7BB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.40Å | 1.38Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| OXT | C54 | sing | 1.45Å | 1.44Å | |
| CA | N13 | sing | 1.40Å | 1.43Å | |
| CB | CA | doub | 1.33Å | 1.37Å | |
| SG | CB | sing | 1.76Å | 1.74Å | |
| N13 | C49 | sing | 1.46Å | 1.53Å | |
| N13 | C | sing | 1.35Å | 1.46Å | |
| O13 | C60 | doub | 1.21Å | 1.34Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | OXT | sing | 1.35Å | 1.40Å | |
| C50 | C49 | sing | 1.53Å | 1.52Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C52 | C57 | sing | 1.53Å | 1.60Å | |
| C53 | C52 | sing | 1.53Å | 1.54Å | |
| C53 | C54 | sing | 1.53Å | 1.56Å | |
| C54 | C55 | sing | 1.53Å | 1.55Å | |
| C55 | C56 | sing | 1.53Å | 1.55Å | |
| C56 | C57 | sing | 1.53Å | 1.58Å | |
| C57 | C58 | sing | 1.51Å | 1.53Å | |
| C58 | O10 | doub | 1.21Å | 1.22Å | |
| C58 | O11 | sing | 1.34Å | 1.35Å | |
| C59 | C51 | sing | 1.53Å | 1.54Å | |
| C60 | O12 | sing | 1.34Å | 1.22Å | |
| C60 | C59 | sing | 1.51Å | 1.54Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| CB | HB | sing | 1.08Å | 1.08Å | |
| SG | HSG | sing | 1.34Å | 1.30Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C55 | H55A | sing | 1.09Å | 1.10Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C56 | H56A | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 120.0° |
| N | CA | N13 | 121.5° | 120.0° |
| N | CA | CB | 111.9° | 120.0° |
| CA | N | H2 | 109.4° | 120.0° |
| H | N | H2 | 109.5° | 120.0° |
| C54 | OXT | C | 127.2° | 117.0° |
| OXT | C54 | C53 | 116.1° | 109.5° |
| OXT | C54 | C55 | 108.4° | 109.5° |
| OXT | C54 | H54 | 108.1° | 109.5° |
| N13 | CA | CB | 126.6° | 120.0° |
| CA | N13 | C49 | 113.7° | 120.0° |
| CA | N13 | C | 123.1° | 120.0° |
| CA | CB | SG | 113.1° | 120.0° |
| CA | CB | HB | 123.4° | 120.0° |
| SG | CB | HB | 123.5° | 120.0° |
| CB | SG | HSG | 102.0° | 103.0° |
| C49 | N13 | C | 123.2° | 120.0° |
| N13 | C49 | C50 | 112.1° | 109.5° |
| N13 | C49 | H49 | 108.8° | 109.5° |
| N13 | C49 | H49A | 108.8° | 109.5° |
| N13 | C | O | 129.3° | 120.0° |
| N13 | C | OXT | 107.4° | 120.0° |
| O13 | C60 | O12 | 122.3° | 120.0° |
| O13 | C60 | C59 | 112.0° | 120.0° |
| O | C | OXT | 123.3° | 120.0° |
| C49 | C50 | C51 | 112.7° | 109.5° |
| C50 | C49 | H49 | 108.8° | 109.5° |
| C50 | C49 | H49A | 108.8° | 109.5° |
| C49 | C50 | H50 | 108.6° | 109.5° |
| C49 | C50 | H50A | 108.7° | 109.4° |
| C50 | C51 | C59 | 113.2° | 109.5° |
| C51 | C50 | H50 | 108.7° | 109.5° |
| C51 | C50 | H50A | 108.7° | 109.5° |
| C50 | C51 | H51 | 108.5° | 109.5° |
| C50 | C51 | H51A | 108.5° | 109.4° |
| C57 | C52 | C53 | 117.9° | 109.5° |
| C52 | C57 | C56 | 109.0° | 109.5° |
| C52 | C57 | C58 | 110.9° | 109.5° |
| C57 | C52 | H52 | 107.3° | 109.5° |
| C57 | C52 | H52A | 107.3° | 109.5° |
| C52 | C57 | H57 | 108.3° | 109.5° |
| C52 | C53 | C54 | 109.2° | 109.5° |
| C53 | C52 | H52 | 107.3° | 109.5° |
| C53 | C52 | H52A | 107.3° | 109.5° |
| C52 | C53 | H53 | 109.5° | 109.4° |
| C52 | C53 | H53A | 109.5° | 109.5° |
| C53 | C54 | C55 | 110.4° | 109.5° |
| C54 | C53 | H53 | 109.5° | 109.5° |
| C54 | C53 | H53A | 109.5° | 109.5° |
| C53 | C54 | H54 | 106.6° | 109.5° |
| C54 | C55 | C56 | 111.1° | 109.5° |
| C55 | C54 | H54 | 106.7° | 109.5° |
| C54 | C55 | H55 | 109.1° | 109.5° |
| C54 | C55 | H55A | 109.1° | 109.4° |
| C55 | C56 | C57 | 115.0° | 109.4° |
| C56 | C55 | H55 | 109.0° | 109.5° |
| C56 | C55 | H55A | 109.0° | 109.5° |
| C55 | C56 | H56 | 108.1° | 109.5° |
| C55 | C56 | H56A | 108.1° | 109.5° |
| C56 | C57 | C58 | 111.0° | 109.4° |
| C57 | C56 | H56 | 108.0° | 109.5° |
| C57 | C56 | H56A | 108.1° | 109.4° |
| C56 | C57 | H57 | 108.5° | 109.5° |
| C57 | C58 | O10 | 121.0° | 120.0° |
| C57 | C58 | O11 | 115.6° | 120.0° |
| C58 | C57 | H57 | 109.1° | 109.5° |
| O10 | C58 | O11 | 123.4° | 120.0° |
| C58 | O11 | HO11 | 109.5° | 117.1° |
| C51 | C59 | C60 | 113.2° | 109.5° |
| C59 | C51 | H51 | 108.6° | 109.5° |
| C59 | C51 | H51A | 108.5° | 109.5° |
| C51 | C59 | H59 | 108.6° | 109.5° |
| C51 | C59 | H59A | 108.5° | 109.5° |
| O12 | C60 | C59 | 125.6° | 120.0° |
| C60 | O12 | HO12 | 109.5° | 117.0° |
| C60 | C59 | H59 | 108.5° | 109.5° |
| C60 | C59 | H59A | 108.5° | 109.5° |
| H49 | C49 | H49A | 109.4° | 109.4° |
| H50 | C50 | H50A | 109.5° | 109.5° |
| H51 | C51 | H51A | 109.5° | 109.5° |
| H52 | C52 | H52A | 109.5° | 109.5° |
| H53 | C53 | H53A | 109.4° | 109.5° |
| H55 | C55 | H55A | 109.5° | 109.5° |
| H56 | C56 | H56A | 109.5° | 109.5° |
| H59 | C59 | H59A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 179.7° |
| N | CA | N13 | CB | 179.2° | 179.9° |
| N | CA | CB | SG | 0.2° | 0.0° |
| N | CA | N13 | C49 | 31.3° | 144.7° |
| N | CA | N13 | C | 149.7° | 35.3° |
| N | CA | CB | HB | 179.8° | 180.0° |
| H | N | CA | N13 | 180.0° | 4.9° |
| H | N | CA | CB | 0.7° | 175.2° |
| C54 | OXT | C | N13 | 178.9° | 180.0° |
| C54 | OXT | C | O | 0.6° | 0.0° |
| OXT | C54 | C53 | C52 | 177.9° | 180.0° |
| OXT | C54 | C53 | C55 | 124.0° | 120.0° |
| OXT | C54 | C53 | H54 | 120.5° | 120.0° |
| OXT | C54 | C55 | H54 | 116.2° | 120.0° |
| OXT | C54 | C55 | C56 | 171.0° | 180.0° |
| OXT | C54 | C53 | H53 | 62.1° | 60.1° |
| OXT | C54 | C53 | H53A | 57.9° | 60.0° |
| OXT | C54 | C55 | H55 | 68.7° | 60.0° |
| OXT | C54 | C55 | H55A | 50.8° | 60.0° |
| N13 | CA | CB | SG | 179.1° | 179.9° |
| CA | N13 | C49 | C | 179.0° | 180.0° |
| CA | N13 | C | O | 2.0° | 174.6° |
| CA | N13 | C | OXT | 176.2° | 5.4° |
| CA | N13 | C49 | C50 | 102.2° | 90.0° |
| N13 | CA | N | H2 | 60.0° | 174.8° |
| N13 | CA | CB | HB | 0.9° | 0.0° |
| CA | N13 | C49 | H49 | 137.4° | 150.0° |
| CA | N13 | C49 | H49A | 18.2° | 30.0° |
| CA | CB | SG | HB | 180.0° | 180.0° |
| CB | CA | N13 | C49 | 149.5° | 35.2° |
| CB | CA | N13 | C | 29.5° | 144.8° |
| CB | CA | N | H2 | 119.4° | 5.1° |
| CA | CB | SG | HSG | 180.0° | 180.0° |
| C49 | N13 | C | O | 177.0° | 5.4° |
| C49 | N13 | C | OXT | 4.8° | 174.7° |
| N13 | C49 | C50 | H49 | 120.4° | 120.0° |
| N13 | C49 | C50 | H49A | 120.4° | 120.0° |
| N13 | C49 | C50 | C51 | 179.2° | 180.0° |
| N13 | C49 | H49 | H49A | 118.8° | 120.0° |
| N13 | C49 | C50 | H50 | 58.7° | 60.0° |
| N13 | C49 | C50 | H50A | 60.3° | 60.0° |
| N13 | C | O | OXT | 177.9° | 180.0° |
| C | N13 | C49 | C50 | 78.7° | 90.0° |
| C | N13 | C49 | H49 | 41.7° | 30.1° |
| C | N13 | C49 | H49A | 160.9° | 150.0° |
| O13 | C60 | C59 | C51 | 179.9° | 0.0° |
| O13 | C60 | O12 | C59 | 179.8° | 180.0° |
| O13 | C60 | O12 | HO12 | 0.0° | 0.0° |
| O13 | C60 | C59 | H59 | 59.6° | 120.0° |
| O13 | C60 | C59 | H59A | 59.3° | 120.0° |
| C | OXT | C54 | C53 | 44.2° | 150.0° |
| C | OXT | C54 | C55 | 80.8° | 90.0° |
| C | OXT | C54 | H54 | 163.9° | 30.0° |
| C49 | C50 | C51 | H50 | 120.5° | 120.0° |
| C49 | C50 | C51 | H50A | 120.5° | 120.0° |
| C49 | C50 | C51 | C59 | 179.9° | 180.0° |
| C50 | C49 | H49 | H49A | 118.8° | 120.0° |
| C49 | C50 | H50 | H50A | 118.5° | 120.0° |
| C49 | C50 | C51 | H51 | 59.4° | 60.0° |
| C49 | C50 | C51 | H51A | 59.6° | 60.0° |
| C50 | C51 | C59 | H51 | 120.6° | 120.0° |
| C50 | C51 | C59 | H51A | 120.5° | 120.0° |
| C50 | C51 | C59 | C60 | 179.1° | 180.0° |
| C51 | C50 | C49 | H49 | 60.4° | 60.0° |
| C51 | C50 | C49 | H49A | 58.8° | 60.0° |
| C51 | C50 | H50 | H50A | 118.5° | 120.0° |
| C50 | C51 | H51 | H51A | 118.3° | 119.9° |
| C50 | C51 | C59 | H59 | 58.5° | 60.0° |
| C50 | C51 | C59 | H59A | 60.3° | 60.0° |
| C57 | C52 | C53 | H52 | 121.2° | 120.0° |
| C57 | C52 | C53 | H52A | 121.2° | 120.0° |
| C57 | C52 | C53 | C54 | 51.9° | 60.0° |
| C52 | C57 | C56 | C55 | 44.0° | 60.0° |
| C52 | C57 | C56 | C58 | 122.4° | 120.0° |
| C52 | C57 | C56 | H57 | 117.7° | 120.0° |
| C52 | C57 | C58 | H57 | 119.1° | 120.0° |
| C52 | C57 | C58 | O10 | 48.3° | 0.0° |
| C52 | C57 | C58 | O11 | 131.9° | 180.0° |
| C57 | C52 | H52 | H52A | 116.2° | 120.0° |
| C57 | C52 | C53 | H53 | 68.1° | 60.0° |
| C57 | C52 | C53 | H53A | 171.8° | 180.0° |
| C52 | C57 | C56 | H56 | 164.8° | 180.0° |
| C52 | C57 | C56 | H56A | 76.8° | 60.0° |
| C52 | C53 | C54 | H53 | 120.0° | 119.9° |
| C52 | C53 | C54 | H53A | 120.0° | 120.0° |
| C52 | C53 | C54 | C55 | 58.1° | 60.0° |
| C53 | C52 | C57 | C56 | 44.1° | 60.0° |
| C53 | C52 | C57 | C58 | 166.6° | 180.0° |
| C53 | C52 | H52 | H52A | 116.2° | 120.0° |
| C52 | C53 | H53 | H53A | 120.1° | 120.0° |
| C52 | C53 | C54 | H54 | 57.4° | 60.0° |
| C53 | C52 | C57 | H57 | 73.8° | 60.0° |
| C53 | C54 | C55 | H54 | 115.5° | 120.0° |
| C53 | C54 | C55 | C56 | 60.7° | 60.0° |
| C54 | C53 | C52 | H52 | 173.0° | 60.1° |
| C54 | C53 | C52 | H52A | 69.4° | 180.0° |
| C54 | C53 | H53 | H53A | 120.1° | 120.0° |
| C53 | C54 | C55 | H55 | 59.6° | 60.0° |
| C53 | C54 | C55 | H55A | 179.1° | 180.0° |
| C54 | C55 | C56 | H55 | 120.3° | 120.0° |
| C54 | C55 | C56 | H55A | 120.2° | 119.9° |
| C54 | C55 | C56 | C57 | 54.6° | 60.0° |
| C55 | C54 | C53 | H53 | 61.9° | 60.0° |
| C55 | C54 | C53 | H53A | 178.1° | 180.0° |
| C54 | C55 | H55 | H55A | 119.2° | 120.0° |
| C54 | C55 | C56 | H56 | 175.4° | 180.0° |
| C54 | C55 | C56 | H56A | 66.2° | 59.9° |
| C55 | C56 | C57 | H56 | 120.8° | 119.9° |
| C55 | C56 | C57 | H56A | 120.8° | 120.0° |
| C55 | C56 | C57 | C58 | 166.5° | 180.0° |
| C56 | C55 | C54 | H54 | 54.8° | 60.0° |
| C56 | C55 | H55 | H55A | 119.2° | 120.0° |
| C55 | C56 | H56 | H56A | 117.5° | 120.0° |
| C55 | C56 | C57 | H57 | 73.6° | 60.0° |
| C56 | C57 | C58 | H57 | 119.5° | 120.0° |
| C56 | C57 | C58 | O10 | 73.0° | 120.0° |
| C56 | C57 | C58 | O11 | 106.8° | 60.0° |
| C56 | C57 | C52 | H52 | 165.3° | 60.0° |
| C56 | C57 | C52 | H52A | 77.1° | 180.0° |
| C57 | C56 | C55 | H55 | 65.6° | 60.0° |
| C57 | C56 | C55 | H55A | 174.9° | 179.9° |
| C57 | C56 | H56 | H56A | 117.5° | 120.0° |
| C57 | C58 | O10 | O11 | 179.8° | 180.0° |
| C57 | C58 | O11 | HO11 | 179.8° | 180.0° |
| C58 | C57 | C52 | H52 | 72.2° | 60.0° |
| C58 | C57 | C52 | H52A | 45.4° | 60.0° |
| C58 | C57 | C56 | H56 | 72.7° | 60.0° |
| C58 | C57 | C56 | H56A | 45.6° | 60.0° |
| O10 | C58 | O11 | HO11 | 0.0° | 0.0° |
| O10 | C58 | C57 | H57 | 167.4° | 120.0° |
| O11 | C58 | C57 | H57 | 12.7° | 60.0° |
| C51 | C59 | C60 | O12 | 0.3° | 180.0° |
| C51 | C59 | C60 | H59 | 120.6° | 120.0° |
| C51 | C59 | C60 | H59A | 120.5° | 120.0° |
| C59 | C51 | C50 | H50 | 59.6° | 60.0° |
| C59 | C51 | C50 | H50A | 59.5° | 60.0° |
| C59 | C51 | H51 | H51A | 118.3° | 120.0° |
| C51 | C59 | H59 | H59A | 118.3° | 120.0° |
| O12 | C60 | C59 | H59 | 120.3° | 60.0° |
| O12 | C60 | C59 | H59A | 120.8° | 60.0° |
| C59 | C60 | O12 | HO12 | 179.8° | 180.0° |
| C60 | C59 | C51 | H51 | 60.3° | 60.0° |
| C60 | C59 | C51 | H51A | 58.6° | 60.0° |
| C60 | C59 | H59 | H59A | 118.3° | 120.0° |
| HB | CB | SG | HSG | 0.0° | 0.0° |
| H49 | C49 | C50 | H50 | 179.1° | 180.0° |
| H49 | C49 | C50 | H50A | 60.1° | 60.0° |
| H49A | C49 | C50 | H50 | 61.7° | 60.1° |
| H49A | C49 | C50 | H50A | 179.3° | 180.0° |
| H50 | C50 | C51 | H51 | 179.8° | 180.0° |
| H50 | C50 | C51 | H51A | 60.9° | 60.0° |
| H50A | C50 | C51 | H51 | 61.1° | 60.0° |
| H50A | C50 | C51 | H51A | 180.0° | 180.0° |
| H51 | C51 | C59 | H59 | 179.1° | 180.0° |
| H51 | C51 | C59 | H59A | 60.2° | 60.1° |
| H51A | C51 | C59 | H59 | 62.0° | 60.0° |
| H51A | C51 | C59 | H59A | 179.1° | 179.9° |
| H52 | C52 | C53 | H53 | 53.0° | 179.9° |
| H52 | C52 | C53 | H53A | 67.0° | 60.0° |
| H52 | C52 | C57 | H57 | 47.4° | 180.0° |
| H52A | C52 | C53 | H53 | 170.6° | 60.0° |
| H52A | C52 | C53 | H53A | 50.6° | 60.0° |
| H52A | C52 | C57 | H57 | 165.0° | 60.0° |
| H53 | C53 | C54 | H54 | 177.4° | 180.0° |
| H53A | C53 | C54 | H54 | 62.6° | 60.0° |
| H54 | C54 | C55 | H55 | 175.0° | NaN° |
| H54 | C54 | C55 | H55A | 65.5° | 60.0° |
| H55 | C55 | C56 | H56 | 55.2° | 60.0° |
| H55 | C55 | C56 | H56A | 173.6° | 179.9° |
| H55A | C55 | C56 | H56 | 64.3° | 60.1° |
| H55A | C55 | C56 | H56A | 54.1° | 60.0° |
| H56 | C56 | C57 | H57 | 47.2° | 60.0° |
| H56A | C56 | C57 | H57 | 165.5° | 180.0° |
