1JP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | CB | sing | 1.53Å | 1.50Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| CB | CG | sing | 1.53Å | 1.49Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CG | CD | sing | 1.51Å | 1.50Å | |
| CD | OE1 | doub | 1.21Å | 1.23Å | |
| CD | NE2 | sing | 1.35Å | 1.43Å | |
| NE2 | CBE | sing | 1.47Å | 1.43Å | |
| OAB | CAX | doub | 1.21Å | 1.26Å | |
| OAE | CBA | doub | 1.21Å | 1.22Å | |
| CBE | CBA | sing | 1.51Å | 1.48Å | |
| CBE | CAT | sing | 1.53Å | 1.49Å | |
| CBA | NAU | sing | 1.35Å | 1.44Å | |
| CAX | CAO | sing | 1.48Å | 1.49Å | |
| CAX | OAF | sing | 1.35Å | 1.26Å | |
| NAU | CAO | doub | 1.30Å | 1.43Å | |
| CAT | S1 | sing | 1.81Å | 1.77Å | |
| S1 | CAS | sing | 1.81Å | 1.76Å | |
| OAH | CBD | sing | 1.43Å | 1.38Å | |
| CAL | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CBB | sing | 1.38Å | 1.38Å | Aromatic |
| CAP | CBB | sing | 1.51Å | 1.49Å | |
| CAP | CAR | sing | 1.53Å | 1.49Å | |
| CAS | CBD | sing | 1.53Å | 1.48Å | |
| CAJ | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CBB | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CBD | CAR | sing | 1.53Å | 1.49Å | |
| CAI | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| 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 | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| NE2 | H10 | sing | 0.97Å | 1.00Å | |
| CBE | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.08Å | 1.08Å | |
| OAF | H13 | sing | 0.97Å | 0.95Å | |
| CAT | H14 | sing | 1.09Å | 1.10Å | |
| CAT | H15 | sing | 1.09Å | 1.10Å | |
| CAS | H16 | sing | 1.09Å | 1.10Å | |
| CAS | H17 | sing | 1.09Å | 1.10Å | |
| CBD | H18 | sing | 1.09Å | 1.10Å | |
| OAH | H19 | sing | 0.97Å | 0.95Å | |
| CAR | H20 | sing | 1.09Å | 1.10Å | |
| CAR | H21 | sing | 1.09Å | 1.10Å | |
| CAP | H22 | sing | 1.09Å | 1.10Å | |
| CAP | H23 | sing | 1.09Å | 1.10Å | |
| CAL | H24 | sing | 1.08Å | 1.08Å | |
| CAJ | H25 | sing | 1.08Å | 1.08Å | |
| CAI | H26 | sing | 1.08Å | 1.08Å | |
| CAK | H27 | sing | 1.08Å | 1.08Å | |
| CAM | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 106.6° | 109.4° |
| N | CA | C | 107.5° | 109.4° |
| N | CA | H2 | 110.2° | 109.4° |
| CA | N | H3 | 109.5° | 111.0° |
| CA | N | H4 | 109.5° | 111.0° |
| CB | CA | C | 113.7° | 109.5° |
| CA | CB | CG | 120.5° | 109.5° |
| CB | CA | H2 | 109.4° | 109.5° |
| CA | CB | H6 | 106.6° | 109.4° |
| CA | CB | H7 | 106.7° | 109.5° |
| CA | C | O | 118.6° | 120.1° |
| CA | C | OXT | 120.7° | 119.9° |
| C | CA | H2 | 109.4° | 109.5° |
| O | C | OXT | 120.7° | 120.0° |
| CB | CG | CD | 113.3° | 109.5° |
| CG | CB | H6 | 106.7° | 109.5° |
| CG | CB | H7 | 106.6° | 109.5° |
| CB | CG | H8 | 108.5° | 109.5° |
| CB | CG | H9 | 108.5° | 109.5° |
| C | OXT | H1 | 109.5° | 117.0° |
| CG | CD | OE1 | 117.8° | 119.9° |
| CG | CD | NE2 | 121.6° | 120.0° |
| CD | CG | H8 | 108.5° | 109.5° |
| CD | CG | H9 | 108.5° | 109.5° |
| OE1 | CD | NE2 | 120.5° | 120.0° |
| CD | NE2 | CBE | 118.3° | 120.0° |
| CD | NE2 | H10 | 120.9° | 120.0° |
| NE2 | CBE | CBA | 106.4° | 109.5° |
| NE2 | CBE | CAT | 114.1° | 109.5° |
| CBE | NE2 | H10 | 120.9° | 120.0° |
| NE2 | CBE | H11 | 110.5° | 109.5° |
| OAB | CAX | CAO | 119.3° | 120.0° |
| OAB | CAX | OAF | 120.0° | 120.0° |
| OAE | CBA | CBE | 117.4° | 120.0° |
| OAE | CBA | NAU | 123.4° | 120.0° |
| CBA | CBE | CAT | 106.1° | 109.4° |
| CBE | CBA | NAU | 119.2° | 120.0° |
| CBA | CBE | H11 | 109.9° | 109.4° |
| CBE | CAT | S1 | 120.5° | 109.5° |
| CAT | CBE | H11 | 109.7° | 109.5° |
| CBE | CAT | H14 | 106.7° | 109.5° |
| CBE | CAT | H15 | 106.7° | 109.5° |
| CBA | NAU | CAO | 124.3° | 120.0° |
| CAO | CAX | OAF | 120.8° | 120.0° |
| CAX | CAO | NAU | 120.8° | 120.0° |
| CAX | CAO | H12 | 119.6° | 120.0° |
| CAX | OAF | H13 | 109.5° | 117.0° |
| NAU | CAO | H12 | 119.6° | 120.0° |
| CAT | S1 | CAS | 108.5° | 103.0° |
| S1 | CAT | H14 | 106.7° | 109.5° |
| S1 | CAT | H15 | 106.7° | 109.5° |
| S1 | CAS | CBD | 115.5° | 109.5° |
| S1 | CAS | H16 | 107.9° | 109.5° |
| S1 | CAS | H17 | 107.9° | 109.5° |
| OAH | CBD | CAS | 108.0° | 109.5° |
| OAH | CBD | CAR | 109.0° | 109.4° |
| OAH | CBD | H18 | 111.3° | 109.5° |
| CBD | OAH | H19 | 109.5° | 114.0° |
| CAJ | CAL | CBB | 119.5° | 120.0° |
| CAL | CAJ | CAI | 120.3° | 120.0° |
| CAJ | CAL | H24 | 120.3° | 120.0° |
| CAL | CAJ | H25 | 119.8° | 120.0° |
| CAL | CBB | CAP | 120.5° | 120.1° |
| CAL | CBB | CAM | 120.5° | 120.0° |
| CBB | CAL | H24 | 120.3° | 119.9° |
| CBB | CAP | CAR | 117.2° | 109.5° |
| CAP | CBB | CAM | 119.0° | 120.0° |
| CBB | CAP | H22 | 107.5° | 109.5° |
| CBB | CAP | H23 | 107.5° | 109.5° |
| CAP | CAR | CBD | 118.1° | 109.5° |
| CAP | CAR | H20 | 107.3° | 109.5° |
| CAP | CAR | H21 | 107.3° | 109.4° |
| CAR | CAP | H22 | 107.5° | 109.5° |
| CAR | CAP | H23 | 107.5° | 109.4° |
| CAS | CBD | CAR | 109.1° | 109.5° |
| CBD | CAS | H16 | 108.0° | 109.5° |
| CBD | CAS | H17 | 108.0° | 109.4° |
| CAS | CBD | H18 | 109.8° | 109.5° |
| CAJ | CAI | CAK | 119.9° | 120.0° |
| CAI | CAJ | H25 | 119.9° | 120.0° |
| CAJ | CAI | H26 | 120.0° | 120.0° |
| CBB | CAM | CAK | 120.0° | 120.0° |
| CBB | CAM | H28 | 119.9° | 120.0° |
| CAR | CBD | H18 | 109.7° | 109.5° |
| CBD | CAR | H20 | 107.3° | 109.5° |
| CBD | CAR | H21 | 107.3° | 109.5° |
| CAI | CAK | CAM | 119.8° | 120.0° |
| CAK | CAI | H26 | 120.0° | 120.0° |
| CAI | CAK | H27 | 120.1° | 120.0° |
| CAM | CAK | H27 | 120.1° | 120.0° |
| CAK | CAM | H28 | 120.0° | 120.0° |
| H3 | N | H4 | 109.5° | 110.9° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CG | H9 | 109.5° | 109.4° |
| H14 | CAT | H15 | 109.4° | 109.5° |
| H16 | CAS | H17 | 109.5° | 109.5° |
| H20 | CAR | H21 | 109.5° | 109.5° |
| H22 | CAP | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 118.3° | 120.0° |
| N | CA | CB | H2 | 119.1° | 119.9° |
| N | CA | C | H2 | 119.6° | 120.0° |
| N | CA | C | O | 28.3° | 20.0° |
| N | CA | CB | CG | 175.8° | 65.0° |
| N | CA | C | OXT | 149.7° | 160.3° |
| CA | N | H3 | H4 | 120.0° | 124.0° |
| N | CA | CB | H6 | 54.2° | 175.0° |
| N | CA | CB | H7 | 62.7° | 55.0° |
| CB | CA | C | H2 | 122.6° | 120.1° |
| CB | CA | C | O | 146.1° | 99.9° |
| CA | CB | CG | H6 | 121.5° | 119.9° |
| CA | CB | CG | H7 | 121.6° | 120.0° |
| CB | CA | C | OXT | 32.0° | 79.8° |
| CA | CB | CG | CD | 115.5° | 180.0° |
| CB | CA | N | H3 | 180.0° | 63.9° |
| CB | CA | N | H4 | 60.0° | 60.0° |
| CA | CB | H6 | H7 | 115.0° | 120.0° |
| CA | CB | CG | H8 | 123.9° | 60.0° |
| CA | CB | CG | H9 | 5.1° | 60.0° |
| CA | C | O | OXT | 178.0° | 179.7° |
| C | CA | CB | CG | 57.5° | 175.0° |
| CA | C | OXT | H1 | 178.0° | 179.7° |
| C | CA | N | H3 | 57.8° | 176.1° |
| C | CA | N | H4 | 177.8° | 60.0° |
| C | CA | CB | H6 | 64.0° | 55.1° |
| C | CA | CB | H7 | 179.1° | 64.9° |
| O | C | OXT | H1 | 0.0° | 0.0° |
| O | C | CA | H2 | 91.3° | 140.0° |
| CB | CG | CD | H8 | 120.6° | 120.0° |
| CB | CG | CD | H9 | 120.6° | 120.0° |
| CB | CG | CD | OE1 | 24.9° | 0.0° |
| CB | CG | CD | NE2 | 154.8° | 180.0° |
| CG | CB | CA | H2 | 65.1° | 54.9° |
| CG | CB | H6 | H7 | 115.0° | 120.0° |
| CB | CG | H8 | H9 | 118.2° | 120.0° |
| OXT | C | CA | H2 | 90.7° | 40.3° |
| CG | CD | OE1 | NE2 | 179.6° | 180.0° |
| CG | CD | NE2 | CBE | 178.8° | 180.0° |
| CD | CG | CB | H6 | 6.0° | 60.0° |
| CD | CG | CB | H7 | 122.9° | 60.0° |
| CD | CG | H8 | H9 | 118.3° | 120.0° |
| CG | CD | NE2 | H10 | 1.2° | 0.0° |
| OE1 | CD | NE2 | CBE | 0.8° | 0.0° |
| OE1 | CD | CG | H8 | 95.7° | 120.0° |
| OE1 | CD | CG | H9 | 145.4° | 120.0° |
| OE1 | CD | NE2 | H10 | 179.1° | 180.0° |
| CD | NE2 | CBE | H10 | 180.0° | 180.0° |
| CD | NE2 | CBE | CBA | 65.1° | 85.0° |
| CD | NE2 | CBE | CAT | 178.3° | 155.0° |
| NE2 | CD | CG | H8 | 84.7° | 60.0° |
| NE2 | CD | CG | H9 | 34.2° | 60.0° |
| CD | NE2 | CBE | H11 | 54.1° | 34.9° |
| NE2 | CBE | CBA | OAE | 41.7° | 0.0° |
| NE2 | CBE | CBA | CAT | 121.8° | 120.0° |
| NE2 | CBE | CBA | H11 | 119.7° | 120.0° |
| NE2 | CBE | CAT | H11 | 124.6° | 120.1° |
| NE2 | CBE | CBA | NAU | 137.1° | 180.0° |
| NE2 | CBE | CAT | S1 | 64.0° | 60.0° |
| NE2 | CBE | CAT | H14 | 57.6° | 59.9° |
| NE2 | CBE | CAT | H15 | 174.4° | 180.0° |
| OAB | CAX | CAO | OAF | 178.6° | 179.9° |
| OAB | CAX | CAO | NAU | 49.5° | 6.3° |
| OAB | CAX | CAO | H12 | 130.5° | 173.8° |
| OAB | CAX | OAF | H13 | 0.0° | 0.1° |
| OAE | CBA | CBE | NAU | 178.9° | 180.0° |
| OAE | CBA | CBE | CAT | 80.1° | 120.0° |
| OAE | CBA | NAU | CAO | 1.0° | 53.4° |
| OAE | CBA | CBE | H11 | 161.4° | 120.0° |
| CBA | CBE | CAT | H11 | 118.6° | 120.0° |
| CBE | CBA | NAU | CAO | 179.7° | 126.6° |
| CBA | CBE | CAT | S1 | 179.2° | 180.0° |
| CBA | CBE | NE2 | H10 | 114.9° | 95.0° |
| CBA | CBE | CAT | H14 | 59.2° | 60.0° |
| CBA | CBE | CAT | H15 | 57.7° | 60.0° |
| CAT | CBE | CBA | NAU | 101.0° | 60.0° |
| CBE | CAT | S1 | H14 | 121.6° | 120.0° |
| CBE | CAT | S1 | H15 | 121.6° | 120.0° |
| CBE | CAT | S1 | CAS | 144.5° | 180.0° |
| CAT | CBE | NE2 | H10 | 1.7° | 24.9° |
| CBE | CAT | H14 | H15 | 115.0° | 120.0° |
| CBA | NAU | CAO | CAX | 6.5° | 7.9° |
| NAU | CBA | CBE | H11 | 17.5° | 60.0° |
| CBA | NAU | CAO | H12 | 173.5° | 172.0° |
| CAX | CAO | NAU | H12 | 180.0° | 179.9° |
| CAO | CAX | OAF | H13 | 178.6° | 180.0° |
| OAF | CAX | CAO | NAU | 129.1° | 173.8° |
| OAF | CAX | CAO | H12 | 50.8° | 6.1° |
| CAT | S1 | CAS | CBD | 133.0° | 180.0° |
| S1 | CAT | CBE | H11 | 60.6° | 60.0° |
| S1 | CAT | H14 | H15 | 115.0° | 120.0° |
| CAT | S1 | CAS | H16 | 106.1° | 60.0° |
| CAT | S1 | CAS | H17 | 12.1° | 60.0° |
| S1 | CAS | CBD | OAH | 31.5° | 60.0° |
| S1 | CAS | CBD | H16 | 120.9° | 120.0° |
| S1 | CAS | CBD | H17 | 120.9° | 120.0° |
| S1 | CAS | CBD | CAR | 86.8° | 180.0° |
| CAS | S1 | CAT | H14 | 93.9° | 60.0° |
| CAS | S1 | CAT | H15 | 22.9° | 60.0° |
| S1 | CAS | H16 | H17 | 117.2° | 120.0° |
| S1 | CAS | CBD | H18 | 153.0° | 60.0° |
| OAH | CBD | CAR | CAP | 10.1° | 65.0° |
| OAH | CBD | CAS | CAR | 118.3° | 120.0° |
| OAH | CBD | CAS | H18 | 121.5° | 120.0° |
| OAH | CBD | CAR | H18 | 122.0° | 120.0° |
| OAH | CBD | CAS | H16 | 89.4° | 180.0° |
| OAH | CBD | CAS | H17 | 152.3° | 60.0° |
| OAH | CBD | CAR | H20 | 131.3° | 175.0° |
| OAH | CBD | CAR | H21 | 111.1° | 55.0° |
| CAJ | CAL | CBB | H24 | 180.0° | 179.9° |
| CAJ | CAL | CBB | CAP | 180.0° | 180.0° |
| CAL | CAJ | CAI | H25 | 180.0° | 180.0° |
| CAJ | CAL | CBB | CAM | 0.4° | 0.3° |
| CAL | CAJ | CAI | CAK | 0.1° | 0.0° |
| CAL | CAJ | CAI | H26 | 179.9° | 179.9° |
| CAL | CBB | CAP | CAM | 179.7° | 179.7° |
| CAL | CBB | CAP | CAR | 175.3° | 89.7° |
| CBB | CAL | CAJ | CAI | 0.2° | 0.1° |
| CAL | CBB | CAM | CAK | 0.5° | 0.5° |
| CAL | CBB | CAP | H22 | 54.2° | 150.3° |
| CAL | CBB | CAP | H23 | 63.6° | 30.3° |
| CBB | CAL | CAJ | H25 | 179.9° | 180.0° |
| CAL | CBB | CAM | H28 | 179.5° | 179.7° |
| CBB | CAP | CAR | H22 | 121.1° | 120.1° |
| CBB | CAP | CAR | H23 | 121.1° | 120.0° |
| CBB | CAP | CAR | CBD | 111.4° | 180.0° |
| CAP | CBB | CAM | CAK | 179.8° | 179.8° |
| CBB | CAP | CAR | H20 | 127.3° | 60.0° |
| CBB | CAP | CAR | H21 | 9.7° | 60.0° |
| CBB | CAP | H22 | H23 | 116.5° | 120.0° |
| CAP | CBB | CAL | H24 | 0.1° | 0.1° |
| CAP | CBB | CAM | H28 | 0.2° | 0.0° |
| CAP | CAR | CBD | CAS | 107.6° | 175.0° |
| CAR | CAP | CBB | CAM | 5.0° | 90.0° |
| CAP | CAR | CBD | H20 | 121.2° | 120.0° |
| CAP | CAR | CBD | H21 | 121.2° | 120.0° |
| CAP | CAR | CBD | H18 | 132.1° | 55.0° |
| CAP | CAR | H20 | H21 | 116.1° | 120.0° |
| CAR | CAP | H22 | H23 | 116.5° | 120.0° |
| CAS | CBD | CAR | H18 | 120.2° | 120.0° |
| CBD | CAS | H16 | H17 | 117.3° | 120.0° |
| CAS | CBD | OAH | H19 | 180.0° | 59.9° |
| CAS | CBD | CAR | H20 | 13.6° | 55.0° |
| CAS | CBD | CAR | H21 | 131.2° | 65.0° |
| CAJ | CAI | CAK | H26 | 180.0° | 179.9° |
| CAJ | CAI | CAK | CAM | 0.2° | 0.2° |
| CAI | CAJ | CAL | H24 | 179.8° | 180.0° |
| CAJ | CAI | CAK | H27 | 179.8° | 179.9° |
| CBB | CAM | CAK | CAI | 0.4° | 0.4° |
| CBB | CAM | CAK | H28 | 180.0° | 179.8° |
| CAM | CBB | CAP | H22 | 126.2° | 30.0° |
| CAM | CBB | CAP | H23 | 116.1° | 150.0° |
| CAM | CBB | CAL | H24 | 179.6° | 179.8° |
| CBB | CAM | CAK | H27 | 179.6° | 179.7° |
| CAR | CBD | CAS | H16 | 152.3° | 60.0° |
| CAR | CBD | CAS | H17 | 34.0° | 60.0° |
| CAR | CBD | OAH | H19 | 61.6° | 60.0° |
| CBD | CAR | H20 | H21 | 116.1° | 120.0° |
| CBD | CAR | CAP | H22 | 9.7° | 60.0° |
| CBD | CAR | CAP | H23 | 127.4° | 60.0° |
| CAI | CAK | CAM | H27 | 180.0° | 179.9° |
| CAK | CAI | CAJ | H25 | 179.9° | 180.0° |
| CAI | CAK | CAM | H28 | 179.6° | 179.8° |
| CAM | CAK | CAI | H26 | 179.8° | 179.9° |
| H2 | CA | N | H3 | 61.4° | 56.0° |
| H2 | CA | N | H4 | 58.6° | 180.0° |
| H2 | CA | CB | H6 | 173.3° | 65.0° |
| H2 | CA | CB | H7 | 56.4° | 175.0° |
| H6 | CB | CG | H8 | 114.6° | 179.9° |
| H6 | CB | CG | H9 | 126.6° | 60.0° |
| H7 | CB | CG | H8 | 2.3° | 60.0° |
| H7 | CB | CG | H9 | 116.5° | 180.0° |
| H10 | NE2 | CBE | H11 | 125.8° | 145.0° |
| H11 | CBE | CAT | H14 | 177.8° | 180.0° |
| H11 | CBE | CAT | H15 | 61.0° | 60.0° |
| H16 | CAS | CBD | H18 | 32.2° | 60.0° |
| H17 | CAS | CBD | H18 | 86.1° | 180.0° |
| H18 | CBD | OAH | H19 | 59.4° | 180.0° |
| H18 | CBD | CAR | H20 | 106.7° | 65.0° |
| H18 | CBD | CAR | H21 | 10.9° | 175.0° |
| H20 | CAR | CAP | H22 | 111.5° | 180.0° |
| H20 | CAR | CAP | H23 | 6.2° | 60.0° |
| H21 | CAR | CAP | H22 | 130.9° | 60.0° |
| H21 | CAR | CAP | H23 | 111.4° | 180.0° |
| H24 | CAL | CAJ | H25 | 0.2° | 0.0° |
| H25 | CAJ | CAI | H26 | 0.0° | 0.1° |
| H26 | CAI | CAK | H27 | 0.2° | 0.0° |
| H27 | CAK | CAM | H28 | 0.4° | 0.1° |
