YQP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | CAS | doub | 1.35Å | 1.41Å | |
| CAV | CAW | sing | 1.42Å | 1.44Å | |
| CAS | NAR | sing | 1.37Å | 1.41Å | |
| OAX | CAW | doub | 1.22Å | 1.41Å | |
| OAQ | CAN | sing | 1.43Å | 1.49Å | |
| CAW | NAU | sing | 1.35Å | 1.36Å | |
| NAR | CAM | sing | 1.47Å | 1.41Å | |
| NAR | CAT | sing | 1.35Å | 1.41Å | |
| CAM | CAN | sing | 1.55Å | 1.47Å | |
| CAM | OAL | sing | 1.44Å | 1.57Å | |
| CAN | CAO | sing | 1.54Å | 1.42Å | |
| NAU | CAT | sing | 1.35Å | 1.45Å | |
| OAL | CAK | sing | 1.44Å | 1.55Å | |
| CAT | OAY | doub | 1.22Å | 1.40Å | |
| CAK | CAO | sing | 1.54Å | 1.47Å | |
| CAK | CAH | sing | 1.53Å | 1.48Å | |
| CAO | OAP | sing | 1.43Å | 1.47Å | |
| CE | SD | doub | 1.55Å | 1.79Å | |
| CAH | SD | sing | 1.81Å | 1.84Å | |
| SD | CG | sing | 1.81Å | 1.82Å | |
| CG | CB | sing | 1.53Å | 1.58Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| OXT | C | doub | 1.21Å | 1.25Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | O | sing | 1.34Å | 1.26Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| O | H5 | sing | 0.97Å | 0.95Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| CE | H10 | sing | 1.08Å | 1.08Å | |
| CE | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| CAH | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| CAN | H17 | sing | 1.09Å | 1.10Å | |
| CAO | H18 | sing | 1.09Å | 1.10Å | |
| CAS | H19 | sing | 1.08Å | 1.08Å | |
| CAV | H20 | sing | 1.08Å | 1.08Å | |
| NAU | H21 | sing | 0.97Å | 1.00Å | |
| OAP | H22 | sing | 0.97Å | 0.95Å | |
| OAQ | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAS | CAV | CAW | 120.2° | 119.1° |
| CAV | CAS | NAR | 120.5° | 119.7° |
| CAV | CAS | H19 | 119.8° | 120.1° |
| CAS | CAV | H20 | 119.9° | 120.4° |
| CAV | CAW | OAX | 119.5° | 120.3° |
| CAV | CAW | NAU | 119.8° | 119.4° |
| CAW | CAV | H20 | 119.9° | 120.4° |
| CAS | NAR | CAM | 117.8° | 119.6° |
| CAS | NAR | CAT | 119.2° | 120.6° |
| NAR | CAS | H19 | 119.7° | 120.2° |
| OAX | CAW | NAU | 120.6° | 120.3° |
| OAQ | CAN | CAM | 108.9° | 110.5° |
| OAQ | CAN | CAO | 109.2° | 110.5° |
| OAQ | CAN | H17 | 109.8° | 110.6° |
| CAN | OAQ | H23 | 109.5° | 114.0° |
| CAW | NAU | CAT | 120.4° | 120.3° |
| CAW | NAU | H21 | 119.8° | 119.8° |
| CAM | NAR | CAT | 123.0° | 119.7° |
| NAR | CAM | CAN | 112.8° | 110.4° |
| NAR | CAM | OAL | 111.2° | 110.4° |
| NAR | CAM | H16 | 108.9° | 110.4° |
| NAR | CAT | NAU | 119.8° | 120.9° |
| NAR | CAT | OAY | 121.6° | 119.5° |
| CAN | CAM | OAL | 108.6° | 104.8° |
| CAM | CAN | CAO | 107.9° | 104.0° |
| CAN | CAM | H16 | 108.2° | 110.4° |
| CAM | CAN | H17 | 110.2° | 110.5° |
| CAM | OAL | CAK | 98.3° | 105.3° |
| OAL | CAM | H16 | 107.0° | 110.4° |
| CAN | CAO | CAK | 105.3° | 104.1° |
| CAN | CAO | OAP | 110.1° | 110.5° |
| CAO | CAN | H17 | 110.8° | 110.5° |
| CAN | CAO | H18 | 110.8° | 110.5° |
| NAU | CAT | OAY | 118.6° | 119.5° |
| CAT | NAU | H21 | 119.8° | 119.9° |
| OAL | CAK | CAO | 106.2° | 104.8° |
| OAL | CAK | CAH | 110.9° | 110.4° |
| OAL | CAK | H15 | 109.1° | 110.4° |
| CAO | CAK | CAH | 110.1° | 110.4° |
| CAK | CAO | OAP | 110.4° | 110.5° |
| CAO | CAK | H15 | 110.3° | 110.4° |
| CAK | CAO | H18 | 110.1° | 110.5° |
| CAK | CAH | SD | 109.3° | 109.5° |
| CAK | CAH | H13 | 109.5° | 109.4° |
| CAK | CAH | H14 | 109.5° | 109.5° |
| CAH | CAK | H15 | 110.1° | 110.3° |
| OAP | CAO | H18 | 110.1° | 110.5° |
| CAO | OAP | H22 | 109.5° | 114.0° |
| CE | SD | CAH | 109.4° | 102.9° |
| CE | SD | CG | 109.1° | 103.0° |
| SD | CE | H10 | 120.0° | 120.0° |
| SD | CE | H11 | 120.0° | 120.0° |
| CAH | SD | CG | 109.6° | 103.0° |
| SD | CAH | H13 | 109.5° | 109.4° |
| SD | CAH | H14 | 109.5° | 109.5° |
| SD | CG | CB | 108.4° | 109.5° |
| SD | CG | H8 | 109.8° | 109.4° |
| SD | CG | H9 | 109.7° | 109.5° |
| CG | CB | CA | 110.1° | 109.5° |
| CG | CB | H6 | 109.3° | 109.5° |
| CG | CB | H7 | 109.3° | 109.5° |
| CB | CG | H8 | 109.7° | 109.5° |
| CB | CG | H9 | 109.8° | 109.5° |
| CB | CA | N | 110.5° | 109.5° |
| CB | CA | C | 110.0° | 109.5° |
| CB | CA | H4 | 108.1° | 109.5° |
| CA | CB | H6 | 109.3° | 109.5° |
| CA | CB | H7 | 109.3° | 109.4° |
| OXT | C | CA | 119.9° | 120.0° |
| OXT | C | O | 120.0° | 120.0° |
| N | CA | C | 110.3° | 109.4° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 110.9° |
| N | CA | H4 | 109.4° | 109.5° |
| CA | C | O | 120.1° | 120.0° |
| C | CA | H4 | 108.5° | 109.4° |
| C | O | H5 | 109.5° | 117.0° |
| H1 | N | H2 | 109.4° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CG | H9 | 109.4° | 109.4° |
| H10 | CE | H11 | 120.0° | 120.0° |
| H13 | CAH | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAS | CAV | CAW | H20 | 180.0° | 180.0° |
| CAV | CAS | NAR | H19 | 180.0° | 179.7° |
| CAS | CAV | CAW | OAX | 180.0° | 180.0° |
| CAS | CAV | CAW | NAU | 0.1° | 0.0° |
| CAV | CAS | NAR | CAM | 180.0° | 179.7° |
| CAV | CAS | NAR | CAT | 0.1° | 0.3° |
| CAW | CAV | CAS | NAR | 0.0° | 0.0° |
| CAV | CAW | OAX | NAU | 180.0° | 180.0° |
| CAV | CAW | NAU | CAT | 0.0° | 0.3° |
| CAW | CAV | CAS | H19 | 180.0° | 179.7° |
| CAV | CAW | NAU | H21 | 180.0° | 180.0° |
| CAS | NAR | CAM | CAT | 179.8° | 180.0° |
| CAS | NAR | CAM | CAN | 126.5° | 115.0° |
| CAS | NAR | CAM | OAL | 111.3° | 129.7° |
| CAS | NAR | CAT | NAU | 0.2° | 0.6° |
| CAS | NAR | CAT | OAY | 179.9° | 180.0° |
| CAS | NAR | CAM | H16 | 6.4° | 7.3° |
| NAR | CAS | CAV | H20 | 180.0° | 180.0° |
| OAX | CAW | NAU | CAT | 179.9° | 179.7° |
| OAX | CAW | CAV | H20 | 0.0° | 0.0° |
| OAX | CAW | NAU | H21 | 0.1° | 0.0° |
| OAQ | CAN | CAM | NAR | 125.4° | 98.6° |
| OAQ | CAN | CAM | CAO | 118.4° | 118.6° |
| OAQ | CAN | CAM | H17 | 120.5° | 122.8° |
| OAQ | CAN | CAM | OAL | 110.9° | 142.6° |
| OAQ | CAN | CAO | H17 | 121.1° | 122.7° |
| OAQ | CAN | CAO | CAK | 90.0° | 118.6° |
| OAQ | CAN | CAO | OAP | 28.9° | 0.1° |
| OAQ | CAN | CAM | H16 | 4.9° | 23.8° |
| OAQ | CAN | CAO | H18 | 150.9° | 122.7° |
| CAW | NAU | CAT | NAR | 0.2° | 0.6° |
| CAW | NAU | CAT | H21 | 180.0° | 179.7° |
| CAW | NAU | CAT | OAY | 180.0° | 180.0° |
| NAU | CAW | CAV | H20 | 180.0° | 180.0° |
| NAR | CAM | CAN | OAL | 123.7° | 118.8° |
| NAR | CAM | CAN | H16 | 120.5° | 122.4° |
| NAR | CAM | OAL | H16 | 118.8° | 122.3° |
| NAR | CAM | CAN | CAO | 116.2° | 142.8° |
| CAM | NAR | CAT | NAU | 180.0° | 179.4° |
| NAR | CAM | OAL | CAK | 139.3° | 159.3° |
| CAM | NAR | CAT | OAY | 0.1° | 0.1° |
| NAR | CAM | CAN | H17 | 4.9° | 24.1° |
| CAM | NAR | CAS | H19 | 0.0° | 0.0° |
| CAT | NAR | CAM | CAN | 53.7° | 65.0° |
| CAT | NAR | CAM | OAL | 68.5° | 50.4° |
| NAR | CAT | NAU | OAY | 179.9° | 179.4° |
| CAT | NAR | CAM | H16 | 173.8° | 172.7° |
| CAT | NAR | CAS | H19 | 179.9° | 180.0° |
| NAR | CAT | NAU | H21 | 179.8° | 179.7° |
| CAN | CAM | OAL | H16 | 116.6° | 118.9° |
| CAM | CAN | CAO | H17 | 120.7° | 118.7° |
| CAN | CAM | OAL | CAK | 14.7° | 40.5° |
| CAM | CAN | CAO | CAK | 28.2° | 0.0° |
| CAM | CAN | CAO | OAP | 147.2° | 118.7° |
| CAM | CAN | CAO | H18 | 90.8° | 118.7° |
| CAM | CAN | OAQ | H23 | 180.0° | 180.0° |
| OAL | CAM | CAN | CAO | 7.4° | 24.0° |
| CAM | OAL | CAK | CAO | 31.6° | 40.5° |
| CAM | OAL | CAK | CAH | 151.2° | 159.4° |
| CAM | OAL | CAK | H15 | 87.3° | 78.4° |
| OAL | CAM | CAN | H17 | 128.6° | 94.7° |
| CAN | CAO | CAK | OAL | 38.6° | 24.0° |
| CAN | CAO | CAK | OAP | 118.8° | 118.7° |
| CAN | CAO | CAK | H18 | 119.5° | 118.7° |
| CAN | CAO | CAK | CAH | 158.8° | 142.8° |
| CAN | CAO | OAP | H18 | 122.4° | 122.7° |
| CAN | CAO | CAK | H15 | 79.5° | 94.9° |
| CAO | CAN | CAM | H16 | 123.2° | 94.8° |
| CAN | CAO | OAP | H22 | 180.0° | 65.3° |
| CAO | CAN | OAQ | H23 | 62.4° | 65.4° |
| OAL | CAK | CAO | CAH | 120.2° | 118.8° |
| OAL | CAK | CAO | H15 | 118.1° | 118.9° |
| OAL | CAK | CAH | H15 | 120.9° | 122.3° |
| OAL | CAK | CAO | OAP | 157.4° | 142.7° |
| OAL | CAK | CAH | SD | 9.4° | 69.6° |
| OAL | CAK | CAH | H13 | 129.4° | 50.4° |
| OAL | CAK | CAH | H14 | 110.6° | 170.4° |
| CAK | OAL | CAM | H16 | 101.8° | 78.3° |
| OAL | CAK | CAO | H18 | 80.9° | 94.7° |
| OAY | CAT | NAU | H21 | 0.0° | 0.3° |
| CAO | CAK | CAH | H15 | 121.9° | 122.3° |
| CAK | CAO | OAP | H18 | 121.8° | 122.6° |
| CAO | CAK | CAH | SD | 126.7° | 175.1° |
| CAO | CAK | CAH | H13 | 113.3° | 65.0° |
| CAO | CAK | CAH | H14 | 6.7° | 55.0° |
| CAK | CAO | CAN | H17 | 148.9° | 118.7° |
| CAK | CAO | OAP | H22 | 64.2° | 180.0° |
| CAH | CAK | CAO | OAP | 82.5° | 98.5° |
| CAK | CAH | SD | CE | 66.2° | 73.2° |
| CAK | CAH | SD | H13 | 120.0° | 120.0° |
| CAK | CAH | SD | H14 | 120.0° | 120.0° |
| CAK | CAH | SD | CG | 174.2° | 180.0° |
| CAK | CAH | H13 | H14 | 120.1° | 120.0° |
| CAH | CAK | CAO | H18 | 39.3° | 24.1° |
| OAP | CAO | CAK | H15 | 39.2° | 23.8° |
| OAP | CAO | CAN | H17 | 92.1° | 122.7° |
| CE | SD | CAH | CG | 119.6° | 106.8° |
| CE | SD | CG | CB | 145.5° | 73.1° |
| CE | SD | CG | H8 | 25.7° | 166.8° |
| CE | SD | CG | H9 | 94.6° | 46.9° |
| SD | CE | H10 | H11 | 180.0° | 179.9° |
| CE | SD | CAH | H13 | 53.8° | 166.9° |
| CE | SD | CAH | H14 | 173.8° | 46.9° |
| CAH | SD | CG | CB | 94.7° | 180.0° |
| CAH | SD | CG | H8 | 145.5° | 60.0° |
| CAH | SD | CG | H9 | 25.2° | 59.9° |
| CAH | SD | CE | H10 | 119.9° | 73.2° |
| CAH | SD | CE | H11 | 60.1° | 106.9° |
| SD | CAH | H13 | H14 | 120.1° | 120.0° |
| SD | CAH | CAK | H15 | 111.5° | 52.8° |
| SD | CG | CB | H8 | 119.9° | 120.0° |
| SD | CG | CB | H9 | 119.8° | 120.1° |
| SD | CG | CB | CA | 154.3° | 180.0° |
| SD | CG | CB | H6 | 85.6° | 60.0° |
| SD | CG | CB | H7 | 34.2° | 60.0° |
| SD | CG | H8 | H9 | 120.5° | 119.9° |
| CG | SD | CE | H10 | 0.0° | 179.9° |
| CG | SD | CE | H11 | 180.0° | 0.0° |
| CG | SD | CAH | H13 | 65.8° | 60.1° |
| CG | SD | CAH | H14 | 54.2° | 60.0° |
| CG | CB | CA | H6 | 120.1° | 120.0° |
| CG | CB | CA | H7 | 120.1° | 120.0° |
| CG | CB | CA | N | 15.5° | 65.0° |
| CG | CB | CA | C | 137.6° | 175.0° |
| CG | CB | CA | H4 | 104.1° | 55.0° |
| CG | CB | H6 | H7 | 119.7° | 120.0° |
| CB | CG | H8 | H9 | 120.5° | 120.0° |
| CB | CA | C | OXT | 91.7° | 99.9° |
| CB | CA | N | C | 121.9° | 120.0° |
| CB | CA | N | H4 | 118.9° | 120.0° |
| CB | CA | C | H4 | 118.1° | 120.0° |
| CB | CA | C | O | 87.9° | 80.0° |
| CB | CA | N | H1 | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CA | CB | H6 | H7 | 119.7° | 120.0° |
| CA | CB | CG | H8 | 34.4° | 60.0° |
| CA | CB | CG | H9 | 85.9° | 60.0° |
| OXT | C | CA | N | 30.5° | 20.1° |
| OXT | C | CA | O | 179.6° | 179.9° |
| OXT | C | CA | H4 | 150.2° | 140.1° |
| OXT | C | O | H5 | 0.0° | 0.0° |
| N | CA | C | H4 | 119.8° | 120.0° |
| N | CA | C | O | 149.9° | 160.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H6 | 135.6° | 55.0° |
| N | CA | CB | H7 | 104.6° | 175.0° |
| C | CA | N | H1 | 58.1° | 60.1° |
| C | CA | N | H2 | 61.9° | 176.0° |
| CA | C | O | H5 | 179.6° | 179.9° |
| C | CA | CB | H6 | 102.3° | 65.0° |
| C | CA | CB | H7 | 17.5° | 55.0° |
| O | C | CA | H4 | 30.1° | 40.0° |
| H1 | N | CA | H4 | 61.1° | 180.0° |
| H2 | N | CA | H4 | 178.9° | 56.1° |
| H4 | CA | CB | H6 | 15.9° | 175.0° |
| H4 | CA | CB | H7 | 135.8° | 65.0° |
| H6 | CB | CG | H8 | 154.5° | 180.0° |
| H6 | CB | CG | H9 | 34.2° | 60.0° |
| H7 | CB | CG | H8 | 85.7° | 60.0° |
| H7 | CB | CG | H9 | 154.0° | 180.0° |
| H13 | CAH | CAK | H15 | 8.5° | 172.7° |
| H14 | CAH | CAK | H15 | 128.6° | 67.3° |
| H15 | CAK | CAO | H18 | 161.0° | 146.4° |
| H16 | CAM | CAN | H17 | 115.6° | 146.5° |
| H17 | CAN | CAO | H18 | 29.9° | 0.0° |
| H17 | CAN | OAQ | H23 | 59.3° | 57.2° |
| H18 | CAO | OAP | H22 | 57.6° | 57.4° |
| H19 | CAS | CAV | H20 | 0.0° | 0.3° |
