Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFYKNILTLSILAAISIPVFAAENENVEKLETIRIKAHPLEQTSKDFAVADTVVDQKHLTE-GAATIGDALNSEVGIYANQFGAGSSRPVIRGQDGPRVKVLQNSSENVDVSTL---SPDHAVTVDPVLAKQVEVIRGPSTLLFGAGTVGGLVNVIDNKIPTQIPENGYEGQVGLRYNTGSD----E-KLASAGVTVGL-GSQVALRIEGLTRD--ANNYIAPNYIHEGEKERRVDNTFAQGDSVNVGLSWVYD-RGYTGISYSNRRDQYGLPGHSHEYETCHIHDLSLHCGDHDHEGHSDEEAHDHEHEHGGPWIDLKSERYDFKTELNDPFAGFQKLRAQASYTDYQHDEIEEGTIATRFQNKGYDGRIELVHN-PIADWEGVIGTQLGQQKLNLTGE--EAFMAPTTTKKWSVFALEHKQWK-DVHFELSARADQQEIDVDDNSKQDFDGSAFSYAGAANWEFAPNYKLSFVASHQERLPLAQELYANGGHFA--TNTYELGNDQLSKEKSNNVELGLHFDN-----DKLDYHLHVYHNWFDDYIYAQTLDRY------------------KDFRLV-QYTQDKARFYGAEGEIGYQITPMYKISAFGDYVRGKID---AEGNAPRIPAGRLGTKVDADFG--DGFSGSAEYYHVFNQDKIAAYETETEGYNMLNLGVAYSGQYGAKTDYRVYLKANNLLDDTVYQHASFLSNIPQVGRNFTVGVDFSF 2HDI Chain:A ((7-639)) -------------------------------ETMVVTASSVEQNLKDAPASISVITQEDLQRKPVQNLKDVLKEVPGVQLTNEGDNRKGVSIRGLDSSYTLILVDGKRVNSRNAVFRHNDFDLNWIPVDSIERIEVVRGPMSSLYGSDALGGVVNIITKKIGQ-KW----SGTVTVDTTIQEHRDRGDTYNGQFFTSGPLIDGVLGMKAYGSLAKREKDD------------------EGFSSRDGNVEFAWTPNQNHDFTAGYGFDRQDRDS---------------------------------------N--RLERQNYSVSHNGRWDYG-----TSELKYYGEKVENKN--PGN-SSPITSESNTVDGKYTLPLTAINQFLTVGGEMRHDKMSDAVNLTGGTSSKTSASQYALFVEDEWRIFEPLALTTGVRMDDHET----------YGEHWSPRAYLVYNATDTVTVKGGWATAFKAPSLLQLSPDWTSNSCRGACKIVGSPDLKPETSESWELGLYYMGEEGWLEGVESSVTVFRNDVKDRISISRTSDVNAAPGYQNFVGFETGANGRRIPVFSYYNVNKARIQGVETELKIPFNDEWKLSINYTYNDGRDVSNGENKPLSDLPFHTANGTLDWKPLALEDWSMYMSGHYTGQK----------GGYTIWNTGAAWQVT----KDVKLRAGVLNLGDKDLSR--------NEDGRRYFMAVDYRF

General information: TITO was launched using: RESULT: Template: 2HDI.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 : 3302 122271 37.03 222.31 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 37.03 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.135

(partial model without unconserved sides chains): PDB file : Tito_2HDI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HDI-query.scw PDB file : Tito_Scwrl_2HDI.pdb: