Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQDRLISGTEKPEDHFDRAIRPTSLADYIGQPVVREQMEIFIGAARGRGEALDHTLIFGPPGLGKTTLANIIAREMGGNLKSTSGPVLERAGDLAAMLTNLEEGDVLFIDEIHRLSPVIEEILYPAMEDYQLDIMIGEGPAARSIKLDLPPFTLVAATTRAGLLTSPLRDRFGIVQRLEFYSVEDLTHIVSRSANLMDVPITVEGAEEVARRSRGTPRIANRLLRRVRDYAQVKGTGEVNHEMAQRALDMLNVDKAGLDTLDRRYLSMLLERFDGGPAGVEALAAAMAEDSGTLEDVIEPYLIQQGYVMRTARGRIATNQSYLQFGMTPPEPKN 1IN5 Chain:A ((19-329)) -------------------LRPKSLDEFIGQENVKKKLSLALEAAKMRGEVLDHVLLAGPPGLGKTTLAHIIASELQTNIHVTSGPVLVKQGDMAAILTSLERGDVLFIDEIHRLNKAVEELLYSAIEDFQIDIM------------DIQPFTLVGSTTRSGLLSSPLRSRFGIILELDFYTVKELKEIIKRAASLMDVEIEDAAAEMIAKRSRGTPRIAIRLTKRVRDMLTVVKADRINTDIVLKTMEVLNIDDEGLDEFDRKILKTIIEIYRGGPVGLNALAASLGVEADTLSEVYEPYLLQAGFLARTPRGRIVTEKAYKHLKYEVP----

General information: TITO was launched using: RESULT: Template: 1IN5.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 : 1515 -175697 -115.97 -587.62 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -115.97 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_1IN5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IN5-query.scw PDB file : Tito_Scwrl_1IN5.pdb: