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 3WYA Chain:A ((5-421)) ---------------------KPHVNIVFIGHVDHGKSTTIGRLLYDTGNIP---------------------KFAWVMDRLKEE----------HTKFETPHRYITIIDAPGHRDFVKNMITGASQADAAVLVVAATDGVMPQTKEHAFLARTLGIKHIIVTINKMDMVNYDQKVFEKVKAQVEKLLKTLGYK---DFPVIPTSAWNGDNVVKKSDKMPWYNGPTLIEALDQIPEPEKPIDKPLRIPIQDV----YSIKGVGTVPVGRVETGKLKVGDVVIFEPASTIFHKPIQGEVKSIEMHHEPLQEALPGDNIGFNVRGVSKNDIKRGDVAGHTDKPPTVVRTKDTFKAQIIVLN-HPTAITVGYSPVLHAHTAQIPVRFEQILAKVDPRTGNIVEENPQFIKTGDSAI--VVLRPMKPVVLEPVKEIPQLGRFAIRD--MGMTIAAGMV--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WYA.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 : 2050 -115980 -56.58 -314.31 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -56.58 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_3WYA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WYA-query.scw PDB file : Tito_Scwrl_3WYA.pdb: