Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQDNIISIENIKKYILPAYSLYNADITMVKF--KDTDKQRAVFKVILNNKSYC--LKKVYYDEENLLFVYSAMEWLYRNGV-NVPKLLPTKDNNRFFYFENMLFILTPWVSGEKCNFDSIYDVRLSSKTLAKLHKVTKNF--TSIPGS-KERFGLEDYH---LSISKHFNDILQNANLANNYNDKFSKIFLENLNSNLELAKLSLEISSSIKMDNLSTSLCHGDYVNKNIIISSNEDIWIIDFDKCKYDYCAHDIAYFLRRLLKRPNTNWNSALTIDVLNHYMSINDLNSSDLKYILAYLAFPQKYWKISRDYYKNINKCKNAFVAILEKGLNRSQEQLDYINNMMEVLERYYNVKFK 3Q2M Chain:A ((19-233)) -----------------------YGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYHDEINL----SIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNG-----FTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDE-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3Q2M.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 : 572 4529 7.92 22.20 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 7.92 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.260

(partial model without unconserved sides chains): PDB file : Tito_3Q2M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3q2m-query.scw PDB file : Tito_Scwrl_3Q2M.pdb: