Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKVFLQNRDFRQLTINQWISTLGDTIFYLAFLNYVAD------ASFAPLAILLITISETLPQ-VLQIFLGVLADF-QHHRVLKYTVISFAKFLLYSIVSLSLSGQSFSLLLVAFICLINLLSDTLSYFSGAMLTPIFIRIIGQ--DHLAEAIGFKQSTVSLVKTISNILGGVLLGILSIQFISLLNALTFLIAFLGILFIKTDLLKVEK-----TINYQEGLSVK---------------------------------------------SFCQHLLQSSKLIWNMNKVLLVLFIISTSQAVINVTVPVSTLFLRNQPFLNLQT---GQSLALLSTFELSALIVGSLVSGYLQHTISIKT-----ALYASLVIQLLLLVGFA-TV--------RFDWILIFSTLDAFFAGVLSPRLQELVFKQIPEESMGAVQSSISAITVVLPSLFTISLVTIATSFGTLAVSFVLLLFLLVAFVMLLNIRESI 4IKY Chain:A ((21-479)) ------HPKGLFTLFFTEFWERFSYYGMRAILVYYMYYEVSKGGLGLDEHLALAIMSIYGALVYMSGIIGGWLADRVF-GTSRAVFYGGLLIMAGHIALAI-----PGGVA---ALFVSMALIVLGTGLLKPNVSSIVGDMYKPGDDRRDAGFSIFYMGINLGAFLAPLVVGTAGMKYNFHLGFGLAAVGMFLGLVVFVATRKKNLGLAGTYVPNPLTPAEKKKAAAIMAVGAVVIAVLLAILIPNGWFTVETFISLVGILGIIIPIIYFVVMYRSPKTTAEERSRVIAYIPLFVASAMFWAIQQQGSTILANYA-DKR-TQLDVAGIHLSPAWFQSLNPLFIIILAPVFAWMWVKLGKRQPTIPQKFALGLLFAGLSFIVILVPGHLSGGGLVHPIWLVLSYFIVVLGELCLSPVGLSATTKLAPAAFSAQTMSLWFLSNAAAQAINAQLVRFYTPE-NETAYFGTIGGAALVLGL---------

General information: TITO was launched using: RESULT: Template: 4IKY.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 : 1508 -226565 -150.24 -593.10 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -150.24 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_4IKY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IKY-query.scw PDB file : Tito_Scwrl_4IKY.pdb: