Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKETQNAREKIKQLLHILIPIFITQAGLSLITFLDTVMSGKVSPADLAGVAIGSSLWTPVYTGLAGILMAVTPIVAQLLGAEKKQKIPFTVLQAVYVAALLSIAVLVIGYAAVD-LILGRLNLDIHVHQIAKHFLGFLSLGIFPLFVYTVLRSFIDSLGKTRVTMMITLSSLPINFVLNYVFIFGKFGMPALGGVGAGLASALTYWCICIISFFIIH-KNAPFSEYGIFLTMYKFSWKACKNLLKIGLPIGFAVFFETSIFAAVTLLMSH-FHTVTIASHQAAMNFASLLYMLPLSVSMALTIVVGFEAGAARFKDARSYSLIGIMMAIGFSLFTAACILLFREQIAGMYTSDPDVL---RLTQHFLIYALFFQLSDAVAAPIQGALRGYKDVNYTLAAAFVSYWVIGLPVGYMVGTFTSLGAFGYWIGLIAGLAAGAVGLFFRLAKLQKRYSQKQHI 3W4T Chain:A ((14-447)) -------GDPKKAIVRLSIAMMIGMSVQTLYNLADGIWVSGLGPESLAAVGLFFPVFMGIIALAAGLGVGTSSAIARRIGARDKEGADNVAVHSLILSLILGVTITITMLPAIDSLFR-SMGAKGEAVELAIEYARVLLAGAFIIVFNNVGNGILRGEGDANRAMLAMVLGSGLNIVLDPIFIYT----LGFGVVGAAYATLLSMVVTSLFIAYWLFVKRDTYVDITL--RDFSPSREILKDILRVGLPSSLSQLSMSIAMFFLNSVAITAGGENGVAVFTSAWRITMLGIVPILGMAAATTSVTGAAYGERNVEKLETAYLYAIKIAFMIELAVVAFIMLFAPQVAYLFTY-----VIKGDLISALRTLPVFLVLTPFGMMTSAMFQGIGEGEKSLILTIFRTLVMQVGFAYIFVHYTTLGLRGVWIGIVIGNMVAAIVGFLWGRMR----------

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 : 2186 -297281 -135.99 -702.79 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -135.99 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.359

(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: