Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKIITSILLLSCIFFMPTISAESFNASAKYALAVDLDSGKILYEKDANRPAAIASLTKIMTVYMVYKEIDNGNLKWNTKVNISDYPYQLTRESDASNVPLEK----------RRYTVKQLVDAAMISSANSAAIALAEHISGTESKFVDKMTAQLEKWGIHDSHLVNASGLNNSMLGNHIYPKSSQNDENKMSARDIAIVAYHLVNEYPSILKITSKSVAKFDKDIMHSYNYMLPDMPVFRPGITGLKTGTTELAGQSFIATSTESGMRLLTVIMHADKADKDKYARFTATNSLLNYITNTYEPNLVLAKGATYKGKEASVRDGKEQSVIAVAKNDLKVAQKKNITKQNQLKINFKKELTAPITKKENLGKAYYVDLNKVGKGYLIKEPSVHLVAKDSIERSFFLKVWWNHFVRYVNEKL |
1NJ4 Chain:A ((12-242)) | ----------------VPQIDAESY-------ILIDYNSGKVLAEQNADVRRDPASLTKMMTSYVIGQAMKAGKFKETDLVTIGN-----------------KGSSLMFLKPGMQVPVSQLIRDINLQSGNDACVAMADFAAGSQDAFVGLMNSYVNALGLKNTHFQTVHGLD--------------ADGQYSSARDMALIGQALIRDVPNEYSIYKEKEFTFNGIRQLNRNGLLWDNSL---NVDGIKTGHTDKAGYNLVASATEGQMRLISAVMGGRTFKGREAESKKLLTWGFRFFETVNPLKVGKEFASEPVWFGDSDRASLGVDKDVYLTIPRGRMKDLKASYVLNSSELHAPLQKNQVVGTINFQLDGKTIEQRPLVVLQEIPEG------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NJ4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -133838 for 1787 contacts (-74.9/contact) +
2D Compatibility (PS) -22705 + (NN) -8547 + (LL) 5432
1D Compatibility (HY) -14000 + (ID) 3400
Total energy: -177058.0 ( -99.08 by residue)
QMean score : 0.577
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