Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHPYAPTLQRVLLFGLFFILIFLGFNILKYFIVPVLWAAIIAYMTWPIYLRIQH-----------FF----GENRNNLNATVMISLVILIVGVPFTCAIF----------------------ILQHEGRNLYFDLQRQVFSGHLSVPDFIRNLPFIGKEISRTLNEINTDPNSTIQNIAAWVQSHLSYGRVLLNEISKNIVKL-------CFAILSLFFFYRDGHTILTQVSKALEMVIG---PRIHHYLDTISETTRAVVYGVGLTAIAQAVLAGLSYFVAGVPNPMVLTIATFLLALIPFGTPVSYLGVGLWLFS----------QGQTMEAIGVILWGVLIVSSSDNVIRPLVISGATQIPFLLIMFGVLGGIASFGLVGLFIGPVILAVLLAI-----------------WREWLHETIDPEPMPKTTMIYDSDDDLPPSKN------------------------- 5T77 Chain:A ((4-470)) --LFSSILFSIATFFSRILGLFRDVLFAKYFGVSYELDAYFIAIMFPFFLRKVFGEGAMSSAFVPLYSEKSGEEKDKFLSSVINGFSLIILALVILSYFFPELIINLFGAGSSHETKILAKKLLLITSPSIYFIFLWAISYSILNTNNKF-FWPALTPSISNITIIIGTFL-STKYGIISPTIGFLIGSILMFFSIIKSIIKHKYYFTIKHFPHFLKLFFPTFMTMVVSQINTVVDMNVVSFYDKGSISYLQYASRFYLLPYGLFAVSVSTVVLSKISNDRKNFNYHLNDALKTTLFFTIPSMVGLIFLSTPIIRFFYEHGAFTSKDTLITSKILIAYTLGLPFYGIYSTISRSYHAIKNTKTPFIAATIVSLSNIILDIIFGLKYGPIGVALATSIAGIIGVLYLLFSVKTFPIKDFLKISLNSLIMLFVIYLTDFTDNEFWFLIQILIGILVYLIFSSIFYRDLIRRFL

General information: TITO was launched using: RESULT: Template: 5T77.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 : 1601 -181145 -113.14 -492.24 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -113.14 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.190

(partial model without unconserved sides chains): PDB file : Tito_5T77.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5T77-query.scw PDB file : Tito_Scwrl_5T77.pdb: