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ILV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NAGCAHsing1.37Å1.32ÅAromatic
NAGCADsing1.38Å1.33ÅAromatic
CACCADdoub1.39Å1.33ÅAromatic
CACCABsing1.38Å1.39ÅAromatic
CG2CBsing1.53Å1.53Å
CAHCAIdoub1.35Å1.34ÅAromatic
CADCAEsing1.41Å1.36ÅAromatic
CABCAAdoub1.39Å1.39ÅAromatic
CAICAEsing1.45Å1.39ÅAromatic
CAICAJsing1.51Å1.44Å
CAECAFdoub1.41Å1.39ÅAromatic
CG1CBsing1.53Å1.53Å
CAACAFsing1.39Å1.39ÅAromatic
CBCAsing1.54Å1.55Å
CAFNsing1.38Å1.36Å
CAJCAQsing1.54Å1.59Å
CANsing1.46Å1.47Å
CACsing1.51Å1.42Å
NCALsing1.46Å1.47Å
CAQNAOsing1.48Å1.49Å
CAQCASsing1.53Å1.53Å
CNAOsing1.35Å1.41Å
COdoub1.23Å1.24Å
CASOAVsing1.43Å1.46Å
CG2H1sing1.09Å1.10Å
CG2H2sing1.09Å1.10Å
CG2H3sing1.09Å1.10Å
CBH4sing1.09Å1.10Å
CG1H5sing1.09Å1.10Å
CG1H6sing1.09Å1.10Å
CG1H7sing1.09Å1.10Å
CAH8sing1.09Å1.10Å
NAOH9sing0.99Å1.00Å
CAQH10sing1.11Å1.10Å
CASH11sing1.09Å1.10Å
CASH12sing1.09Å1.10Å
OAVH13sing0.97Å0.95Å
CAJH14sing1.08Å1.10Å
CAJH15sing1.10Å1.10Å
CAHH16sing1.08Å1.08Å
NAGH17sing0.97Å1.00Å
CACH18sing1.08Å1.08Å
CABH19sing1.08Å1.08Å
CAAH20sing1.08Å1.08Å
CALH21sing1.09Å1.10Å
CALH22sing1.09Å1.10Å
CALH23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAHNAGCAD107.7°109.7°
NAGCAHCAI110.4°109.6°
NAGCAHH16124.8°125.7°
CAHNAGH17126.1°125.5°
NAGCADCAC127.4°132.8°
NAGCADCAE109.4°107.2°
CADNAGH17126.2°124.9°
CADCACCAB121.0°119.9°
CACCADCAE123.2°120.0°
CADCACH18119.5°120.1°
CACCABCAA116.8°120.6°
CABCACH18119.5°120.0°
CACCABH19121.6°119.6°
CG2CBCG1106.6°109.5°
CG2CBCA112.5°109.5°
CBCG2H1109.5°109.4°
CBCG2H2109.5°109.5°
CBCG2H3109.5°109.4°
CG2CBH4109.4°109.5°
CAHCAICAE106.5°107.4°
CAHCAICAJ123.8°124.4°
CAICAHH16124.8°124.7°
CADCAECAI106.0°106.2°
CADCAECAF118.6°119.6°
CABCAACAF122.3°120.8°
CAACABH19121.6°119.8°
CABCAAH20118.8°120.0°
CAECAICAJ129.7°128.2°
CAICAECAF135.4°134.3°
CAICAJCAQ111.2°101.5°
CAICAJH14109.0°113.3°
CAICAJH15109.0°109.4°
CAECAFCAA118.1°119.0°
CAECAFN131.4°122.9°
CG1CBCA109.9°109.5°
CG1CBH4109.3°109.4°
CBCG1H5109.5°109.5°
CBCG1H6109.5°109.5°
CBCG1H7109.4°109.4°
CAACAFN110.4°118.1°
CAFCAAH20118.9°119.1°
CBCAN115.6°109.3°
CBCAC113.7°108.8°
CACBH4109.1°109.5°
CBCAH8105.2°107.5°
CAFNCA120.3°114.5°
CAFNCAL122.3°114.5°
CAJCAQNAO115.9°107.1°
CAJCAQCAS113.6°111.9°
CAJCAQH10105.7°108.5°
CAQCAJH14109.0°113.4°
CAQCAJH15109.0°109.8°
NCAC108.9°109.2°
CANCAL114.3°115.2°
NCAH8106.1°110.6°
CACNAO119.2°121.6°
CACO123.0°119.2°
CCAH8106.7°111.3°
NCALH21109.5°109.4°
NCALH22109.5°109.4°
NCALH23109.5°109.5°
NAOCAQCAS107.8°112.3°
CAQNAOC125.3°125.3°
CAQNAOH9117.4°117.5°
NAOCAQH10106.8°108.7°
CAQCASOAV111.5°109.5°
CASCAQH10106.4°108.3°
CAQCASH11109.0°109.4°
CAQCASH12108.9°109.4°
NAOCO117.7°119.1°
CNAOH9117.3°117.2°
OAVCASH11108.9°109.5°
OAVCASH12109.0°109.5°
CASOAVH13109.5°114.0°
H1CG2H2109.5°109.5°
H1CG2H3109.5°109.5°
H2CG2H3109.5°109.4°
H5CG1H6109.4°109.5°
H5CG1H7109.5°109.5°
H6CG1H7109.5°109.4°
H11CASH12109.5°109.5°
H14CAJH15109.5°109.2°
H21CALH22109.5°109.5°
H21CALH23109.5°109.5°
H22CALH23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAHNAGCADH17180.0°179.9°
CAHNAGCADCAC177.9°178.7°
NAGCAHCAIH16180.0°178.7°
CAHNAGCADCAE2.2°0.5°
NAGCAHCAICAE0.3°2.6°
NAGCAHCAICAJ178.4°176.9°
NAGCADCACCAE179.9°179.2°
NAGCADCACCAB179.0°179.9°
CADNAGCAHCAI1.6°1.4°
NAGCADCAECAI2.0°2.0°
NAGCADCAECAF179.8°177.5°
CADNAGCAHH16178.5°179.9°
NAGCADCACH181.0°0.4°
CADCACCABH18180.0°179.5°
CADCACCABCAA0.5°0.7°
CACCADCAECAI178.1°177.3°
CACCADCAECAF0.3°3.1°
CACCADNAGH172.1°1.4°
CADCACCABH19179.5°179.9°
CABCACCADCAE0.8°0.9°
CACCABCAAH19180.0°179.4°
CACCABCAACAF1.0°0.1°
CACCABCAAH20179.0°179.4°
CG2CBCG1CA122.1°120.0°
CG2CBCG1H4118.1°120.0°
CG2CBCAH4121.5°120.1°
CG2CBCAN54.8°180.0°
CG2CBCAC178.2°60.8°
CBCG2H1H2120.0°120.0°
CBCG2H1H3120.0°120.0°
CBCG2H2H3120.0°119.9°
CG2CBCG1H5180.0°60.0°
CG2CBCG1H660.0°180.0°
CG2CBCG1H760.0°60.0°
CG2CBCAH861.8°59.8°
CAHCAICAECAD1.0°2.9°
CAHCAICAECAJ177.9°179.4°
CAHCAICAECAF178.3°176.6°
CAHCAICAJCAQ125.6°87.0°
CAHCAICAJH145.3°151.0°
CAHCAICAJH15114.2°29.0°
CAICAHNAGH17178.5°178.8°
CADCAECAICAF177.3°179.5°
CADCAECAICAJ176.9°176.6°
CADCAECAFCAA1.7°3.7°
CADCAECAFN176.1°174.3°
CAECADNAGH17177.8°179.3°
CAECADCACH18179.2°179.6°
CABCAACAFCAE2.1°2.2°
CABCAACAFH20180.0°179.5°
CABCAACAFN177.6°176.0°
CAACABCACH18179.5°178.8°
CAICAECAFCAA178.7°176.9°
CAICAECAFN6.8°5.1°
CAECAICAJCAQ52.1°92.3°
CAECAICAJH14172.3°29.6°
CAECAICAJH1568.2°151.7°
CAECAICAHH16179.7°178.6°
CAJCAICAECAF0.4°4.0°
CAICAJCAQH14120.3°121.9°
CAICAJCAQH15120.3°115.7°
CAICAJCAQNAO123.1°42.3°
CAICAJCAQCAS111.3°165.8°
CAICAJCAQH105.0°74.9°
CAICAJH14H15119.2°122.2°
CAJCAICAHH161.6°1.9°
CAECAFCAAN175.6°178.1°
CAECAFNCA33.6°61.6°
CAECAFNCAL167.6°74.6°
CAECAFCAAH20177.9°178.4°
CG1CBCAH4119.9°119.9°
CG1CBCAN173.4°60.0°
CG1CBCAC59.6°179.2°
CG1CBCG2H1180.0°60.0°
CG1CBCG2H260.0°60.0°
CG1CBCG2H360.0°180.0°
CBCG1H5H6120.0°120.0°
CBCG1H5H7120.0°120.0°
CBCG1H6H7120.0°120.0°
CG1CBCAH856.8°60.2°
CAACAFNCA141.1°120.3°
CAACAFNCAL17.7°103.5°
CAFCAACABH19179.0°179.5°
CBCANCAF102.3°130.0°
CBCANC129.3°119.0°
CBCANH8116.2°118.2°
CBCACH8115.5°118.3°
CBCANCAL58.2°94.1°
CBCACNAO155.5°137.7°
CBCACO25.4°42.2°
CACBCG2H159.5°60.0°
CACBCG2H2179.5°180.0°
CACBCG2H360.5°60.0°
CACBCG1H557.9°60.0°
CACBCG1H662.1°60.0°
CACBCG1H7177.9°179.9°
CAFNCACAL160.4°135.9°
CAFNCAC128.4°11.0°
CAFNCAH813.9°111.8°
NCAFCAAH202.4°3.5°
CAFNCALH21180.0°75.9°
CAFNCALH2260.0°44.2°
CAFNCALH2360.0°164.2°
CAJCAQNAOCAS128.5°123.2°
CAJCAQNAOH10117.5°117.0°
CAJCAQCASH10115.9°119.5°
CAJCAQNAOC52.0°60.1°
CAJCAQCASOAV172.9°174.5°
CAJCAQNAOH9128.0°121.1°
CAJCAQCASH1152.6°54.5°
CAJCAQCASH1266.8°65.5°
CAQCAJH14H15119.2°122.7°
NCACH8114.1°122.4°
NCACNAO74.2°103.1°
NCACO105.0°77.1°
NCACBH466.7°59.9°
CANCALH2120.0°60.0°
CANCALH22100.0°180.0°
CANCALH23140.0°59.9°
CCANCAL71.2°146.9°
CACNAOCAQ4.8°11.1°
CACNAOO179.2°179.8°
CCACBH460.3°59.3°
CACNAOH9175.2°170.0°
CALNCAH8174.3°24.1°
NCALH21H22120.0°120.0°
NCALH21H23120.0°119.9°
NCALH22H23120.0°120.0°
NAOCAQCASH10114.3°120.0°
CAQNAOCH9180.0°178.8°
CAQNAOCO174.4°168.7°
NAOCAQCASOAV57.3°65.0°
NAOCAQCASH11177.6°175.0°
NAOCAQCASH1263.0°55.0°
NAOCAQCAJH14116.7°79.5°
NAOCAQCAJH152.8°158.1°
CASCAQNAOC179.5°63.2°
CAQCASOAVH11120.3°120.0°
CAQCASOAVH12120.3°120.0°
CASCAQNAOH90.5°115.6°
CAQCASH11H12119.1°120.0°
CAQCASOAVH13180.0°179.9°
CASCAQCAJH149.0°43.9°
CASCAQCAJH15128.5°78.5°
NAOCCAH839.9°19.4°
CNAOCAQH1065.5°177.1°
OCCAH8140.9°160.5°
OCNAOH95.6°10.1°
OAVCASCAQH1057.0°55.0°
OAVCASH11H12119.1°120.0°
H1CG2H2H3120.0°120.1°
H1CG2CBH461.9°180.0°
H2CG2CBH458.1°59.9°
H3CG2CBH4178.1°60.0°
H4CBCG1H561.9°180.0°
H4CBCG1H6178.1°60.0°
H4CBCG1H758.1°60.0°
H4CBCAH8176.7°179.9°
H5CG1H6H7120.0°120.1°
H9NAOCAQH10114.5°4.1°
H10CAQCASH1163.3°65.0°
H10CAQCASH12177.3°175.0°
H10CAQCAJH14125.3°163.3°
H10CAQCAJH15115.3°40.9°
H11CASOAVH1359.7°60.0°
H12CASOAVH1359.7°60.1°
H16CAHNAGH171.5°0.0°
H18CACCABH190.5°0.6°
H19CABCAAH201.0°0.0°
H21CALH22H23120.0°120.1°

223166

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