Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNSTSTPNTGLSYKDAGVDIEAGDALVDRIKSVAKRTTRPEVMGGLGGFGALCKIPKGYEEPVLVSGTDGVGTKLRLALNLNRHDTIGQDLVAMCVNDLLVCGAEPLFFLDYYATGHLNVDVAANVVTGIGKGCELAGCALVGGETAEMPGMYEGEDYDLAGFAVGVVEQSKIIDGSKVKSGDVLIGVASSGAHSNGYSLLRKILDVKNVDLTQ-VIDGRPLADVAMEPTRIYVKPVLELCKQVDVHAMAHITGGGLPGNLPRVLPNGAQAVINEASWEWPELFKLLQREGNVERFEMYRTFNCGVGMVIAVDANDAEKAIEVLNAQGEKAWKIGHIQENAESVEGADEKIRVIFE 5VK4 Chain:B ((23-345)) ---------------------DAGDQLVEKIKPFAKRTMRPEVLGDLGGFGALVEIGKKYQNPVLVSGTDGVGTKLKLAFDWDKHDTVGIDLVAMSVNDILVQGAEPLFFLDYFACGKLDVPRATDVIKGIAQGCEESGCALIGGETAEMPGMYPVGEYDLAGFAVGVVEKENVITGLSVGAGDMVLGLASNGAHSNGYSLIRKIIERDNPDLDAEFDNGKTLREAVIAPTRLYVKPILAALEKFTIKGMAHITGGGITENVPRVLPKNTVAQIDAESWELPKLFQWLQKAGNVETQEMYRTFNCGIGMVVIVAAEDADAVRSFLSGQGETVYRLGCIRERQGN-------------

General information: TITO was launched using: RESULT: Template: 5VK4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1806 -131673 -72.91 -408.92 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -72.91 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.588

(partial model without unconserved sides chains): PDB file : Tito_5VK4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VK4-query.scw PDB file : Tito_Scwrl_5VK4.pdb: