SBL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | O3 | sing | 1.43Å | 1.42Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| O3 | B | sing | 1.37Å | 1.57Å | |
| C | O | doub | 1.34Å | 1.24Å | |
| C | OXT | sing | 1.21Å | 1.33Å | |
| OXT | HXT | sing | 6.01Å | 0.95Å | |
| N13 | C12 | sing | 1.46Å | 1.47Å | |
| N13 | C14 | sing | 1.35Å | 1.34Å | |
| N13 | HN3 | sing | 0.97Å | 1.02Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | B | sing | 1.60Å | 1.79Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C11 | C1 | sing | 1.51Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C1 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | C5 | sing | 1.42Å | 1.43Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.36Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| O1 | B | sing | 1.37Å | 1.58Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | B | sing | 1.37Å | 1.55Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C14 | O15 | doub | 1.21Å | 1.23Å | |
| C14 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C9 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C8 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C7 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 110.4° | 106.7° |
| CA | N | H2 | 111.8° | 106.7° |
| N | CA | CB | 110.4° | 109.5° |
| N | CA | C | 105.7° | 109.4° |
| N | CA | HA | 111.2° | 109.5° |
| H | N | H2 | 111.9° | 106.7° |
| CB | CA | C | 109.1° | 109.5° |
| CB | CA | HA | 107.9° | 109.5° |
| CA | CB | O3 | 112.0° | 109.5° |
| CA | CB | HB2 | 111.3° | 109.5° |
| CA | CB | HB3 | 111.3° | 109.5° |
| C | CA | HA | 112.5° | 109.5° |
| CA | C | O | 121.6° | 120.0° |
| CA | C | OXT | 114.4° | 120.0° |
| O3 | CB | HB2 | 111.3° | 109.4° |
| O3 | CB | HB3 | 111.3° | 109.4° |
| CB | O3 | B | 111.4° | 106.8° |
| HB2 | CB | HB3 | 99.1° | 109.4° |
| O3 | B | C12 | 108.2° | 109.5° |
| O3 | B | O1 | 110.6° | 109.5° |
| O3 | B | O2 | 110.2° | 109.4° |
| O | C | OXT | 124.0° | 120.0° |
| C | OXT | HXT | 114.4° | 41.7° |
| C12 | N13 | C14 | 124.4° | 120.0° |
| C12 | N13 | HN3 | 123.2° | 120.0° |
| N13 | C12 | C11 | 121.9° | 109.5° |
| N13 | C12 | B | 108.2° | 109.5° |
| N13 | C12 | H12 | 100.7° | 109.5° |
| C14 | N13 | HN3 | 112.5° | 120.0° |
| N13 | C14 | O15 | 122.7° | 120.0° |
| N13 | C14 | C16 | 119.8° | 120.0° |
| C11 | C12 | B | 107.0° | 109.5° |
| C11 | C12 | H12 | 102.0° | 109.5° |
| C12 | C11 | C1 | 113.1° | 109.5° |
| C12 | C11 | H111 | 110.9° | 109.5° |
| C12 | C11 | H112 | 110.9° | 109.5° |
| B | C12 | H12 | 117.6° | 109.4° |
| C12 | B | O1 | 110.0° | 109.5° |
| C12 | B | O2 | 109.2° | 109.4° |
| C1 | C11 | H111 | 110.8° | 109.5° |
| C1 | C11 | H112 | 110.8° | 109.4° |
| C11 | C1 | C10 | 121.5° | 120.2° |
| C11 | C1 | C2 | 120.4° | 120.2° |
| H111 | C11 | H112 | 99.5° | 109.4° |
| C10 | C1 | C2 | 118.0° | 119.7° |
| C1 | C10 | C5 | 120.5° | 119.4° |
| C1 | C10 | C9 | 120.6° | 121.3° |
| C1 | C2 | C3 | 121.7° | 121.0° |
| C1 | C2 | HC2 | 119.3° | 119.5° |
| C5 | C10 | C9 | 118.9° | 119.4° |
| C10 | C5 | C4 | 119.7° | 119.4° |
| C10 | C5 | C6 | 120.7° | 119.4° |
| C10 | C9 | C8 | 120.1° | 119.6° |
| C10 | C9 | H9 | 119.7° | 120.2° |
| C4 | C5 | C6 | 119.6° | 121.3° |
| C5 | C4 | C3 | 119.7° | 119.6° |
| C5 | C4 | H4 | 120.1° | 120.2° |
| C5 | C6 | C7 | 119.8° | 119.6° |
| C5 | C6 | H6 | 120.3° | 120.2° |
| C3 | C2 | HC2 | 119.0° | 119.6° |
| C2 | C3 | C4 | 120.3° | 121.0° |
| C2 | C3 | H3 | 119.8° | 119.5° |
| C4 | C3 | H3 | 119.8° | 119.5° |
| C3 | C4 | H4 | 120.2° | 120.2° |
| B | O1 | HO1 | 110.6° | 106.8° |
| O1 | B | O2 | 108.6° | 109.5° |
| B | O2 | HO2 | 110.2° | 106.8° |
| O15 | C14 | C16 | 117.5° | 120.0° |
| C14 | C16 | H161 | 119.7° | 109.5° |
| C14 | C16 | H162 | 108.5° | 109.5° |
| C14 | C16 | H163 | 108.5° | 109.4° |
| H161 | C16 | H162 | 108.5° | 109.5° |
| H161 | C16 | H163 | 108.6° | 109.4° |
| H162 | C16 | H163 | 101.5° | 109.4° |
| C8 | C9 | H9 | 120.3° | 120.2° |
| C9 | C8 | C7 | 120.5° | 121.0° |
| C9 | C8 | H8 | 119.7° | 119.5° |
| C7 | C8 | H8 | 119.8° | 119.5° |
| C8 | C7 | C6 | 120.1° | 121.0° |
| C8 | C7 | H7 | 120.6° | 119.5° |
| C6 | C7 | H7 | 119.3° | 119.5° |
| C7 | C6 | H6 | 119.9° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.8° |
| N | CA | CB | C | 115.7° | 120.0° |
| N | CA | CB | HA | 121.7° | 120.0° |
| N | CA | C | HA | 121.6° | 120.0° |
| N | CA | CB | O3 | 82.1° | 65.0° |
| N | CA | CB | HB2 | 43.1° | 175.0° |
| N | CA | CB | HB3 | 152.6° | 55.0° |
| N | CA | C | O | 148.4° | 160.0° |
| N | CA | C | OXT | 31.1° | 19.9° |
| H | N | CA | CB | 180.0° | 173.8° |
| H | N | CA | C | 62.2° | 53.8° |
| H | N | CA | HA | 60.2° | 66.2° |
| H2 | N | CA | CB | 54.8° | 60.0° |
| H2 | N | CA | C | 172.6° | 60.0° |
| H2 | N | CA | HA | 65.0° | 180.0° |
| CB | CA | C | HA | 119.7° | 120.0° |
| CA | CB | O3 | HB2 | 125.3° | 120.1° |
| CA | CB | O3 | HB3 | 125.3° | 120.1° |
| CA | CB | HB2 | HB3 | 117.2° | 120.0° |
| CA | CB | O3 | B | 117.9° | 179.9° |
| CB | CA | C | O | 92.9° | 80.1° |
| CB | CA | C | OXT | 87.6° | 100.0° |
| C | CA | CB | O3 | 162.2° | 175.0° |
| C | CA | CB | HB2 | 72.6° | 55.0° |
| C | CA | CB | HB3 | 36.9° | 64.9° |
| CA | C | O | OXT | 179.5° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 42.7° |
| HA | CA | CB | O3 | 39.6° | 55.0° |
| HA | CA | CB | HB2 | 164.9° | 65.0° |
| HA | CA | CB | HB3 | 85.6° | 175.0° |
| HA | CA | C | O | 26.8° | 40.0° |
| HA | CA | C | OXT | 152.7° | 139.9° |
| O3 | CB | HB2 | HB3 | 117.1° | 119.9° |
| CB | O3 | B | C12 | 177.4° | 180.0° |
| CB | O3 | B | O1 | 62.0° | 60.0° |
| CB | O3 | B | O2 | 58.1° | 60.1° |
| HB2 | CB | O3 | B | 7.4° | 59.9° |
| HB3 | CB | O3 | B | 116.8° | 60.0° |
| O3 | B | C12 | N13 | 85.3° | 50.4° |
| O3 | B | C12 | C11 | 47.7° | 170.4° |
| O3 | B | C12 | O1 | 121.0° | 120.1° |
| O3 | B | C12 | O2 | 120.0° | 119.9° |
| O3 | B | C12 | H12 | 161.6° | 69.5° |
| O3 | B | O1 | O2 | 121.1° | 120.0° |
| O3 | B | O1 | HO1 | 180.0° | 60.0° |
| O3 | B | O2 | HO2 | 180.0° | 64.1° |
| O | C | OXT | HXT | 0.5° | 137.3° |
| C12 | N13 | C14 | HN3 | 179.9° | 180.0° |
| N13 | C12 | C11 | B | 125.1° | 120.0° |
| N13 | C12 | C11 | H12 | 110.8° | 120.0° |
| N13 | C12 | B | H12 | 113.0° | 120.0° |
| N13 | C12 | C11 | C1 | 78.7° | 180.0° |
| N13 | C12 | C11 | H111 | 46.5° | 60.0° |
| N13 | C12 | C11 | H112 | 156.1° | 60.0° |
| N13 | C12 | B | O1 | 35.6° | 170.5° |
| N13 | C12 | B | O2 | 154.7° | 69.5° |
| C12 | N13 | C14 | O15 | 39.3° | 5.0° |
| C12 | N13 | C14 | C16 | 142.6° | 174.9° |
| C14 | N13 | C12 | C11 | 6.3° | 134.8° |
| C14 | N13 | C12 | B | 118.2° | 105.2° |
| C14 | N13 | C12 | H12 | 117.9° | 14.8° |
| N13 | C14 | O15 | C16 | 178.2° | 179.9° |
| N13 | C14 | C16 | H161 | 179.9° | 90.0° |
| N13 | C14 | C16 | H162 | 54.8° | 30.1° |
| N13 | C14 | C16 | H163 | 54.8° | 150.0° |
| HN3 | N13 | C12 | C11 | 173.6° | 45.2° |
| HN3 | N13 | C12 | B | 61.8° | 74.8° |
| HN3 | N13 | C12 | H12 | 62.1° | 165.3° |
| HN3 | N13 | C14 | O15 | 140.6° | 175.0° |
| HN3 | N13 | C14 | C16 | 37.5° | 5.1° |
| C11 | C12 | B | H12 | 113.9° | 120.0° |
| C12 | C11 | C1 | H111 | 125.3° | 120.0° |
| C12 | C11 | C1 | H112 | 125.3° | 120.0° |
| C12 | C11 | H111 | H112 | 116.8° | 120.0° |
| C12 | C11 | C1 | C10 | 163.0° | 84.7° |
| C12 | C11 | C1 | C2 | 14.1° | 95.0° |
| C11 | C12 | B | O1 | 168.7° | 69.5° |
| C11 | C12 | B | O2 | 72.2° | 50.5° |
| B | C12 | C11 | C1 | 156.2° | 60.0° |
| B | C12 | C11 | H111 | 78.6° | 180.0° |
| B | C12 | C11 | H112 | 31.0° | 60.0° |
| C12 | B | O1 | O2 | 119.4° | 120.0° |
| C12 | B | O1 | HO1 | 60.5° | 60.0° |
| C12 | B | O2 | HO2 | 61.3° | 55.8° |
| H12 | C12 | C11 | C1 | 32.1° | 60.0° |
| H12 | C12 | C11 | H111 | 157.4° | 60.0° |
| H12 | C12 | C11 | H112 | 93.1° | 180.0° |
| H12 | C12 | B | O1 | 77.4° | 50.5° |
| H12 | C12 | B | O2 | 41.7° | 170.5° |
| C1 | C11 | H111 | H112 | 116.7° | 119.9° |
| C11 | C1 | C10 | C2 | 177.1° | 179.7° |
| C11 | C1 | C10 | C5 | 176.9° | 179.8° |
| C11 | C1 | C10 | C9 | 5.4° | 0.6° |
| C11 | C1 | C2 | C3 | 177.0° | 179.9° |
| C11 | C1 | C2 | HC2 | 3.0° | 0.0° |
| H111 | C11 | C1 | C10 | 71.8° | 35.4° |
| H111 | C11 | C1 | C2 | 111.2° | 145.0° |
| H112 | C11 | C1 | C10 | 37.7° | 155.3° |
| H112 | C11 | C1 | C2 | 139.3° | 25.0° |
| C1 | C10 | C5 | C9 | 177.7° | 179.2° |
| C1 | C10 | C5 | C4 | 0.1° | 0.5° |
| C1 | C10 | C5 | C6 | 178.2° | 179.7° |
| C10 | C1 | C2 | C3 | 0.1° | 0.2° |
| C10 | C1 | C2 | HC2 | 179.8° | 179.7° |
| C1 | C10 | C9 | C8 | 177.6° | 179.7° |
| C1 | C10 | C9 | H9 | 2.3° | 0.5° |
| C2 | C1 | C10 | C5 | 0.2° | 0.5° |
| C2 | C1 | C10 | C9 | 177.4° | 179.7° |
| C1 | C2 | C3 | HC2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | H3 | 179.7° | 179.9° |
| C10 | C5 | C4 | C6 | 178.3° | 179.8° |
| C10 | C5 | C4 | C3 | 0.5° | 0.2° |
| C10 | C5 | C4 | H4 | 179.5° | 179.8° |
| C5 | C10 | C9 | C8 | 0.0° | 0.5° |
| C5 | C10 | C9 | H9 | 180.0° | 179.7° |
| C10 | C5 | C6 | C7 | 0.8° | 0.2° |
| C10 | C5 | C6 | H6 | 179.2° | 179.8° |
| C9 | C10 | C5 | C4 | 177.8° | 179.7° |
| C9 | C10 | C5 | C6 | 0.5° | 0.5° |
| C10 | C9 | C8 | H9 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 0.3° | 0.3° |
| C10 | C9 | C8 | H8 | 179.7° | 179.7° |
| C5 | C4 | C3 | C2 | 0.6° | 0.1° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.4° | 180.0° |
| C4 | C5 | C6 | C7 | 177.5° | 180.0° |
| C4 | C5 | C6 | H6 | 2.5° | 0.0° |
| C6 | C5 | C4 | C3 | 177.8° | 180.0° |
| C6 | C5 | C4 | H4 | 2.2° | 0.0° |
| C5 | C6 | C7 | C8 | 0.6° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H7 | 179.3° | 180.0° |
| C2 | C3 | C4 | H3 | 179.9° | 179.9° |
| C2 | C3 | C4 | H4 | 179.4° | 180.0° |
| HC2 | C2 | C3 | C4 | 179.8° | 180.0° |
| HC2 | C2 | C3 | H3 | 0.3° | 0.1° |
| H3 | C3 | C4 | H4 | 0.6° | 0.1° |
| O1 | B | O2 | HO2 | 58.7° | 175.8° |
| HO1 | O1 | B | O2 | 58.9° | 180.0° |
| O15 | C14 | C16 | H161 | 1.7° | 89.9° |
| O15 | C14 | C16 | H162 | 123.4° | 150.0° |
| O15 | C14 | C16 | H163 | 127.0° | 30.1° |
| C14 | C16 | H161 | H162 | 125.2° | 120.1° |
| C14 | C16 | H161 | H163 | 125.3° | 119.9° |
| C14 | C16 | H162 | H163 | 114.2° | 119.9° |
| H161 | C16 | H162 | H163 | 114.2° | 120.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| H9 | C9 | C8 | C7 | 179.8° | 179.9° |
| H9 | C9 | C8 | H8 | 0.3° | 0.0° |
| C8 | C7 | C6 | H7 | 179.9° | 180.0° |
| C8 | C7 | C6 | H6 | 179.4° | 180.0° |
| H8 | C8 | C7 | C6 | 180.0° | 180.0° |
| H8 | C8 | C7 | H7 | 0.1° | 0.0° |
| H7 | C7 | C6 | H6 | 0.6° | 0.0° |
