Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLSEMLQETTQFILDKGVKEIDFGLILGSGLGELADEIEDAVMISYDEIPFFPVSTVVGHAGKLVYGSLAGKKVLAMQGRFHYYEGHSMQTVTYPVRVMAGLGAHSVIVTNACGGVNESFVPGDLMLITDHIN---FTGENPLIGPNEDAMGPRFPDMSQAYTPDYQATAKAAAEKLG--LDLKEGVYMGYSGPTYETPAEIRMSRTIGADAVGMSTVPEVIVAAHSGLKVLGISCITN---LAAGMQANLSHEEVVETTQRVKQSFKALVKETLTLL 4PNP Chain:A ((8-275)) -----EDYQDTAKWLLSHTEQRPQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPESTVPGHAGRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDTESQGKANHEEVLEAGKQAAQKLEQFV-------

General information: TITO was launched using: RESULT: Template: 4PNP.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 : 1442 -127476 -88.40 -490.29 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -88.40 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.601

(partial model without unconserved sides chains): PDB file : Tito_4PNP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PNP-query.scw PDB file : Tito_Scwrl_4PNP.pdb: