7JA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | OXT | sing | 1.34Å | 1.19Å | |
| N | CA | sing | 1.46Å | 1.44Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O | C | doub | 1.21Å | 1.40Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG1 | sing | 1.53Å | 1.52Å | |
| CB | CG2 | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C03 | C04 | doub | 1.31Å | 1.31Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H05A | sing | 1.09Å | 1.10Å | |
| C06 | C11 | sing | 1.54Å | 1.51Å | |
| C06 | C07 | sing | 1.52Å | 1.52Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C07 | O08 | doub | 1.21Å | 1.17Å | |
| C07 | C09 | sing | 1.52Å | 1.52Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C10 | C09 | sing | 1.55Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.54Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | N | sing | 1.35Å | 1.45Å | |
| O14 | C13 | doub | 1.21Å | 1.18Å | |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1A | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.53Å | 1.52Å | |
| CG1 | HG1 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2A | sing | 1.09Å | 1.10Å | |
| CG2 | HG2B | sing | 1.09Å | 1.10Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å | |
| C01 | H26 | sing | 1.09Å | 1.10Å | |
| C02 | H27 | sing | 1.09Å | 1.10Å | |
| CD1 | H28 | sing | 1.09Å | 1.10Å | |
| CG1 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 118.9° | 120.0° |
| OXT | C | CA | 122.1° | 120.0° |
| C | OXT | HOXT | 109.5° | 116.9° |
| CA | N | HN | 118.0° | 120.0° |
| N | CA | C | 110.8° | 109.4° |
| N | CA | CB | 99.5° | 109.5° |
| N | CA | HA | 113.9° | 109.5° |
| CA | N | C13 | 124.0° | 120.0° |
| HN | N | C13 | 118.0° | 120.0° |
| O | C | CA | 118.5° | 120.0° |
| C | CA | CB | 106.2° | 109.5° |
| C | CA | HA | 108.0° | 109.5° |
| CB | CA | HA | 117.9° | 109.5° |
| CA | CB | CG1 | 110.8° | 109.4° |
| CA | CB | CG2 | 106.5° | 109.5° |
| CA | CB | HB | 111.0° | 109.4° |
| CG1 | CB | CG2 | 110.8° | 109.5° |
| CG1 | CB | HB | 106.7° | 109.5° |
| CB | CG1 | CD1 | 115.3° | 109.4° |
| CB | CG1 | HG1 | 107.6° | 109.5° |
| CB | CG1 | H29 | 107.6° | 109.5° |
| CG2 | CB | HB | 111.1° | 109.5° |
| CB | CG2 | HG2 | 109.5° | 109.5° |
| CB | CG2 | HG2A | 109.5° | 109.5° |
| CB | CG2 | HG2B | 109.5° | 109.5° |
| C02 | C01 | H01 | 109.5° | 109.4° |
| C02 | C01 | H01A | 109.5° | 109.5° |
| C01 | C02 | C03 | 119.7° | 109.5° |
| C01 | C02 | H02 | 106.2° | 109.5° |
| C02 | C01 | H26 | 109.5° | 109.5° |
| C01 | C02 | H27 | 106.2° | 109.5° |
| H01 | C01 | H01A | 109.4° | 109.4° |
| H01 | C01 | H26 | 109.5° | 109.5° |
| H01A | C01 | H26 | 109.5° | 109.5° |
| C03 | C02 | H02 | 106.2° | 109.5° |
| C02 | C03 | C04 | 118.6° | 120.0° |
| C02 | C03 | H03 | 120.7° | 120.0° |
| C03 | C02 | H27 | 106.2° | 109.5° |
| H02 | C02 | H27 | 112.5° | 109.4° |
| C04 | C03 | H03 | 120.7° | 120.0° |
| C03 | C04 | C05 | 125.6° | 120.0° |
| C03 | C04 | H04 | 117.2° | 120.0° |
| C05 | C04 | H04 | 117.2° | 120.0° |
| C04 | C05 | C06 | 120.0° | 109.5° |
| C04 | C05 | H05 | 106.1° | 109.5° |
| C04 | C05 | H05A | 106.1° | 109.5° |
| C06 | C05 | H05 | 106.1° | 109.5° |
| C06 | C05 | H05A | 106.1° | 109.5° |
| C05 | C06 | C11 | 111.9° | 110.0° |
| C05 | C06 | C07 | 111.1° | 110.0° |
| C05 | C06 | H06 | 104.9° | 110.0° |
| H05 | C05 | H05A | 112.6° | 109.4° |
| C11 | C06 | C07 | 103.3° | 106.8° |
| C11 | C06 | H06 | 112.5° | 110.0° |
| C06 | C11 | C10 | 103.2° | 106.0° |
| C06 | C11 | H11 | 112.6° | 110.1° |
| C06 | C11 | C12 | 110.6° | 110.1° |
| C07 | C06 | H06 | 113.3° | 110.0° |
| C06 | C07 | O08 | 126.3° | 127.6° |
| C06 | C07 | C09 | 109.8° | 104.8° |
| O08 | C07 | C09 | 123.8° | 127.6° |
| C07 | C09 | H09 | 111.8° | 110.7° |
| C07 | C09 | H09A | 111.9° | 110.7° |
| C07 | C09 | C10 | 102.5° | 103.0° |
| H09 | C09 | H09A | 107.0° | 110.6° |
| H09 | C09 | C10 | 111.9° | 110.8° |
| H09A | C09 | C10 | 111.9° | 110.9° |
| C09 | C10 | H10 | 111.0° | 110.6° |
| C09 | C10 | H10A | 111.0° | 110.6° |
| C09 | C10 | C11 | 105.0° | 103.7° |
| H10 | C10 | H10A | 107.9° | 110.5° |
| H10 | C10 | C11 | 111.0° | 110.5° |
| H10A | C10 | C11 | 111.0° | 110.7° |
| C10 | C11 | H11 | 114.2° | 110.1° |
| C10 | C11 | C12 | 108.9° | 110.1° |
| H11 | C11 | C12 | 107.3° | 110.2° |
| C11 | C12 | C13 | 120.6° | 109.5° |
| C11 | C12 | H12 | 105.9° | 109.5° |
| C11 | C12 | H12A | 105.9° | 109.4° |
| C13 | C12 | H12 | 105.9° | 109.5° |
| C13 | C12 | H12A | 105.9° | 109.5° |
| C12 | C13 | N | 118.5° | 120.0° |
| C12 | C13 | O14 | 116.3° | 120.0° |
| H12 | C12 | H12A | 112.8° | 109.5° |
| N | C13 | O14 | 121.9° | 120.0° |
| HD1 | CD1 | HD1A | 109.5° | 109.5° |
| HD1 | CD1 | CG1 | 109.5° | 109.5° |
| HD1 | CD1 | H28 | 109.5° | 109.5° |
| HD1A | CD1 | CG1 | 109.5° | 109.5° |
| HD1A | CD1 | H28 | 109.5° | 109.5° |
| CD1 | CG1 | HG1 | 107.6° | 109.5° |
| CG1 | CD1 | H28 | 109.4° | 109.4° |
| CD1 | CG1 | H29 | 107.6° | 109.5° |
| HG1 | CG1 | H29 | 111.3° | 109.5° |
| HG2 | CG2 | HG2A | 109.4° | 109.5° |
| HG2 | CG2 | HG2B | 109.5° | 109.5° |
| HG2A | CG2 | HG2B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | N | 29.8° | 180.0° |
| OXT | C | O | CA | 172.8° | 179.8° |
| OXT | C | CA | CB | 77.3° | 60.1° |
| OXT | C | CA | HA | 155.2° | 60.0° |
| CA | N | HN | C13 | 180.0° | 180.0° |
| N | CA | C | O | 157.6° | 0.3° |
| N | CA | C | CB | 107.1° | 120.0° |
| N | CA | C | HA | 125.4° | 120.0° |
| N | CA | CB | HA | 123.7° | 120.0° |
| N | CA | CB | CG1 | 156.8° | 175.0° |
| N | CA | CB | CG2 | 82.6° | 65.0° |
| N | CA | CB | HB | 38.4° | 55.1° |
| CA | N | C13 | C12 | 174.3° | 179.9° |
| CA | N | C13 | O14 | 15.7° | 0.0° |
| HN | N | CA | C | 143.6° | 95.0° |
| HN | N | CA | CB | 32.1° | 24.9° |
| HN | N | CA | HA | 94.4° | 145.0° |
| HN | N | C13 | C12 | 5.6° | 0.0° |
| HN | N | C13 | O14 | 164.3° | 179.9° |
| O | C | CA | CB | 95.3° | 119.7° |
| O | C | CA | HA | 32.2° | 120.3° |
| O | C | OXT | HOXT | 0.0° | 0.1° |
| C | CA | CB | HA | 121.3° | 120.0° |
| C | CA | CB | CG1 | 88.1° | 65.0° |
| C | CA | CB | CG2 | 32.4° | 54.9° |
| C | CA | CB | HB | 153.4° | 175.0° |
| C | CA | N | C13 | 36.4° | 85.0° |
| CA | C | OXT | HOXT | 172.6° | 179.7° |
| CA | CB | CG1 | CG2 | 117.9° | 120.0° |
| CA | CB | CG1 | HB | 121.0° | 119.9° |
| CA | CB | CG2 | HB | 121.0° | 120.0° |
| CB | CA | N | C13 | 147.9° | 155.0° |
| CA | CB | CG1 | CD1 | 170.0° | 175.0° |
| CA | CB | CG1 | HG1 | 70.0° | 65.0° |
| CA | CB | CG2 | HG2 | 180.0° | 60.0° |
| CA | CB | CG2 | HG2A | 60.0° | 180.0° |
| CA | CB | CG2 | HG2B | 60.0° | 60.0° |
| CA | CB | CG1 | H29 | 50.0° | 55.0° |
| HA | CA | CB | CG1 | 33.2° | 55.0° |
| HA | CA | CB | CG2 | 153.7° | 175.0° |
| HA | CA | CB | HB | 85.3° | 65.0° |
| HA | CA | N | C13 | 85.6° | 35.0° |
| CG1 | CB | CG2 | HB | 118.4° | 120.0° |
| CB | CG1 | CD1 | HD1 | 180.0° | 60.0° |
| CB | CG1 | CD1 | HD1A | 60.0° | 60.0° |
| CB | CG1 | CD1 | HG1 | 120.0° | 120.0° |
| CB | CG1 | CD1 | H29 | 120.0° | 120.0° |
| CB | CG1 | HG1 | H29 | 117.6° | 120.0° |
| CG1 | CB | CG2 | HG2 | 59.4° | 60.0° |
| CG1 | CB | CG2 | HG2A | 179.4° | 60.1° |
| CG1 | CB | CG2 | HG2B | 60.6° | 180.0° |
| CB | CG1 | CD1 | H28 | 60.0° | 180.0° |
| CG2 | CB | CG1 | CD1 | 72.1° | 65.0° |
| CG2 | CB | CG1 | HG1 | 47.9° | 55.0° |
| CB | CG2 | HG2 | HG2A | 120.0° | 120.0° |
| CB | CG2 | HG2 | HG2B | 120.0° | 120.0° |
| CB | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| CG2 | CB | CG1 | H29 | 167.9° | 175.0° |
| HB | CB | CG1 | CD1 | 49.0° | 55.1° |
| HB | CB | CG1 | HG1 | 169.0° | 175.0° |
| HB | CB | CG2 | HG2 | 59.0° | 180.0° |
| HB | CB | CG2 | HG2A | 61.0° | 60.0° |
| HB | CB | CG2 | HG2B | 179.0° | 60.0° |
| HB | CB | CG1 | H29 | 71.0° | 64.9° |
| C02 | C01 | H01 | H01A | 120.0° | 119.9° |
| C02 | C01 | H01 | H26 | 120.0° | 120.0° |
| C02 | C01 | H01A | H26 | 120.0° | 120.0° |
| C01 | C02 | C03 | H02 | 120.0° | 120.0° |
| C01 | C02 | C03 | H27 | 120.0° | 120.0° |
| C01 | C02 | H02 | H27 | 115.8° | 120.0° |
| C01 | C02 | C03 | C04 | 94.8° | 127.6° |
| C01 | C02 | C03 | H03 | 85.2° | 52.4° |
| H01 | C01 | H01A | H26 | 120.0° | 120.0° |
| H01 | C01 | C02 | C03 | 180.0° | 180.0° |
| H01 | C01 | C02 | H02 | 60.0° | 60.0° |
| H01 | C01 | C02 | H27 | 60.0° | 60.0° |
| H01A | C01 | C02 | C03 | 60.0° | 60.0° |
| H01A | C01 | C02 | H02 | 60.0° | 60.0° |
| H01A | C01 | C02 | H27 | 180.0° | 180.0° |
| C03 | C02 | H02 | H27 | 115.8° | 120.0° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 13.0° | 7.6° |
| C02 | C03 | C04 | H04 | 167.0° | 172.4° |
| C03 | C02 | C01 | H26 | 60.0° | 60.0° |
| H02 | C02 | C03 | C04 | 25.2° | 7.6° |
| H02 | C02 | C03 | H03 | 154.7° | 172.4° |
| H02 | C02 | C01 | H26 | 180.0° | 179.9° |
| C03 | C04 | C05 | H04 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 120.6° | 126.4° |
| C03 | C04 | C05 | H05 | 119.4° | 113.6° |
| C03 | C04 | C05 | H05A | 0.6° | 6.4° |
| C04 | C03 | C02 | H27 | 145.2° | 112.4° |
| H03 | C03 | C04 | C05 | 167.0° | 172.4° |
| H03 | C03 | C04 | H04 | 13.1° | 7.5° |
| H03 | C03 | C02 | H27 | 34.8° | 67.6° |
| C04 | C05 | C06 | H05 | 120.0° | 120.0° |
| C04 | C05 | C06 | H05A | 120.0° | 120.0° |
| C04 | C05 | H05 | H05A | 115.7° | 120.0° |
| C04 | C05 | C06 | C11 | 46.4° | 175.0° |
| C04 | C05 | C06 | C07 | 161.4° | 67.7° |
| C04 | C05 | C06 | H06 | 75.8° | 53.7° |
| H04 | C04 | C05 | C06 | 59.5° | 53.5° |
| H04 | C04 | C05 | H05 | 60.5° | 66.4° |
| H04 | C04 | C05 | H05A | 179.4° | 173.6° |
| C06 | C05 | H05 | H05A | 115.7° | 120.0° |
| C05 | C06 | C11 | C07 | 119.6° | 119.3° |
| C05 | C06 | C11 | H06 | 117.8° | 121.3° |
| C05 | C06 | C07 | H06 | 117.8° | 121.3° |
| C05 | C06 | C07 | O08 | 72.7° | 36.5° |
| C05 | C06 | C07 | C09 | 105.6° | 143.5° |
| C05 | C06 | C11 | C10 | 86.1° | 119.8° |
| C05 | C06 | C11 | H11 | 150.3° | 121.1° |
| C05 | C06 | C11 | C12 | 30.3° | 0.6° |
| H05 | C05 | C06 | C11 | 73.6° | 55.0° |
| H05 | C05 | C06 | C07 | 41.4° | 172.3° |
| H05 | C05 | C06 | H06 | 164.2° | 66.3° |
| H05A | C05 | C06 | C11 | 166.4° | 65.0° |
| H05A | C05 | C06 | C07 | 78.6° | 52.3° |
| H05A | C05 | C06 | H06 | 44.2° | 173.7° |
| C11 | C06 | C07 | H06 | 122.0° | 119.4° |
| C11 | C06 | C07 | O08 | 167.1° | 155.8° |
| C11 | C06 | C07 | C09 | 14.5° | 24.2° |
| C06 | C11 | C10 | C09 | 41.3° | 23.0° |
| C06 | C11 | C10 | H10 | 78.7° | 95.6° |
| C06 | C11 | C10 | H10A | 161.3° | 141.6° |
| C06 | C11 | C10 | H11 | 122.6° | 119.1° |
| C06 | C11 | C10 | C12 | 117.5° | 119.2° |
| C06 | C11 | H11 | C12 | 121.9° | 121.7° |
| C06 | C11 | C12 | C13 | 172.2° | 175.0° |
| C06 | C11 | C12 | H12 | 52.2° | 55.0° |
| C06 | C11 | C12 | H12A | 67.8° | 65.0° |
| C06 | C07 | O08 | C09 | 178.1° | 180.0° |
| C06 | C07 | C09 | H09 | 130.2° | 156.8° |
| C06 | C07 | C09 | H09A | 109.8° | 80.1° |
| C06 | C07 | C09 | C10 | 10.2° | 38.4° |
| C07 | C06 | C11 | C10 | 33.5° | 0.5° |
| C07 | C06 | C11 | H11 | 90.1° | 119.6° |
| C07 | C06 | C11 | C12 | 149.9° | 118.7° |
| H06 | C06 | C07 | O08 | 45.1° | 84.8° |
| H06 | C06 | C07 | C09 | 136.5° | 95.1° |
| H06 | C06 | C11 | C10 | 156.1° | 118.9° |
| H06 | C06 | C11 | H11 | 32.5° | 0.2° |
| H06 | C06 | C11 | C12 | 87.6° | 121.9° |
| O08 | C07 | C09 | H09 | 48.2° | 23.2° |
| O08 | C07 | C09 | H09A | 71.8° | 99.9° |
| O08 | C07 | C09 | C10 | 168.2° | 141.6° |
| C07 | C09 | H09 | H09A | 122.8° | 123.1° |
| C07 | C09 | H09 | C10 | 114.3° | 113.6° |
| C07 | C09 | H09A | C10 | 114.3° | 113.6° |
| C07 | C09 | C10 | H10 | 88.7° | 80.8° |
| C07 | C09 | C10 | H10A | 151.3° | 156.4° |
| C07 | C09 | C10 | C11 | 31.3° | 37.7° |
| H09 | C09 | H09A | C10 | 122.8° | 123.3° |
| H09 | C09 | C10 | H10 | 31.3° | 37.6° |
| H09 | C09 | C10 | H10A | 88.7° | 85.2° |
| H09 | C09 | C10 | C11 | 151.3° | 156.1° |
| H09A | C09 | C10 | H10 | 151.3° | 160.8° |
| H09A | C09 | C10 | H10A | 31.3° | 38.0° |
| H09A | C09 | C10 | C11 | 88.7° | 80.7° |
| C09 | C10 | H10 | H10A | 121.8° | 122.9° |
| C09 | C10 | H10 | C11 | 116.4° | 114.2° |
| C09 | C10 | H10A | C11 | 116.4° | 114.4° |
| C09 | C10 | C11 | H11 | 81.3° | 96.2° |
| C09 | C10 | C11 | C12 | 158.8° | 142.1° |
| H10 | C10 | H10A | C11 | 121.8° | 122.8° |
| H10 | C10 | C11 | H11 | 158.7° | 145.3° |
| H10 | C10 | C11 | C12 | 38.8° | 23.6° |
| H10A | C10 | C11 | H11 | 38.7° | 22.5° |
| H10A | C10 | C11 | C12 | 81.2° | 99.2° |
| C10 | C11 | H11 | C12 | 120.8° | 121.7° |
| C10 | C11 | C12 | C13 | 75.0° | 68.3° |
| C10 | C11 | C12 | H12 | 165.0° | 171.6° |
| C10 | C11 | C12 | H12A | 45.0° | 51.6° |
| H11 | C11 | C12 | C13 | 49.0° | 53.3° |
| H11 | C11 | C12 | H12 | 70.9° | 66.7° |
| H11 | C11 | C12 | H12A | 169.0° | 173.3° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 119.9° |
| C11 | C12 | H12 | H12A | 115.4° | 119.9° |
| C11 | C12 | C13 | N | 48.1° | 180.0° |
| C11 | C12 | C13 | O14 | 152.0° | 0.1° |
| C13 | C12 | H12 | H12A | 115.4° | 120.1° |
| C12 | C13 | N | O14 | 158.7° | 179.9° |
| H12 | C12 | C13 | N | 168.1° | 60.0° |
| H12 | C12 | C13 | O14 | 32.0° | 120.0° |
| H12A | C12 | C13 | N | 71.9° | 60.1° |
| H12A | C12 | C13 | O14 | 87.9° | 120.0° |
| HD1 | CD1 | HD1A | CG1 | 120.0° | 120.0° |
| HD1 | CD1 | HD1A | H28 | 120.0° | 120.0° |
| HD1 | CD1 | CG1 | H28 | 120.0° | 120.0° |
| HD1 | CD1 | CG1 | HG1 | 60.0° | NaN° |
| HD1 | CD1 | CG1 | H29 | 60.0° | 60.0° |
| HD1A | CD1 | CG1 | H28 | 120.0° | 120.0° |
| HD1A | CD1 | CG1 | HG1 | 180.0° | 60.0° |
| HD1A | CD1 | CG1 | H29 | 60.0° | 180.0° |
| CD1 | CG1 | HG1 | H29 | 117.6° | 120.0° |
| HG1 | CG1 | CD1 | H28 | 60.0° | 60.0° |
| HG2 | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| H26 | C01 | C02 | H27 | 60.0° | 60.0° |
| H28 | CD1 | CG1 | H29 | 180.0° | 60.0° |
