Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKTLFDKLWNRHVIYGKEGEPQLLYVDLHLIHEVTSPQAFEGLRLENRPLRRPDKTFATMDHNVPTEDIFNIQDLVAKKQIEALQTNCAEFGVTLADMGSDRQGIVHMVGPETGLTQPGKVIVCGDSHTATHGAFGAIGFGIGSSEVEHVFATQTIWQQKPKSMGIEINGKLPKGVYAKDIILHLIATYGVAFGTGYAVEYYGETIRNMSMEERMTICNMAIEGGAKMGMMAPDETTFEYV--RGREYAPTDMDK----AISDWKTLQTDS-DAEYDLHIKMDASILEPYVTWGTNPEMGVPFSKAFPEIKD-MNYERAYEYMGLKP-----------GQTAEQIELGYVFIG---SCTNARLSDLEEAARIV------KGNKVKNNIRALVVPGSRQVRNAAESIGLDKIFIEAGFEWREPGCSMCLGMNPDQVPDGVHCASTS-----------NRNFEGRQGKGAR-THLVSPAMAAAAAINGHF-IDIRKVAVISGGN |
2B3X Chain:A ((200-571)) | --------------------------------------------------------------------------------------------------------------------------LVGTDSHTTMIDGLGILGWGVGGIEAEAVMLGQPISMVLPQVIGYRLMGKPHPLVTSTDIVLTITKHLRQVGVVGKFVEFFGPGVAQLSIADRATIANMCPEYGATAAFFPVDEVSITYLVQTGRDEEKLKYIKKYLQAVGMFRDFNDPSQDPDFTQVVELDLKTVVPCCSGPKRPQDKVAVSDMKKDFESCLGAKQGFKGFQVAPEHHNDHKTFIYDNTEFTLAHGSVVIAAITSCTNTSNPSVMLGAGLLAKKAVDAGLNVMPYIKTSLSPGSGVVTYYLQESGVMPYLSQLGFDVVGYGCMTCIG-NSGPLPEPVVEAITQGDLVAVGVLSGNRNFEGRVHPNTRANYLASPPLVIAYAIAGTIRIDFEK-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2B3X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -110184 for 2568 contacts (-42.9/contact) +
2D Compatibility (PS) -35088 + (NN) -5880 + (LL) 8228
1D Compatibility (HY) -18400 + (ID) 4800
Total energy: -166124.0 ( -64.69 by residue)
QMean score : 0.381
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