3M5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.18Å | |
| C | OAC | sing | 1.35Å | 1.37Å | |
| C | CA | sing | 1.51Å | 1.39Å | |
| OAC | CAB | sing | 1.46Å | 1.40Å | |
| CA | CB | sing | 1.54Å | 1.49Å | |
| CA | N | sing | 1.47Å | 1.52Å | |
| CB | CAB | sing | 1.54Å | 1.56Å | |
| N | CAG | sing | 1.35Å | 1.30Å | |
| OAL | CAG | doub | 1.21Å | 1.18Å | |
| CAG | CAH | sing | 1.51Å | 1.49Å | |
| OAM | CAI | doub | 1.21Å | 1.23Å | |
| CAH | CAI | sing | 1.51Å | 1.54Å | |
| CAI | CAJ | sing | 1.51Å | 1.52Å | |
| CAJ | CAN | sing | 1.53Å | 1.50Å | |
| CAN | CAO | sing | 1.53Å | 1.50Å | |
| CAQ | CAR | sing | 1.53Å | 1.45Å | |
| CAQ | CAP | sing | 1.53Å | 1.48Å | |
| CAO | CAP | sing | 1.53Å | 1.53Å | |
| CAS | CAR | sing | 1.53Å | 1.50Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CB | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å | |
| CAQ | H17 | sing | 1.09Å | 1.10Å | |
| CAQ | H18 | sing | 1.09Å | 1.10Å | |
| CAR | H19 | sing | 1.09Å | 1.10Å | |
| CAR | H20 | sing | 1.09Å | 1.10Å | |
| CAS | H21 | sing | 1.09Å | 1.10Å | |
| CAS | H22 | sing | 1.09Å | 1.10Å | |
| CAS | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OAC | 122.3° | 125.9° |
| O | C | CA | 120.8° | 126.0° |
| OAC | C | CA | 116.6° | 108.1° |
| C | OAC | CAB | 107.2° | 108.4° |
| C | CA | CB | 92.0° | 104.7° |
| C | CA | N | 121.4° | 110.4° |
| C | CA | H1 | 111.2° | 110.5° |
| OAC | CAB | CB | 91.9° | 105.1° |
| OAC | CAB | H4 | 113.7° | 110.3° |
| OAC | CAB | H5 | 113.7° | 110.4° |
| CB | CA | N | 111.6° | 110.4° |
| CA | CB | CAB | 105.3° | 103.0° |
| CB | CA | H1 | 109.8° | 110.4° |
| CA | CB | H2 | 110.5° | 110.7° |
| CA | CB | H3 | 110.5° | 110.7° |
| CA | N | CAG | 122.0° | 120.0° |
| N | CA | H1 | 109.4° | 110.3° |
| CA | N | H6 | 119.0° | 120.0° |
| CAB | CB | H2 | 110.5° | 110.7° |
| CAB | CB | H3 | 110.5° | 110.7° |
| CB | CAB | H4 | 113.7° | 110.3° |
| CB | CAB | H5 | 113.7° | 110.3° |
| N | CAG | OAL | 121.2° | 120.0° |
| N | CAG | CAH | 122.2° | 120.0° |
| CAG | N | H6 | 119.0° | 120.0° |
| OAL | CAG | CAH | 116.5° | 120.0° |
| CAG | CAH | CAI | 104.3° | 109.5° |
| CAG | CAH | H7 | 110.7° | 109.4° |
| CAG | CAH | H8 | 110.8° | 109.5° |
| OAM | CAI | CAH | 118.6° | 120.0° |
| OAM | CAI | CAJ | 122.9° | 120.0° |
| CAH | CAI | CAJ | 118.3° | 120.0° |
| CAI | CAH | H7 | 110.8° | 109.5° |
| CAI | CAH | H8 | 110.7° | 109.5° |
| CAI | CAJ | CAN | 112.5° | 109.5° |
| CAI | CAJ | H9 | 108.7° | 109.5° |
| CAI | CAJ | H10 | 108.7° | 109.5° |
| CAJ | CAN | CAO | 101.0° | 109.5° |
| CAN | CAJ | H9 | 108.7° | 109.5° |
| CAN | CAJ | H10 | 108.7° | 109.4° |
| CAJ | CAN | H11 | 111.5° | 109.5° |
| CAJ | CAN | H12 | 111.6° | 109.4° |
| CAN | CAO | CAP | 114.4° | 109.5° |
| CAO | CAN | H11 | 111.5° | 109.5° |
| CAO | CAN | H12 | 111.6° | 109.5° |
| CAN | CAO | H13 | 108.2° | 109.4° |
| CAN | CAO | H14 | 108.2° | 109.4° |
| CAR | CAQ | CAP | 100.0° | 109.4° |
| CAQ | CAR | CAS | 107.9° | 109.5° |
| CAR | CAQ | H17 | 111.8° | 109.5° |
| CAR | CAQ | H18 | 111.8° | 109.5° |
| CAQ | CAR | H19 | 109.9° | 109.4° |
| CAQ | CAR | H20 | 109.9° | 109.5° |
| CAQ | CAP | CAO | 111.8° | 109.5° |
| CAQ | CAP | H15 | 108.9° | 109.5° |
| CAQ | CAP | H16 | 108.9° | 109.4° |
| CAP | CAQ | H17 | 111.8° | 109.5° |
| CAP | CAQ | H18 | 111.8° | 109.4° |
| CAP | CAO | H13 | 108.2° | 109.5° |
| CAP | CAO | H14 | 108.2° | 109.5° |
| CAO | CAP | H15 | 108.9° | 109.5° |
| CAO | CAP | H16 | 108.9° | 109.5° |
| CAS | CAR | H19 | 109.9° | 109.5° |
| CAS | CAR | H20 | 109.9° | 109.5° |
| CAR | CAS | H21 | 109.5° | 109.5° |
| CAR | CAS | H22 | 109.5° | 109.5° |
| CAR | CAS | H23 | 109.5° | 109.5° |
| H2 | CB | H3 | 109.5° | 110.8° |
| H4 | CAB | H5 | 109.4° | 110.3° |
| H7 | CAH | H8 | 109.4° | 109.5° |
| H9 | CAJ | H10 | 109.5° | 109.4° |
| H11 | CAN | H12 | 109.5° | 109.4° |
| H13 | CAO | H14 | 109.5° | 109.5° |
| H15 | CAP | H16 | 109.5° | 109.5° |
| H17 | CAQ | H18 | 109.5° | 109.5° |
| H19 | CAR | H20 | 109.5° | 109.5° |
| H21 | CAS | H22 | 109.5° | 109.5° |
| H21 | CAS | H23 | 109.5° | 109.4° |
| H22 | CAS | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OAC | CA | 174.4° | 180.0° |
| O | C | OAC | CAB | 172.5° | 146.7° |
| O | C | CA | CB | 154.5° | 159.7° |
| O | C | CA | N | 88.5° | 40.8° |
| O | C | CA | H1 | 42.4° | 81.5° |
| OAC | C | CA | CB | 20.0° | 20.4° |
| OAC | C | CA | N | 96.9° | 139.2° |
| C | OAC | CAB | CB | 36.8° | 32.5° |
| OAC | C | CA | H1 | 132.1° | 98.5° |
| C | OAC | CAB | H4 | 80.2° | 151.3° |
| C | OAC | CAB | H5 | 153.7° | 86.5° |
| CA | C | OAC | CAB | 13.1° | 33.3° |
| C | CA | CB | N | 125.1° | 118.8° |
| C | CA | CB | H1 | 113.4° | 118.9° |
| C | CA | N | H1 | 131.7° | 122.4° |
| C | CA | CB | CAB | 43.2° | 0.3° |
| C | CA | N | CAG | 101.4° | 89.8° |
| C | CA | CB | H2 | 76.1° | 118.8° |
| C | CA | CB | H3 | 162.6° | 118.0° |
| C | CA | N | H6 | 78.6° | 90.2° |
| OAC | CAB | CB | CA | 51.6° | 17.9° |
| OAC | CAB | CB | H4 | 116.9° | 118.9° |
| OAC | CAB | CB | H5 | 117.0° | 119.0° |
| OAC | CAB | CB | H2 | 67.8° | 100.6° |
| OAC | CAB | CB | H3 | 170.9° | 136.2° |
| OAC | CAB | H4 | H5 | 128.3° | 122.2° |
| CB | CA | N | H1 | 121.7° | 122.3° |
| CA | CB | CAB | H2 | 119.3° | 118.4° |
| CA | CB | CAB | H3 | 119.3° | 118.3° |
| CB | CA | N | CAG | 5.3° | 155.0° |
| CA | CB | H2 | H3 | 121.9° | 123.2° |
| CA | CB | CAB | H4 | 65.4° | 136.8° |
| CA | CB | CAB | H5 | 168.5° | 101.1° |
| CB | CA | N | H6 | 174.7° | 25.0° |
| N | CA | CB | CAB | 81.9° | 119.2° |
| CA | N | CAG | H6 | 180.0° | 180.0° |
| CA | N | CAG | OAL | 1.3° | 0.0° |
| CA | N | CAG | CAH | 174.4° | 180.0° |
| N | CA | CB | H2 | 158.8° | 122.4° |
| N | CA | CB | H3 | 37.5° | 0.8° |
| CAB | CB | CA | H1 | 156.7° | 118.6° |
| CAB | CB | H2 | H3 | 121.9° | 123.2° |
| CB | CAB | H4 | H5 | 128.3° | 122.2° |
| N | CAG | OAL | CAH | 175.9° | 180.0° |
| N | CAG | CAH | CAI | 97.8° | 180.0° |
| CAG | N | CA | H1 | 126.9° | 32.6° |
| N | CAG | CAH | H7 | 21.4° | 60.0° |
| N | CAG | CAH | H8 | 143.0° | 60.0° |
| OAL | CAG | CAH | CAI | 78.1° | 0.1° |
| OAL | CAG | N | H6 | 178.7° | 179.9° |
| OAL | CAG | CAH | H7 | 162.7° | 120.0° |
| OAL | CAG | CAH | H8 | 41.1° | 120.0° |
| CAG | CAH | CAI | OAM | 30.1° | 0.0° |
| CAG | CAH | CAI | H7 | 119.2° | 119.9° |
| CAG | CAH | CAI | H8 | 119.2° | 120.0° |
| CAG | CAH | CAI | CAJ | 145.0° | 180.0° |
| CAH | CAG | N | H6 | 5.6° | 0.0° |
| CAG | CAH | H7 | H8 | 122.4° | 120.0° |
| OAM | CAI | CAH | CAJ | 175.1° | 180.0° |
| OAM | CAI | CAJ | CAN | 28.7° | 0.0° |
| OAM | CAI | CAH | H7 | 89.1° | 119.9° |
| OAM | CAI | CAH | H8 | 149.3° | 120.0° |
| OAM | CAI | CAJ | H9 | 149.1° | 120.0° |
| OAM | CAI | CAJ | H10 | 91.8° | 120.0° |
| CAH | CAI | CAJ | CAN | 156.4° | 180.0° |
| CAI | CAH | H7 | H8 | 122.4° | 120.1° |
| CAH | CAI | CAJ | H9 | 36.0° | 60.0° |
| CAH | CAI | CAJ | H10 | 83.1° | 60.0° |
| CAI | CAJ | CAN | H9 | 120.5° | 120.0° |
| CAI | CAJ | CAN | H10 | 120.4° | 120.0° |
| CAI | CAJ | CAN | CAO | 170.3° | 180.0° |
| CAJ | CAI | CAH | H7 | 95.8° | 60.1° |
| CAJ | CAI | CAH | H8 | 25.8° | 60.0° |
| CAI | CAJ | H9 | H10 | 118.6° | 120.0° |
| CAI | CAJ | CAN | H11 | 71.1° | 60.0° |
| CAI | CAJ | CAN | H12 | 51.7° | 60.0° |
| CAJ | CAN | CAO | H11 | 118.6° | 120.0° |
| CAJ | CAN | CAO | H12 | 118.6° | 120.0° |
| CAJ | CAN | CAO | CAP | 179.7° | 180.0° |
| CAN | CAJ | H9 | H10 | 118.6° | 119.9° |
| CAJ | CAN | H11 | H12 | 124.0° | 119.9° |
| CAJ | CAN | CAO | H13 | 59.5° | 59.9° |
| CAJ | CAN | CAO | H14 | 59.0° | 60.0° |
| CAN | CAO | CAP | CAQ | 47.9° | 180.0° |
| CAN | CAO | CAP | H13 | 120.7° | 120.0° |
| CAN | CAO | CAP | H14 | 120.7° | 120.0° |
| CAO | CAN | CAJ | H9 | 49.9° | 59.9° |
| CAO | CAN | CAJ | H10 | 69.2° | 60.0° |
| CAO | CAN | H11 | H12 | 124.0° | 120.0° |
| CAN | CAO | H13 | H14 | 117.8° | 119.9° |
| CAN | CAO | CAP | H15 | 72.5° | 60.0° |
| CAN | CAO | CAP | H16 | 168.2° | 60.1° |
| CAR | CAQ | CAP | H17 | 118.4° | 120.0° |
| CAR | CAQ | CAP | H18 | 118.4° | 120.0° |
| CAR | CAQ | CAP | CAO | 175.7° | 180.0° |
| CAQ | CAR | CAS | H19 | 119.7° | 119.9° |
| CAQ | CAR | CAS | H20 | 119.7° | 120.0° |
| CAR | CAQ | CAP | H15 | 55.3° | 60.0° |
| CAR | CAQ | CAP | H16 | 63.9° | 60.0° |
| CAR | CAQ | H17 | H18 | 124.4° | 120.1° |
| CAQ | CAR | H19 | H20 | 120.7° | 120.1° |
| CAQ | CAR | CAS | H21 | 180.0° | 60.0° |
| CAQ | CAR | CAS | H22 | 60.0° | 180.0° |
| CAQ | CAR | CAS | H23 | 60.0° | 60.0° |
| CAQ | CAP | CAO | H15 | 120.4° | 120.0° |
| CAQ | CAP | CAO | H16 | 120.3° | 119.9° |
| CAP | CAQ | CAR | CAS | 167.5° | 180.0° |
| CAQ | CAP | CAO | H13 | 72.9° | 60.0° |
| CAQ | CAP | CAO | H14 | 168.6° | 60.0° |
| CAQ | CAP | H15 | H16 | 118.9° | 120.0° |
| CAP | CAQ | H17 | H18 | 124.4° | 120.0° |
| CAP | CAQ | CAR | H19 | 47.8° | 60.0° |
| CAP | CAQ | CAR | H20 | 72.7° | 60.0° |
| CAP | CAO | CAN | H11 | 61.1° | 60.0° |
| CAP | CAO | CAN | H12 | 61.6° | 60.0° |
| CAP | CAO | H13 | H14 | 117.7° | 120.0° |
| CAO | CAP | H15 | H16 | 118.9° | 120.0° |
| CAO | CAP | CAQ | H17 | 65.9° | 60.0° |
| CAO | CAP | CAQ | H18 | 57.3° | 60.1° |
| CAS | CAR | CAQ | H17 | 49.1° | 60.0° |
| CAS | CAR | CAQ | H18 | 74.0° | 60.0° |
| CAS | CAR | H19 | H20 | 120.8° | 120.0° |
| CAR | CAS | H21 | H22 | 120.0° | 120.0° |
| CAR | CAS | H21 | H23 | 120.0° | 120.0° |
| CAR | CAS | H22 | H23 | 120.0° | 120.0° |
| H1 | CA | CB | H2 | 37.3° | 0.1° |
| H1 | CA | CB | H3 | 84.0° | 123.1° |
| H1 | CA | N | H6 | 53.1° | 147.3° |
| H2 | CB | CAB | H4 | 175.3° | 18.3° |
| H2 | CB | CAB | H5 | 49.2° | 140.5° |
| H3 | CB | CAB | H4 | 54.0° | 104.9° |
| H3 | CB | CAB | H5 | 72.1° | 17.2° |
| H9 | CAJ | CAN | H11 | 168.5° | 180.0° |
| H9 | CAJ | CAN | H12 | 68.7° | 60.1° |
| H10 | CAJ | CAN | H11 | 49.4° | 60.1° |
| H10 | CAJ | CAN | H12 | 172.2° | 180.0° |
| H11 | CAN | CAO | H13 | 178.1° | 180.0° |
| H11 | CAN | CAO | H14 | 59.6° | 60.1° |
| H12 | CAN | CAO | H13 | 59.1° | 60.0° |
| H12 | CAN | CAO | H14 | 177.6° | 180.0° |
| H13 | CAO | CAP | H15 | 166.8° | 180.0° |
| H13 | CAO | CAP | H16 | 47.5° | 59.9° |
| H14 | CAO | CAP | H15 | 48.2° | 60.0° |
| H14 | CAO | CAP | H16 | 71.1° | 180.0° |
| H15 | CAP | CAQ | H17 | 173.7° | 180.0° |
| H15 | CAP | CAQ | H18 | 63.1° | 60.0° |
| H16 | CAP | CAQ | H17 | 54.5° | 60.0° |
| H16 | CAP | CAQ | H18 | 177.6° | 180.0° |
| H17 | CAQ | CAR | H19 | 70.6° | 180.0° |
| H17 | CAQ | CAR | H20 | 168.9° | 60.0° |
| H18 | CAQ | CAR | H19 | 166.3° | 59.9° |
| H18 | CAQ | CAR | H20 | 45.7° | 180.0° |
| H19 | CAR | CAS | H21 | 60.3° | 60.0° |
| H19 | CAR | CAS | H22 | 179.7° | 60.1° |
| H19 | CAR | CAS | H23 | 59.7° | 179.9° |
| H20 | CAR | CAS | H21 | 60.3° | 180.0° |
| H20 | CAR | CAS | H22 | 59.8° | 60.0° |
| H20 | CAR | CAS | H23 | 179.8° | 60.0° |
| H21 | CAS | H22 | H23 | 120.0° | 120.0° |
