Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFKLSKEKIELGLSRLSPARRIFLSFALVILLGSLLLSLPFVQVESSRATYFDHLFTAVSAVCVTGLSTLPVAHTYNIWGQIICLLLIQIGGLGLMTFIGVFYIQSKQKLSLRSRATIQDSFSYGE-TRSLRKFVYSIFLTTFLVESLGAILLSFRLIPQLGWGRGLFSSIFLAISAFCNAGFDNLGSTSLFAFQTDLLVNLVIAGLIITGGLGFMVWFDLAGHVGRKKKGRL--HFHTKLVLLLTIGLLLFGTATTLFLEWNNAGTIGNLPVADKVLVSFFQTVTM-RTAGFSTIDYTQAHPVTLLIYILQMFLGGAPGGTAGGLKITTFFVLLVFARSELLGLP------HANVARRTIAPRTVQKSFSVFIIFLMSFLIGLILLGITAKGNPPFIHLVFETISALSTVGVTANLT----PDLGKLALSVIMPLMFMGRIGPLTLFVSLADYHPEKKDMIHYMKADISIG 3PJZ Chain:B ((61-482)) ----------KHELKSRDGFLIVVLFWTVLGSAGSLPFLIADNP----NISVTDAFFESFSALTTTGATVIVGLDELPKAILFYRQFLQWFGGMGIIVLAVAILPVLG----IGG------------MTPRIAETAKALWYIYLSLTIACAVAFW--L-A----GMTPFDAISHSFSTIAIGGFSTHD-ASMGYF-DSYAINLITVVFLLISACNFTLHFAAFASGGV-HPKYYWKDPEFRAFIFIQVLLFLVC--FLLLLKHHS-----YTSPYDAFDQALFQTVSISTTAGFTTTGFADWPLFLPVLLLFSSFIGGCAGSTGGGMKVIRILLLTLQGARELKRLVHPRAVYTIKVGGSALPQRVVDAVWGFFSAYALVFVVCMLGLIA---TGMDELSAFSAVAATLNNLGPGLGEVALHFGDVNDKAKWVLIVSMLFGRLEIFTLLILLTPTF-----------------

General information: TITO was launched using: RESULT: Template: 3PJZ.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 : 2011 -245320 -121.99 -625.82 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -121.99 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_3PJZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PJZ-query.scw PDB file : Tito_Scwrl_3PJZ.pdb: