Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTETLTKELAVTKALE-LPFWKA----PSNAEILGGGITNFNVKITDEG----RTYVVRLGEDIVEHGVMRFNELSACRAAHAAGVAPAVRYFQKGALVQDYIPADPLVEEEIQQLKMLELIAALLGKVHRDATQLIRGPV---LAFWVFHILRDYTETLRLLD-------SDHI---SKLDDLMQKAQ---------KLEA--AVGNVHLVLCHNDLLPANILNENGRLWLVDWEYAGMNSPLFDLGGLATNAGL------------------SEGLQKLLLETYFDTPVSD----------ELWERYNAMKCASLLRESMWSMVSEQTSKIQFDYADYTRENLLRFERAFAELQLK 3MES Chain:A ((50-409)) -----DTEIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV-KFYDSKVELDVFRYLSNINIAPNIIADFPEGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA------VEFDFTEYANTRFTHYLQKKKEL---

General information: TITO was launched using: RESULT: Template: 3MES.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 : 1090 -6033 -5.53 -21.39 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -5.53 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_3MES.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3mes-query.scw PDB file : Tito_Scwrl_3MES.pdb: