Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMEVGILPVHVLYVFFIGAIILFMLLRKDTTFISLFGIFIISLWASHSLSASVSSLFHSFIYAAGELLPTIFIICFIVSMSDLLTKTGINEAMISPFASLVRGPVTAYWLIGGLMFAISLFFWPSPGVALIGAVLLPAAARAGLTPLAAAMAMNLFGHGFALSGDFVIQAAPKLTADAAGIPVGDVVSASIPLVLIMGVTTTTAAFIMIQRERKKQEHPTSFSPVLSGEQDNSLYLPKRLRSILAFLIPLAFLADIACMLLFNLQGNDATALIGGSAICILFTVHFFVYKHKGLEKITGYFIDGFKFGFKVFGPVIPIAAFFYLGDSGYESILGTSLPKGSHGIVNDLGIALSHMMPMSKELAATALTAAGAITGLDGSGFSGISLAGSIAKLFSSALHADPAILTALGQISAIWVGGGTLVPWALIPAAAICKVDPFELARKNFIPVAIGLLVTTLAAVMML 4B46 Chain:A ((1-367)) -----------MKLAMIGF------------------------------GQAGGKVVDKFVEYDRERNAGIVRAAVAVN---------------------------------------------SAKADLLGLKNIPKDQRVLIG--QSRVKGHGVGADNELGAEIAEEDIDEVQGAIDSIPVHEV-DAFLVVSGLGGGTGSGGAPVLAKHLKRIYTEPVYGLGILPGSDEGGIYTLNAARSFQTFVRE------VDNLLVFD---NDAWRKTGES-------------VQGGYDEINEEIVNRFGVLF---GSVVDSSEIINTLAGGGVSTVGYASEGVT-------AHTTNRITSLVRKAALGRLTLPCEI---EGAERALLVLAGPPEHLNRKGIERGRKWIEEQTG-SMEVRGGDYPIPGAEKVAGVILLSGVTNVPRIKELQQVAIEAQD--------

General information: TITO was launched using: RESULT: Template: 4B46.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 : 2077 -253153 -121.88 -767.13 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -121.88 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.221

(partial model without unconserved sides chains): PDB file : Tito_4B46.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4B46-query.scw PDB file : Tito_Scwrl_4B46.pdb: