Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKEKKSVTILTESQLSSRAFKDEAYEFYKELRKSQALYPLSLGALGKGWLISRYDDAIHLLKNEKLKKNYENVFTAKEKRPALLKNEETLTKHMLNSDPPDHNRLRTLVQKAFTHRMILQLEDKIQHIADSLLDKV--QPNKFMNLVDDYAFPLPIIVISEMLGIPLEDRQKFRVWSQAIIDFSDAPERLQENDHLLGEFVEYLESLVRKKRREPAGDLISALIQAESE-GTQLSTEELYSMIMLLIVAGHETTVNLITNMTYALMCHHDQLEKLRQQPDLMNSAIEEALRFHSPVELTTIRWTAEPFILHGQEIKRKDVIIISLASANRDEKIFPNADIFDIERKNNRHIAFGHGNHFCLGAQLARLEAKIAISTLLRRCPNIQLKGEKKQMKWKGNFLMRALEELPISF 4BF4 Chain:D ((44-425)) ---------------------FAADPYPTYARLRAEGPAHRVRTPEGNEVWLVVGYDRARAVLADPRFSKDWRNSTTP------LTEAEAALNHNMLESDPPRHTRLRKLVAREFTMRRVELLRPRVQEIVDGLVDAMLAAPDGRADLMESLAWPLPITVISELLGVPEPDRAAFRVWTDAFV-FPDDPAQAQTA---MAEMSGYLSRLIDSKRGQDGEDLLSALVRTSDEDGSRLTSEELLGMAHILLVAGHETTVNLIANGMYALLSHPDQLAALRADMTLLDGAVEEMLRYEGPVESATYRFPVEPVDLDGTVIPAGDTVLVVLADAHRTPERFPDPHRFDIRRDTAGHLAFGHGIHFCIGAPLARLEARIAVRALLERCPDLALDVSPGELVWYPNPMIRGLKALPIRW

General information: TITO was launched using: RESULT: Template: 4BF4.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 : 1894 -25502 -13.46 -67.29 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.82 3D Compatibility (PKB) : -13.46 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_4BF4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BF4-query.scw PDB file : Tito_Scwrl_4BF4.pdb: