Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAHLFFTGACAAAAVLPTSDREEVSPVWSIYDDYCCSASQNAEVNDPQVEGGGVGNCGGTALPRLPLISGPVPSMTLKGAQLKKEAPIRRGAQGAVYSALDVATSAPAEDENAKGLFSQEACRGHDGEEQVADGGQRPARRGRRVAVKRIFIQASDFGARDISATVLREVTLHRFVSEKQAACLAAAGTSYSTASASDATARAEDDQGQALCNLIDDSARVIHLYRVVEAPHKEMCLVMELAATNLEQVVFPHGARGAQRGDGAGGYMRKPGVVSLFGSSASIGVGGGLGLSSASLSTAPDAATADAGPQASPPSPPPSRMPLVRYVMRRLLRLVCFLHETCRVVHRDLKLSNVLVSKDAG--LRLGDFGSARFIPPLRSATKTGCENSPSVLKPPAAPAGQREHLLCTPPSIRTTLHYRPPEALLGDQVCRTAADVWALGVIFAQLLLQKGLFRSESELDLLGGIQKLLGMPTYSAPPSWLGAPPV---PGPPRDRE---------S--A-----A--HIPAPQASLPYKFHAGVVPADGLDLLSRMLHQQPECRITAREALQHPFLNLEGLSALATHDDDERGRVLWEERVATVLREQATGPIYGMGRGERRPMLISLADNEDEEDQEDDEDGAAPFCVDLGGCTSY 5LXC Chain:A ((74-392)) -----------------------------------------------------------------------------VAYRYEVLKVIGKGSFGQVVKAYDHK-------------------------------------VHQHVALKMVRNEKR------FHRQAAEEIRILEHLRKQD----------------------------------KDNTMNVIHMLENFTFR-NHICMTFELLSMNLYELIKKNKF-------------------------------------------------------------QGFSLPLVRKFAHSILQCLDALHK-NRIIHCDLKPENILLKQQGRSGIKVIDFGSSCYEHQR-----------------------------V--YTYIQSRFYRAPEVILGA-RYGMPIDMWSLGCILAELLTGYPLLPGEDEGDQLACMIELLGMPSQKLLDASKRAKNFVSSKGYPRYCTVTTLSDGSVVLNGGRSRRGKLRGPPESREWGNAL-KGCDDPLFLDFLKQCLEWDPAVRMTPGQALRHPWLR--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5LXC.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 : 1384 -115793 -83.67 -391.19 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -83.67 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_5LXC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LXC-query.scw PDB file : Tito_Scwrl_5LXC.pdb: