Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKEKKSVTILTESQLSSRAFKDEAYEFYKELRKSQALYPLSLG-ALGKGWLISRYDDAIHLLKNEKLKKNYENVFTAKEKRPALLKNEETLTK--HMLNSDPPDHNRLRTLVQKAFTHRMILQLEDKIQHIADSLLDK-VQPNKFMNLVDDYAFPLPIIVISEMLGIPLEDRQKFRVWSQAIIDFSDAPERLQ--ENDHLLGEFVEYLESLVRKKRREPAGDLISALIQAESEGTQLSTEELYSMIMLLIVAGHETTVNLITNMTYALMCHHDQLEKLRQQPDLMNSAIEEALRFHSPVELTT-IRWTAEPFILHGQEIKRKDVIIISLASANRDEKIFPNADIFDIERKNNRHIAFGHGNHFCLGAQLARLEAKIAISTLLRRCPNIQLKGEKKQMKWKGNFLMRALEELPISF 4XE3 Chain:B ((31-407)) -----------------------------YAELRRDEPVSRVRLPYGEGTAWLVTRMSDARIVLGDSRFS-------TAAATDPATPRMFPTPPEPDGVLAQDPPDHTRLRRLVGKAFTARRVEEMRPRVRSLVDSLLDDMVAHGSPADLVEFLAVPFPVAVICELLGVPLEDRDLFRTFSDAMLSST----RLTAAEIQRVQQDFMVYMDGLVAQRRDAPTEDLLGALALATDNDDHLTKGEIVNMGVSLLIAGHETSVNQITNLVHLLLTERKRYESLVADPALVPAAVEEMLRYTPLVSAGSFVRVATEDVELSTVTVRAGEPCVVHFASANRDEEVFDHADELDFHRERNPHIAFGHGAHHCIGAQLGRLELQEALSALVRRFPTLDLAEPVAGLKWKQGMLIRGLERQIVSW

General information: TITO was launched using: RESULT: Template: 4XE3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1762 9102 5.17 24.60 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : 5.17 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_4XE3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XE3-query.scw PDB file : Tito_Scwrl_4XE3.pdb: