Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQLSEDQIVKVTGDVSSPKGFQAKGVHCGLRYSKKDLGVIISETPAVSAAVYTQSHFQAAPIKVTQDSLKHGPTLKAVIVNSAIANACTGEQGLKDAYTMRESFASQLGIEPELVAVSSTGVIGEHLDMEKIHAGIELLKETPAGSGDFEEAILTTDTVIKQTCYELAIGGKTVTIGGAAKGSGMIHPNMATMLGFVTTDAAIEEKALQKALREITDVSFNQITVDGETSTNDMVLVMANGCAENECLTEDHPDWPVFKKALLLTCEDLAKEIARDGEGATKLIEAQVQGAKNNLDANVIAKKIVGSNLVKTAVYGTDANWGRIIGAIGHSAAQVTAEEVEVYLGGQCLFKNNEPQPFSESIAKEYLEGDEITIVIKMAEGDGNGRAWGCDLTYDYIKINASYRT 3IT6 Chain:D ((1-205)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TMLCVLTTDAAAEPAALERALRRAAAATFDRLDIDGSCSTNDTVLLLSSGASEIP------PAQADLDEAVLRVCDDLCAQLQADAEGVTKRVTVTVTGAATEDDALVAARQIARDSLVKTALFGSDPNWGRVLAAVGMAPITLDPDRISVSFNGAAVCVHGVGAPGAREV---DLSDADIDITVDLGVGDGQARIRTTDLSHAYVEENSAYSS

General information: TITO was launched using: RESULT: Template: 3IT6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 967 -111375 -115.18 -543.29 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain D : 0.66 3D Compatibility (PKB) : -115.18 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.463

(partial model without unconserved sides chains): PDB file : Tito_3IT6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IT6-query.scw PDB file : Tito_Scwrl_3IT6.pdb: