2QD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CD1 | sing | 1.53Å | 1.53Å | |
| CAH | CAN | sing | 1.51Å | 1.53Å | |
| CD1 | CG | sing | 1.53Å | 1.55Å | |
| CAN | NAK | sing | 1.35Å | 1.36Å | |
| CAN | OAE | doub | 1.21Å | 1.25Å | |
| NAK | CAA | sing | 1.47Å | 1.48Å | |
| CG | CB | sing | 1.53Å | 1.55Å | |
| CG | CD2 | sing | 1.51Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| OAG | CD2 | doub | 1.21Å | 1.26Å | |
| CD2 | OAD | sing | 1.34Å | 1.26Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| OAD | H9 | sing | 0.97Å | 0.95Å | |
| CD1 | H10 | sing | 1.09Å | 1.10Å | |
| CD1 | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| NAK | H14 | sing | 0.97Å | 1.00Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | CAH | CAN | 113.4° | 109.4° |
| CAH | CD1 | CG | 113.3° | 109.5° |
| CAH | CD1 | H10 | 108.5° | 109.5° |
| CAH | CD1 | H11 | 108.5° | 109.5° |
| CD1 | CAH | H12 | 108.5° | 109.4° |
| CD1 | CAH | H13 | 108.5° | 109.5° |
| CAH | CAN | NAK | 113.0° | 120.0° |
| CAH | CAN | OAE | 121.2° | 120.0° |
| CAN | CAH | H12 | 108.5° | 109.5° |
| CAN | CAH | H13 | 108.5° | 109.5° |
| CD1 | CG | CB | 112.9° | 109.5° |
| CD1 | CG | CD2 | 107.4° | 109.5° |
| CD1 | CG | H8 | 108.2° | 109.5° |
| CG | CD1 | H10 | 108.5° | 109.4° |
| CG | CD1 | H11 | 108.5° | 109.4° |
| NAK | CAN | OAE | 125.8° | 120.1° |
| CAN | NAK | CAA | 118.0° | 120.0° |
| CAN | NAK | H14 | 121.0° | 120.0° |
| CAA | NAK | H14 | 121.0° | 120.0° |
| NAK | CAA | H15 | 109.5° | 109.5° |
| NAK | CAA | H16 | 109.4° | 109.5° |
| NAK | CAA | H17 | 109.4° | 109.4° |
| CB | CG | CD2 | 111.7° | 109.5° |
| CG | CB | CA | 114.0° | 109.5° |
| CG | CB | H6 | 108.3° | 109.4° |
| CG | CB | H7 | 108.3° | 109.5° |
| CB | CG | H8 | 108.2° | 109.4° |
| CG | CD2 | OAG | 115.9° | 120.0° |
| CG | CD2 | OAD | 116.3° | 120.0° |
| CD2 | CG | H8 | 108.4° | 109.5° |
| CB | CA | C | 111.5° | 109.5° |
| CB | CA | N | 112.1° | 109.5° |
| CB | CA | H2 | 107.7° | 109.5° |
| CA | CB | H6 | 108.3° | 109.5° |
| CA | CB | H7 | 108.3° | 109.5° |
| OAG | CD2 | OAD | 127.8° | 120.0° |
| CD2 | OAD | H9 | 109.5° | 117.0° |
| O | C | CA | 117.6° | 120.0° |
| O | C | OXT | 125.7° | 120.1° |
| C | CA | N | 108.8° | 109.4° |
| CA | C | OXT | 116.8° | 120.0° |
| C | CA | H2 | 107.9° | 109.5° |
| N | CA | H2 | 108.7° | 109.5° |
| CA | N | H3 | 109.5° | 111.0° |
| CA | N | H4 | 109.4° | 111.0° |
| C | OXT | H1 | 109.5° | 117.0° |
| H3 | N | H4 | 109.4° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H10 | CD1 | H11 | 109.5° | 109.5° |
| H12 | CAH | H13 | 109.4° | 109.5° |
| H15 | CAA | H16 | 109.5° | 109.5° |
| H15 | CAA | H17 | 109.5° | 109.5° |
| H16 | CAA | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | CAH | CAN | H12 | 120.6° | 119.9° |
| CD1 | CAH | CAN | H13 | 120.6° | 120.0° |
| CAH | CD1 | CG | H10 | 120.6° | 120.0° |
| CAH | CD1 | CG | H11 | 120.6° | 120.0° |
| CD1 | CAH | CAN | NAK | 116.2° | 180.0° |
| CD1 | CAH | CAN | OAE | 63.5° | 0.0° |
| CAH | CD1 | CG | CB | 93.1° | 175.0° |
| CAH | CD1 | CG | CD2 | 143.3° | 65.0° |
| CAH | CD1 | CG | H8 | 26.5° | 55.0° |
| CAH | CD1 | H10 | H11 | 118.2° | 120.1° |
| CD1 | CAH | H12 | H13 | 118.2° | 120.0° |
| CAN | CAH | CD1 | CG | 33.2° | 180.0° |
| CAH | CAN | NAK | OAE | 179.8° | 180.0° |
| CAH | CAN | NAK | CAA | 179.7° | 180.0° |
| CAN | CAH | CD1 | H10 | 87.3° | 60.1° |
| CAN | CAH | CD1 | H11 | 153.8° | 60.0° |
| CAN | CAH | H12 | H13 | 118.2° | 120.1° |
| CAH | CAN | NAK | H14 | 0.3° | 0.1° |
| CD1 | CG | CB | CD2 | 121.2° | 120.0° |
| CD1 | CG | CB | H8 | 119.7° | 120.0° |
| CD1 | CG | CD2 | H8 | 116.7° | 120.1° |
| CD1 | CG | CB | CA | 172.5° | 175.0° |
| CD1 | CG | CD2 | OAG | 80.5° | 120.0° |
| CD1 | CG | CD2 | OAD | 98.5° | 60.0° |
| CD1 | CG | CB | H6 | 51.9° | 55.0° |
| CD1 | CG | CB | H7 | 66.8° | 65.0° |
| CG | CD1 | H10 | H11 | 118.2° | 119.9° |
| CG | CD1 | CAH | H12 | 87.4° | 60.0° |
| CG | CD1 | CAH | H13 | 153.8° | 60.0° |
| CAN | NAK | CAA | H14 | 180.0° | 180.0° |
| NAK | CAN | CAH | H12 | 4.4° | 60.1° |
| NAK | CAN | CAH | H13 | 123.2° | 60.0° |
| CAN | NAK | CAA | H15 | 180.0° | 60.0° |
| CAN | NAK | CAA | H16 | 60.0° | 60.0° |
| CAN | NAK | CAA | H17 | 60.0° | 180.0° |
| OAE | CAN | NAK | CAA | 0.5° | 0.0° |
| OAE | CAN | CAH | H12 | 175.9° | 120.0° |
| OAE | CAN | CAH | H13 | 57.1° | 120.0° |
| OAE | CAN | NAK | H14 | 179.4° | 180.0° |
| NAK | CAA | H15 | H16 | 120.0° | 120.0° |
| NAK | CAA | H15 | H17 | 120.0° | 120.0° |
| NAK | CAA | H16 | H17 | 120.0° | 119.9° |
| CB | CG | CD2 | H8 | 119.0° | 119.9° |
| CG | CB | CA | H6 | 120.7° | 119.9° |
| CG | CB | CA | H7 | 120.7° | 120.0° |
| CB | CG | CD2 | OAG | 43.8° | 0.0° |
| CB | CG | CD2 | OAD | 137.2° | 180.0° |
| CG | CB | CA | C | 157.9° | 175.0° |
| CG | CB | CA | N | 79.8° | 65.0° |
| CG | CB | CA | H2 | 39.8° | 55.0° |
| CG | CB | H6 | H7 | 117.9° | 120.0° |
| CB | CG | CD1 | H10 | 146.3° | 55.0° |
| CB | CG | CD1 | H11 | 27.4° | 65.0° |
| CD2 | CG | CB | CA | 51.4° | 65.0° |
| CG | CD2 | OAG | OAD | 178.9° | 180.0° |
| CD2 | CG | CB | H6 | 69.3° | 175.0° |
| CD2 | CG | CB | H7 | 172.1° | 55.0° |
| CG | CD2 | OAD | H9 | 178.9° | 180.0° |
| CD2 | CG | CD1 | H10 | 22.8° | 175.0° |
| CD2 | CG | CD1 | H11 | 96.1° | 55.0° |
| CB | CA | C | O | 57.5° | 100.0° |
| CB | CA | C | N | 124.2° | 120.0° |
| CB | CA | C | H2 | 118.1° | 120.0° |
| CB | CA | N | H2 | 119.0° | 120.0° |
| CB | CA | C | OXT | 123.1° | 80.3° |
| CB | CA | N | H3 | 180.0° | 176.1° |
| CB | CA | N | H4 | 60.0° | 60.0° |
| CA | CB | H6 | H7 | 117.9° | 120.1° |
| CA | CB | CG | H8 | 67.8° | 55.0° |
| OAG | CD2 | CG | H8 | 162.8° | 120.0° |
| OAG | CD2 | OAD | H9 | 0.0° | 0.0° |
| OAD | CD2 | CG | H8 | 18.2° | 60.0° |
| O | C | CA | OXT | 179.4° | 179.7° |
| O | C | CA | N | 178.3° | 20.0° |
| O | C | OXT | H1 | 0.0° | 0.0° |
| O | C | CA | H2 | 60.6° | 140.0° |
| C | CA | N | H2 | 117.2° | 120.0° |
| CA | C | OXT | H1 | 179.4° | 179.7° |
| C | CA | N | H3 | 56.1° | 64.0° |
| C | CA | N | H4 | 63.8° | 60.0° |
| C | CA | CB | H6 | 37.3° | 65.0° |
| C | CA | CB | H7 | 81.4° | 55.0° |
| N | CA | C | OXT | 1.1° | 159.7° |
| CA | N | H3 | H4 | 120.0° | 123.9° |
| N | CA | CB | H6 | 159.6° | 54.9° |
| N | CA | CB | H7 | 40.9° | 175.0° |
| OXT | C | CA | H2 | 118.8° | 39.7° |
| H2 | CA | N | H3 | 61.1° | 56.1° |
| H2 | CA | N | H4 | 179.0° | 180.0° |
| H2 | CA | CB | H6 | 80.9° | 175.0° |
| H2 | CA | CB | H7 | 160.5° | 65.0° |
| H6 | CB | CG | H8 | 171.5° | 65.0° |
| H7 | CB | CG | H8 | 52.9° | 175.0° |
| H8 | CG | CD1 | H10 | 94.1° | 65.0° |
| H8 | CG | CD1 | H11 | 147.1° | 175.0° |
| H10 | CD1 | CAH | H12 | 152.1° | 180.0° |
| H10 | CD1 | CAH | H13 | 33.3° | 60.0° |
| H11 | CD1 | CAH | H12 | 33.2° | 60.0° |
| H11 | CD1 | CAH | H13 | 85.6° | 180.0° |
| H14 | NAK | CAA | H15 | 0.0° | 120.0° |
| H14 | NAK | CAA | H16 | 120.0° | 119.9° |
| H14 | NAK | CAA | H17 | 120.0° | 0.0° |
| H15 | CAA | H16 | H17 | 120.0° | 120.0° |
