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YL4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAZOBAsing1.44Å1.45Å
CAZCAYsing1.55Å1.56Å
OBACAVsing1.36Å1.37Å
CAVCAWsing1.39Å1.34ÅAromatic
CAVCAUdoub1.39Å1.38ÅAromatic
CAYCAUsing1.52Å1.40Å
CAWCAXdoub1.38Å1.39ÅAromatic
CAUCATsing1.38Å1.36ÅAromatic
CAXCASsing1.38Å1.41ÅAromatic
CATCASdoub1.38Å1.41ÅAromatic
CASCARsing1.51Å1.41Å
CARNAQsing1.46Å1.50Å
CARPBBsing1.82Å1.92Å
NAQC4sing1.38Å1.35Å
OBCPBBdoub1.48Å1.71Å
C4N3doub1.32Å1.36ÅAromatic
C4C5sing1.42Å1.37ÅAromatic
N3C2sing1.32Å1.39ÅAromatic
OBEPBBsing1.61Å1.67Å
CALC5sing1.45Å1.39ÅAromatic
CALCAHdoub1.33Å1.36ÅAromatic
C5C6doub1.40Å1.36ÅAromatic
PBBOBDsing1.61Å1.68Å
C2N1doub1.31Å1.40ÅAromatic
CADCACdoub1.38Å1.39ÅAromatic
CADCAEsing1.40Å1.40ÅAromatic
CAHCAEsing1.48Å1.39Å
CAHSAIsing1.75Å1.69ÅAromatic
CACCABsing1.38Å1.39ÅAromatic
C6N1sing1.34Å1.36ÅAromatic
C6SAIsing1.76Å1.70ÅAromatic
CAECAFdoub1.40Å1.43ÅAromatic
CABCAAsing1.51Å1.42Å
CABCAGdoub1.38Å1.40ÅAromatic
CAFCAGsing1.38Å1.41ÅAromatic
CATH1sing1.08Å1.08Å
CAYH2sing1.09Å1.10Å
CAYH3sing1.09Å1.10Å
CAZH4sing1.09Å1.10Å
CAZH5sing1.09Å1.10Å
CAWH6sing1.08Å1.08Å
CAXH7sing1.08Å1.08Å
CARH8sing1.09Å1.10Å
OBDH9sing0.97Å0.95Å
OBEH10sing0.97Å0.95Å
NAQH11sing0.97Å1.00Å
C2H12sing1.08Å1.08Å
CALH13sing1.08Å1.08Å
CADH14sing1.08Å1.08Å
CACH15sing1.08Å1.08Å
CAAH16sing1.09Å1.10Å
CAAH17sing1.09Å1.10Å
CAAH18sing1.09Å1.10Å
CAGH19sing1.08Å1.08Å
CAFH20sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBACAZCAY103.9°102.8°
CAZOBACAV102.4°109.3°
OBACAZH4110.8°110.8°
OBACAZH5110.9°110.8°
CAZCAYCAU101.7°101.9°
CAZCAYH2111.4°110.9°
CAZCAYH3111.4°111.0°
CAYCAZH4110.8°110.7°
CAYCAZH5110.8°110.7°
OBACAVCAW125.9°129.9°
OBACAVCAU114.4°111.3°
CAWCAVCAU119.7°118.9°
CAVCAWCAX120.8°120.2°
CAVCAWH6119.6°119.9°
CAVCAUCAY107.8°107.1°
CAVCAUCAT122.2°120.8°
CAYCAUCAT130.1°132.2°
CAUCAYH2111.4°111.0°
CAUCAYH3111.4°111.0°
CAWCAXCAS120.0°120.3°
CAXCAWH6119.6°119.9°
CAWCAXH7120.0°119.9°
CAUCATCAS119.3°120.0°
CAUCATH1120.3°120.0°
CAXCASCAT118.1°119.8°
CAXCASCAR119.8°120.1°
CASCAXH7120.0°119.8°
CATCASCAR122.1°120.1°
CASCATH1120.3°120.0°
CASCARNAQ109.8°109.5°
CASCARPBB110.2°109.4°
CASCARH8112.5°109.5°
NAQCARPBB106.9°109.5°
CARNAQC4125.2°120.0°
NAQCARH8111.0°109.5°
CARNAQH11105.4°120.0°
CARPBBOBC104.7°109.5°
CARPBBOBE109.0°109.4°
CARPBBOBD110.3°109.5°
PBBCARH8106.3°109.5°
NAQC4N3119.4°120.5°
NAQC4C5117.4°120.5°
C4NAQH11105.4°120.0°
OBCPBBOBE117.0°109.5°
OBCPBBOBD106.8°109.5°
N3C4C5123.2°119.0°
C4N3C2120.0°121.2°
C4C5CAL130.9°130.4°
C4C5C6116.5°117.5°
N3C2N1117.0°122.2°
N3C2H12121.5°118.9°
OBEPBBOBD109.0°109.5°
PBBOBEH10109.5°114.0°
C5CALCAH117.2°114.6°
CALC5C6112.6°112.1°
C5CALH13121.4°122.7°
CALCAHCAE128.9°124.4°
CALCAHSAI105.5°111.2°
CAHCALH13121.4°122.7°
C5C6N1122.4°119.1°
C5C6SAI107.7°109.7°
PBBOBDH9109.5°114.0°
C2N1C6121.0°121.1°
N1C2H12121.5°118.9°
CACCADCAE122.0°119.8°
CADCACCAB122.2°120.1°
CACCADH14119.0°120.1°
CADCACH15118.9°119.9°
CADCAECAH119.3°120.1°
CADCAECAF115.3°119.7°
CAECADH14119.1°120.1°
CAECAHSAI125.6°124.4°
CAHCAECAF125.4°120.1°
CAHSAIC696.9°92.3°
CACCABCAA118.4°119.8°
CACCABCAG117.9°120.3°
CABCACH15118.9°119.9°
N1C6SAI129.9°131.1°
CAECAFCAG122.9°119.9°
CAECAFH20118.6°120.1°
CAACABCAG123.7°119.8°
CABCAAH16109.5°109.5°
CABCAAH17109.5°109.5°
CABCAAH18109.5°109.5°
CABCAGCAF119.8°120.1°
CABCAGH19120.1°119.9°
CAFCAGH19120.1°120.0°
CAGCAFH20118.6°120.1°
H2CAYH3109.5°110.8°
H4CAZH5109.5°110.8°
H16CAAH17109.5°109.5°
H16CAAH18109.5°109.4°
H17CAAH18109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBACAZCAYH4119.1°118.3°
OBACAZCAYH5119.1°118.4°
CAZOBACAVCAW160.1°161.2°
CAZOBACAVCAU18.7°18.8°
OBACAZCAYCAU30.3°25.3°
OBACAZCAYH2149.0°143.5°
OBACAZCAYH388.4°92.9°
OBACAZH4H5122.6°123.4°
CAYCAZOBACAV29.0°27.6°
CAZCAYCAUCAV19.3°15.5°
CAZCAYCAUH2118.8°118.1°
CAZCAYCAUH3118.7°118.2°
CAZCAYCAUCAT162.3°164.2°
CAZCAYH2H3123.6°123.7°
CAYCAZH4H5122.6°123.3°
OBACAVCAWCAU178.8°180.0°
OBACAVCAUCAY1.5°0.8°
OBACAVCAWCAX179.1°179.5°
OBACAVCAUCAT179.9°179.4°
CAVOBACAZH490.1°90.7°
CAVOBACAZH5148.1°146.0°
OBACAVCAWH60.8°0.5°
CAWCAVCAUCAY179.6°179.2°
CAVCAWCAXH6180.0°180.0°
CAWCAVCAUCAT1.1°0.6°
CAVCAWCAXCAS0.3°0.1°
CAVCAWCAXH7179.7°180.0°
CAVCAUCAYCAT178.3°179.7°
CAUCAVCAWCAX0.4°0.4°
CAVCAUCATCAS1.2°0.3°
CAVCAUCATH1178.8°179.4°
CAVCAUCAYH2138.1°133.7°
CAVCAUCAYH399.4°102.7°
CAUCAVCAWH6179.6°179.5°
CAYCAUCATCAS179.3°179.4°
CAYCAUCATH10.6°0.9°
CAUCAYH2H3123.6°123.8°
CAUCAYCAZH488.8°93.0°
CAUCAYCAZH5149.4°143.7°
CAWCAXCASH7180.0°180.0°
CAWCAXCASCAT0.2°0.2°
CAWCAXCASCAR180.0°179.5°
CAUCATCASCAX0.5°0.0°
CAUCATCASH1180.0°179.8°
CAUCATCASCAR179.3°179.6°
CATCAUCAYH243.6°46.1°
CATCAUCAYH378.9°77.6°
CAXCASCATCAR179.8°179.7°
CAXCASCARNAQ46.5°34.7°
CAXCASCARPBB71.0°85.3°
CAXCASCATH1179.4°179.8°
CASCAXCAWH6179.7°179.9°
CAXCASCARH8170.6°154.7°
CATCASCARNAQ133.3°145.0°
CATCASCARPBB109.2°95.1°
CATCASCAXH7179.8°179.8°
CATCASCARH89.2°24.9°
CASCARNAQPBB119.5°120.0°
CASCARNAQH8125.0°120.0°
CASCARPBBH8122.2°120.0°
CASCARNAQC4116.2°135.0°
CASCARPBBOBC77.5°55.0°
CASCARPBBOBE48.4°65.0°
CASCARPBBOBD168.0°175.0°
CARCASCATH10.7°0.1°
CARCASCAXH70.0°0.6°
CASCARNAQH11121.7°45.0°
NAQCARPBBH8118.6°120.0°
CARNAQC4H11122.1°180.0°
NAQCARPBBOBC41.8°65.0°
CARNAQC4N321.7°0.0°
CARNAQC4C5158.7°179.7°
NAQCARPBBOBE167.6°175.0°
NAQCARPBBOBD72.8°55.0°
PBBCARNAQC4124.3°105.0°
CARPBBOBCOBE120.7°120.0°
CARPBBOBCOBD117.0°120.0°
CARPBBOBEOBD120.4°120.0°
CARPBBOBDH9113.3°60.1°
CARPBBOBEH10118.4°60.0°
PBBCARNAQH112.2°75.0°
NAQC4N3C5179.6°179.7°
NAQC4N3C2179.8°180.0°
NAQC4C5CAL0.3°0.0°
NAQC4C5C6179.8°179.8°
C4NAQCARH88.8°15.0°
OBCPBBOBEOBD121.2°120.0°
OBCPBBCARH8160.4°175.0°
OBCPBBOBDH90.0°59.9°
OBCPBBOBEH100.0°60.0°
N3C4C5CAL179.3°179.7°
N3C4C5C60.6°0.5°
C4N3C2N10.4°0.1°
N3C4NAQH11143.8°180.0°
C4N3C2H12179.7°180.0°
C5C4N3C20.5°0.3°
C4C5CALC6179.9°179.8°
C4C5CALCAH179.6°179.2°
C4C5C6N10.4°0.5°
C4C5C6SAI180.0°179.7°
C5C4NAQH1136.6°0.3°
C4C5CALH130.4°0.0°
N3C2N1H12180.0°180.0°
N3C2N1C60.2°0.1°
OBEPBBCARH873.8°55.0°
OBEPBBOBDH9127.2°180.0°
C5CALCAHH13180.0°179.2°
C5CALCAHCAE179.0°180.0°
C5CALCAHSAI0.6°0.7°
CALC5C6N1179.5°179.7°
CALC5C6SAI0.1°0.1°
CAHCALC5C60.5°0.5°
CALCAHCAECAD151.2°0.3°
CALCAHCAESAI178.1°179.3°
CALCAHSAIC60.5°0.5°
CALCAHCAECAF27.9°180.0°
C5C6N1C20.3°0.3°
C5C6SAICAH0.2°0.2°
C5C6N1SAI179.5°179.7°
C6C5CALH13179.5°179.7°
OBDPBBCARH845.8°65.0°
OBDPBBOBEH10121.2°180.0°
C2N1C6SAI179.8°180.0°
CACCADCAEH14180.0°179.9°
CACCADCAECAH179.7°180.0°
CADCACCABH15180.0°180.0°
CACCADCAECAF0.5°0.3°
CADCACCABCAA179.3°180.0°
CADCACCABCAG0.1°0.0°
CADCAECAHCAF179.1°179.7°
CADCAECAHSAI26.9°179.6°
CAECADCACCAB0.1°0.0°
CADCAECAFCAG0.7°0.6°
CAECADCACH15179.8°180.0°
CADCAECAFH20179.3°179.7°
CAECAHSAIC6179.0°179.9°
CAHCAECAFCAG179.8°179.7°
CAECAHCALH131.0°0.7°
CAHCAECADH140.3°0.1°
CAHCAECAFH200.1°0.0°
CAHSAIC6N1179.8°180.0°
SAICAHCAECAF154.0°0.7°
SAICAHCALH13179.4°179.9°
CACCABCAACAG179.1°180.0°
CACCABCAGCAF0.1°0.3°
CABCACCADH14179.9°179.9°
CACCABCAAH1690.4°90.0°
CACCABCAAH17149.6°150.0°
CACCABCAAH1829.6°29.9°
CACCABCAGH19179.9°180.0°
C6N1C2H12179.8°180.0°
CAECAFCAGCAB0.5°0.6°
CAECAFCAGH20180.0°179.7°
CAFCAECADH14179.5°179.8°
CAECAFCAGH19179.5°179.7°
CAACABCAGCAF179.1°179.7°
CAACABCACH150.7°0.0°
CABCAAH16H17120.0°120.0°
CABCAAH16H18120.0°120.0°
CABCAAH17H18120.0°120.0°
CAACABCAGH191.0°0.0°
CABCAGCAFH19180.0°179.7°
CAGCABCACH15179.9°180.0°
CAGCABCAAH1690.5°90.0°
CAGCABCAAH1729.5°30.0°
CAGCABCAAH18149.5°150.0°
CABCAGCAFH20179.5°179.7°
H2CAYCAZH429.9°25.1°
H2CAYCAZH591.8°98.2°
H3CAYCAZH4152.5°148.8°
H3CAYCAZH530.7°25.5°
H6CAWCAXH70.3°0.0°
H8CARNAQH11113.3°165.0°
H14CADCACH150.2°0.1°
H16CAAH17H18120.0°120.0°
H19CAGCAFH200.6°0.0°

246704

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