2G4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.26Å | |
| OE2 | CD | doub | 1.21Å | 1.26Å | |
| CD | OE1 | sing | 1.34Å | 1.28Å | |
| CD | CG | sing | 1.51Å | 1.55Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.57Å | |
| CA | N | sing | 1.47Å | 1.50Å | |
| CAP | CAM | sing | 1.53Å | 1.50Å | |
| CAP | CAV | sing | 1.51Å | 1.52Å | |
| CAM | CAL | sing | 1.53Å | 1.54Å | |
| OAC | PAX | doub | 1.48Å | 1.55Å | |
| N | PAX | sing | 1.68Å | 1.66Å | |
| CAV | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAV | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAN | CAL | sing | 1.53Å | 1.55Å | |
| CAN | OAS | sing | 1.43Å | 1.41Å | |
| CAK | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| PAX | OAS | sing | 1.61Å | 1.55Å | |
| PAX | OAF | sing | 1.61Å | 1.49Å | |
| CAJ | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAK | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| OAF | H14 | sing | 0.97Å | 0.95Å | |
| N | H15 | sing | 1.01Å | 1.00Å | |
| CA | H16 | sing | 1.09Å | 1.10Å | |
| OXT | H17 | sing | 0.97Å | 0.95Å | |
| CB | H18 | sing | 1.09Å | 1.10Å | |
| CB | H19 | sing | 1.09Å | 1.10Å | |
| CG | H20 | sing | 1.09Å | 1.10Å | |
| CG | H21 | sing | 1.09Å | 1.10Å | |
| OE1 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 125.4° | 120.0° |
| O | C | CA | 117.5° | 120.0° |
| OE2 | CD | OE1 | 123.8° | 120.0° |
| OE2 | CD | CG | 119.0° | 120.0° |
| OE1 | CD | CG | 116.9° | 120.0° |
| CD | OE1 | H22 | 109.5° | 117.0° |
| CD | CG | CB | 113.2° | 109.5° |
| CD | CG | H20 | 108.5° | 109.5° |
| CD | CG | H21 | 108.5° | 109.5° |
| OXT | C | CA | 117.1° | 120.0° |
| C | OXT | H17 | 109.5° | 117.0° |
| C | CA | CB | 107.0° | 109.5° |
| C | CA | N | 112.3° | 109.5° |
| C | CA | H16 | 107.6° | 109.5° |
| CG | CB | CA | 108.8° | 109.5° |
| CG | CB | H18 | 109.6° | 109.5° |
| CG | CB | H19 | 109.6° | 109.5° |
| CB | CG | H20 | 108.6° | 109.5° |
| CB | CG | H21 | 108.6° | 109.4° |
| CB | CA | N | 114.1° | 109.5° |
| CB | CA | H16 | 107.4° | 109.5° |
| CA | CB | H18 | 109.6° | 109.5° |
| CA | CB | H19 | 109.6° | 109.5° |
| CA | N | PAX | 116.7° | 111.0° |
| CA | N | H15 | 107.7° | 111.0° |
| N | CA | H16 | 108.3° | 109.5° |
| CAM | CAP | CAV | 106.5° | 109.5° |
| CAP | CAM | CAL | 110.8° | 109.5° |
| CAM | CAP | H6 | 110.2° | 109.5° |
| CAM | CAP | H7 | 110.2° | 109.4° |
| CAP | CAM | H8 | 109.1° | 109.5° |
| CAP | CAM | H9 | 109.1° | 109.5° |
| CAP | CAV | CAK | 118.2° | 120.0° |
| CAP | CAV | CAJ | 120.1° | 120.0° |
| CAV | CAP | H6 | 110.2° | 109.5° |
| CAV | CAP | H7 | 110.2° | 109.5° |
| CAM | CAL | CAN | 107.5° | 109.5° |
| CAL | CAM | H8 | 109.2° | 109.5° |
| CAL | CAM | H9 | 109.1° | 109.5° |
| CAM | CAL | H10 | 110.0° | 109.5° |
| CAM | CAL | H11 | 110.0° | 109.5° |
| OAC | PAX | N | 110.3° | 109.4° |
| OAC | PAX | OAS | 110.8° | 109.5° |
| OAC | PAX | OAF | 110.6° | 109.4° |
| N | PAX | OAS | 106.6° | 109.5° |
| N | PAX | OAF | 110.4° | 109.5° |
| PAX | N | H15 | 107.7° | 111.1° |
| CAK | CAV | CAJ | 121.7° | 120.0° |
| CAV | CAK | CAI | 119.0° | 120.0° |
| CAV | CAK | H5 | 120.5° | 120.0° |
| CAV | CAJ | CAH | 119.1° | 120.0° |
| CAV | CAJ | H1 | 120.4° | 120.0° |
| CAL | CAN | OAS | 106.6° | 109.4° |
| CAN | CAL | H10 | 110.0° | 109.5° |
| CAN | CAL | H11 | 110.0° | 109.5° |
| CAL | CAN | H12 | 110.2° | 109.5° |
| CAL | CAN | H13 | 110.2° | 109.5° |
| CAN | OAS | PAX | 118.7° | 123.0° |
| OAS | CAN | H12 | 110.2° | 109.5° |
| OAS | CAN | H13 | 110.2° | 109.5° |
| CAK | CAI | CAG | 119.0° | 120.0° |
| CAK | CAI | H4 | 120.5° | 120.0° |
| CAI | CAK | H5 | 120.5° | 120.0° |
| OAS | PAX | OAF | 108.1° | 109.5° |
| PAX | OAF | H14 | 109.5° | 113.9° |
| CAJ | CAH | CAG | 119.3° | 120.0° |
| CAH | CAJ | H1 | 120.5° | 120.0° |
| CAJ | CAH | H2 | 120.4° | 120.0° |
| CAI | CAG | CAH | 122.1° | 120.0° |
| CAI | CAG | H3 | 119.0° | 120.0° |
| CAG | CAI | H4 | 120.5° | 120.0° |
| CAG | CAH | H2 | 120.4° | 120.0° |
| CAH | CAG | H3 | 119.0° | 120.0° |
| H6 | CAP | H7 | 109.5° | 109.5° |
| H8 | CAM | H9 | 109.5° | 109.4° |
| H10 | CAL | H11 | 109.5° | 109.5° |
| H12 | CAN | H13 | 109.5° | 109.5° |
| H18 | CB | H19 | 109.5° | 109.4° |
| H20 | CG | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.7° | 180.0° |
| O | C | CA | CB | 81.1° | 120.0° |
| O | C | CA | N | 153.0° | 0.0° |
| O | C | CA | H16 | 33.9° | 120.0° |
| O | C | OXT | H17 | 0.0° | 0.0° |
| OE2 | CD | OE1 | CG | 173.1° | 179.9° |
| OE2 | CD | CG | CB | 22.3° | 0.1° |
| OE2 | CD | CG | H20 | 98.3° | 119.9° |
| OE2 | CD | CG | H21 | 142.8° | 120.0° |
| OE2 | CD | OE1 | H22 | 0.0° | 0.1° |
| OE1 | CD | CG | CB | 164.2° | 180.0° |
| OE1 | CD | CG | H20 | 75.2° | 59.9° |
| OE1 | CD | CG | H21 | 43.7° | 60.1° |
| CD | CG | CB | H20 | 120.5° | 120.0° |
| CD | CG | CB | H21 | 120.5° | 120.0° |
| CD | CG | CB | CA | 167.6° | 180.0° |
| CD | CG | CB | H18 | 72.5° | 60.0° |
| CD | CG | CB | H19 | 47.7° | 60.0° |
| CD | CG | H20 | H21 | 118.3° | 120.0° |
| CG | CD | OE1 | H22 | 173.2° | 180.0° |
| OXT | C | CA | CB | 99.1° | 60.0° |
| OXT | C | CA | N | 26.8° | 180.0° |
| OXT | C | CA | H16 | 145.8° | 60.0° |
| C | CA | CB | CG | 70.3° | 175.0° |
| C | CA | CB | N | 124.8° | 120.0° |
| C | CA | CB | H16 | 115.2° | 120.0° |
| C | CA | N | H16 | 118.6° | 120.0° |
| C | CA | N | PAX | 76.7° | 95.0° |
| C | CA | N | H15 | 44.4° | 29.0° |
| CA | C | OXT | H17 | 179.7° | 180.0° |
| C | CA | CB | H18 | 169.8° | 65.0° |
| C | CA | CB | H19 | 49.5° | 55.0° |
| CG | CB | CA | H18 | 119.9° | 120.0° |
| CG | CB | CA | H19 | 119.9° | 120.0° |
| CG | CB | CA | N | 54.4° | 65.0° |
| CG | CB | CA | H16 | 174.5° | 55.0° |
| CG | CB | H18 | H19 | 120.3° | 120.0° |
| CB | CG | H20 | H21 | 118.3° | 120.0° |
| CB | CA | N | H16 | 119.5° | 120.0° |
| CB | CA | N | PAX | 161.4° | 144.9° |
| CB | CA | N | H15 | 77.5° | 91.0° |
| CA | CB | H18 | H19 | 120.3° | 120.0° |
| CA | CB | CG | H20 | 47.1° | 60.0° |
| CA | CB | CG | H21 | 71.9° | 60.0° |
| CA | N | PAX | OAC | 18.4° | 180.0° |
| CA | N | PAX | H15 | 121.1° | 124.0° |
| CA | N | PAX | OAS | 138.7° | 60.0° |
| CA | N | PAX | OAF | 104.1° | 60.1° |
| N | CA | CB | H18 | 65.4° | 55.0° |
| N | CA | CB | H19 | 174.3° | 175.0° |
| CAM | CAP | CAV | H6 | 119.5° | 120.0° |
| CAM | CAP | CAV | H7 | 119.5° | 120.0° |
| CAP | CAM | CAL | H8 | 120.2° | 120.0° |
| CAP | CAM | CAL | H9 | 120.2° | 120.0° |
| CAM | CAP | CAV | CAK | 91.0° | 90.0° |
| CAM | CAP | CAV | CAJ | 89.9° | 90.6° |
| CAP | CAM | CAL | CAN | 144.6° | 180.0° |
| CAM | CAP | H6 | H7 | 121.3° | 120.0° |
| CAP | CAM | H8 | H9 | 119.4° | 120.0° |
| CAP | CAM | CAL | H10 | 24.8° | 60.0° |
| CAP | CAM | CAL | H11 | 95.7° | 60.0° |
| CAV | CAP | CAM | CAL | 68.4° | 180.0° |
| CAP | CAV | CAK | CAJ | 179.1° | 179.4° |
| CAP | CAV | CAK | CAI | 179.4° | 180.0° |
| CAP | CAV | CAJ | CAH | 179.4° | 180.0° |
| CAP | CAV | CAJ | H1 | 0.6° | 0.4° |
| CAP | CAV | CAK | H5 | 0.6° | 0.3° |
| CAV | CAP | H6 | H7 | 121.4° | 120.0° |
| CAV | CAP | CAM | H8 | 51.8° | 60.0° |
| CAV | CAP | CAM | H9 | 171.4° | 60.0° |
| CAM | CAL | CAN | H10 | 119.7° | 120.0° |
| CAM | CAL | CAN | H11 | 119.7° | 120.0° |
| CAM | CAL | CAN | OAS | 178.9° | 180.0° |
| CAL | CAM | CAP | H6 | 51.2° | 60.0° |
| CAL | CAM | CAP | H7 | 172.1° | 60.0° |
| CAL | CAM | H8 | H9 | 119.4° | 120.0° |
| CAM | CAL | H10 | H11 | 120.9° | 120.0° |
| CAM | CAL | CAN | H12 | 59.4° | 60.0° |
| CAM | CAL | CAN | H13 | 61.5° | 60.0° |
| OAC | PAX | N | OAS | 120.3° | 120.0° |
| OAC | PAX | N | OAF | 122.6° | 119.9° |
| OAC | PAX | OAS | CAN | 62.8° | 50.0° |
| OAC | PAX | OAS | OAF | 121.3° | 120.0° |
| OAC | PAX | OAF | H14 | 0.0° | 180.0° |
| OAC | PAX | N | H15 | 102.6° | 56.0° |
| N | PAX | OAS | CAN | 57.2° | 70.0° |
| N | PAX | OAS | OAF | 118.7° | 120.0° |
| N | PAX | OAF | H14 | 122.4° | 60.1° |
| PAX | N | CA | H16 | 41.9° | 25.0° |
| CAV | CAK | CAI | H5 | 180.0° | 179.7° |
| CAK | CAV | CAJ | CAH | 0.4° | 0.6° |
| CAV | CAK | CAI | CAG | 0.2° | 0.2° |
| CAK | CAV | CAJ | H1 | 179.6° | 179.7° |
| CAV | CAK | CAI | H4 | 179.8° | 179.7° |
| CAK | CAV | CAP | H6 | 149.4° | 150.0° |
| CAK | CAV | CAP | H7 | 28.5° | 29.9° |
| CAJ | CAV | CAK | CAI | 0.3° | 0.6° |
| CAV | CAJ | CAH | H1 | 180.0° | 179.7° |
| CAV | CAJ | CAH | CAG | 0.4° | 0.3° |
| CAV | CAJ | CAH | H2 | 179.6° | 179.7° |
| CAJ | CAV | CAK | H5 | 179.6° | 179.7° |
| CAJ | CAV | CAP | H6 | 29.6° | 29.4° |
| CAJ | CAV | CAP | H7 | 150.6° | 149.4° |
| CAL | CAN | OAS | H12 | 119.6° | 120.0° |
| CAL | CAN | OAS | H13 | 119.6° | 120.0° |
| CAL | CAN | OAS | PAX | 122.3° | 180.0° |
| CAN | CAL | CAM | H8 | 95.3° | 60.0° |
| CAN | CAL | CAM | H9 | 24.4° | 60.0° |
| CAN | CAL | H10 | H11 | 120.9° | 120.0° |
| CAL | CAN | H12 | H13 | 121.3° | 120.0° |
| CAN | OAS | PAX | OAF | 175.9° | 169.9° |
| OAS | CAN | CAL | H10 | 61.4° | 60.0° |
| OAS | CAN | CAL | H11 | 59.2° | 60.0° |
| OAS | CAN | H12 | H13 | 121.3° | 120.1° |
| CAK | CAI | CAG | H4 | 180.0° | 179.9° |
| CAK | CAI | CAG | CAH | 0.2° | 0.1° |
| CAK | CAI | CAG | H3 | 179.8° | 180.0° |
| PAX | OAS | CAN | H12 | 118.2° | 60.0° |
| PAX | OAS | CAN | H13 | 2.7° | 60.0° |
| OAS | PAX | OAF | H14 | 121.4° | 60.0° |
| OAS | PAX | N | H15 | 17.7° | 176.0° |
| OAF | PAX | N | H15 | 134.8° | 63.9° |
| CAJ | CAH | CAG | CAI | 0.3° | 0.1° |
| CAJ | CAH | CAG | H2 | 180.0° | 180.0° |
| CAJ | CAH | CAG | H3 | 179.7° | 180.0° |
| CAI | CAG | CAH | H3 | 180.0° | 179.9° |
| CAI | CAG | CAH | H2 | 179.7° | 180.0° |
| CAG | CAI | CAK | H5 | 179.7° | 180.0° |
| CAG | CAH | CAJ | H1 | 179.6° | 179.9° |
| CAH | CAG | CAI | H4 | 179.8° | 180.0° |
| H1 | CAJ | CAH | H2 | 0.4° | 0.0° |
| H2 | CAH | CAG | H3 | 0.3° | 0.1° |
| H3 | CAG | CAI | H4 | 0.2° | 0.1° |
| H4 | CAI | CAK | H5 | 0.3° | 0.1° |
| H6 | CAP | CAM | H8 | 171.4° | 180.0° |
| H6 | CAP | CAM | H9 | 69.0° | 60.1° |
| H7 | CAP | CAM | H8 | 67.7° | 60.0° |
| H7 | CAP | CAM | H9 | 51.9° | 179.9° |
| H8 | CAM | CAL | H10 | 145.0° | 180.0° |
| H8 | CAM | CAL | H11 | 24.4° | 60.0° |
| H9 | CAM | CAL | H10 | 95.3° | 60.0° |
| H9 | CAM | CAL | H11 | 144.1° | 179.9° |
| H10 | CAL | CAN | H12 | 179.1° | 180.0° |
| H10 | CAL | CAN | H13 | 58.2° | 60.0° |
| H11 | CAL | CAN | H12 | 60.3° | 60.0° |
| H11 | CAL | CAN | H13 | 178.8° | 180.0° |
| H15 | N | CA | H16 | 163.0° | 149.0° |
| H16 | CA | CB | H18 | 54.6° | 175.0° |
| H16 | CA | CB | H19 | 65.7° | 65.0° |
| H18 | CB | CG | H20 | 166.9° | 180.0° |
| H18 | CB | CG | H21 | 48.0° | 60.0° |
| H19 | CB | CG | H20 | 72.8° | 60.0° |
| H19 | CB | CG | H21 | 168.3° | 180.0° |
