Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MNAVVIAVLLMLVLSLLRVNIVIALIIGALAGGLTGGLGLGETVKAFTDGL----GGNATVAVSYAMLGAFA---------AALTKTGLPDAMVEASVKLIGNKEDSRK-----KALSKVLIVLIILIVSCFSQNVVPVHIAFIPVLIPPLLKIFNELEMDRRLIACVITFGLTAPYILLPVGFGQIFQGMLKDNMADAGLNVPLADIPYALIIPVAGMVVGLILSVIVYRKPKQYETKDISGAEASPYTRKSIGIAVLAIVVSLGVQLYLSQTLGVEGMIMGALAGLIVLFVSGVMKRDEADSLITDGMVLMAFIGFVMLVAAGFSNVLTKTGDVESLVKTSAGFIGH--SQSLGALLMLIVGLLITMGIG----SSFATIPVITTIFVPLCMQLGFSPMATIAIIGAAAALGDAGSPASDSTLGPTSGLSADGQHHHIWDTCVPTFIFYNIPLVIFGWIAALVL---------- 3MK7 Chain:A ((5-470)) TSTAYSYKVVRQFAIMTVVWGIVGMGLGVFIAAQLAWPFLNFDLPWTSFGRLRPLHTNAVIFAFGGCALFATSYYSVQRTCQTTLFAPKLAAFTFWGWQLVILLAAISLPLGFTSSKEYAELEWPIDILITIVWVAYAVVFFGTLAKRKVKHIYVGNWFFGAFILTVAILHVVNNLEIPVTAMKSYSLYAGATDAMVQWWYGHNAVGFFLTAGFLGIMYYFVPKQAERPVYS-----YRLSIVHFWALITVYIWAGPHHLHYTALPDWAQSLGMVMSLIL-----LAPSWGGMINGMMTL--SGAWHKLRSDPILRFLVVSLAFYGMSTFEGPMMA-----IKTVNALSHYTDWTIGHVHAGALGWVAMVSIGALYHLVPKVFGREQMHSIGLINTHF--WLATIGTVLYIASMWVNGIAQGLMWRAINDDGTLTYSFVESLEASHPGFVVRMIGGAIFFAGMLVMAYNTWRTVQAAKPAEYDAA

General information: TITO was launched using: RESULT: Template: 3MK7.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 : 2145 -261106 -121.73 -617.27 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -121.73 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.177

(partial model without unconserved sides chains): PDB file : Tito_3MK7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MK7-query.scw PDB file : Tito_Scwrl_3MK7.pdb: