Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLPSMSLHWSEGDNGGGSLGGSRRSFSKGSIYRHHFLSLDHSSARDVAVGLSRDVTNDRRATGTSAGFEWLQPWRTPQDCREGGVALLYSMQEVLENVRRARKTSLSELYAARGAGSPAASTTSLCHPQHLCPPRAATSGSSDDAEGRCGSVGEKSSCSAAGSRTSSVDRRRQRDRGERNVSVGKGVRSASDDSVQGIELATEVGRVAFSPPLQTATAAAASVPPIVPVIPRFSEVKTEQELIHQRQQQQPQPHPRSEAAKRRRCALANSGDDDDDAARSPHHPDASCPSGGCDQTARPGDSRHRPGMSVEWSGSDSNGDEPEALAQRRHASGVSADDDDVDTSNVHHGKDEERDEEEDRLSETDFGEGGHLACVPGDTLHQRYTLLKALGVGRSSRVWLAVDLEQCSLARCQLIRELGEREVRRLFRTLERPMFVAIKVFRCDPAYADCATYELKLSALIHENVMRRRQQQQQQQQRWPPARASHSASLPSSPIAVPAACDDPGGDLQESSDGGENSTSRPCDEAAVRTRADPTSSTPRSGRISNSGSVSAEVASPASTSATAFSGRLTTVRDAFAVEGAFGTHQCLVMDVLGAGVDRAINEAHLNGFPSAVARSIMQSSLQGLVLLAACHLVHTDIKPENLFFTDLEDDVAEEMLTFQSAQLHASQRQTLCSSFAHRSTAASVMMEREEVAAHEQQQQQHHGDGGTAEHTGVGQRSPFSDPSLPDYTHVDEAAADLHTVHAANAADAGASGDRVASSVTTLSAVAGGHDTLHSSQDSIAQVSRRPNFARTPTRRRSAYDVRLSGLGLSLVVPPCLRLGVRVLANYAADGGGMTADELVRQDPLEQLHWLCAQQQARLLRLPGDDDDDGLGSVAE--PWREERWRLA--GACAPAESPPPPTLDIGMSEDFIDEAELRALGLQELPKSDADGGRCAAGMAPDEYEEADVTDFVGVPAVDKPAAHHRTTVTTADVGVVGGTLPPATWRTASAATRAGGGRRTPLAAAKRRL------FAQCFHEGLATPRDPATVLTRCEGVAAASPTDSSSNSSSGAAPPAGAAAAAAAAA------TVLRRLECEIVR-----HQNYRRGAVLQSREYRAPEVLLGDFVLPACDIWSMGCIAYELVSGRFLIDCIVDRERFATAL--------SWQQQQRHGRKGCRAPDDD---GGGAHDAKDHSRDDD------EDTQQRLNKWDGRPVYLEDTEQDLDVFHLKAIMRLLGPPPVSFLRQQPIGLFIDDFFDEHGNFRFWERGEAQEAGMRLADPYRQLELTHWAAASRVSGASVAVGSGADRQQSPPLPESVSGVAASLDTDPPGAPSAASVGQHVASAQARRDPQDTMNYPIRTPAWQDVQAILREKLGSAEEAADFEVFLRRCLQWDPARRATAAELLADKWLVKYSGVVADASESDVVAEKEGGGDSDGEERRL 5KCV Chain:A ((20-452)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IVKEGWLHKRGEYITWRPRYFLLKNDGTFIGYKERPAPLNNFSVAQCQLMKTER--------PRPNTFIIRCLQWT-----TVIERTFHVETPEEREEWTTAIQRVTMNEFEYLK-LLGKGTFGKVILVKEKATGRYYAMKILKKVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCP--EYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYF---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5KCV.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 : 1528 45639 29.87 144.88 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 29.87 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.101

(partial model without unconserved sides chains): PDB file : Tito_5KCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KCV-query.scw PDB file : Tito_Scwrl_5KCV.pdb: