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 3TKU Chain:B ((91-431)) ----------------------------------------------------------------------------------------------------------------------------------------------------DFEIIKVIGRGAFGEVAVVKMKNTERIYAMKILNKWEMLKRAETACFREERDVLVNGDCQWITALHYAFQDENHLYLVMDYYVGGDLLTLLSKFEDKLPEDMARFYIGEMVLAIDSIH-QLHYVHRDIKPDNVLLDVNGHIRLADFGSCLKMNDDGTVQSSVAVGTPDYISPEILQAMEDGMGKYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHEERFQFPSHVTDVSEEAKDLIQRLICSRERRLGQNGIEDFK---KHAFFEGLNWENI--RNLEAPYIPDVSSPSDTSNFDVDDDVLRNTEILPP----------------------------

General information: TITO was launched using: RESULT: Template: 3TKU.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 : 1564 -29643 -18.95 -99.47 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -18.95 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.290

(partial model without unconserved sides chains): PDB file : Tito_3TKU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tku-query.scw PDB file : Tito_Scwrl_3TKU.pdb: