Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDVDQREAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKKQEEEEMDFRSGSPSDNSGAEEMEVSLAKPKHRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSR-ERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFC-GTPEYLAPEVLEDND---YGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFP-----RTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFD-EEFTAQMITITPPDQDDSMECVDSERRPHFPQFSYSASGTA 4UAL Chain:A ((77-419)) ----------------------------------------------------------------------------------------------------------------------------------------------------DFEIIKVIGRGAFGEVAVVKMKNTERIYAMKILNKWEMLKRAETACFREERDVLVNGDCQWITALHYAFQDENHLYLVMDYYVGGDLLTLLSKFEDKLPEDMARFYIGEMVLAIDSIH-QLHYVHRDIKPDNVLLDVNGHIRLADFGSCLKMNDDGTV---VAVGTPDYISPEILQAMEDGKYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHEERFQFPSHVTDVSEEAKDLIQRLICSRERRLGQNGIEDFK---KHAFFEGLNWENI--RNLEAPYIPDVSSPSDTSNFDVDDDVLRNTEILPP----------------------------

General information: TITO was launched using: RESULT: Template: 4UAL.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 : 1534 -30040 -19.58 -101.83 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -19.58 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.289

(partial model without unconserved sides chains): PDB file : Tito_4UAL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ual-query.scw PDB file : Tito_Scwrl_4UAL.pdb: