22G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.37Å | Aromatic |
| CAI | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| OH | CZ | sing | 1.36Å | 1.34Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| CAH | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAO | sing | 1.51Å | 1.47Å | |
| CE1 | CZ | doub | 1.39Å | 1.36Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.41Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.41Å | Aromatic |
| CA | CAO | sing | 1.53Å | 1.48Å | |
| CA | CAN | sing | 1.53Å | 1.55Å | |
| CD1 | CG | doub | 1.38Å | 1.35Å | Aromatic |
| CE2 | CD2 | doub | 1.38Å | 1.40Å | Aromatic |
| O | C | doub | 1.21Å | 1.18Å | |
| NAA | CAN | sing | 1.47Å | 1.50Å | |
| NAA | C2 | sing | 1.47Å | 1.44Å | |
| CG | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.49Å | |
| C | C2 | sing | 1.51Å | 1.52Å | |
| C2 | CB | sing | 1.53Å | 1.57Å | |
| CD1 | H1 | sing | 1.08Å | 1.08Å | |
| CE1 | H25 | sing | 1.08Å | 1.08Å | |
| OH | H3 | sing | 0.97Å | 0.95Å | |
| CE2 | H4 | sing | 1.08Å | 1.08Å | |
| CD2 | H5 | sing | 1.08Å | 1.08Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.08Å | |
| NAA | H10 | sing | 1.01Å | 1.00Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CAO | H18 | sing | 1.09Å | 1.10Å | |
| CAO | H19 | sing | 1.09Å | 1.10Å | |
| CAH | H20 | sing | 1.08Å | 1.08Å | |
| CAF | H21 | sing | 1.08Å | 1.08Å | |
| CAE | H22 | sing | 1.08Å | 1.08Å | |
| CAG | H23 | sing | 1.08Å | 1.08Å | |
| CAI | H24 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAE | CAF | 118.1° | 120.0° |
| CAE | CAG | CAI | 118.0° | 120.0° |
| CAG | CAE | H22 | 120.9° | 120.0° |
| CAE | CAG | H23 | 121.0° | 120.0° |
| CAE | CAF | CAH | 123.0° | 120.0° |
| CAE | CAF | H21 | 118.5° | 120.0° |
| CAF | CAE | H22 | 121.0° | 120.0° |
| CAG | CAI | CAS | 123.3° | 120.0° |
| CAI | CAG | H23 | 121.0° | 120.0° |
| CAG | CAI | H24 | 118.4° | 119.9° |
| CAF | CAH | CAS | 119.6° | 120.0° |
| CAF | CAH | H20 | 120.2° | 120.0° |
| CAH | CAF | H21 | 118.5° | 120.1° |
| CAI | CAS | CAH | 117.5° | 120.0° |
| CAI | CAS | CAO | 122.2° | 120.0° |
| CAS | CAI | H24 | 118.3° | 120.0° |
| OH | CZ | CE1 | 121.6° | 120.1° |
| OH | CZ | CE2 | 118.2° | 120.0° |
| CZ | OH | H3 | 109.5° | 114.0° |
| N | CA | CAO | 109.7° | 109.5° |
| N | CA | CAN | 110.7° | 109.5° |
| N | CA | HA | 109.3° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CAH | CAS | CAO | 119.8° | 120.0° |
| CAS | CAH | H20 | 120.2° | 120.0° |
| CAS | CAO | CA | 119.2° | 109.5° |
| CAS | CAO | H18 | 107.0° | 109.4° |
| CAS | CAO | H19 | 107.0° | 109.5° |
| CZ | CE1 | CD1 | 118.3° | 119.9° |
| CE1 | CZ | CE2 | 120.0° | 119.9° |
