Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKETQNAREKIKQLLHILIPIFITQAGLSLITFLDTVMSGKVSPADLAGVAIGSSLWTPVYTGL----AGILMAVTPIVAQLLGAEKKQKIPFTVLQAVYVAALLSIAVLVIGYAAVDLILGRLNLDIHVHQIAKHFLGFLSLGIFPLFVYTVLRSFIDSLGKTRVTMMITLSSLPINFVLNYVFIFGKFGMPALGGVGAGLASALTYWCICI-ISFFIIHKNAPFSEYGIFLTMYKFSWKACKNLLKIGLP-------IGFAVFFETSIFAAVTLLMSHFHTVTIASHQAAMNFAS-----LLYMLP-LSVSMALTIVVGFEAGAARFKDARSYSLIGIMMAIGFSLFTAACILLFREQIAGMYTSDP-------DVLRLTQHFLIYALFFQLSDAVAAPIQGALRGYKDVNYTLAAAFVSYWVIGLPVG--YMVGTFTSLGAFGYWIGLIAG-LAAGAVGLFF---RLAKLQKRYSQKQHI 3W4T Chain:A ((18-453)) -----------KAIVRLSIAMMIGMSVQTLYNLADGIWVSGLGPESLAAVG----LFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLFRSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIY----TLGFGVVGAAYATLLSMVVTSLFIAYWLFVKRDTYVD--ITLRDFSPSREILKDILRVGLPSSLSQLSMSIAMFFLNSV------------AITAGGENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFTY--VIKGDLISALRTLPVFLVLTPFGMMTSAM---FQGIGEGEKSLILTIFRTLV------MQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIVGFLWGRMRISALKK--------

General information: TITO was launched using: RESULT: Template: 3W4T.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 : 1938 -258924 -133.60 -647.31 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -133.60 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.300

(partial model without unconserved sides chains): PDB file : Tito_3W4T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W4T-query.scw PDB file : Tito_Scwrl_3W4T.pdb: