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:B ((9-421)) ----VIGSTQPLQGEVTISGAKNAALPILFASILAEEPVEVANVPHLRDIDTTMELLERLGAKVERNGSV-HVDAGPINQYCAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGCAIGARPVDLHIHGLEQLGATITLEDGYVKAHV-DGRLQGAHIVMDKVSVGATITIMCAATLAEGTTVLDNAAREPEIVDTAMFLNKLGAKISGAGTDSITIEGVERLGGGKHAVVPDRIETGTFL-VAAAVSRGKIVCRNTHAHLLEAVLAKLEEAGAEIECGEDWISLDMTGRELKAVTVRTAPHPGFPTDMQAQFTLLNMMAKGGGVITETIFENRFMHVPELKRMGAK-AEIEGNTVICGDVDRLSGAQVMATDLRASASLVIAGCIAKGETIVDRIYHIDRGYERIEDKLSALGANIERFR-

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 B - contact count / total energy / energy per contact / energy per residue : 2643 -194472 -73.58 -474.32 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -73.58 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.511

(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: