Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKEKKSVTILTESQLSSRAFKDEAYEFYKELRKSQALYPLSLGALGKGWLISRYDDAIHLLKNEKLKKNYENVFTAKEKRPALLKNEETLTKHMLNSDPPDHNRLRTLVQKAFTHRMILQLEDKIQHIADSLLDKV--QPNKFMNLVDDYAFPLPIIVISEMLGIPLEDRQKFRVWSQAIIDFSDAPERLQENDHLLGEFVEYLESLVRKKRREPAGDLISALIQAESE-GTQLSTEELYSMIMLLIVAGHETTVNLITNMTYALMCHHDQLEKLRQQPDLMNSAIEEALRFHSPVELTTIRWTAEPFILHGQEIKRKDVIIISLASANRDEKIFPNADIFDIERKNNRHIAFGHGNHFCLGAQLARLEAKIAISTLLRRCPNIQLKGEKKQMKWKGNFLMRALEELPISF 2WHW Chain:A ((44-425)) ---------------------FAADPYPTYARLRAEGPAHRVRTPEGNEVWLVVGYDRARAVLADPRFSKDWRNSTTP------LTEAEAALNHNMLESDPPRHTRLRKLVAREFTMRRVELLRPRVQEIVDGLVDAMLAAPDGRADLMESLAWPLPITVISELLGVPEPDRAAFRVWTDAFV-FPDDPAQAQTA---MAEMSGYLSRLIDSKRGQDGEDLLSALVRTSDEDGSRLTSEELLGMAHILLVAGHETTVNLIANGMYALLSHPDQLAALRADMTLLDGAVEEMLRYEGPVESATYRFPVEPVDLDGTVIPAGDTVLVVLADAHRTPERFPDPHRFDIRRDTAGHLAFGHGIHFCIGAPLARLEARIAVRALLERCPDLALDVSPGELVWYPNPMIRGLKALPIRW

General information: TITO was launched using: RESULT: Template: 2WHW.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 : 1873 -23531 -12.56 -62.09 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -12.56 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_2WHW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WHW-query.scw PDB file : Tito_Scwrl_2WHW.pdb: