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 3VVN Chain:A ((18-453)) -----------KAIVRLSIPMMIGMSVQTLYNLADGIWVSGLGPESLAAVG----LFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLFRSMGA--EAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIY----TLGFGVVGAAYATLLSMVVTSLFIAYWLFVKRDTYVD--ITLRDFSPSREILKDILRVGLPSSLSQLSMSIAMFFLNSV------------AITAGGENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFT---AQVIKGDLISALRTLPVFLVLTPFGMMTSAM---FQGIGEGEKSLILTIFRTLV------MQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIVGFLWGRMRISALKK--------

General information: TITO was launched using: RESULT: Template: 3VVN.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 : 1937 -282313 -145.75 -711.12 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -145.75 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.310

(partial model without unconserved sides chains): PDB file : Tito_3VVN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VVN-query.scw PDB file : Tito_Scwrl_3VVN.pdb: