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 4MLB Chain:A ((25-460)) -----------KAIVRLSIPMMIGMSVQTLYNLADGIWVSGLGPESLAAVG----LFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLFRSMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIY----TLGFGVVGAAYATLLSMVVTSLFIAYWLFVKRDTYVD--ITLRDFSPSREILKDILRVGLPSSLSQLSMSIAMFFLNSV------------AITAGGENGVAVFTSAWRITMLGIVPILGMATATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFTYSESAQVIKGDLISALRTLPVFLVLTPFGMMTSAM---FQGIGEGEKSLILTIFRTLV------MQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIVGFLWGRMRISALKK--------

General information: TITO was launched using: RESULT: Template: 4MLB.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 : 1968 -283507 -144.06 -705.24 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -144.06 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.316

(partial model without unconserved sides chains): PDB file : Tito_4MLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MLB-query.scw PDB file : Tito_Scwrl_4MLB.pdb: