Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEFVFNGFYTLISAVIVLLLGRFLVNRIDFLERYNIPEPVAGGLVAAVVSLLVHTFWGYSIVFSSELQTSFMLVFFASIGL-SANFMKLKEGGTALVIFLI---CVASFIVVQNAVGMSLATLLGLDPLIGLIAGSITLTGGHGTAGAWGEILESQHGIQGALALGMASATFGLIMCVIGGPLAKLLIN-RYSLAQAKTNAEIQQRDTHVEQNSDDLAPFENPHQVRLITADNAITTLGMFAACLAFAEFMTGFSKGTW-FELPTFVWALGGGVILRNILESVLKVDIFDRAIDVFGNASLSLYLAMALLSLKLWQ-----LADLAGPLVVILVAQTLTMALYAAFVTFRVMGKNYDAAVLAASHCGFGMGATPTAVANMQAITNMYGP--SHKAFLIVPLCGAFFVDLINATVIQLMLKFIA------- 5MG3 Chain:D ((8-619)) MLNRYP-LWKYVMLIVVIVIGLL----------YALPNA-----VQQNINILRNRVNQLGVAEPVVQRQGADRIVVELPGIQDTARAKEILGATATLEFRLVNTNVDQAAAASGRVPGDSEVKQTREGQPVVLYKRVILTGDHITDSTSSQDEYNQPQVNISLDSAGGNIMSNFTKDNIGKPMATLFVEYKDSGKKDANGRAVLVKQEEVINIANIQSRLGNSFRITGINNPNEARQLSLLLRAGALIAPIQIVEERTIGPTLGMQNIEQGLEACLAGLLVSILFMIIFYKKFGLIATSALIANLILIVGIMSLLPGATLSMPGIAGIVLTLAVAVDANVLINERIKEELSNGRTVQQAIDEGYRGAFSSIFDANITTLIKVIILYAVGTGAIKGFAITTGIGVATSMFTAIVGTRAIVNLLYGGKRVKK

General information: TITO was launched using: RESULT: Template: 5MG3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1575 -97337 -61.80 -247.05 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain D : 0.65 3D Compatibility (PKB) : -61.80 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.082

(partial model without unconserved sides chains): PDB file : Tito_5MG3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MG3-query.scw PDB file : Tito_Scwrl_5MG3.pdb: