Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MNDFTTEIVQTLVTKGDLNELFRSHLEKAINTLLRTELTAFLDYEKYDRTGFNSGNSRNGSYFRSIKTEYGELTLEIPRDRNGEFKQQTLPAYKRTNDTLETTIIHLFEKGVTMSEIADLIEKMYGHHYTPQTMSNMTKVLTEEVNAFKSRALNDKYVAIFMDATYIPLKR-QTVSKEAIYIAIGIREDGTKEVLSYAIAPTESTYVWNELLQDINSRGVQEVLLFITDGLKGMKDTIHQIYPKAKYQHCCIHVSRNIAHKVRVKDRK--EICDDFKAVYQANSKEEANTFLSGMIEKWKKNYPKVTQSLIENQDLLTFYDFPPSIRRTIYSTNLIESFNKQIKRYSRRKEQFQNEESLERFLVSIFDTYNQKFLNRSHKGFQQVTDTLVSMFTE---------------------------------------------------------------- 5IFE Chain:C ((463-1304)) NLPFLKPDDIQYFDKLLVDVDESEEQKERKIMKLLLKIKNGTPPMRKAALRQITDKAREFGAGPLFNQILPLLMSPTLEDQERHLLVKVIDRILYKLDDLVRPYVHKILVVIEPLLIDEDYYARVEGREIISNLAKAAGLATMISTMRPDIDNMDEYVRNTTARAFAVVASALGIPSLLPFLKAVCKSKKSWQARHTGIKIVQQIAILMGCAILPHLRSLVEIIEHGLVDEQQKVRTISALAIAALAEAATPYGIESFDSVLKPLWKGIRQHRGKGLAAFLKAIGYLIPLMDAEYANYYTREVMLILIREFQSPDEEMKKIVLKVVKQCCGTDGVEANYIKTEILPPFFKHFWQHRMALDRRNYRQLVDTTVELANKVGAAEIISRIVDDLKDEAEQYRKMVMETIEKIMGNLGAADIDHKLEEQLIDGILYA-FQEQTTEDSVMLNGFGTVVNALGKRVKPYLPQICGTVLWRLNNKSAKVRQQAADLISRTAVVMKTC-----QEEKLMGHLGVVLYEYLGEEY-PEVLGSILGALKAIVNVIGMHKMTPPIKDLLPRLTPILKNRHEKVQENCIDLVGRIADRGAEYV---------SAREWMRICFELLELLKAHKKAIRRATVNTFGYIAKAIGPHDVLATLQNRVCTTVAIAIVAETCSPFTVLPALMNEYRVPELNVQNGVLKSLSFLFEYIGEMGKDYIYAVTPLLEDALMDRDLVHRQTASAVVQHMSLGVYGFGC-------EDSLNHLLNYVWPNVFET----SPHVIQAVMGALEGLRVAIGPCRMLQYCLQGLFHPARKVRDVYWKIYNSIYIGSQDALIAHYPRIYNDDKNTYIRYELDYIL

General information: TITO was launched using: RESULT: Template: 5IFE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1632 13057 8.00 35.77 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.56 3D Compatibility (PKB) : 8.00 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.183

(partial model without unconserved sides chains): PDB file : Tito_5IFE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IFE-query.scw PDB file : Tito_Scwrl_5IFE.pdb: