Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKITFIGAGSTIFAKNVLGDCLLTEALNGFEFALYDIDPKRLQESQLMLENLRDR---YNPSVAINSYDDRKLALQNAGYVINAIQVGGYKPSTVIDFEIPKRYGLRQTIADTVGIGGIFRSLRTIPVLFDIAKDMEEMCPDAWFLNYTNPMATLTGAMLRY---TNIKTIGLCHSV--QVCTKDLFKALGMEHDGIEERIAGINHMAWLLEVKKDGTDLYPEIKRRAKEKQKTKHHDMVRFELMDKFGYYVTESSEHNAEYHP--YFIK--RNYPELISELQIPLDEYPRRCVKQ-IENWEKMRDDIVNNKNLTHERSKEYGSRIIEAMETNEPFTFGGNVLNTGLITNLPSKAVVEVTCVADRKKITPCFAGELPEQLAALNRTNINTQLMTIEAAVTRKKEAVYQAAMLDPHTSAELSMKDIISMCDDLFAAHGDWLPEYK 4ND2 Chain:A ((4-301)) RRKIAVIGSGQIGG--NIAYIVGKD-N--LADVVLFDIAEGIPQGKA---LDITHSMVMFGSTSKVIGTNDY-ADISGSDVVIITASIPGRPKDD-RSEL----------------------LFGNARILDSVAEGVKKYCPNAFVICITNPLDVMVSHFQKVSGLPHNKVCGMAGVLDSSRFRTFIAQHFGVNASDVSANVIGG-----------HGDGMVPATSSVSVGG-------------------VPL------SSFIKQGLITQEQIDE--IVCH-----------TRIAWKEVAD----NLKTGTA--YFAPAAAAVKMAEAYLKDKKAVVPCSAFCSNH-YGVK-GIYMGVPTIIGKNGVEDILELDLTPLEQKLLGE----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ND2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1630 -71060 -43.59 -249.33 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -43.59 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_4ND2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ND2-query.scw PDB file : Tito_Scwrl_4ND2.pdb: