Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAHLFFTGACAAAAVLPTSDREEVSPVWSIYDDYCCSASQNAEVNDPQVEGGGVGNCGGTALPRLPLISGPVPSMTLKGAQLKKEAPIRRGAQGAVYSALDVATSAPAEDENAKGLFSQEACRGHDGEEQVADGGQRPARRGRRVAVKRIFIQASDFGARDISATVLREVTLHRFVSEKQAACLAAAGTSYSTASASDATARAEDDQGQALCNLIDDSARVIHLYRVVEAPHKEMCLVMELAATNLEQVVFPHGARGAQRGDGAGGYMRKPGVVSLFGSSASIGVGGGLGLSSASLSTAPDAATADAGPQASPPSPPPSRMPLVRYVMRRLLRLVCFLHETCRVVHRDLKLSNVLVSKDAG--LRLGDFGSARFIPPLRSATKTGCENSPSVLKPPAAPAGQREHLLCTPPSIRTTLHYRPPEALLGDQVCRTAADVWALGVIFAQLLLQKGLFRSESELDLLGGIQKLLGMPTYSAPPSWLGAPPV---PGPPRDRE-------SA-A--------HIPAPQASLPYKFHAGVVPADGLDLLSRMLHQQPECRITAREALQHPFLNLEGLSALATHDDDERGRVLWEERVATVLREQATGPIYGMGRGERRPMLISLADNEDEEDQEDDEDGAAPFCVDLGGCTSY 4AZF Chain:A ((96-413)) ------------------------------------------------------------------------------AYRYEVLKVIGKGSFGQVVKAYDHK-------------------------------------VHQHVALKMVRNEKR------FHRQAAEEIRILEHLRKQD----------------------------------KDNTMNVIHMLENFTFR-NHICMTFELLSMNLYELIKKNKF-------------------------------------------------------------QGFSLPLVRKFAHSILQCLDALHK-NRIIHCDLKPENILLKQQGRSGIKVIDFGSSCYEHQR-----------------------------V--YTYIQSRFYRAPEVILGA-RYGMPIDMWSLGCILAELLTGYPLLPGEDEGDQLACMIELLGMPSQKLLDASKRAKNFVSSKGYPRYCTVTTLSDVVLNGGRSRRGKLRGPPESREWGNAL-KGCDDPLFLDFLKQCLEWDPAVRMTPGQALRHPWLR--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AZF.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 : 1412 -126678 -89.71 -429.42 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -89.71 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_4AZF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AZF-query.scw PDB file : Tito_Scwrl_4AZF.pdb: