2W2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NH1 | CZ | doub | 1.30Å | 1.29Å | |
| NH2 | CZ | sing | 1.37Å | 1.31Å | |
| CZ | NE | sing | 1.37Å | 1.45Å | |
| NE | CD | sing | 1.46Å | 1.45Å | |
| CD | CG | sing | 1.53Å | 1.49Å | |
| CG | CB | sing | 1.53Å | 1.50Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| N | CAU | sing | 1.47Å | 1.47Å | |
| CAU | CAS | sing | 1.51Å | 1.49Å | |
| CAU | CAM | sing | 1.53Å | 1.52Å | |
| OAE | CAS | doub | 1.21Å | 1.27Å | |
| CAS | OAH | sing | 1.34Å | 1.26Å | |
| CAM | CAK | sing | 1.53Å | 1.50Å | |
| OAC | CAQ | doub | 1.21Å | 1.26Å | |
| CAK | CAQ | sing | 1.51Å | 1.50Å | |
| CAQ | OAF | sing | 1.34Å | 1.26Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAU | H6 | sing | 1.09Å | 1.10Å | |
| OAF | H7 | sing | 0.97Å | 0.95Å | |
| OAH | H8 | sing | 0.97Å | 0.95Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| CG | H14 | sing | 1.09Å | 1.10Å | |
| CG | H15 | sing | 1.09Å | 1.10Å | |
| CD | H16 | sing | 1.09Å | 1.10Å | |
| CD | H17 | sing | 1.09Å | 1.10Å | |
| NE | H18 | sing | 0.97Å | 1.00Å | |
| NH2 | H19 | sing | 0.97Å | 1.00Å | |
| NH2 | H20 | sing | 0.97Å | 1.00Å | |
| NH1 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NH1 | CZ | NH2 | 119.5° | 120.0° |
| NH1 | CZ | NE | 122.5° | 120.0° |
| CZ | NH1 | H21 | 112.0° | 120.1° |
| NH2 | CZ | NE | 118.0° | 120.0° |
| CZ | NH2 | H19 | 120.0° | 120.0° |
| CZ | NH2 | H20 | 120.0° | 120.0° |
| CZ | NE | CD | 122.6° | 120.0° |
| CZ | NE | H18 | 118.7° | 120.0° |
| NE | CD | CG | 112.2° | 109.5° |
| NE | CD | H16 | 108.8° | 109.5° |
| NE | CD | H17 | 108.8° | 109.5° |
| CD | NE | H18 | 118.7° | 120.0° |
| CD | CG | CB | 119.7° | 109.5° |
| CD | CG | H14 | 106.9° | 109.5° |
| CD | CG | H15 | 106.8° | 109.5° |
| CG | CD | H16 | 108.8° | 109.5° |
| CG | CD | H17 | 108.8° | 109.5° |
| CG | CB | CA | 116.3° | 109.5° |
| CG | CB | H12 | 107.7° | 109.4° |
| CG | CB | H13 | 107.7° | 109.5° |
| CB | CG | H14 | 106.8° | 109.4° |
| CB | CG | H15 | 106.9° | 109.5° |
| CB | CA | C | 110.6° | 109.5° |
| CB | CA | N | 116.9° | 109.5° |
| CB | CA | H11 | 106.6° | 109.5° |
| CA | CB | H12 | 107.7° | 109.5° |
| CA | CB | H13 | 107.7° | 109.5° |
| O | C | CA | 120.3° | 120.1° |
| O | C | OXT | 121.3° | 119.9° |
| CA | C | OXT | 118.4° | 120.0° |
| C | CA | N | 108.7° | 109.4° |
| C | CA | H11 | 106.5° | 109.5° |
| C | OXT | H1 | 109.5° | 117.1° |
| CA | N | CAU | 121.3° | 111.0° |
| CA | N | H9 | 106.4° | 111.0° |
| N | CA | H11 | 107.0° | 109.5° |
| N | CAU | CAS | 114.4° | 109.4° |
| N | CAU | CAM | 109.9° | 109.5° |
| N | CAU | H6 | 107.0° | 109.5° |
| CAU | N | H9 | 106.5° | 111.0° |
| CAS | CAU | CAM | 111.9° | 109.5° |
| CAU | CAS | OAE | 120.4° | 120.0° |
| CAU | CAS | OAH | 119.9° | 120.0° |
| CAS | CAU | H6 | 106.7° | 109.5° |
| CAU | CAM | CAK | 118.6° | 109.5° |
| CAU | CAM | H4 | 107.1° | 109.5° |
| CAU | CAM | H5 | 107.2° | 109.5° |
| CAM | CAU | H6 | 106.4° | 109.4° |
| OAE | CAS | OAH | 119.8° | 120.0° |
| CAS | OAH | H8 | 109.5° | 117.0° |
| CAM | CAK | CAQ | 121.0° | 109.5° |
| CAM | CAK | H2 | 106.5° | 109.5° |
| CAM | CAK | H3 | 106.5° | 109.4° |
| CAK | CAM | H4 | 107.2° | 109.5° |
| CAK | CAM | H5 | 107.1° | 109.4° |
| OAC | CAQ | CAK | 122.2° | 120.0° |
| OAC | CAQ | OAF | 119.0° | 120.0° |
| CAK | CAQ | OAF | 118.8° | 120.0° |
| CAQ | CAK | H2 | 106.5° | 109.5° |
| CAQ | CAK | H3 | 106.5° | 109.4° |
| CAQ | OAF | H7 | 109.5° | 117.0° |
| H2 | CAK | H3 | 109.5° | 109.5° |
| H4 | CAM | H5 | 109.5° | 109.4° |
| H12 | CB | H13 | 109.5° | 109.5° |
| H14 | CG | H15 | 109.5° | 109.5° |
| H16 | CD | H17 | 109.5° | 109.5° |
| H19 | NH2 | H20 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NH1 | CZ | NH2 | NE | 179.4° | 179.9° |
| NH1 | CZ | NE | CD | 1.4° | 0.1° |
| NH1 | CZ | NE | H18 | 178.7° | 180.0° |
| NH1 | CZ | NH2 | H19 | 179.4° | 180.0° |
| NH1 | CZ | NH2 | H20 | 0.6° | 0.1° |
| NH2 | CZ | NE | CD | 179.2° | 180.0° |
| NH2 | CZ | NE | H18 | 0.8° | 0.1° |
| CZ | NH2 | H19 | H20 | 180.0° | 179.9° |
| NH2 | CZ | NH1 | H21 | 179.4° | 179.9° |
| CZ | NE | CD | H18 | 180.0° | 179.9° |
| CZ | NE | CD | CG | 140.7° | 180.0° |
| CZ | NE | CD | H16 | 20.3° | 60.0° |
| CZ | NE | CD | H17 | 98.8° | 60.0° |
| NE | CZ | NH2 | H19 | 0.0° | 0.1° |
| NE | CZ | NH2 | H20 | 180.0° | 180.0° |
| NE | CZ | NH1 | H21 | 0.0° | 0.0° |
| NE | CD | CG | H16 | 120.4° | 120.0° |
| NE | CD | CG | H17 | 120.4° | 120.0° |
| NE | CD | CG | CB | 178.9° | 180.0° |
| NE | CD | CG | H14 | 59.6° | 60.0° |
| NE | CD | CG | H15 | 57.5° | 60.0° |
| NE | CD | H16 | H17 | 118.7° | 120.0° |
| CD | CG | CB | H14 | 121.5° | 120.0° |
| CD | CG | CB | H15 | 121.4° | 120.0° |
| CD | CG | CB | CA | 142.9° | 180.0° |
| CD | CG | CB | H12 | 96.1° | 60.0° |
| CD | CG | CB | H13 | 22.0° | 59.9° |
| CD | CG | H14 | H15 | 115.3° | 120.0° |
| CG | CD | H16 | H17 | 118.8° | 120.0° |
| CG | CD | NE | H18 | 39.2° | 0.0° |
| CG | CB | CA | H12 | 121.0° | 120.0° |
| CG | CB | CA | H13 | 121.0° | 120.0° |
| CG | CB | CA | C | 81.7° | 175.0° |
| CG | CB | CA | N | 43.3° | 65.0° |
| CG | CB | CA | H11 | 162.9° | 55.0° |
| CG | CB | H12 | H13 | 116.9° | 120.0° |
| CB | CG | H14 | H15 | 115.4° | 120.0° |
| CB | CG | CD | H16 | 58.5° | 60.0° |
| CB | CG | CD | H17 | 60.7° | 60.0° |
| CB | CA | C | O | 59.3° | 94.6° |
| CB | CA | C | N | 129.6° | 120.0° |
| CB | CA | C | H11 | 115.4° | 120.0° |
| CB | CA | C | OXT | 120.3° | 85.4° |
| CB | CA | N | H11 | 119.3° | 120.0° |
| CB | CA | N | CAU | 50.3° | 159.5° |
| CB | CA | N | H9 | 172.0° | 76.6° |
| CA | CB | H12 | H13 | 116.9° | 120.1° |
| CA | CB | CG | H14 | 21.5° | 60.0° |
| CA | CB | CG | H15 | 95.6° | 60.0° |
| O | C | CA | OXT | 179.6° | 180.0° |
| O | C | CA | N | 171.1° | 25.4° |
| O | C | OXT | H1 | 0.0° | 0.0° |
| O | C | CA | H11 | 56.1° | 145.4° |
| C | CA | N | H11 | 114.7° | 120.0° |
| C | CA | N | CAU | 176.4° | 80.6° |
| CA | C | OXT | H1 | 179.6° | 180.0° |
| C | CA | N | H9 | 62.0° | 43.4° |
| C | CA | CB | H12 | 157.3° | 65.0° |
| C | CA | CB | H13 | 39.2° | 55.0° |
| OXT | C | CA | N | 9.2° | 154.6° |
| OXT | C | CA | H11 | 124.2° | 34.6° |
| CA | N | CAU | H9 | 121.6° | 124.0° |
| CA | N | CAU | CAS | 48.2° | 129.0° |
| CA | N | CAU | CAM | 175.1° | 111.0° |
| CA | N | CAU | H6 | 69.7° | 9.0° |
| N | CA | CB | H12 | 77.6° | 55.0° |
| N | CA | CB | H13 | 164.3° | 175.0° |
| N | CAU | CAS | CAM | 125.8° | 120.0° |
| N | CAU | CAS | H6 | 118.1° | 120.0° |
| N | CAU | CAM | H6 | 115.6° | 120.0° |
| N | CAU | CAS | OAE | 152.5° | 27.2° |
| N | CAU | CAS | OAH | 27.5° | 152.8° |
| N | CAU | CAM | CAK | 75.5° | 66.1° |
| N | CAU | CAM | H4 | 45.8° | 53.9° |
| N | CAU | CAM | H5 | 163.2° | 173.9° |
| CAU | N | CA | H11 | 69.0° | 39.4° |
| CAS | CAU | CAM | H6 | 116.2° | 120.0° |
| CAU | CAS | OAE | OAH | 180.0° | 180.0° |
| CAS | CAU | CAM | CAK | 52.7° | 173.9° |
| CAS | CAU | CAM | H4 | 174.0° | 66.1° |
| CAS | CAU | CAM | H5 | 68.6° | 53.9° |
| CAU | CAS | OAH | H8 | 180.0° | 180.0° |
| CAS | CAU | N | H9 | 73.4° | 5.0° |
| CAM | CAU | CAS | OAE | 81.6° | 92.8° |
| CAM | CAU | CAS | OAH | 98.4° | 87.2° |
| CAU | CAM | CAK | H4 | 121.3° | 120.0° |
| CAU | CAM | CAK | H5 | 121.3° | 120.0° |
| CAU | CAM | CAK | CAQ | 78.2° | 177.2° |
| CAU | CAM | CAK | H2 | 160.2° | 57.2° |
| CAU | CAM | CAK | H3 | 43.4° | 62.9° |
| CAU | CAM | H4 | H5 | 115.9° | 120.0° |
| CAM | CAU | N | H9 | 53.4° | 125.0° |
| OAE | CAS | CAU | H6 | 34.4° | 147.2° |
| OAE | CAS | OAH | H8 | 0.0° | 0.0° |
| OAH | CAS | CAU | H6 | 145.6° | 32.8° |
| CAM | CAK | CAQ | OAC | 34.5° | 0.1° |
| CAM | CAK | CAQ | H2 | 121.6° | 120.0° |
| CAM | CAK | CAQ | H3 | 121.6° | 119.9° |
| CAM | CAK | CAQ | OAF | 146.8° | 180.0° |
| CAM | CAK | H2 | H3 | 114.8° | 120.0° |
| CAK | CAM | H4 | H5 | 115.8° | 119.9° |
| CAK | CAM | CAU | H6 | 168.9° | 53.9° |
| OAC | CAQ | CAK | OAF | 178.6° | 179.9° |
| OAC | CAQ | CAK | H2 | 156.2° | 119.9° |
| OAC | CAQ | CAK | H3 | 87.1° | 120.0° |
| OAC | CAQ | OAF | H7 | 0.0° | 0.0° |
| CAQ | CAK | H2 | H3 | 114.8° | 120.0° |
| CAQ | CAK | CAM | H4 | 43.1° | 62.7° |
| CAQ | CAK | CAM | H5 | 160.5° | 57.2° |
| CAK | CAQ | OAF | H7 | 178.6° | 179.9° |
| OAF | CAQ | CAK | H2 | 25.2° | 60.0° |
| OAF | CAQ | CAK | H3 | 91.6° | 60.1° |
| H2 | CAK | CAM | H4 | 78.5° | 177.2° |
| H2 | CAK | CAM | H5 | 38.9° | 62.8° |
| H3 | CAK | CAM | H4 | 164.7° | 57.2° |
| H3 | CAK | CAM | H5 | 77.9° | 177.1° |
| H4 | CAM | CAU | H6 | 69.8° | 173.9° |
| H5 | CAM | CAU | H6 | 47.6° | 66.1° |
| H6 | CAU | N | H9 | 168.6° | 115.0° |
| H9 | N | CA | H11 | 52.7° | 163.4° |
| H11 | CA | CB | H12 | 41.9° | 175.0° |
| H11 | CA | CB | H13 | 76.2° | 65.0° |
| H12 | CB | CG | H14 | 142.4° | 180.0° |
| H12 | CB | CG | H15 | 25.3° | 60.0° |
| H13 | CB | CG | H14 | 99.5° | 60.0° |
| H13 | CB | CG | H15 | 143.4° | 179.9° |
| H14 | CG | CD | H16 | 180.0° | 180.0° |
| H14 | CG | CD | H17 | 60.8° | 60.0° |
| H15 | CG | CD | H16 | 62.9° | 60.0° |
| H15 | CG | CD | H17 | 177.9° | 180.0° |
| H16 | CD | NE | H18 | 159.6° | 120.0° |
| H17 | CD | NE | H18 | 81.2° | 120.0° |
