Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MISKEKRTSILYSFIALLFSIALYFNA---NGQSVPNTLSGNEAYNQTVTGVPIKISYDSKRYYIHGYENAVTVKLSSANRVQLNAEANEDTRMFRVTADITKL-GEGTH--------EVPLKIQNLSSAVTAKIEPSTITVTVEKKVIKDFDVETLIPSTFTPSGYELDDTSVSPKKVSITTGDKTLAEIKRVVADVDASMVTDDGINSEVPIQALNAAGEVLSIVSDPVQVTVRADSIKPSKSVRLYGIQQGTPAAGVESYDFSFSKLEAEVSGSSDLLASIGDSIAVPINVSGINHRTTRKIEIPVEE-GLSIKPESVSVEITPVLQTSSSSSASTSSRTQENTSTSRSISS-ADSGTEPSTTTISSSSESGTSSSTTSTEETSETSESTQMSRTNSSEN 4XFK Chain:A ((9-399)) AEPLKIALVETLSGPQASTGLLYRAAVLYQLGKINEAGGFNGEKIQILEYDNQGGPVGAADRVKAAIADGAQIIVQGSSSAVAGQITEDVRKYNLRNKGKEVLYLNLGAEALELTGSKCHFYHFRFSPNAAIRFKTVAQGMKDKGILGERAYSINQNYSWGVDVENTVVANAKEIGYEVVDKTLHEVN-KIQDFSPYVAKIQA--ANVDTVFTGNWSNDLLLLMKAASGAGLKAKFATSFLDQPGNIGNAGAIAEGHIVSTPFNPEANGEAS--MAFAEDYKKVTGHYPSYVEPAAVFGLQLFGEALKNVKPGEGKINTTDIALAIENASVKTPMGDYSMRSDDHQAKFPMVVQEVSKKARIKADGTEYGFLPFKTF-------------TGDESIDPVQESCSMKRPG----

General information: TITO was launched using: RESULT: Template: 4XFK.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 : 2265 166606 73.56 453.97 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 73.56 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.115

(partial model without unconserved sides chains): PDB file : Tito_4XFK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XFK-query.scw PDB file : Tito_Scwrl_4XFK.pdb: