178.5° | 179.9° |
N2 | C2 | N1 | C8A | 179.0° | 179.7° |
N2 | C2 | N3 | C4 | 179.9° | 180.0° |
C2 | N2 | H4 | H5 | 180.0° | 180.0° |
N2 | C2 | N3 | H6 | 0.1° | 0.1° |
N1 | C2 | N3 | C4 | 1.6° | 0.1° |
C2 | N1 | C8A | N8 | 179.4° | 180.0° |
C2 | N1 | C8A | C4A | 0.1° | 0.6° |
N1 | C2 | N2 | H4 | 0.0° | 0.0° |
N1 | C2 | N2 | H5 | 180.0° | 180.0° |
N1 | C2 | N3 | H6 | 178.5° | 180.0° |
N3 | C2 | N1 | C8A | 0.5° | 0.2° |
C2 | N3 | C4 | H6 | 180.0° | 179.9° |
C2 | N3 | C4 | C4A | 2.2° | 0.1° |
C2 | N3 | C4 | O4 | 178.6° | 179.7° |
N3 | C2 | N2 | H4 | 178.6° | 179.9° |
N3 | C2 | N2 | H5 | 1.4° | 0.1° |
N1 | C8A | N8 | C4A | 179.6° | 179.4° |
N1 | C8A | C4A | C4 | 0.8° | 0.6° |
N1 | C8A | N8 | C7 | 179.5° | 179.9° |
N1 | C8A | C4A | N5 | 179.9° | 179.5° |
N3 | C4 | C4A | C8A | 1.9° | 0.3° |
N3 | C4 | C4A | O4 | 179.1° | 179.8° |
N3 | C4 | C4A | N5 | 179.0° | 179.8° |
OE1 | CD | CG | OE2 | 179.2° | 180.0° |
OE1 | CD | CG | CB | 138.9° | 0.0° |
OE1 | CD | OE2 | H7 | 0.0° | 0.0° |
OE1 | CD | CG | H8 | 19.3° | 120.0° |
OE1 | CD | CG | H9 | 101.4° | 120.0° |
N8 | C8A | C4A | C4 | 178.7° | 180.0° |
N8 | C8A | C4A | N5 | 0.4° | 0.0° |
C8A | N8 | C7 | C6 | 0.7° | 0.0° |
C8A | N8 | C7 | H1 | 179.3° | 178.8° |
C8A | C4A | C4 | N5 | 179.1° | 179.9° |
C8A | C4A | C4 | O4 | 179.0° | 180.0° |
C4A | C8A | N8 | C7 | 1.0° | 0.6° |
C8A | C4A | N5 | C6 | 0.5° | 1.2° |
C4 | C4A | N5 | C6 | 179.6° | 178.7° |
C4A | C4 | N3 | H6 | 177.8° | 180.0° |
O4 | C4 | C4A | N5 | 0.1° | 0.0° |
O4 | C4 | N3 | H6 | 1.4° | 0.2° |
N8 | C7 | C6 | H1 | 180.0° | 178.8° |
N8 | C7 | C6 | N5 | 0.2° | 1.2° |
N8 | C7 | C6 | C9 | 179.3° | 178.8° |
CD | CG | CB | H8 | 119.7° | 120.0° |
CD | CG | CB | H9 | 119.7° | 120.0° |
CD | CG | CB | CA | 176.6° | 180.0° |
CG | CD | OE2 | H7 | 179.1° | 180.0° |
CD | CG | H8 | H9 | 120.9° | 119.9° |
CD | CG | CB | H10 | 56.0° | 60.0° |
CD | CG | CB | H11 | 62.9° | 60.0° |
OE2 | CD | CG | CB | 40.3° | 179.9° |
OE2 | CD | CG | H8 | 160.0° | 60.0° |
OE2 | CD | CG | H9 | 79.4° | 60.0° |
C4A | N5 | C6 | C7 | 0.8° | 1.8° |
C4A | N5 | C6 | C9 | 179.9° | 178.2° |
CG | CB | CA | C | 40.9° | 175.0° |
CG | CB | CA | H10 | 120.6° | 120.0° |
CG | CB | CA | H11 | 120.5° | 119.9° |
CG | CB | CA | N | 84.0° | 65.0° |
CB | CG | H8 | H9 | 120.9° | 120.0° |
CG | CB | H10 | H11 | 118.3° | 119.9° |
CG | CB | CA | H12 | 157.9° | 55.1° |
O | C | OXT | CA | 175.6° | 180.0° |
O | C | CA | CB | 108.9° | 120.0° |
O | C | CA | N | 18.5° | 0.0° |
O | C | CA | H12 | 134.0° | 120.1° |
O | C | OXT | H13 | 0.0° | 0.0° |
C7 | C6 | N5 | C9 | 179.1° | 179.9° |
C7 | C6 | C9 | N10 | 158.2° | 95.0° |
C7 | C6 | C9 | H2 | 37.5° | 145.0° |
C7 | C6 | C9 | H3 | 81.2° | 25.1° |
N5 | C6 | C9 | N10 | 22.7° | 85.0° |
N5 | C6 | C7 | H1 | 179.9° | 180.0° |
N5 | C6 | C9 | H2 | 143.4° | 35.1° |
N5 | C6 | C9 | H3 | 97.9° | 155.0° |
OXT | C | CA | CB | 75.1° | 60.0° |
OXT | C | CA | N | 157.5° | 180.0° |
OXT | C | CA | H12 | 42.0° | 59.9° |
C | CA | CB | N | 124.9° | 120.0° |
C | CA | CB | H12 | 117.0° | 120.0° |
C | CA | N | H12 | 114.9° | 120.1° |
C | CA | N | CAT | 157.4° | 85.0° |
C | CA | CB | H10 | 161.5° | 55.0° |
C | CA | CB | H11 | 79.6° | 65.0° |
CA | C | OXT | H13 | 175.7° | 180.0° |
C | CA | N | H14 | 22.7° | 95.0° |
C6 | C9 | N10 | H2 | 120.6° | 120.0° |
C6 | C9 | N10 | H3 | 120.6° | 120.0° |
C6 | C9 | N10 | CAM | 61.2° | 180.0° |
C9 | C6 | C7 | H1 | 0.7° | 0.1° |
C6 | C9 | H2 | H3 | 118.0° | 119.9° |
C6 | C9 | N10 | H19 | 176.7° | 0.0° |
CB | CA | N | H12 | 117.7° | 119.9° |
CB | CA | N | CAT | 75.2° | 155.0° |
CA | CB | CG | H8 | 63.7° | 60.0° |
CA | CB | CG | H9 | 56.9° | 60.1° |
CA | CB | H10 | H11 | 118.4° | 120.0° |
CB | CA | N | H14 | 104.8° | 25.0° |
CA | N | CAT | H14 | 180.0° | 180.0° |
CA | N | CAT | CAR | 172.5° | 180.0° |
CA | N | CAT | OAU | 5.2° | 0.0° |
N | CA | CB | H10 | 36.6° | 175.0° |
N | CA | CB | H11 | 155.5° | 55.0° |
N | CAT | CAR | CAQ | 7.5° | 0.3° |
N | CAT | CAR | OAU | 177.6° | 180.0° |
N | CAT | CAR | CAN | 176.2° | 180.0° |
CAT | N | CA | H12 | 42.5° | 35.0° |
CAP | CAQ | CAR | H17 | 180.0° | 180.0° |
CAQ | CAP | CAM | H18 | 180.0° | 179.9° |
CAP | CAQ | CAR | CAT | 178.7° | 180.0° |
CAP | CAQ | CAR | CAN | 2.2° | 0.3° |
CAQ | CAP | CAM | N10 | 180.0° | 180.0° |
CAQ | CAP | CAM | CAO | 0.6° | 0.2° |
CAR | CAQ | CAP | CAM | 0.8° | 0.0° |
CAQ | CAR | CAT | CAN | 176.3° | 179.7° |
CAQ | CAR | CAT | OAU | 170.1° | 179.7° |
CAQ | CAR | CAN | CAO | 2.3° | 0.3° |
CAQ | CAR | CAN | OAS | 179.1° | 179.8° |
CAR | CAQ | CAP | H18 | 179.2° | 180.0° |
CAP | CAM | N10 | C9 | 1.2° | 0.0° |
CAP | CAM | N10 | CAO | 179.4° | 179.8° |
CAP | CAM | CAO | CAN | 0.5° | 0.2° |
CAP | CAM | CAO | H15 | 179.5° | 179.8° |
CAM | CAP | CAQ | H17 | 179.2° | 180.0° |
CAP | CAM | N10 | H19 | 123.4° | 180.0° |
C9 | N10 | CAM | H19 | 122.2° | 180.0° |
C9 | N10 | CAM | CAO | 178.2° | 179.7° |
N10 | C9 | H2 | H3 | 118.0° | 120.0° |
CAT | CAR | CAN | CAO | 178.8° | 180.0° |
CAT | CAR | CAN | OAS | 2.6° | 0.1° |
CAR | CAT | N | H14 | 7.6° | 0.0° |
CAT | CAR | CAQ | H17 | 1.3° | 0.1° |
OAU | CAT | CAR | CAN | 6.2° | 0.0° |
OAU | CAT | N | H14 | 174.8° | 180.0° |
CAR | CAN | CAO | CAM | 1.0° | 0.0° |
CAR | CAN | CAO | OAS | 178.5° | 179.9° |
CAR | CAN | CAO | H15 | 179.0° | 180.0° |
CAR | CAN | OAS | H16 | 5.1° | 90.1° |
CAN | CAR | CAQ | H17 | 177.8° | 179.7° |
N10 | CAM | CAO | CAN | 179.9° | 180.0° |
CAM | N10 | C9 | H2 | 59.5° | 60.0° |
CAM | N10 | C9 | H3 | 178.2° | 60.0° |
N10 | CAM | CAO | H15 | 0.1° | 0.0° |
N10 | CAM | CAP | H18 | 0.0° | 0.0° |
CAM | CAO | CAN | H15 | 180.0° | 180.0° |
CAM | CAO | CAN | OAS | 179.5° | 180.0° |
CAO | CAM | CAP | H18 | 179.4° | 179.7° |
CAO | CAM | N10 | H19 | 56.0° | 0.3° |
CAO | CAN | OAS | H16 | 176.3° | 90.0° |
OAS | CAN | CAO | H15 | 0.5° | 0.0° |
H2 | C9 | N10 | H19 | 62.7° | 120.0° |
H3 | C9 | N10 | H19 | 56.0° | 120.0° |
H8 | CG | CB | H10 | 175.7° | 180.0° |
H8 | CG | CB | H11 | 56.8° | 60.0° |
H9 | CG | CB | H10 | 63.6° | 60.0° |
H9 | CG | CB | H11 | 177.5° | 180.0° |
H10 | CB | CA | H12 | 81.5° | 65.0° |
H11 | CB | CA | H12 | 37.4° | 175.0° |
H12 | CA | N | H14 | 137.5° | 144.9° |
H17 | CAQ | CAP | H18 | 0.8° | 0.1° |