Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCMGRLAVNLSMIFTEVPLIERFALAHAEGFEHVEIQFPYEL-----------AISDIQDQLERYNLNLCLINVPAGDLMQGGNGLA-GIPGQEAAFREALQLAIRYATALKVPRVNILAGKQPQDSDLLPCLKTLASNLKLACDLLTEHDIEPVFEMINGTDMPRFLVQNIAQAQEMLEAVNHPALKMQYDCYHMAMMGEDVLEGLQENIHQIGHIQFADCPG----RHEPDTAQIPYEQIFSWIKQSAYEGYIAAEYKPKN------GSNQSFTWKKKYFSDDVNI 3CQI Chain:A ((15-288)) -KQIPLGIYEKALPAGECWLERLQLAKTLGFDFVEMSVDETDERLSRLDWSREQRLALVNAIVETGVRVPSMCLSAHR----RFPLGSEDDAVRAQGLEIMRKAIQFAQDVGIRVIQLAGYDVYYQEANNETRRRFRDGLKESVEMASRAQVTLAMEIMDY-----PLMNSISKALGYAHYLNNPWFQLYPDIGNLSAWDNDVQMELQAGIGHIVAVHVKDTKPGVFKNVPFGEGVVDFERCFETLKQSGYCGPYLIEMWSETAEDPAAEVAKARDWVKARMAK----

General information: TITO was launched using: RESULT: Template: 3CQI.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 : 1347 2238 1.66 8.88 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 1.66 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_3CQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CQI-query.scw PDB file : Tito_Scwrl_3CQI.pdb: