Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSCYLITGGAGFIGSTLANHLGEEHV-VIVVDDLSMGKVENLDMTKNITFIEGDVAEKSLMEEIMKANKFDYIFHLAAVASVADSVARPVETHRVNFESVLMILELIRKYQPDLKRIVFSSSA-AVYGDEPTLPKKEESVI-RPLTPYAVDKFAAEQYVLDYCHLYDVPGSAVRFFNVYGPNQNPNSPYSGVISILVDRYKKQIVGEATSFTLFGDGSQSRDFVYIDDVIQALLLVANEEAALGKQFNVGTGKATTLLELIHAINEILGVELTLEYKEERSGDIHDSLADITKIQSIGYQPKYGILSGMTNYLKTEIN 2P5U Chain:C ((4-300)) ----LVTGGAGFIGSHIVEDLLARGLEVAVLDNLATGKRENV--PKGVPFFRVDLRDKEGVERAFREFRPTHVSHQAAQASVKVSVEDPVLDFEVNLLGGLNLLEACRQY--GVEKLVFASTGGAIYGEVPEGERAEETWPPRPKSPYAASKAAFEHYLSVYGQSYGLKWVSLRYGNVYGPRQDPHG-EAGVVAIFAERVLKGLPVTLYARKTPGDEGCVRDYVYVGDVAEAHALALF---SLEGIYNVGTGEGHTTREVLMAVAEAAGKAPEVQPAPPRPGDLERSVLSPLKLMAHGWRPKVGFQEGI---------

General information: TITO was launched using: RESULT: Template: 2P5U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1753 -24055 -13.72 -81.82 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : -13.72 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_2P5U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2P5U-query.scw PDB file : Tito_Scwrl_2P5U.pdb: