4HH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SU | CT | sing | 1.81Å | 1.81Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CB | OG | sing | 1.43Å | 1.42Å | |
| CL1 | CK | sing | 1.53Å | 1.54Å | |
| CT | CS | sing | 1.53Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| O2P | P | doub | 1.48Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| CS | NR | sing | 1.46Å | 1.45Å | |
| O3P | P | sing | 1.61Å | 1.48Å | |
| O3P | CJ | sing | 1.43Å | 1.44Å | |
| OG | P | sing | 1.61Å | 1.59Å | |
| P | O1P | sing | 1.61Å | 1.47Å | |
| CK | CL2 | sing | 1.53Å | 1.52Å | |
| CK | CJ | sing | 1.53Å | 1.54Å | |
| CK | CM | sing | 1.53Å | 1.57Å | |
| CP | CQ | sing | 1.51Å | 1.53Å | |
| CP | CO | sing | 1.53Å | 1.53Å | |
| NN | CL3 | sing | 1.35Å | 1.32Å | |
| NN | CO | sing | 1.46Å | 1.49Å | |
| NR | CQ | sing | 1.35Å | 1.32Å | |
| CL3 | CM | sing | 1.51Å | 1.56Å | |
| CL3 | ON | doub | 1.21Å | 1.21Å | |
| CQ | OR | doub | 1.21Å | 1.22Å | |
| CM | OM | sing | 1.43Å | 1.43Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CJ | HJ3 | sing | 1.09Å | 1.10Å | |
| CJ | HJ2 | sing | 1.09Å | 1.10Å | |
| CL1 | HL13 | sing | 1.09Å | 1.10Å | |
| CL1 | HL12 | sing | 1.09Å | 1.10Å | |
| CL1 | HL11 | sing | 1.09Å | 1.10Å | |
| CL2 | HL21 | sing | 1.09Å | 1.10Å | |
| CL2 | HL23 | sing | 1.09Å | 1.10Å | |
| CL2 | HL22 | sing | 1.09Å | 1.10Å | |
| CM | HL3 | sing | 1.09Å | 1.10Å | |
| OM | HM | sing | 0.97Å | 0.95Å | |
| NN | HN | sing | 0.97Å | 1.00Å | |
| O1P | H4 | sing | 0.97Å | 0.95Å | |
| CO | HO2 | sing | 1.09Å | 1.10Å | |
| CO | HO3 | sing | 1.09Å | 1.10Å | |
| CP | HP3 | sing | 1.09Å | 1.10Å | |
| CP | HP2 | sing | 1.09Å | 1.10Å | |
| CS | HS2 | sing | 1.09Å | 1.10Å | |
| CS | HS3 | sing | 1.09Å | 1.10Å | |
| CT | HT3 | sing | 1.09Å | 1.10Å | |
| CT | HT2 | sing | 1.09Å | 1.10Å | |
| NR | HR | sing | 0.97Å | 1.00Å | |
| SU | HU | sing | 1.34Å | 1.30Å | |
| C | OXT | sing | 1.34Å | 28.91Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SU | CT | CS | 112.7° | 109.5° |
| SU | CT | HT3 | 108.7° | 109.5° |
| SU | CT | HT2 | 108.7° | 109.5° |
| CT | SU | HU | 102.0° | 103.0° |
| CA | CB | OG | 108.3° | 109.5° |
| CB | CA | N | 109.5° | 109.5° |
| CB | CA | C | 110.7° | 109.5° |
| CB | CA | HA | 109.2° | 109.5° |
| CA | CB | HB3 | 109.8° | 109.4° |
| CA | CB | HB2 | 109.8° | 109.5° |
| CB | OG | P | 119.8° | 123.0° |
| OG | CB | HB3 | 109.8° | 109.5° |
| OG | CB | HB2 | 109.7° | 109.5° |
| CL1 | CK | CL2 | 108.4° | 109.5° |
| CL1 | CK | CJ | 109.2° | 109.5° |
| CL1 | CK | CM | 111.1° | 109.5° |
| CK | CL1 | HL13 | 109.5° | 109.4° |
| CK | CL1 | HL12 | 109.4° | 109.4° |
| CK | CL1 | HL11 | 109.5° | 109.5° |
| CT | CS | NR | 111.9° | 109.4° |
| CT | CS | HS2 | 108.8° | 109.5° |
| CT | CS | HS3 | 108.8° | 109.4° |
| CS | CT | HT3 | 108.7° | 109.5° |
| CS | CT | HT2 | 108.6° | 109.5° |
| N | CA | C | 108.3° | 109.4° |
| N | CA | HA | 110.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C | O | 121.7° | 120.0° |
| C | CA | HA | 109.1° | 109.4° |
| CA | C | OXT | 102.2° | 120.0° |
| O2P | P | O3P | 112.1° | 109.5° |
| O2P | P | OG | 107.9° | 109.5° |
| O2P | P | O1P | 111.1° | 109.5° |
| O | C | OXT | 68.4° | 120.0° |
| CS | NR | CQ | 123.8° | 119.9° |
| NR | CS | HS2 | 108.9° | 109.5° |
| NR | CS | HS3 | 108.9° | 109.5° |
| CS | NR | HR | 118.1° | 120.0° |
| P | O3P | CJ | 116.7° | 123.0° |
| O3P | P | OG | 108.9° | 109.4° |
| O3P | P | O1P | 109.8° | 109.5° |
| O3P | CJ | CK | 111.8° | 109.5° |
| O3P | CJ | HJ3 | 108.9° | 109.5° |
| O3P | CJ | HJ2 | 108.9° | 109.5° |
| OG | P | O1P | 106.8° | 109.5° |
| P | O1P | H4 | 109.5° | 114.0° |
| CL2 | CK | CJ | 105.2° | 109.5° |
| CL2 | CK | CM | 115.3° | 109.5° |
| CK | CL2 | HL21 | 109.5° | 109.5° |
| CK | CL2 | HL23 | 109.5° | 109.5° |
| CK | CL2 | HL22 | 109.5° | 109.4° |
| CJ | CK | CM | 107.3° | 109.4° |
| CK | CJ | HJ3 | 108.9° | 109.5° |
| CK | CJ | HJ2 | 108.9° | 109.5° |
| CK | CM | CL3 | 117.2° | 109.5° |
| CK | CM | OM | 110.5° | 109.5° |
| CK | CM | HL3 | 106.0° | 109.4° |
| CQ | CP | CO | 112.5° | 109.5° |
| CP | CQ | NR | 116.0° | 120.0° |
| CP | CQ | OR | 121.1° | 120.0° |
| CQ | CP | HP3 | 108.7° | 109.5° |
| CQ | CP | HP2 | 108.7° | 109.5° |
| CP | CO | NN | 113.7° | 109.4° |
| CP | CO | HO2 | 108.4° | 109.4° |
| CP | CO | HO3 | 108.4° | 109.4° |
| CO | CP | HP3 | 108.7° | 109.5° |
| CO | CP | HP2 | 108.7° | 109.5° |
| CL3 | NN | CO | 122.7° | 119.9° |
| NN | CL3 | CM | 120.6° | 120.0° |
| NN | CL3 | ON | 120.9° | 120.0° |
| CL3 | NN | HN | 118.7° | 120.0° |
| CO | NN | HN | 118.7° | 120.0° |
| NN | CO | HO2 | 108.4° | 109.5° |
| NN | CO | HO3 | 108.4° | 109.5° |
| NR | CQ | OR | 122.9° | 120.0° |
| CQ | NR | HR | 118.1° | 120.0° |
| CM | CL3 | ON | 118.5° | 120.0° |
| CL3 | CM | OM | 108.8° | 109.5° |
| CL3 | CM | HL3 | 106.1° | 109.5° |
| OM | CM | HL3 | 107.6° | 109.4° |
| CM | OM | HM | 109.5° | 114.0° |
| H | N | H2 | 109.4° | 111.0° |
| HB3 | CB | HB2 | 109.5° | 109.5° |
| HJ3 | CJ | HJ2 | 109.5° | 109.5° |
| HL13 | CL1 | HL12 | 109.5° | 109.5° |
| HL13 | CL1 | HL11 | 109.4° | 109.5° |
| HL12 | CL1 | HL11 | 109.5° | 109.5° |
| HL21 | CL2 | HL23 | 109.5° | 109.5° |
| HL21 | CL2 | HL22 | 109.5° | 109.5° |
| HL23 | CL2 | HL22 | 109.5° | 109.5° |
| HO2 | CO | HO3 | 109.5° | 109.5° |
| HP3 | CP | HP2 | 109.4° | 109.4° |
| HS2 | CS | HS3 | 109.4° | 109.5° |
| HT3 | CT | HT2 | 109.5° | 109.4° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SU | CT | CS | HT3 | 120.5° | 120.0° |
| SU | CT | CS | HT2 | 120.5° | 120.1° |
| SU | CT | CS | NR | 177.7° | 180.0° |
| SU | CT | CS | HS2 | 61.9° | 60.0° |
| SU | CT | CS | HS3 | 57.3° | 60.1° |
| SU | CT | HT3 | HT2 | 118.6° | 120.0° |
| CA | CB | OG | HB3 | 119.8° | 120.0° |
| CA | CB | OG | HB2 | 119.8° | 120.0° |
| CB | CA | N | C | 120.8° | 120.0° |
| CB | CA | N | HA | 120.1° | 120.0° |
| CB | CA | C | HA | 120.2° | 120.0° |
| CB | CA | C | O | 65.5° | 100.0° |
| CA | CB | OG | P | 168.3° | 180.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CA | CB | HB3 | HB2 | 120.6° | 120.0° |
| CB | CA | C | OXT | 137.5° | 79.7° |
| OG | CB | CA | N | 61.8° | 65.0° |
| OG | CB | CA | C | 57.5° | 175.0° |
| CB | OG | P | O2P | 59.6° | 55.0° |
| CB | OG | P | O3P | 62.2° | 175.0° |
| CB | OG | P | O1P | 179.2° | 65.0° |
| OG | CB | CA | HA | 177.6° | 55.0° |
| OG | CB | HB3 | HB2 | 120.5° | 120.0° |
| CL1 | CK | CJ | O3P | 48.5° | 60.0° |
| CL1 | CK | CL2 | CJ | 116.7° | 120.0° |
| CL1 | CK | CL2 | CM | 125.3° | 120.0° |
| CL1 | CK | CJ | CM | 120.5° | 120.0° |
| CL1 | CK | CM | CL3 | 55.9° | 65.6° |
| CL1 | CK | CM | OM | 178.7° | 174.3° |
| CL1 | CK | CJ | HJ3 | 168.9° | 60.0° |
| CL1 | CK | CJ | HJ2 | 71.8° | 180.0° |
| CK | CL1 | HL13 | HL12 | 120.0° | 119.9° |
| CK | CL1 | HL13 | HL11 | 120.0° | 120.0° |
| CK | CL1 | HL12 | HL11 | 120.0° | 120.0° |
| CL1 | CK | CL2 | HL21 | 180.0° | 173.2° |
| CL1 | CK | CL2 | HL23 | 60.0° | 66.8° |
| CL1 | CK | CL2 | HL22 | 60.0° | 53.2° |
| CL1 | CK | CM | HL3 | 62.4° | 54.3° |
| CT | CS | NR | HS2 | 120.4° | 120.0° |
| CT | CS | NR | HS3 | 120.4° | 119.9° |
| CT | CS | NR | CQ | 158.4° | 180.0° |
| CT | CS | HS2 | HS3 | 118.8° | 120.0° |
| CS | CT | HT3 | HT2 | 118.5° | 120.0° |
| CT | CS | NR | HR | 21.6° | 0.0° |
| CS | CT | SU | HU | 180.0° | 180.0° |
| N | CA | C | HA | 119.7° | 120.0° |
| N | CA | C | O | 174.5° | 20.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB3 | 178.4° | 55.0° |
| N | CA | CB | HB2 | 58.0° | 175.0° |
| N | CA | C | OXT | 102.4° | 160.3° |
| CA | C | O | OXT | 91.3° | 179.7° |
| C | CA | N | H | 59.2° | 60.1° |
| C | CA | N | H2 | 60.8° | 176.0° |
| C | CA | CB | HB3 | 62.3° | 65.0° |
| C | CA | CB | HB2 | 177.3° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 179.7° |
| O2P | P | O3P | OG | 119.3° | 120.0° |
| O2P | P | O3P | O1P | 124.0° | 120.0° |
| O2P | P | O3P | CJ | 159.1° | 55.0° |
| O2P | P | OG | O1P | 119.5° | 120.0° |
| O2P | P | O1P | H4 | 0.0° | 180.0° |
| O | C | CA | HA | 54.8° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| CS | NR | CQ | CP | 90.2° | 180.0° |
| CS | NR | CQ | HR | 180.0° | 180.0° |
| CS | NR | CQ | OR | 89.9° | 0.0° |
| NR | CS | HS2 | HS3 | 118.9° | 120.0° |
| NR | CS | CT | HT3 | 57.2° | 60.0° |
| NR | CS | CT | HT2 | 61.8° | 60.0° |
| O3P | P | OG | O1P | 118.6° | 120.0° |
| P | O3P | CJ | CK | 171.4° | 180.0° |
| P | O3P | CJ | HJ3 | 51.1° | 60.0° |
| P | O3P | CJ | HJ2 | 68.2° | 60.0° |
| O3P | P | O1P | H4 | 124.6° | 60.0° |
| CJ | O3P | P | OG | 39.8° | 175.0° |
| CJ | O3P | P | O1P | 76.9° | 65.0° |
| O3P | CJ | CK | CL2 | 164.6° | 60.0° |
| O3P | CJ | CK | HJ3 | 120.4° | 120.0° |
| O3P | CJ | CK | HJ2 | 120.3° | 120.0° |
| O3P | CJ | CK | CM | 72.1° | 180.0° |
| O3P | CJ | HJ3 | HJ2 | 118.9° | 120.0° |
| P | OG | CB | HB3 | 48.5° | 60.0° |
| P | OG | CB | HB2 | 71.8° | 60.0° |
| OG | P | O1P | H4 | 117.4° | 60.0° |
| CL2 | CK | CJ | CM | 123.3° | 120.0° |
| CL2 | CK | CM | CL3 | 68.0° | 174.3° |
| CL2 | CK | CM | OM | 57.4° | 54.3° |
| CL2 | CK | CJ | HJ3 | 75.0° | 180.0° |
| CL2 | CK | CJ | HJ2 | 44.3° | 60.0° |
| CL2 | CK | CL1 | HL13 | 180.0° | 65.3° |
| CL2 | CK | CL1 | HL12 | 60.0° | 174.7° |
| CL2 | CK | CL1 | HL11 | 60.0° | 54.7° |
| CK | CL2 | HL21 | HL23 | 120.0° | 120.0° |
| CK | CL2 | HL21 | HL22 | 120.0° | 119.9° |
| CK | CL2 | HL23 | HL22 | 120.0° | 120.0° |
| CL2 | CK | CM | HL3 | 173.7° | 65.7° |
| CJ | CK | CM | CL3 | 175.1° | 54.4° |
| CJ | CK | CM | OM | 59.4° | 65.7° |
| CK | CJ | HJ3 | HJ2 | 118.9° | 120.0° |
| CJ | CK | CL1 | HL13 | 65.9° | 174.6° |
| CJ | CK | CL1 | HL12 | 174.1° | 54.7° |
| CJ | CK | CL1 | HL11 | 54.1° | 65.3° |
| CJ | CK | CL2 | HL21 | 63.3° | 53.2° |
| CJ | CK | CL2 | HL23 | 56.7° | 173.2° |
| CJ | CK | CL2 | HL22 | 176.7° | 66.8° |
| CJ | CK | CM | HL3 | 56.9° | 174.3° |
| CK | CM | CL3 | NN | 21.2° | 70.8° |
| CK | CM | CL3 | OM | 126.3° | 120.1° |
| CK | CM | CL3 | HL3 | 118.2° | 120.0° |
| CK | CM | CL3 | ON | 160.0° | 109.3° |
| CK | CM | OM | HL3 | 115.4° | 120.0° |
| CM | CK | CJ | HJ3 | 48.3° | 60.0° |
| CM | CK | CJ | HJ2 | 167.6° | 60.0° |
| CM | CK | CL1 | HL13 | 52.3° | 54.7° |
| CM | CK | CL1 | HL12 | 67.7° | 65.3° |
| CM | CK | CL1 | HL11 | 172.2° | 174.7° |
| CM | CK | CL2 | HL21 | 54.7° | 66.8° |
| CM | CK | CL2 | HL23 | 174.7° | 53.3° |
| CM | CK | CL2 | HL22 | 65.3° | 173.3° |
| CK | CM | OM | HM | 155.8° | 60.0° |
| CQ | CP | CO | HP3 | 120.5° | 120.0° |
| CQ | CP | CO | HP2 | 120.5° | 120.1° |
| CQ | CP | CO | NN | 178.9° | 180.0° |
| CP | CQ | NR | OR | 179.9° | 180.0° |
| CQ | CP | CO | HO2 | 60.5° | 60.1° |
| CQ | CP | CO | HO3 | 58.3° | 60.0° |
| CQ | CP | HP3 | HP2 | 118.6° | 120.0° |
| CP | CQ | NR | HR | 89.8° | 0.1° |
| CP | CO | NN | CL3 | 164.8° | 180.0° |
| CP | CO | NN | HO2 | 120.6° | 119.9° |
| CP | CO | NN | HO3 | 120.6° | 120.0° |
| CO | CP | CQ | NR | 148.8° | 180.0° |
| CO | CP | CQ | OR | 31.1° | 0.0° |
| CP | CO | NN | HN | 15.2° | 0.0° |
| CP | CO | HO2 | HO3 | 118.1° | 120.0° |
| CO | CP | HP3 | HP2 | 118.6° | 120.0° |
| CL3 | NN | CO | HN | 180.0° | 180.0° |
| NN | CL3 | CM | ON | 178.8° | 180.0° |
| NN | CL3 | CM | OM | 105.1° | 169.2° |
| NN | CL3 | CM | HL3 | 139.3° | 49.2° |
| CL3 | NN | CO | HO2 | 44.2° | 60.1° |
| CL3 | NN | CO | HO3 | 74.6° | 60.0° |
| CO | NN | CL3 | CM | 89.0° | 175.2° |
| CO | NN | CL3 | ON | 89.7° | 4.8° |
| NN | CO | HO2 | HO3 | 118.1° | 120.1° |
| NN | CO | CP | HP3 | 58.4° | 60.0° |
| NN | CO | CP | HP2 | 60.7° | 60.0° |
| NR | CQ | CP | HP3 | 90.7° | 60.0° |
| NR | CQ | CP | HP2 | 28.4° | 60.0° |
| CQ | NR | CS | HS2 | 81.3° | 60.0° |
| CQ | NR | CS | HS3 | 38.0° | 60.1° |
| CL3 | CM | OM | HL3 | 114.6° | 120.0° |
| CL3 | CM | OM | HM | 25.8° | 60.0° |
| CM | CL3 | NN | HN | 90.9° | 4.7° |
| ON | CL3 | CM | OM | 73.7° | 10.8° |
| ON | CL3 | CM | HL3 | 41.8° | 130.7° |
| ON | CL3 | NN | HN | 90.3° | 175.2° |
| OR | CQ | CP | HP3 | 89.4° | 120.0° |
| OR | CQ | CP | HP2 | 151.5° | 120.0° |
| OR | CQ | NR | HR | 90.1° | 180.0° |
| HA | CA | N | H | 59.9° | 180.0° |
| HA | CA | N | H2 | 179.9° | 56.1° |
| HA | CA | CB | HB3 | 57.8° | 175.0° |
| HA | CA | CB | HB2 | 62.6° | 65.0° |
| HA | CA | C | OXT | 17.3° | 40.3° |
| HL13 | CL1 | HL12 | HL11 | 119.9° | 120.1° |
| HL21 | CL2 | HL23 | HL22 | 120.0° | 120.0° |
| HL3 | CM | OM | HM | 88.8° | 180.0° |
| HN | NN | CO | HO2 | 135.8° | 120.0° |
| HN | NN | CO | HO3 | 105.4° | 119.9° |
| HO2 | CO | CP | HP3 | 179.0° | 180.0° |
| HO2 | CO | CP | HP2 | 60.0° | 60.0° |
| HO3 | CO | CP | HP3 | 62.2° | 60.0° |
| HO3 | CO | CP | HP2 | 178.7° | 180.0° |
| HS2 | CS | CT | HT3 | 177.6° | 60.0° |
| HS2 | CS | CT | HT2 | 58.5° | 179.9° |
| HS2 | CS | NR | HR | 98.7° | 119.9° |
| HS3 | CS | CT | HT3 | 63.2° | 180.0° |
| HS3 | CS | CT | HT2 | 177.8° | 60.0° |
| HS3 | CS | NR | HR | 142.0° | 120.0° |
| HT3 | CT | SU | HU | 59.5° | 60.0° |
| HT2 | CT | SU | HU | 59.5° | 60.0° |
