Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCMGRLAVNLSMIFTEVPLIERFALAHAEGFEHVEIQFPYEL-----------AISDIQDQLERYNLNLCLINVPAGDLMQGGNGLA-GIPGQEAAFREALQLAIRYATALKVPRVNILAGKQPQDSDLLPCLKTLASNLKLACDLLTEHDIEPVFEMINGTDMPRFLVQNIAQAQEMLEAVNHPALKMQYDCYHMAMMGEDVLEGLQENIHQIGHIQFADCPG----RHEPDTAQIPYEQIFSWIKQSAYEGYIAAEYKPKN------GSNQSFTWKKKYFSDDVNI 3CQJ Chain:B ((16-288)) --QIPLGIYEKALPAG-CWLERLQLAKTLGFDFVEMSVDETDERLSRLDWSREQRLALVNAIVETGVRVPSMCLSAHR----RFPLGSEDDAVRAQGLEIMRKAIQFAQDVGIRVIQLAGYDVYYQEANNETRRRFRDGLKESVEMASRAQVTLAMEIMDY-----PLMNSISKALGYAHYLNNPWFQLYPDIGNLSAWDNDVQMELQAGIGHIVAVHVKDTKPGVFKNVPFGEGVVDFERCFETLKQSGYCGPYLIEMWSETAEDPAAEVAKARDWVKARMAK----

General information: TITO was launched using: RESULT: Template: 3CQJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1303 -284 -0.22 -1.13 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -0.22 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_3CQJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CQJ-query.scw PDB file : Tito_Scwrl_3CQJ.pdb: