Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKIITSILLLSCIFFMPTISAESFNASAKYALAVDLDSGKILYEKDANRPAAIASLTKIMTVYMVYKEIDNGNLKWNTKVNISDYPYQLTRES-DASNVPLEK--RRYTVKQLVDAAMISSANSAAIALAEHISGTESKFVDKMTAQLEKWGIHDSHLVNASGLNNSMLGNHIYPKSSQNDENKMSARDIAIVAYHLVNEYPSILKITSKSVAKFDKDIMHSYNYMLPDMPVFRPGITGLKTGTTELAGQSFIATSTESGMRLLTVIMHADKADKDKYARFTATNSLLNYITNTYEPNLVLAKGATYKGKEASVRDGKEQSVIAVAKNDLKV--AQKKNITKQNQLKINFKKELTAPITKKENLGKAYYVDLNKVGKGYLIKEPSVHLVAKDSIERSFFLKVWWNHFVRYVNEKL |
3ITA Chain:A ((5-326)) | ------------------TVEAPSVDARA--WILMDYASGKVLAEGNADEKLDPASLTKIMTSYVVGQALKADKIKLTDMVTVGKDAWATGNPALRGSSVMFLKPGDQVSVADLNKGVIIQSGNDACIALADYVAGSQESFIGLMNGYAKKLGLTNTTFQTVHGLD--------APGQFS------TARDMALLGKALIHDVPEEYAIHKEKEFTFNKIRQPNRNRLLWSSNL---NVDGMKTGTTAGAGYNLVASATQGDMRLISVVLGA-KTDR---IRFNESEKLLTWGFRFFETVTPIKPDATFVTQRVWFGDKSEVNLGAGEAGSVTIPRGQLKNLKASYTLT---EPQLTAPLKKGQVVGTIDFQLNGKSIEQRPLIVMENVEEGG------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ITA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -113036 for 2647 contacts (-42.7/contact) +
2D Compatibility (PS) -33250 + (NN) -4760 + (LL) 4640
1D Compatibility (HY) -20000 + (ID) 4650
Total energy: -171056.0 ( -64.62 by residue)
QMean score : 0.469
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