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 3VVS Chain:A ((18-453)) -----------KAIVRLSIPMMIGMSVQTLYNLADGIWVSGLGPESLAAVG----LFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLFRSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIY----TLGFGVVGAAYATLLSMVVTSLFIAYWLFVKRDTYVD--ITLRDFSPSREILKDILRVGLPSSLSQLSMSIAMFFLNSV------------AITAGGENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFT---IKGDLISALRTLPVFLVLTPFGMMTSAM---FQGIGEGEKSLILTIFRTLV------MQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIVGFLWGRMRISALKK--------

General information: TITO was launched using: RESULT: Template: 3VVS.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 : 1923 -269822 -140.31 -676.24 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -140.31 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_3VVS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VVS-query.scw PDB file : Tito_Scwrl_3VVS.pdb: