Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHQSDLISQDILAYLKQHEQKDLLRFLTCGNVDDGKSTLIGRLLYDSKLIYEDQLQAVTRDSKKVGTTGDAPDLALLVDGLQAEREQGITIDVAYRYFSTEKRKFIIADTPGHEQYTRNMATGASTADLAIILIDARYGVQTQTRRHTFIASLLGIKNIVVAINKMDLVEYSSERFNEIQVEYDAFVSQLGDRRPANILFVPISALNGDNVVNPSAHTPWYKGQTLMSILESVEINRESSKHEFRFPVQYVNRPNLDFRGFA----GTVALGEIKVGDEIVALPSGK------RSTVKEIVTFDGNLEQAVAGQAVTLTLN--DEIDISRGNVLVRAGEQPLISR---SVRASVVWMNEHP--LVKGKLYNIKIGTQTVPAKVTNINYRVNVNT----LEHTQVEELELNAIADVVVEFDAPVVFDRYQDSRYTGSFIFIDRLSNVTVGAGMVEAAVELTAHSNPVTAEDRAARLGQKPAVIGVSAQLIEKSQALESLLIKQGVVAIAKTSLTAEQLVLLRETGVVIITTSVDGTDTEITAETVEEAVEKIVGLVRL 3WY9 Chain:A ((5-421)) ---------------------KPHVNIVFIGHVDHGKSTTIGRLLYDTGNIPE----TIIKKFE-------SFKFAWVMDRLKEERERGITIDVAHTKFETPHRYITIIDAPGHRDFVKNMITGASQADAAVLVVAATDGVMPQTKEHAFLARTLGIKHIIVTINKMDMVNYDQKVFEKVKAQVEKLLKTLGYK---DFPVIPTSAWNGDNVVKKSDKMPWYNGPTLIEALDQIPEPEKPIDKPLRIPIQDV----YSIKGVGTVPVGRVETGKLKVGDVVIFEPASTIFHKPIQGEVKSIEMHHEPLQEALPGDNIGFNVRGVSKNDIKRGDVAGHTDKPPTVVRTKDTFKAQIIVLN-HPTAITVGYSPVLHAHTAQIPVRFEQILAKVDPRTGNIVEENPQFIKTGDSAI--VVLRPMKPVVLEPVKEIPQLGRFAIRD--MGMTIAAGMV--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WY9.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 : 2177 -117069 -53.78 -300.95 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -53.78 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_3WY9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WY9-query.scw PDB file : Tito_Scwrl_3WY9.pdb: