11W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.25Å | |
| C | O | sing | 1.34Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| OAE | CD2 | doub | 1.21Å | 1.26Å | |
| CD2 | CG | sing | 1.51Å | 1.56Å | |
| CD2 | OAC | sing | 1.34Å | 1.26Å | |
| CG | CD1 | sing | 1.53Å | 1.57Å | |
| CD1 | CAF | sing | 1.51Å | 1.40Å | |
| CAF | CAG | doub | 1.33Å | 1.39Å | |
| CAG | CAW | sing | 1.48Å | 1.40Å | |
| CAW | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| CAW | CAN | sing | 1.40Å | 1.41Å | Aromatic |
| CAM | CAO | sing | 1.37Å | 1.39Å | Aromatic |
| CAN | CAP | doub | 1.37Å | 1.40Å | Aromatic |
| CAO | CAY | doub | 1.40Å | 1.40Å | Aromatic |
| CAP | CAY | sing | 1.40Å | 1.41Å | Aromatic |
| CAY | NAT | sing | 1.37Å | 1.34Å | |
| NAT | NAS | doub | 1.29Å | 1.23Å | |
| NAS | CAX | sing | 1.37Å | 1.33Å | |
| CAK | CAX | doub | 1.40Å | 1.40Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAX | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.08Å | 1.08Å | |
| CAN | H7 | sing | 1.08Å | 1.08Å | |
| CAO | H8 | sing | 1.08Å | 1.08Å | |
| CAM | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CD1 | H12 | sing | 1.09Å | 1.10Å | |
| CD1 | H13 | sing | 1.09Å | 1.10Å | |
| CG | H14 | sing | 1.09Å | 1.10Å | |
| OAC | H15 | sing | 0.97Å | 0.95Å | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| CB | H17 | sing | 1.09Å | 1.10Å | |
| CA | H18 | sing | 1.09Å | 1.10Å | |
| O | H19 | sing | 0.97Å | 0.95Å | |
| N | H20 | sing | 1.01Å | 1.00Å | |
| N | H21 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 124.8° | 120.0° |
| OXT | C | CA | 117.5° | 120.0° |
| O | C | CA | 117.6° | 120.0° |
| C | O | H19 | 109.5° | 117.0° |
| C | CA | N | 109.9° | 109.5° |
| C | CA | CB | 111.8° | 109.5° |
| C | CA | H18 | 108.7° | 109.5° |
| N | CA | CB | 108.6° | 109.4° |
| N | CA | H18 | 109.3° | 109.5° |
| CA | N | H20 | 109.5° | 111.0° |
| CA | N | H21 | 109.4° | 111.0° |
| CA | CB | CG | 108.1° | 109.5° |
| CA | CB | H16 | 109.8° | 109.4° |
| CA | CB | H17 | 109.8° | 109.5° |
| CB | CA | H18 | 108.6° | 109.5° |
| CB | CG | CD2 | 113.6° | 109.5° |
| CB | CG | CD1 | 118.2° | 109.4° |
| CB | CG | H14 | 107.0° | 109.5° |
| CG | CB | H16 | 109.8° | 109.5° |
| CG | CB | H17 | 109.8° | 109.5° |
| OAE | CD2 | CG | 119.3° | 120.0° |
| OAE | CD2 | OAC | 125.3° | 120.0° |
| CG | CD2 | OAC | 115.1° | 120.0° |
| CD2 | CG | CD1 | 103.7° | 109.4° |
| CD2 | CG | H14 | 106.9° | 109.5° |
| CD2 | OAC | H15 | 109.5° | 117.0° |
| CG | CD1 | CAF | 126.4° | 109.4° |
| CG | CD1 | H12 | 105.1° | 109.5° |
| CG | CD1 | H13 | 105.1° | 109.4° |
| CD1 | CG | H14 | 106.8° | 109.6° |
| CD1 | CAF | CAG | 124.1° | 120.0° |
| CD1 | CAF | H11 | 118.0° | 120.0° |
| CAF | CD1 | H12 | 105.1° | 109.5° |
| CAF | CD1 | H13 | 105.1° | 109.4° |
| CAF | CAG | CAW | 121.5° | 120.0° |
| CAF | CAG | H10 | 119.2° | 120.0° |
| CAG | CAF | H11 | 118.0° | 120.0° |
| CAG | CAW | CAM | 118.0° | 120.0° |
| CAG | CAW | CAN | 121.7° | 119.9° |
| CAW | CAG | H10 | 119.2° | 120.0° |
| CAM | CAW | CAN | 120.4° | 120.1° |
| CAW | CAM | CAO | 120.5° | 120.0° |
| CAW | CAM | H9 | 119.8° | 120.0° |
| CAW | CAN | CAP | 119.2° | 120.0° |
| CAW | CAN | H7 | 120.4° | 120.1° |
| CAM | CAO | CAY | 119.3° | 120.0° |
| CAM | CAO | H8 | 120.3° | 120.0° |
| CAO | CAM | H9 | 119.7° | 120.0° |
| CAN | CAP | CAY | 119.7° | 120.0° |
| CAN | CAP | H6 | 120.2° | 120.0° |
| CAP | CAN | H7 | 120.4° | 119.9° |
| CAO | CAY | CAP | 120.9° | 120.0° |
| CAO | CAY | NAT | 117.0° | 120.0° |
| CAY | CAO | H8 | 120.3° | 120.0° |
| CAP | CAY | NAT | 122.1° | 120.0° |
| CAY | CAP | H6 | 120.2° | 120.0° |
| CAY | NAT | NAS | 124.4° | 120.0° |
| NAT | NAS | CAX | 118.6° | 120.0° |
| NAS | CAX | CAK | 120.1° | 120.1° |
| NAS | CAX | CAL | 119.7° | 120.2° |
| CAX | CAK | CAI | 119.7° | 119.8° |
| CAK | CAX | CAL | 120.2° | 119.7° |
| CAX | CAK | H1 | 120.1° | 120.1° |
| CAK | CAI | CAH | 119.9° | 120.2° |
| CAI | CAK | H1 | 120.2° | 120.1° |
| CAK | CAI | H2 | 120.1° | 119.9° |
| CAX | CAL | CAJ | 120.0° | 119.8° |
| CAX | CAL | H5 | 120.1° | 120.1° |
| CAI | CAH | CAJ | 120.4° | 120.3° |
| CAH | CAI | H2 | 120.0° | 119.9° |
| CAI | CAH | H3 | 119.8° | 119.8° |
| CAL | CAJ | CAH | 119.8° | 120.2° |
| CAL | CAJ | H4 | 120.1° | 119.9° |
| CAJ | CAL | H5 | 120.0° | 120.1° |
| CAJ | CAH | H3 | 119.8° | 119.8° |
| CAH | CAJ | H4 | 120.1° | 119.9° |
| H12 | CD1 | H13 | 109.4° | 109.5° |
| H16 | CB | H17 | 109.5° | 109.5° |
| H20 | N | H21 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 175.8° | 179.9° |
| OXT | C | CA | N | 12.7° | 20.0° |
| OXT | C | CA | CB | 133.4° | 99.9° |
| OXT | C | CA | H18 | 106.8° | 140.0° |
| OXT | C | O | H19 | 0.0° | 0.1° |
| O | C | CA | N | 163.4° | 160.1° |
| O | C | CA | CB | 42.7° | 80.0° |
| O | C | CA | H18 | 77.1° | 40.0° |
| C | CA | N | CB | 122.5° | 120.0° |
| C | CA | N | H18 | 119.2° | 120.0° |
| C | CA | CB | H18 | 119.9° | 120.0° |
| C | CA | CB | CG | 165.2° | 175.0° |
| C | CA | CB | H16 | 75.0° | 55.0° |
| C | CA | CB | H17 | 45.5° | 65.0° |
| CA | C | O | H19 | 175.8° | 180.0° |
| C | CA | N | H20 | 180.0° | 60.0° |
| C | CA | N | H21 | 60.0° | 176.1° |
| N | CA | CB | H18 | 118.8° | 120.0° |
| N | CA | CB | CG | 73.4° | 65.0° |
| N | CA | CB | H16 | 46.4° | 175.0° |
| N | CA | CB | H17 | 166.8° | 55.0° |
| CA | N | H20 | H21 | 120.0° | 123.9° |
| CA | CB | CG | H16 | 119.8° | 120.0° |
| CA | CB | CG | H17 | 119.8° | 120.0° |
| CA | CB | CG | CD2 | 64.3° | 65.0° |
| CA | CB | CG | CD1 | 173.9° | 175.1° |
| CA | CB | CG | H14 | 53.4° | 55.0° |
| CA | CB | H16 | H17 | 120.7° | 120.0° |
| CB | CA | N | H20 | 57.5° | 60.0° |
| CB | CA | N | H21 | 177.5° | 63.9° |
| CB | CG | CD2 | OAE | 31.2° | 120.0° |
| CB | CG | CD2 | CD1 | 129.6° | 119.9° |
| CB | CG | CD2 | H14 | 117.8° | 120.0° |
| CB | CG | CD2 | OAC | 155.0° | 60.0° |
| CB | CG | CD1 | H14 | 120.6° | 120.0° |
| CB | CG | CD1 | CAF | 17.4° | 175.0° |
| CB | CG | CD1 | H12 | 104.9° | 65.0° |
| CB | CG | CD1 | H13 | 139.7° | 55.1° |
| CG | CB | H16 | H17 | 120.6° | 120.0° |
| CG | CB | CA | H18 | 45.4° | 55.0° |
| OAE | CD2 | CG | OAC | 173.8° | 179.9° |
| OAE | CD2 | CG | CD1 | 98.3° | 0.1° |
| OAE | CD2 | CG | H14 | 149.1° | 120.0° |
| OAE | CD2 | OAC | H15 | 0.0° | 0.1° |
| CD2 | CG | CD1 | H14 | 112.7° | 120.0° |
| CD2 | CG | CD1 | CAF | 144.2° | 65.1° |
| CD2 | CG | CD1 | H12 | 21.9° | 55.0° |
| CD2 | CG | CD1 | H13 | 93.6° | 175.0° |
| CG | CD2 | OAC | H15 | 173.3° | 180.0° |
| CD2 | CG | CB | H16 | 175.9° | 55.0° |
| CD2 | CG | CB | H17 | 55.5° | 175.0° |
| OAC | CD2 | CG | CD1 | 75.5° | 180.0° |
| OAC | CD2 | CG | H14 | 37.2° | 59.9° |
| CG | CD1 | CAF | H12 | 122.3° | 120.1° |
| CG | CD1 | CAF | H13 | 122.3° | 119.9° |
| CG | CD1 | CAF | CAG | 61.9° | 125.0° |
| CG | CD1 | CAF | H11 | 118.1° | 55.0° |
| CG | CD1 | H12 | H13 | 112.4° | 120.0° |
| CD1 | CG | CB | H16 | 54.1° | 65.0° |
| CD1 | CG | CB | H17 | 66.3° | 55.0° |
| CD1 | CAF | CAG | H11 | 180.0° | 180.0° |
| CD1 | CAF | CAG | CAW | 177.5° | 180.0° |
| CD1 | CAF | CAG | H10 | 2.5° | 0.0° |
| CAF | CD1 | H12 | H13 | 112.4° | 120.0° |
| CAF | CD1 | CG | H14 | 103.2° | 55.0° |
| CAF | CAG | CAW | H10 | 180.0° | 180.0° |
| CAF | CAG | CAW | CAM | 177.9° | 180.0° |
| CAF | CAG | CAW | CAN | 2.1° | 0.3° |
| CAG | CAF | CD1 | H12 | 60.4° | 115.0° |
| CAG | CAF | CD1 | H13 | 175.8° | 5.0° |
| CAG | CAW | CAM | CAN | 179.9° | 179.7° |
| CAG | CAW | CAM | CAO | 179.9° | 180.0° |
| CAG | CAW | CAN | CAP | 179.8° | 180.0° |
| CAG | CAW | CAN | H7 | 0.2° | 0.0° |
| CAG | CAW | CAM | H9 | 0.1° | 0.0° |
| CAW | CAG | CAF | H11 | 2.5° | 0.0° |
| CAW | CAM | CAO | H9 | 180.0° | 180.0° |
| CAM | CAW | CAN | CAP | 0.1° | 0.3° |
| CAW | CAM | CAO | CAY | 0.0° | 0.0° |
| CAM | CAW | CAN | H7 | 179.9° | 179.7° |
| CAW | CAM | CAO | H8 | 180.0° | 180.0° |
| CAM | CAW | CAG | H10 | 2.1° | 0.0° |
| CAN | CAW | CAM | CAO | 0.0° | 0.3° |
| CAW | CAN | CAP | H7 | 180.0° | 180.0° |
| CAW | CAN | CAP | CAY | 0.2° | 0.0° |
| CAW | CAN | CAP | H6 | 179.8° | 179.9° |
| CAN | CAW | CAM | H9 | 180.0° | 179.7° |
| CAN | CAW | CAG | H10 | 177.9° | 179.7° |
| CAM | CAO | CAY | H8 | 180.0° | 180.0° |
| CAM | CAO | CAY | CAP | 0.1° | 0.2° |
| CAM | CAO | CAY | NAT | 180.0° | 180.0° |
| CAN | CAP | CAY | CAO | 0.2° | 0.2° |
| CAN | CAP | CAY | H6 | 180.0° | 180.0° |
| CAN | CAP | CAY | NAT | 179.9° | 180.0° |
| CAO | CAY | CAP | NAT | 180.0° | 179.8° |
| CAO | CAY | NAT | NAS | 179.7° | 0.3° |
| CAO | CAY | CAP | H6 | 179.9° | 179.8° |
| CAY | CAO | CAM | H9 | 180.0° | 180.0° |
| CAP | CAY | NAT | NAS | 0.3° | 180.0° |
| CAY | CAP | CAN | H7 | 179.8° | 180.0° |
| CAP | CAY | CAO | H8 | 180.0° | 179.7° |
| CAY | NAT | NAS | CAX | 179.8° | 180.0° |
| NAT | CAY | CAP | H6 | 0.1° | 0.0° |
| NAT | CAY | CAO | H8 | 0.0° | 0.0° |
| NAT | NAS | CAX | CAK | 0.3° | 180.0° |
| NAT | NAS | CAX | CAL | 179.9° | 0.0° |
| NAS | CAX | CAK | CAL | 179.6° | 180.0° |
| NAS | CAX | CAK | CAI | 179.5° | 180.0° |
| NAS | CAX | CAL | CAJ | 179.4° | 180.0° |
| NAS | CAX | CAK | H1 | 0.5° | 0.3° |
| NAS | CAX | CAL | H5 | 0.6° | 0.0° |
| CAX | CAK | CAI | H1 | 180.0° | 179.7° |
| CAX | CAK | CAI | CAH | 0.1° | 0.0° |
| CAK | CAX | CAL | CAJ | 1.0° | 0.0° |
| CAX | CAK | CAI | H2 | 180.0° | 180.0° |
| CAK | CAX | CAL | H5 | 179.0° | 179.9° |
| CAI | CAK | CAX | CAL | 0.9° | 0.1° |
| CAK | CAI | CAH | H2 | 180.0° | 179.9° |
| CAK | CAI | CAH | CAJ | 0.7° | 0.0° |
| CAK | CAI | CAH | H3 | 179.3° | 180.0° |
| CAX | CAL | CAJ | H5 | 180.0° | 179.9° |
| CAX | CAL | CAJ | CAH | 0.2° | 0.0° |
| CAL | CAX | CAK | H1 | 179.1° | 179.7° |
| CAX | CAL | CAJ | H4 | 179.8° | 180.0° |
| CAI | CAH | CAJ | CAL | 0.6° | 0.1° |
| CAI | CAH | CAJ | H3 | 180.0° | 179.9° |
| CAH | CAI | CAK | H1 | 179.9° | 179.7° |
| CAI | CAH | CAJ | H4 | 179.4° | 180.0° |
| CAL | CAJ | CAH | H4 | 180.0° | 180.0° |
| CAL | CAJ | CAH | H3 | 179.4° | 180.0° |
| CAJ | CAH | CAI | H2 | 179.3° | 179.9° |
| CAH | CAJ | CAL | H5 | 179.8° | 180.0° |
| H1 | CAK | CAI | H2 | 0.0° | 0.3° |
| H2 | CAI | CAH | H3 | 0.7° | 0.0° |
| H3 | CAH | CAJ | H4 | 0.6° | 0.0° |
| H4 | CAJ | CAL | H5 | 0.2° | 0.0° |
| H6 | CAP | CAN | H7 | 0.2° | 0.1° |
| H8 | CAO | CAM | H9 | 0.0° | 0.0° |
| H10 | CAG | CAF | H11 | 177.6° | 180.0° |
| H11 | CAF | CD1 | H12 | 119.6° | 65.0° |
| H11 | CAF | CD1 | H13 | 4.2° | 175.0° |
| H12 | CD1 | CG | H14 | 134.6° | 175.0° |
| H13 | CD1 | CG | H14 | 19.1° | 65.0° |
| H14 | CG | CB | H16 | 66.4° | 174.9° |
| H14 | CG | CB | H17 | 173.2° | 65.0° |
| H16 | CB | CA | H18 | 165.2° | 65.0° |
| H17 | CB | CA | H18 | 74.4° | 175.0° |
| H18 | CA | N | H20 | 60.8° | 180.0° |
| H18 | CA | N | H21 | 59.2° | 56.0° |
