Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKIVINGGLPLQGEITISGAKNSVVALIPAIILADDVVTLDCVPDISDVASLVEIMELMGATVKRYDDVLEIDPRGVQNIPMPYGKINSLRASYYFYGSLLGRFGEATVGLPGGCDLGPRPIDLHLKAFEAMGATASYEGDNMKLSAKDTGLHGASIYMDTVSVGATINTMIAAVKANGRTIIENAAREPEIIDVATLLNNMGAHIRGAGTNIIIIDGVERLHGTRHQVIPDRIEAGTYISLAAAVGKGIRINNVLYEH-LEGFVAKLEEMGVRMTVSEDSIFVEEQS-NLKAINIKTAPYPGFATDLQQPLTPLLLRANGRGTIVDTIYEKRVNHVFELAKMDADISTTNGHILYTGGRD-LRGASVKATDLRAGAALVIAGLMAEGKTEITNIEFILRGYSDIIEKLRNLGADIRLVED 4R7U Chain:C ((9-422)) ----VIGSTQPLQGEVTISGAKNAALPILFASILAEEPVEVANVPHLRDIDTTMELLERLGAKVERNGSV-HVDAGPINQYCAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGCAIGARPVDLHIHGLEQLGATITLEDGYVKAHV-DGRLQGAHIVMDKVSVGATITIMCAATLAEGTTVLDNAAREPEIVDTAMFLNKLGAKISGAGTDSITIEGVERLGGGKHAVVPDRIETGTFL-VAAAVSRGKIVCRNTHAHLLEAVLAKLEEAGAEIECGEDWISLDMTGRELKAVTVRTAPHPGFPTDMQAQFTLLNMMAKGGGVITETIFENRFMHVPELKRMGAK-AEIEGNTVICGDVDRLSGAQVMATDLRASASLVIAGCIAKGETIVDRIYHIDRGYERIEDKLSALGANIERFRD

General information: TITO was launched using: RESULT: Template: 4R7U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2647 -192499 -72.72 -468.37 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain C : 0.85 3D Compatibility (PKB) : -72.72 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_4R7U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R7U-query.scw PDB file : Tito_Scwrl_4R7U.pdb: