Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKIITSILLLSCIFFMPTISAESFNASAKYALAVDLDSGKILYEKDANRPAAIASLTKIMTVYMVYKEIDNGNLKWNTKVNISDYPYQLTRESDASNVPLEKR-RYTVKQLVDAAMISSANSAAIALAEHISGTESKFVDKMTAQLEKWGIHDSHLVNASGLNNSMLGNHIYPKSSQNDENKMSARDIAIVAYHLVNEYPSILKITSKSVAKFDKDIMHSYNYMLPDMPVFRPGITGLKTGTTELAGQSFIATSTESGMRLLTVIMHADKADKDKYARFTATNSLLNYITNTYEPNLVLAKGATYKGKEASVRDGKEQSVIAVAKNDLKVAQKKNITKQNQLKIN-FKKELTAPITKKENLGKAYYVDLNKVGKG--YLI-KEPSVHLVAKDSIERSFFLKVWWNHFVRYVNEKL |
1XP4 Chain:A ((10-378)) | ------------------------FTIAAKHAIAVEANTGKILYEKDATQPVEIASITKLITVYLVYEALENGSITLSTPVDISDYPYQLTTNSEASNIPM-EARNYTVEELLEATLVSSANSAAIALAEKIAGSEKDFVDMMRAKLLEWGIQDATVVNTTGLNNETLGDNIYPGSKKDEENKLSAYDVAIVARNLIKKYPQVLEITKKPSSTFAGMTITSTNYMLEGMPAYRGGFDGLKTGTTDKAGESFVGTTVEKGMRVITVVLNADHQDNNPYARFTATSSLMDYISSTFTLRKIVQQGDAYQDSKAPVQDGKEDTVIAVAPEDIYLIERVGNQSSQSVQFTPDSKAIPAPLEAGTVVGHLTYED-KD-LIGQGYITTERPSFEMVADKKIE-------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XP4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -151785 for 3183 contacts (-47.7/contact) +
2D Compatibility (PS) -38044 + (NN) -3398 + (LL) 5000
1D Compatibility (HY) -34400 + (ID) 8700
Total energy: -231327.0 ( -72.68 by residue)
QMean score : 0.479
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