V9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C54 | N | sing | 1.47Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | C40 | sing | 1.47Å | 1.44Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.43Å | |
| C49 | C43 | sing | 1.53Å | 1.44Å | |
| C42 | C43 | sing | 1.53Å | 1.45Å | |
| C47 | C45 | sing | 1.53Å | 1.44Å | |
| CB | CG2 | sing | 1.53Å | 1.44Å | |
| CB | CG1 | sing | 1.53Å | 1.56Å | |
| C43 | C44 | sing | 1.53Å | 1.46Å | |
| C45 | C44 | sing | 1.53Å | 1.46Å | |
| C45 | C46 | sing | 1.53Å | 1.44Å | |
| C45 | C48 | sing | 1.53Å | 1.44Å | |
| C | OXT | sing | 1.34Å | 1.44Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H543 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C54 | N | CA | 110.1° | 109.5° |
| C54 | N | C40 | 109.4° | 109.5° |
| C54 | N | H | 109.9° | 109.5° |
| N | C54 | H542 | 109.5° | 109.5° |
| N | C54 | H543 | 109.5° | 109.5° |
| N | C54 | H541 | 109.5° | 109.5° |
| O | C | CA | 124.0° | 120.0° |
| O | C | OXT | 121.8° | 120.0° |
| C | CA | N | 110.6° | 109.5° |
| C | CA | CB | 111.5° | 109.5° |
| CA | C | OXT | 114.2° | 120.0° |
| C | CA | HA | 105.9° | 109.4° |
| CA | N | C40 | 106.9° | 109.4° |
| N | CA | CB | 115.4° | 109.5° |
| N | CA | HA | 106.8° | 109.5° |
| CA | N | H | 110.2° | 109.4° |
| N | C40 | C42 | 113.5° | 109.4° |
| C40 | N | H | 110.3° | 109.5° |
| N | C40 | H401 | 108.5° | 109.5° |
| N | C40 | H402 | 108.5° | 109.5° |
| CA | CB | CG2 | 109.6° | 109.5° |
| CA | CB | CG1 | 114.2° | 109.5° |
| CB | CA | HA | 106.1° | 109.5° |
| CA | CB | HB | 108.2° | 109.5° |
| C40 | C42 | C43 | 111.6° | 109.5° |
| C42 | C40 | H401 | 108.4° | 109.5° |
| C42 | C40 | H402 | 108.5° | 109.4° |
| C40 | C42 | H422 | 108.9° | 109.5° |
| C40 | C42 | H421 | 108.9° | 109.4° |
| C49 | C43 | C42 | 113.9° | 109.5° |
| C49 | C43 | C44 | 113.9° | 109.4° |
| C49 | C43 | H431 | 105.6° | 109.5° |
| C43 | C49 | H493 | 109.5° | 109.5° |
| C43 | C49 | H491 | 109.5° | 109.5° |
| C43 | C49 | H492 | 109.5° | 109.5° |
| C42 | C43 | C44 | 111.5° | 109.5° |
| C43 | C42 | H422 | 108.9° | 109.5° |
| C43 | C42 | H421 | 108.9° | 109.5° |
| C42 | C43 | H431 | 105.5° | 109.5° |
| C47 | C45 | C44 | 116.4° | 109.5° |
| C47 | C45 | C46 | 109.8° | 109.5° |
| C47 | C45 | C48 | 105.7° | 109.5° |
| C45 | C47 | H472 | 109.5° | 109.4° |
| C45 | C47 | H473 | 109.5° | 109.5° |
| C45 | C47 | H471 | 109.5° | 109.5° |
| CG2 | CB | CG1 | 107.6° | 109.5° |
| CG2 | CB | HB | 109.3° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG23 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.5° |
| CG1 | CB | HB | 107.7° | 109.5° |
| CB | CG1 | HG13 | 109.5° | 109.5° |
| CB | CG1 | HG11 | 109.4° | 109.5° |
| CB | CG1 | HG12 | 109.5° | 109.5° |
| C43 | C44 | C45 | 124.8° | 109.5° |
| C44 | C43 | H431 | 105.4° | 109.5° |
| C43 | C44 | H442 | 105.5° | 109.5° |
| C43 | C44 | H441 | 105.5° | 109.5° |
| C44 | C45 | C46 | 113.9° | 109.5° |
| C44 | C45 | C48 | 104.3° | 109.5° |
| C45 | C44 | H442 | 105.5° | 109.4° |
| C45 | C44 | H441 | 105.5° | 109.5° |
| C46 | C45 | C48 | 105.6° | 109.4° |
| C45 | C46 | H463 | 109.5° | 109.4° |
| C45 | C46 | H462 | 109.5° | 109.4° |
| C45 | C46 | H461 | 109.5° | 109.5° |
| C45 | C48 | H482 | 109.5° | 109.5° |
| C45 | C48 | H483 | 109.5° | 109.5° |
| C45 | C48 | H481 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 117.1° |
| HG13 | CG1 | HG11 | 109.5° | 109.4° |
| HG13 | CG1 | HG12 | 109.5° | 109.4° |
| HG11 | CG1 | HG12 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H442 | C44 | H441 | 109.5° | 109.5° |
| H463 | C46 | H462 | 109.5° | 109.5° |
| H463 | C46 | H461 | 109.5° | 109.5° |
| H462 | C46 | H461 | 109.5° | 109.5° |
| H472 | C47 | H473 | 109.4° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.5° |
| H473 | C47 | H471 | 109.5° | 109.5° |
| H482 | C48 | H483 | 109.5° | 109.5° |
| H482 | C48 | H481 | 109.4° | 109.5° |
| H483 | C48 | H481 | 109.5° | 109.5° |
| H493 | C49 | H491 | 109.4° | 109.5° |
| H493 | C49 | H492 | 109.5° | 109.4° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H542 | C54 | H543 | 109.5° | 109.5° |
| H542 | C54 | H541 | 109.5° | 109.5° |
| H543 | C54 | H541 | 109.5° | 109.4° |
| HG21 | CG2 | HG23 | 109.4° | 109.4° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG23 | CG2 | HG22 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C54 | N | CA | C | 38.7° | 63.6° |
| C54 | N | CA | C40 | 118.7° | 120.0° |
| C54 | N | CA | H | 121.4° | 120.0° |
| C54 | N | C40 | H | 121.0° | 120.0° |
| C54 | N | CA | CB | 166.4° | 56.4° |
| C54 | N | C40 | C42 | 126.0° | 64.6° |
| C54 | N | CA | HA | 76.0° | 176.4° |
| C54 | N | C40 | H401 | 113.4° | 175.4° |
| C54 | N | C40 | H402 | 5.4° | 55.3° |
| N | C54 | H542 | H543 | 120.0° | 120.0° |
| N | C54 | H542 | H541 | 120.0° | 120.0° |
| N | C54 | H543 | H541 | 120.0° | 120.0° |
| O | C | CA | OXT | 179.1° | 179.8° |
| O | C | CA | N | 61.3° | 9.4° |
| O | C | CA | CB | 68.4° | 110.6° |
| O | C | CA | HA | 176.7° | 129.4° |
| O | C | OXT | HXT | 0.0° | 0.2° |
| C | CA | N | CB | 127.6° | 120.0° |
| C | CA | N | HA | 114.8° | 120.0° |
| C | CA | N | C40 | 157.4° | 56.4° |
| C | CA | CB | HA | 114.8° | 119.9° |
| C | CA | CB | CG2 | 64.9° | 174.5° |
| C | CA | CB | CG1 | 55.9° | 65.5° |
| C | CA | CB | HB | 175.9° | 54.5° |
| C | CA | N | H | 82.7° | 176.4° |
| CA | C | OXT | HXT | 179.1° | 180.0° |
| CA | N | C40 | H | 119.8° | 120.0° |
| N | CA | CB | HA | 118.0° | 120.1° |
| CA | N | C40 | C42 | 114.8° | 175.4° |
| N | CA | CB | CG2 | 167.9° | 54.5° |
| N | CA | CB | CG1 | 71.3° | 174.5° |
| N | CA | C | OXT | 117.7° | 170.4° |
| N | CA | CB | HB | 48.7° | 65.5° |
| CA | N | C40 | H401 | 5.8° | 55.4° |
| CA | N | C40 | H402 | 124.6° | 64.7° |
| CA | N | C54 | H542 | 180.0° | 175.4° |
| CA | N | C54 | H543 | 60.0° | 55.3° |
| CA | N | C54 | H541 | 60.0° | 64.6° |
| C40 | N | CA | CB | 74.9° | 176.4° |
| N | C40 | C42 | H401 | 120.6° | 120.0° |
| N | C40 | C42 | H402 | 120.6° | 120.0° |
| N | C40 | C42 | C43 | 172.7° | 180.0° |
| C40 | N | CA | HA | 42.7° | 63.5° |
| N | C40 | H401 | H402 | 118.2° | 120.0° |
| N | C40 | C42 | H422 | 67.0° | 60.0° |
| N | C40 | C42 | H421 | 52.4° | 60.0° |
| C40 | N | C54 | H542 | 62.8° | 55.4° |
| C40 | N | C54 | H543 | 57.2° | 64.6° |
| C40 | N | C54 | H541 | 177.2° | 175.4° |
| CA | CB | CG2 | CG1 | 124.8° | 120.0° |
| CA | CB | CG2 | HB | 118.5° | 120.0° |
| CA | CB | CG1 | HB | 120.3° | 120.0° |
| CB | CA | C | OXT | 112.5° | 69.6° |
| CA | CB | CG1 | HG13 | 180.0° | 60.0° |
| CA | CB | CG1 | HG11 | 60.0° | 180.0° |
| CA | CB | CG1 | HG12 | 60.0° | 60.0° |
| CB | CA | N | H | 45.0° | 63.6° |
| CA | CB | CG2 | HG21 | 180.0° | 55.6° |
| CA | CB | CG2 | HG23 | 60.0° | 175.6° |
| CA | CB | CG2 | HG22 | 60.0° | 64.4° |
| C40 | C42 | C43 | C49 | 59.6° | 65.0° |
| C40 | C42 | C43 | H422 | 120.3° | 120.0° |
| C40 | C42 | C43 | H421 | 120.3° | 120.0° |
| C40 | C42 | C43 | C44 | 71.1° | 175.0° |
| C42 | C40 | N | H | 5.1° | 55.4° |
| C42 | C40 | H401 | H402 | 118.2° | 120.0° |
| C40 | C42 | H422 | H421 | 119.0° | 120.0° |
| C40 | C42 | C43 | H431 | 175.0° | 55.0° |
| C49 | C43 | C42 | C44 | 130.7° | 120.0° |
| C49 | C43 | C42 | H431 | 115.4° | 120.0° |
| C49 | C43 | C44 | H431 | 115.3° | 120.0° |
| C49 | C43 | C44 | C45 | 10.5° | 83.5° |
| C49 | C43 | C42 | H422 | 60.7° | 175.0° |
| C49 | C43 | C42 | H421 | 179.9° | 55.0° |
| C49 | C43 | C44 | H442 | 111.6° | 156.5° |
| C49 | C43 | C44 | H441 | 132.5° | 36.5° |
| C43 | C49 | H493 | H491 | 120.0° | 120.0° |
| C43 | C49 | H493 | H492 | 120.0° | 120.0° |
| C43 | C49 | H491 | H492 | 120.0° | 120.0° |
| C42 | C43 | C44 | H431 | 114.0° | 120.0° |
| C42 | C43 | C44 | C45 | 120.2° | 156.5° |
| C43 | C42 | C40 | H401 | 52.1° | 60.0° |
| C43 | C42 | C40 | H402 | 66.7° | 60.0° |
| C43 | C42 | H422 | H421 | 119.0° | 120.0° |
| C42 | C43 | C44 | H442 | 117.7° | 36.5° |
| C42 | C43 | C44 | H441 | 1.8° | 83.5° |
| C42 | C43 | C49 | H493 | 180.0° | 174.2° |
| C42 | C43 | C49 | H491 | 60.0° | 54.2° |
| C42 | C43 | C49 | H492 | 60.0° | 65.9° |
| C47 | C45 | C44 | C43 | 63.2° | 178.4° |
| C47 | C45 | C44 | C46 | 129.3° | 120.0° |
| C47 | C45 | C44 | C48 | 116.1° | 120.0° |
| C47 | C45 | C46 | C48 | 113.6° | 120.0° |
| C47 | C45 | C44 | H442 | 174.8° | 61.6° |
| C47 | C45 | C44 | H441 | 58.9° | 58.3° |
| C47 | C45 | C46 | H463 | 180.0° | 60.0° |
| C47 | C45 | C46 | H462 | 60.0° | 60.0° |
| C47 | C45 | C46 | H461 | 60.0° | 180.0° |
| C45 | C47 | H472 | H473 | 120.0° | 120.0° |
| C45 | C47 | H472 | H471 | 120.0° | 120.0° |
| C45 | C47 | H473 | H471 | 120.0° | 120.0° |
| C47 | C45 | C48 | H482 | 180.0° | 170.1° |
| C47 | C45 | C48 | H483 | 60.0° | 50.1° |
| C47 | C45 | C48 | H481 | 60.0° | 69.9° |
| CG2 | CB | CG1 | HB | 117.8° | 120.0° |
| CG2 | CB | CA | HA | 49.8° | 65.6° |
| CG2 | CB | CG1 | HG13 | 58.0° | 60.0° |
| CG2 | CB | CG1 | HG11 | 178.0° | 59.9° |
| CG2 | CB | CG1 | HG12 | 62.0° | 180.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG23 | HG22 | 120.0° | 120.0° |
| CG1 | CB | CA | HA | 170.6° | 54.5° |
| CB | CG1 | HG13 | HG11 | 120.0° | 120.0° |
| CB | CG1 | HG13 | HG12 | 120.0° | 120.0° |
| CB | CG1 | HG11 | HG12 | 120.0° | 120.1° |
| CG1 | CB | CG2 | HG21 | 55.2° | 175.7° |
| CG1 | CB | CG2 | HG23 | 64.8° | 64.4° |
| CG1 | CB | CG2 | HG22 | 175.3° | 55.6° |
| C43 | C44 | C45 | H442 | 122.1° | 120.0° |
| C43 | C44 | C45 | H441 | 122.1° | 120.1° |
| C43 | C44 | C45 | C46 | 66.2° | 61.6° |
| C43 | C44 | C45 | C48 | 179.2° | 58.4° |
| C44 | C43 | C42 | H422 | 168.6° | 55.0° |
| C44 | C43 | C42 | H421 | 49.2° | 65.0° |
| C43 | C44 | H442 | H441 | 113.1° | 120.0° |
| C44 | C43 | C49 | H493 | 50.5° | 54.1° |
| C44 | C43 | C49 | H491 | 69.5° | 65.9° |
| C44 | C43 | C49 | H492 | 170.5° | 174.1° |
| C44 | C45 | C46 | C48 | 113.9° | 120.0° |
| C45 | C44 | C43 | H431 | 125.8° | 36.4° |
| C45 | C44 | H442 | H441 | 113.1° | 120.0° |
| C44 | C45 | C46 | H463 | 47.4° | 60.0° |
| C44 | C45 | C46 | H462 | 167.4° | 180.0° |
| C44 | C45 | C46 | H461 | 72.6° | 60.0° |
| C44 | C45 | C47 | H472 | 180.0° | 60.0° |
| C44 | C45 | C47 | H473 | 60.0° | 180.0° |
| C44 | C45 | C47 | H471 | 60.0° | 60.0° |
| C44 | C45 | C48 | H482 | 56.7° | 69.8° |
| C44 | C45 | C48 | H483 | 63.3° | 170.1° |
| C44 | C45 | C48 | H481 | 176.7° | 50.2° |
| C46 | C45 | C44 | H442 | 55.9° | 58.4° |
| C46 | C45 | C44 | H441 | 171.8° | 178.3° |
| C45 | C46 | H463 | H462 | 120.0° | 120.0° |
| C45 | C46 | H463 | H461 | 120.0° | 120.0° |
| C45 | C46 | H462 | H461 | 120.0° | 120.0° |
| C46 | C45 | C47 | H472 | 48.8° | 180.0° |
| C46 | C45 | C47 | H473 | 168.7° | 60.0° |
| C46 | C45 | C47 | H471 | 71.3° | 60.0° |
| C46 | C45 | C48 | H482 | 63.7° | 50.1° |
| C46 | C45 | C48 | H483 | 176.4° | 69.9° |
| C46 | C45 | C48 | H481 | 56.3° | 170.1° |
| C48 | C45 | C44 | H442 | 58.7° | 178.3° |
| C48 | C45 | C44 | H441 | 57.2° | 61.7° |
| C48 | C45 | C46 | H463 | 66.4° | 180.0° |
| C48 | C45 | C46 | H462 | 53.6° | 60.0° |
| C48 | C45 | C46 | H461 | 173.6° | 60.0° |
| C48 | C45 | C47 | H472 | 64.7° | 60.0° |
| C48 | C45 | C47 | H473 | 55.3° | 60.0° |
| C48 | C45 | C47 | H471 | 175.3° | 179.9° |
| C45 | C48 | H482 | H483 | 120.0° | 120.0° |
| C45 | C48 | H482 | H481 | 120.0° | 120.0° |
| C45 | C48 | H483 | H481 | 120.0° | 119.9° |
| OXT | C | CA | HA | 2.4° | 50.4° |
| HA | CA | CB | HB | 69.4° | 174.5° |
| HA | CA | N | H | 162.6° | 56.4° |
| HB | CB | CG1 | HG13 | 59.7° | 180.0° |
| HB | CB | CG1 | HG11 | 60.3° | 60.0° |
| HB | CB | CG1 | HG12 | 179.8° | 60.0° |
| HB | CB | CG2 | HG21 | 61.5° | 64.3° |
| HB | CB | CG2 | HG23 | 178.5° | 55.6° |
| HB | CB | CG2 | HG22 | 58.5° | 175.6° |
| HG13 | CG1 | HG11 | HG12 | 120.0° | 120.0° |
| H | N | C40 | H401 | 125.6° | 64.6° |
| H | N | C40 | H402 | 115.6° | 175.4° |
| H | N | C54 | H542 | 58.4° | 64.7° |
| H | N | C54 | H543 | 178.4° | 175.3° |
| H | N | C54 | H541 | 61.6° | 55.4° |
| H401 | C40 | C42 | H422 | 172.4° | 180.0° |
| H401 | C40 | C42 | H421 | 68.2° | 60.0° |
| H402 | C40 | C42 | H422 | 53.6° | 60.0° |
| H402 | C40 | C42 | H421 | 173.0° | 180.0° |
| H422 | C42 | C43 | H431 | 54.7° | 65.0° |
| H421 | C42 | C43 | H431 | 64.8° | 175.0° |
| H431 | C43 | C44 | H442 | 3.8° | 83.5° |
| H431 | C43 | C44 | H441 | 112.1° | 156.5° |
| H431 | C43 | C49 | H493 | 64.7° | 65.8° |
| H431 | C43 | C49 | H491 | 175.3° | 174.2° |
| H431 | C43 | C49 | H492 | 55.3° | 54.1° |
| H463 | C46 | H462 | H461 | 120.0° | 120.0° |
| H472 | C47 | H473 | H471 | 120.0° | 120.1° |
| H482 | C48 | H483 | H481 | 120.0° | 120.0° |
| H493 | C49 | H491 | H492 | 120.0° | 120.0° |
| H542 | C54 | H543 | H541 | 120.0° | 120.0° |
| HG21 | CG2 | HG23 | HG22 | 120.0° | 120.0° |