| CZ | CE1 | H25 | 120.9° | 120.0° |
| CE1 | CD1 | CG | 122.2° | 120.0° |
| CE1 | CD1 | H1 | 118.9° | 120.0° |
| CD1 | CE1 | H25 | 120.8° | 120.0° |
| CZ | CE2 | CD2 | 120.3° | 119.9° |
| CZ | CE2 | H4 | 119.8° | 120.1° |
| CAO | CA | CAN | 109.3° | 109.5° |
| CAO | CA | HA | 109.3° | 109.4° |
| CA | CAO | H18 | 107.0° | 109.5° |
| CA | CAO | H19 | 107.0° | 109.5° |
| CA | CAN | NAA | 114.6° | 109.5° |
| CA | CAN | H12 | 108.2° | 109.5° |
| CA | CAN | H13 | 108.2° | 109.5° |
| CAN | CA | HA | 108.4° | 109.5° |
| CD1 | CG | CD2 | 120.4° | 120.1° |
| CD1 | CG | CB | 122.1° | 119.9° |
| CG | CD1 | H1 | 118.9° | 120.0° |
| CE2 | CD2 | CG | 118.5° | 120.1° |
| CD2 | CE2 | H4 | 119.9° | 120.0° |
| CE2 | CD2 | H5 | 120.7° | 120.0° |
| O | C | C2 | 124.3° | 120.0° |
| O | C | OXT | 117.9° | 120.0° |
| CAN | NAA | C2 | 113.5° | 111.0° |
| CAN | NAA | H10 | 108.5° | 111.0° |
| NAA | CAN | H12 | 108.2° | 109.4° |
| NAA | CAN | H13 | 108.1° | 109.5° |
| NAA | C2 | C | 108.8° | 109.4° |
| NAA | C2 | CB | 109.8° | 109.5° |
| NAA | C2 | H8 | 109.8° | 109.5° |
| C2 | NAA | H10 | 108.5° | 111.0° |
| CD2 | CG | CB | 117.3° | 120.0° |
| CG | CD2 | H5 | 120.7° | 120.0° |
| CG | CB | C2 | 111.7° | 109.5° |
| CG | CB | H6 | 108.9° | 109.5° |
| CG | CB | H7 | 108.9° | 109.5° |
| C | C2 | CB | 111.7° | 109.5° |
| C | C2 | H8 | 108.6° | 109.5° |
| C2 | C | OXT | 117.9° | 120.0° |
| C2 | CB | H6 | 108.9° | 109.5° |
| C2 | CB | H7 | 108.9° | 109.5° |
| CB | C2 | H8 | 108.1° | 109.5° |
| H6 | CB | H7 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| H12 | CAN | H13 | 109.5° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| H18 | CAO | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAE | CAF | H22 | 180.0° | 179.7° |
| CAE | CAG | CAI | H23 | 180.0° | 179.7° |
| CAG | CAE | CAF | CAH | 3.4° | 0.0° |
| CAE | CAG | CAI | CAS | 5.0° | 0.6° |
| CAG | CAE | CAF | H21 | 176.6° | 180.0° |
| CAE | CAG | CAI | H24 | 175.0° | 180.0° |
| CAF | CAE | CAG | CAI | 3.3° | 0.3° |
| CAE | CAF | CAH | H21 | 180.0° | 179.9° |
| CAE | CAF | CAH | CAS | 4.7° | 0.0° |
| CAE | CAF | CAH | H20 | 175.3° | 180.0° |
| CAF | CAE | CAG | H23 | 176.7° | 180.0° |
| CAG | CAI | CAS | H24 | 180.0° | 179.4° |
| CAG | CAI | CAS | CAH | 6.2° | 0.6° |
| CAG | CAI | CAS | CAO | 177.6° | 179.7° |
| CAI | CAG | CAE | H22 | 176.7° | 180.0° |
| CAF | CAH | CAS | CAI | 5.8° | 0.3° |
| CAF | CAH | CAS | H20 | 180.0° | 180.0° |
| CAF | CAH | CAS | CAO | 177.5° | 179.9° |
| CAH | CAF | CAE | H22 | 176.6° | 179.8° |
| CAI | CAS | CAH | CAO | 171.6° | 179.8° |
| CAI | CAS | CAO | CA | 41.8° | 90.3° |
| CAI | CAS | CAO | H18 | 79.6° | 149.7° |
| CAI | CAS | CAO | H19 | 163.2° | 29.7° |
| CAI | CAS | CAH | H20 | 174.1° | 179.7° |
| CAS | CAI | CAG | H23 | 175.0° | 179.7° |
| OH | CZ | CE1 | CE2 | 176.2° | 180.0° |
| OH | CZ | CE1 | CD1 | 177.0° | 180.0° |
| OH | CZ | CE2 | CD2 | 179.8° | 180.0° |
| OH | CZ | CE1 | H25 | 2.9° | 0.0° |
| OH | CZ | CE2 | H4 | 0.2° | 0.1° |
| N | CA | CAO | CAS | 57.7° | 65.0° |
| N | CA | CAO | CAN | 121.6° | 120.0° |
| N | CA | CAO | HA | 119.9° | 120.0° |
| N | CA | CAN | HA | 119.9° | 120.1° |
| N | CA | CAN | NAA | 55.9° | 55.0° |
| N | CA | CAN | H12 | 176.7° | 65.0° |
| N | CA | CAN | H13 | 64.8° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CAO | H18 | 179.1° | 55.0° |
| N | CA | CAO | H19 | 63.7° | 175.0° |
| CAH | CAS | CAO | CA | 147.0° | 90.0° |
| CAH | CAS | CAO | H18 | 91.6° | 30.0° |
| CAH | CAS | CAO | H19 | 25.6° | 150.0° |
| CAS | CAH | CAF | H21 | 175.3° | 180.0° |
| CAH | CAS | CAI | H24 | 173.8° | 180.0° |
| CAS | CAO | CA | H18 | 121.4° | 120.0° |
| CAS | CAO | CA | H19 | 121.4° | 120.0° |
| CAS | CAO | CA | CAN | 179.3° | 175.0° |
| CAS | CAO | CA | HA | 62.2° | 55.0° |
| CAS | CAO | H18 | H19 | 115.6° | 120.0° |
| CAO | CAS | CAH | H20 | 2.5° | 0.0° |
| CAO | CAS | CAI | H24 | 2.4° | 0.2° |
| CZ | CE1 | CD1 | H25 | 180.0° | 180.0° |
| CZ | CE1 | CD1 | CG | 0.2° | 0.0° |
| CE1 | CZ | CE2 | CD2 | 3.5° | 0.0° |
| CZ | CE1 | CD1 | H1 | 179.8° | 179.7° |
| CE1 | CZ | OH | H3 | 180.0° | 90.0° |
| CE1 | CZ | CE2 | H4 | 176.5° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.8° | 0.0° |
| CE1 | CD1 | CG | H1 | 180.0° | 179.7° |
| CE1 | CD1 | CG | CD2 | 1.4° | 0.0° |
| CE1 | CD1 | CG | CB | 175.9° | 179.7° |
| CZ | CE2 | CD2 | H4 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | CG | 5.0° | 0.0° |
| CE2 | CZ | CE1 | H25 | 179.1° | 180.0° |
| CE2 | CZ | OH | H3 | 3.7° | 90.0° |
| CZ | CE2 | CD2 | H5 | 175.0° | 180.0° |
| CAO | CA | CAN | HA | 119.1° | 119.9° |
| CAO | CA | CAN | NAA | 176.9° | 175.0° |
| CAO | CA | CAN | H12 | 62.4° | 55.0° |
| CAO | CA | CAN | H13 | 56.2° | 64.9° |
| CAO | CA | N | H | 180.0° | 176.0° |
| CAO | CA | N | H2 | 60.0° | 60.0° |
| CA | CAO | H18 | H19 | 115.6° | 120.0° |
| CA | CAN | NAA | H12 | 120.7° | 120.0° |
| CA | CAN | NAA | H13 | 120.8° | 120.1° |
| CA | CAN | NAA | C2 | 129.5° | 180.0° |
| CA | CAN | NAA | H10 | 109.8° | 56.0° |
| CA | CAN | H12 | H13 | 117.7° | 120.0° |
| CAN | CA | N | H | 59.3° | 64.0° |
| CAN | CA | N | H2 | 60.7° | 60.0° |
| CAN | CA | CAO | H18 | 59.4° | 65.0° |
| CAN | CA | CAO | H19 | 57.9° | 55.0° |
| CD1 | CG | CD2 | CE2 | 4.0° | 0.0° |
| CD1 | CG | CD2 | CB | 174.7° | 179.7° |
| CD1 | CG | CB | C2 | 72.8° | 90.0° |
| CG | CD1 | CE1 | H25 | 179.8° | 180.0° |
| CD1 | CG | CD2 | H5 | 176.0° | 180.0° |
| CD1 | CG | CB | H6 | 47.6° | 150.0° |
| CD1 | CG | CB | H7 | 166.9° | 30.0° |
| CE2 | CD2 | CG | H5 | 180.0° | 180.0° |
| CE2 | CD2 | CG | CB | 178.7° | 179.7° |
| O | C | C2 | NAA | 15.1° | 0.1° |
| O | C | C2 | OXT | 180.0° | 179.9° |
| O | C | C2 | CB | 106.4° | 120.0° |
| O | C | C2 | H8 | 134.5° | 119.9° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CAN | NAA | C2 | H10 | 120.6° | 124.0° |
| CAN | NAA | C2 | C | 84.5° | 85.0° |
| CAN | NAA | C2 | CB | 153.0° | 155.0° |
| CAN | NAA | C2 | H8 | 34.3° | 35.0° |
| NAA | CAN | H12 | H13 | 117.6° | 120.0° |
| NAA | CAN | CA | HA | 64.0° | 65.1° |
| NAA | C2 | CB | CG | 69.8° | 65.0° |
| NAA | C2 | C | CB | 121.4° | 120.0° |
| NAA | C2 | C | H8 | 119.5° | 120.0° |
| NAA | C2 | CB | H8 | 119.7° | 120.0° |
| NAA | C2 | CB | H6 | 50.6° | 175.0° |
| NAA | C2 | CB | H7 | 169.9° | 55.0° |
| NAA | C2 | C | OXT | 164.9° | 180.0° |
| C2 | NAA | CAN | H12 | 8.8° | 60.0° |
| C2 | NAA | CAN | H13 | 109.7° | 60.0° |
| CD2 | CG | CB | C2 | 101.9° | 90.2° |
| CD2 | CG | CD1 | H1 | 178.6° | 179.7° |
| CG | CD2 | CE2 | H4 | 175.0° | 180.0° |
| CD2 | CG | CB | H6 | 137.8° | 29.8° |
| CD2 | CG | CB | H7 | 18.4° | 149.7° |
| CG | CB | C2 | C | 51.0° | 175.0° |
| CG | CB | C2 | H6 | 120.3° | 120.0° |
| CG | CB | C2 | H7 | 120.3° | 120.0° |
| CB | CG | CD1 | H1 | 4.1° | 0.0° |
| CB | CG | CD2 | H5 | 1.3° | 0.3° |
| CG | CB | H6 | H7 | 118.9° | 120.0° |
| CG | CB | C2 | H8 | 170.5° | 55.0° |
| C | C2 | CB | H8 | 119.5° | 120.1° |
| C | C2 | CB | H6 | 171.4° | 55.0° |
| C | C2 | CB | H7 | 69.3° | 65.0° |
| C | C2 | NAA | H10 | 154.9° | 151.0° |
| C2 | C | OXT | HXT | 180.0° | 180.0° |
| C2 | CB | H6 | H7 | 119.0° | 120.0° |
| CB | C2 | C | OXT | 73.7° | 60.1° |
| CB | C2 | NAA | H10 | 32.4° | 31.0° |
| H1 | CD1 | CE1 | H25 | 0.1° | 0.3° |
| H4 | CE2 | CD2 | H5 | 5.0° | 0.0° |
| H6 | CB | C2 | H8 | 69.2° | 65.1° |
| H7 | CB | C2 | H8 | 50.2° | 175.0° |
| H8 | C2 | C | OXT | 45.5° | 60.0° |
| H8 | C2 | NAA | H10 | 86.3° | 89.0° |
| H10 | NAA | CAN | H12 | 129.4° | 64.0° |
| H10 | NAA | CAN | H13 | 10.9° | 176.0° |
| H12 | CAN | CA | HA | 56.8° | 175.0° |
| H13 | CAN | CA | HA | 175.3° | 55.0° |
| HA | CA | N | H | 60.1° | 56.1° |
| HA | CA | N | H2 | 179.9° | 179.9° |
| HA | CA | CAO | H18 | 59.2° | 175.0° |
| HA | CA | CAO | H19 | 176.4° | 65.0° |
| H20 | CAH | CAF | H21 | 4.7° | 0.1° |
| H21 | CAF | CAE | H22 | 3.4° | 0.3° |
| H22 | CAE | CAG | H23 | 3.3° | 0.2° |
| H23 | CAG | CAI | H24 | 5.0° | 0.3° |
