Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELEPLLDSLAVLAG---QEREVTLLPGGLTNANYRVTTAT----RDVVVRVASASSGLLSIDRDQEVHNSRAAAKAGVAPEVVEHRPGLLVVQFVPDALTYGDSDLA--ANLAGVADVVRRLHEGPAFA----G----RFDMFDIQREYLAIMHTHRF---R-MPRGYLALAPAAERMEAA----------------LRVHPEPRVPCHNDLLAANFLQDAQRLWIVDYEYSGMNEASFELGNIVQEAHLT------------------PEHLAELVTAYVGHEDP-----------VRTARAALWGIASAWAWTLWGTIQAGASDLDFDFWEWAMDKMDRAAQAFAEPGFDELLDTVGSPR 3MES Chain:B ((62-408)) ---------IPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV--F-YDSKVELDVFRYLSNINIAPNIIADFPEGRIEEFIDG-EPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA-----SVEFDFTEYANTRFTHYLQKKKE--------------

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 B - contact count / total energy / energy per contact / energy per residue : 974 -22198 -22.79 -83.76 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -22.79 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.327

(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: