Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHQSDLISQDILAYLKQHEQKDLLRFLTCGNVDDGKSTLIGRLLYDSKLIYEDQLQAVTRDSKKVGTTGDAPDLALLVDGLQAEREQGITIDVAYRYFSTEKRKFIIADTPGHEQYTRNMATGASTADLAIILIDARYG-------VQTQTRRHTFIASLLGIKNIVVAINKMDLVE--YSSERFNEIQVEYDAFVSQLGDRRPANILFVPISALNGDNVVNPSAHTPWYKGQTLMSILESVEINRESSKHEFRFPVQYVNRPNLDFRGFAGTVALGEI-----KVGDEIVALPSGKRSTVKEIVTFDGNLEQAVAGQAVTLTLN--DEIDISRGNVLVRAGEQPLISR--SVRASVVWMNEHP--LVKGKLYNIKIGTQTVPAKVTNINYRVNVNTLEHTQVEELELNAIADVVVEFDA--PVVFDRYQDSRYTGSFIFIDRLSNVTVGAGMVEAAVELTAHSNPVTAEDRAARLGQKPAVIGVSAQLIEKSQALESLLIKQGVVAIAKTSLTAEQLVLLRETGVVIITTSVDGTDTEITAETVEEAVEKIVGLVRL 1SKQ Chain:B ((4-422)) ---------------------KPHLNLIVIGHVDHGKSTLVGRLLMDRGFIDEKTVKEAEEAAKKLGKESEK--FAFLLDRLKEE-----------MRFETKKYFFTIIDAPGHRDFVKNMITGASQADAAILVVSAKKGEYEAGMSVEGQTREHIILAKTMGLDQLIVAVNKMDLTEPPYDEKRYKEIVDQVSKFMRSYGFNT-NKVRFVPVVAPSGDNITHKSENMKWYNGPTLEEYLDQLELPPKPVDKPLRIPIQDV----YSISG-VGTVPVGRVESGVLKVGDKIVFMPAGKVGEVRSIETHHTKMDKAEPGDNIGFNVRGVEKKDIKRGDVVGHPNNPPTVADEFTARIIVVW---HPTALANGYTPVLHVHTASVACRVSELVSKLDPRTGQEAEKNPQFLKQGDVAIVKFKPIKPLCVEKYNEFPPLGRFAMRDMGKTVGVG------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1SKQ.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 : 2058 -902 -0.44 -2.34 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -0.44 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_1SKQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SKQ-query.scw PDB file : Tito_Scwrl_1SKQ.pdb: