Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEFSIDNNINDGAVIKVIGVGGGGGNAVNRMIEENVKGVEFITANTDVQALKNSKAETVIQLGPKYTRGLGAGSQPEVGQKAAEESEQSLREALDGADMIFITAGMGGGTGTGAAPIVAGIAKELGALTVGVVTRPFTFEGPKRGRFAAEGIARLKENVDTLLIISNNRLLEVVDKKTPMLEAFREADNVLRQGVQGISDLITAPGYVNLDFADVKTVMENQGTALMGIGVASGEDRVVEATKKAISSPLLETSIDGAEQVLLNITGGLDMTLFEAQDASDIVANAATGDVNIILGTSINEEMGDEIRVTVIATGIDESKKERKSSRPARQAQMQSPAQKTVLDMDQAKPTSSEEENSFGDWDIRREQNVRPRVDDSNFDNIEKKEFDTFNREETKSHGDDELNTPPFFRRKK 4KWE Chain:C ((25-315)) -------------------------NAVNRMIEQGLKGVEFIAINTDAQALLMSDADVKLDVG----------ADPEVGRKAAEDAKDEIEELLRGADMVFVTAGEGGGTGTGGAPVVASIARKLGALTVGVVTRPFSFEGKRRSNQAENGIAALRESCDTLIVIPNDRLLQMGDAAVSLMDAFRSADEVLLNGVQGITDLITTPGLINVDFADVKGIMSGAGTALMGIGSARGEGRSLKAAEIAINSPLLEASMEGAQGVLMSIAGGSDLGLFEINEAASLVQDAAHPDANIIFGTVIDDSLGDEVRVTVIAAGF-------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KWE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1602 -181959 -113.58 -647.54 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain C : 0.83 3D Compatibility (PKB) : -113.58 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.651

(partial model without unconserved sides chains): PDB file : Tito_4KWE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KWE-query.scw PDB file : Tito_Scwrl_4KWE.pdb: