Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MNKLKLKGRPRKGKFECFSTQ------AWFYAVQMVSNIGTAYALEKVFFPTRFKTVKGKIIRPRLFDRYK-MGTITVGKKLVQQVEASYTNT-ALWFN-----------AVLWKILDERCD-DFELNAWFRSLDQNLMQFFFKSTLTVDDSIKIQVKKINQ-KNFKKLKNY-----ELLDVFTLVVLAIQM--SIEKKDMDSLDKALYGYHQIRRTLQEHPIFSKFYE------NLLSTLELHFIQQ-------GEHTFGSPIALML------WEYDPMMSVHPQMRMATISEGKS--VQQTISDASYLVKAQVCCFE---------------KYYCNSDLKATIRLYYSIPLGLSLLPNVDSTVLIPFAKKF-FPLARFPEIIAQDKE----NMIAMTMMFGDELDWESLESMVGIAV---------LQEIVYFN----EDRFVETHTRFWQERLGLIK 5LJ3 Chain:S ((37-556)) ILDLEELREYQRRKRTEYEGYLKRNRLDMGQWIRYAQFEIEQHDMRRARSIFERALLVDSSFIPLWIRYIDAELKVKCINHARNLMNRAISTLPRVDKLWYKYLIVEESLNNVEIVRSLYTKWCSLEPGVNAWNSFVDFEIRQKNWNGVREIYSKYVMAHPQMQTWLKWVRFENRHGNTEFTRSVYSLAIDTVANLQNLQIWSDMEVAKLVNSFAHWEAAQQEYERSSALYQVAIEKNQLLKAGLLDFEKQFNSIEETISYKRKMDYETILSNYDTWWLYLDLISEFPKQIMQTFEKAIVDSKNVQWKRYIYLWMRYICYVELESLLEEELFQRLIDDIFSKIWLMYAKFLIRDVPKARKILGKAIGTFKGYIELEVKLEFDRVRKIYEKFIEFQDLQIWSQYGELEENGDWDRVRGIYTIALDEKEAKIVLLQKYITFEARKLYRRYLELNPQSWIEFAMYQT

General information: TITO was launched using: RESULT: Template: 5LJ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1310 -51738 -39.49 -136.51 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain S : 0.65 3D Compatibility (PKB) : -39.49 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.210

(partial model without unconserved sides chains): PDB file : Tito_5LJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LJ3-query.scw PDB file : Tito_Scwrl_5LJ3.pdb: