PQG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.22Å | |
| C95 | C96 | sing | 1.53Å | 1.51Å | |
| C95 | CA | sing | 1.53Å | 1.53Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C96 | C97 | sing | 1.53Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| CA | C99 | sing | 1.53Å | 1.54Å | |
| C97 | CA0 | sing | 1.51Å | 1.51Å | |
| C97 | C98 | sing | 1.53Å | 1.51Å | |
| C99 | C98 | sing | 1.53Å | 1.52Å | |
| CA1 | CA0 | doub | 1.38Å | 1.39Å | Aromatic |
| CA1 | CA2 | sing | 1.38Å | 1.39Å | Aromatic |
| CA0 | CA5 | sing | 1.38Å | 1.40Å | Aromatic |
| CA2 | CA3 | doub | 1.38Å | 1.39Å | Aromatic |
| CA5 | CA4 | doub | 1.38Å | 1.39Å | Aromatic |
| CA3 | CA4 | sing | 1.38Å | 1.39Å | Aromatic |
| CA1 | HA11 | sing | 1.08Å | 1.08Å | |
| CA2 | HA21 | sing | 1.08Å | 1.08Å | |
| CA3 | HA31 | sing | 1.08Å | 1.08Å | |
| CA4 | HA41 | sing | 1.08Å | 1.08Å | |
| CA5 | HA51 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C95 | H952 | sing | 1.09Å | 1.10Å | |
| C95 | H951 | sing | 1.09Å | 1.10Å | |
| C96 | H962 | sing | 1.09Å | 1.10Å | |
| C96 | H961 | sing | 1.09Å | 1.10Å | |
| C97 | H971 | sing | 1.09Å | 1.10Å | |
| C98 | H982 | sing | 1.09Å | 1.10Å | |
| C98 | H981 | sing | 1.09Å | 1.10Å | |
| C99 | H992 | sing | 1.09Å | 1.10Å | |
| C99 | H991 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.40Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 116.6° | 119.9° |
| O | C | OXT | 111.6° | 120.0° |
| C96 | C95 | CA | 112.4° | 109.5° |
| C95 | C96 | C97 | 108.6° | 109.5° |
| C96 | C95 | H952 | 108.7° | 109.5° |
| C96 | C95 | H951 | 108.7° | 109.5° |
| C95 | C96 | H962 | 109.7° | 109.5° |
| C95 | C96 | H961 | 109.7° | 109.5° |
| C95 | CA | C | 109.8° | 109.5° |
| C95 | CA | N | 115.8° | 109.5° |
| C95 | CA | C99 | 101.6° | 109.5° |
| CA | C95 | H952 | 108.7° | 109.4° |
| CA | C95 | H951 | 108.7° | 109.5° |
| C | CA | N | 100.4° | 109.4° |
| C | CA | C99 | 114.2° | 109.5° |
| CA | C | OXT | 131.8° | 120.0° |
| C96 | C97 | CA0 | 108.2° | 109.4° |
| C96 | C97 | C98 | 109.0° | 109.5° |
| C97 | C96 | H962 | 109.7° | 109.5° |
| C97 | C96 | H961 | 109.7° | 109.5° |
| C96 | C97 | H971 | 109.1° | 109.5° |
| N | CA | C99 | 115.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C99 | C98 | 115.4° | 109.5° |
| CA | C99 | H992 | 108.0° | 109.5° |
| CA | C99 | H991 | 108.0° | 109.5° |
| CA0 | C97 | C98 | 112.3° | 109.5° |
| C97 | CA0 | CA1 | 119.3° | 120.0° |
| C97 | CA0 | CA5 | 121.8° | 120.0° |
| CA0 | C97 | H971 | 109.1° | 109.4° |
| C97 | C98 | C99 | 110.3° | 109.4° |
| C98 | C97 | H971 | 109.1° | 109.5° |
| C97 | C98 | H982 | 109.3° | 109.5° |
| C97 | C98 | H981 | 109.2° | 109.5° |
| C99 | C98 | H982 | 109.3° | 109.4° |
| C99 | C98 | H981 | 109.3° | 109.4° |
| C98 | C99 | H992 | 108.0° | 109.4° |
| C98 | C99 | H991 | 108.0° | 109.4° |
| CA0 | CA1 | CA2 | 120.3° | 120.0° |
| CA1 | CA0 | CA5 | 118.8° | 120.0° |
| CA0 | CA1 | HA11 | 119.8° | 120.0° |
| CA1 | CA2 | CA3 | 120.7° | 120.0° |
| CA2 | CA1 | HA11 | 119.8° | 120.0° |
| CA1 | CA2 | HA21 | 119.6° | 120.0° |
| CA0 | CA5 | CA4 | 120.6° | 120.0° |
| CA0 | CA5 | HA51 | 119.7° | 120.1° |
| CA2 | CA3 | CA4 | 119.6° | 120.0° |
| CA3 | CA2 | HA21 | 119.7° | 120.0° |
| CA2 | CA3 | HA31 | 120.2° | 120.0° |
| CA5 | CA4 | CA3 | 120.0° | 120.0° |
| CA5 | CA4 | HA41 | 120.0° | 120.0° |
| CA4 | CA5 | HA51 | 119.7° | 120.0° |
| CA4 | CA3 | HA31 | 120.2° | 120.0° |
| CA3 | CA4 | HA41 | 120.0° | 120.0° |
| H | N | H2 | 109.4° | 111.0° |
| H952 | C95 | H951 | 109.5° | 109.5° |
| H962 | C96 | H961 | 109.4° | 109.5° |
| H982 | C98 | H981 | 109.5° | 109.5° |
| H992 | C99 | H991 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | C95 | 50.7° | 95.0° |
| O | C | CA | OXT | 178.6° | 179.9° |
| O | C | CA | N | 173.1° | 145.0° |
| O | C | CA | C99 | 62.6° | 25.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C96 | C95 | CA | H952 | 120.5° | 120.0° |
| C96 | C95 | CA | H951 | 120.4° | 120.0° |
| C96 | C95 | CA | C | 176.7° | 180.0° |
| C95 | C96 | C97 | H962 | 119.9° | 120.0° |
| C95 | C96 | C97 | H961 | 119.9° | 120.0° |
| C96 | C95 | CA | N | 63.9° | 60.0° |
| C96 | C95 | CA | C99 | 62.1° | 60.0° |
| C95 | C96 | C97 | CA0 | 178.1° | 180.0° |
| C95 | C96 | C97 | C98 | 59.5° | 60.1° |
| C96 | C95 | H952 | H951 | 118.6° | 120.1° |
| C95 | C96 | H962 | H961 | 120.4° | 120.0° |
| C95 | C96 | C97 | H971 | 59.5° | 60.0° |
| C95 | CA | C | N | 122.4° | 120.0° |
| C95 | CA | C | C99 | 113.4° | 120.0° |
| CA | C95 | C96 | C97 | 67.3° | 60.0° |
| C95 | CA | N | C99 | 118.6° | 120.0° |
| C95 | CA | C99 | C98 | 57.5° | 60.0° |
| C95 | CA | N | H | 180.0° | 60.0° |
| C95 | CA | N | H2 | 60.0° | 176.0° |
| CA | C95 | H952 | H951 | 118.6° | 120.0° |
| CA | C95 | C96 | H962 | 172.9° | 180.0° |
| CA | C95 | C96 | H961 | 52.6° | 60.0° |
| C95 | CA | C99 | H992 | 178.4° | 179.9° |
| C95 | CA | C99 | H991 | 63.3° | 60.0° |
| C95 | CA | C | OXT | 127.9° | 85.0° |
| C | CA | N | C99 | 123.3° | 120.0° |
| C | CA | C99 | C98 | 175.6° | 180.0° |
| C | CA | N | H | 61.9° | 60.0° |
| C | CA | N | H2 | 178.1° | 64.0° |
| C | CA | C95 | H952 | 56.2° | 60.0° |
| C | CA | C95 | H951 | 62.9° | 60.0° |
| C | CA | C99 | H992 | 63.5° | 60.0° |
| C | CA | C99 | H991 | 54.8° | 60.1° |
| CA | C | OXT | HXT | 178.6° | 180.0° |
| C96 | C97 | CA0 | C98 | 120.4° | 120.0° |
| C96 | C97 | CA0 | H971 | 118.5° | 120.0° |
| C96 | C97 | C98 | H971 | 119.0° | 120.1° |
| C96 | C97 | C98 | C99 | 54.5° | 60.0° |
| C96 | C97 | CA0 | CA1 | 121.8° | 60.3° |
| C96 | C97 | CA0 | CA5 | 53.2° | 120.0° |
| C97 | C96 | C95 | H952 | 172.3° | 60.0° |
| C97 | C96 | C95 | H951 | 53.2° | 180.0° |
| C97 | C96 | H962 | H961 | 120.4° | 120.1° |
| C96 | C97 | C98 | H982 | 174.6° | 180.0° |
| C96 | C97 | C98 | H981 | 65.7° | 59.9° |
| N | CA | C99 | C98 | 68.7° | 60.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C95 | H952 | 56.6° | 180.0° |
| N | CA | C95 | H951 | 175.7° | 60.0° |
| N | CA | C99 | H992 | 52.2° | 59.9° |
| N | CA | C99 | H991 | 170.5° | 180.0° |
| N | CA | C | OXT | 5.5° | 35.0° |
| CA | C99 | C98 | C97 | 57.2° | 60.0° |
| CA | C99 | C98 | H992 | 120.8° | 120.0° |
| CA | C99 | C98 | H991 | 120.8° | 120.0° |
| C99 | CA | N | H | 61.4° | 180.0° |
| C99 | CA | N | H2 | 58.6° | 56.0° |
| C99 | CA | C95 | H952 | 177.4° | 60.0° |
| C99 | CA | C95 | H951 | 58.3° | 180.0° |
| CA | C99 | C98 | H982 | 177.3° | 180.0° |
| CA | C99 | C98 | H981 | 62.9° | 60.0° |
| CA | C99 | H992 | H991 | 117.3° | 120.1° |
| C99 | CA | C | OXT | 118.8° | 155.0° |
| CA0 | C97 | C98 | H971 | 121.1° | 120.0° |
| CA0 | C97 | C98 | C99 | 174.4° | 180.0° |
| C97 | CA0 | CA1 | CA5 | 175.1° | 179.7° |
| C97 | CA0 | CA1 | CA2 | 177.9° | 179.7° |
| C97 | CA0 | CA5 | CA4 | 176.3° | 179.6° |
| C97 | CA0 | CA1 | HA11 | 2.1° | 0.3° |
| C97 | CA0 | CA5 | HA51 | 3.7° | 0.3° |
| CA0 | C97 | C96 | H962 | 58.2° | 60.0° |
| CA0 | C97 | C96 | H961 | 62.0° | 60.0° |
| CA0 | C97 | C98 | H982 | 65.5° | 60.0° |
| CA0 | C97 | C98 | H981 | 54.2° | 60.0° |
| C97 | C98 | C99 | H982 | 120.1° | 120.0° |
| C97 | C98 | C99 | H981 | 120.1° | 120.0° |
| C98 | C97 | CA0 | CA1 | 117.8° | 59.7° |
| C98 | C97 | CA0 | CA5 | 67.2° | 120.0° |
| C98 | C97 | C96 | H962 | 179.4° | 180.0° |
| C98 | C97 | C96 | H961 | 60.4° | 59.9° |
| C97 | C98 | H982 | H981 | 119.6° | 120.1° |
| C97 | C98 | C99 | H992 | 178.0° | 180.0° |
| C97 | C98 | C99 | H991 | 63.6° | 60.0° |
| C99 | C98 | C97 | H971 | 64.5° | 60.0° |
| C99 | C98 | H982 | H981 | 119.6° | 120.0° |
| C98 | C99 | H992 | H991 | 117.3° | 119.9° |
| CA0 | CA1 | CA2 | HA11 | 180.0° | 180.0° |
| CA0 | CA1 | CA2 | CA3 | 2.8° | 0.0° |
| CA1 | CA0 | CA5 | CA4 | 1.3° | 0.1° |
| CA0 | CA1 | CA2 | HA21 | 177.2° | 180.0° |
| CA1 | CA0 | CA5 | HA51 | 178.7° | 180.0° |
| CA1 | CA0 | C97 | H971 | 3.3° | 179.7° |
| CA2 | CA1 | CA0 | CA5 | 2.7° | 0.0° |
| CA1 | CA2 | CA3 | HA21 | 180.0° | 180.0° |
| CA1 | CA2 | CA3 | CA4 | 1.3° | 0.0° |
| CA1 | CA2 | CA3 | HA31 | 178.7° | 179.9° |
| CA0 | CA5 | CA4 | HA51 | 180.0° | 179.9° |
| CA0 | CA5 | CA4 | CA3 | 0.1° | 0.1° |
| CA5 | CA0 | CA1 | HA11 | 177.3° | 180.0° |
| CA0 | CA5 | CA4 | HA41 | 180.0° | 180.0° |
| CA5 | CA0 | C97 | H971 | 171.7° | 0.0° |
| CA2 | CA3 | CA4 | CA5 | 0.1° | 0.1° |
| CA2 | CA3 | CA4 | HA31 | 180.0° | 179.9° |
| CA3 | CA2 | CA1 | HA11 | 177.2° | 180.0° |
| CA2 | CA3 | CA4 | HA41 | 179.9° | 179.9° |
| CA5 | CA4 | CA3 | HA41 | 180.0° | 179.8° |
| CA5 | CA4 | CA3 | HA31 | 179.9° | 179.8° |
| CA4 | CA3 | CA2 | HA21 | 178.7° | 180.0° |
| CA3 | CA4 | CA5 | HA51 | 179.9° | 180.0° |
| HA11 | CA1 | CA2 | HA21 | 2.8° | 0.0° |
| HA21 | CA2 | CA3 | HA31 | 1.3° | 0.1° |
| HA31 | CA3 | CA4 | HA41 | 0.1° | 0.0° |
| HA41 | CA4 | CA5 | HA51 | 0.1° | 0.1° |
| H952 | C95 | C96 | H962 | 52.4° | 60.0° |
| H952 | C95 | C96 | H961 | 67.8° | 180.0° |
| H951 | C95 | C96 | H962 | 66.7° | 60.0° |
| H951 | C95 | C96 | H961 | 173.1° | 60.0° |
| H962 | C96 | C97 | H971 | 60.4° | 60.0° |
| H961 | C96 | C97 | H971 | 179.4° | 180.0° |
| H971 | C97 | C98 | H982 | 55.6° | 59.9° |
| H971 | C97 | C98 | H981 | 175.3° | 180.0° |
| H982 | C98 | C99 | H992 | 61.8° | 60.0° |
| H982 | C98 | C99 | H991 | 56.5° | 60.0° |
| H981 | C98 | C99 | H992 | 57.9° | 60.0° |
| H981 | C98 | C99 | H991 | 176.3° | 180.0° |
