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 3I0O Chain:A ((19-233)) -----------------------YGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYHDEINL----SIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNG-----FTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDE-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I0O.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 : 558 5299 9.50 25.98 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 9.50 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.266

(partial model without unconserved sides chains): PDB file : Tito_3I0O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i0o-query.scw PDB file : Tito_Scwrl_3I0O.pdb: