Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELFKYMEKYDYEQLVFCQDEQSGLKAIIAIHDTTLGPALGGTRMWTYENEEAAIEDALRLARGMTYKNAAAGLNLGGGKTVIIGDPRKD---KNEEMFRAFGRYIQGLNG--RYITAEDVGTTVEDMDIIHDETD---------YVTGISPAFGSSGNPSPVTAYGVYRGMKAAAKAAFGTDSLEGKTIAVQGVGNVAYNLCRHLHEEGAN-LIVTDINKQSVQR-------A---VEDFG-------ARAVDPDDIYSQDCDIYAPCALGATINDDTIKQLKAKVIAGAANNQLKETRHGDQIHEMGIVYAPDYVINAGGVINVADELY-G-----YNAERALKKVE-GIYGNIERVLEISQRDGIPAYLAADRLAEERIERMRRSRSQFLQNGHSVLSRR 3AOG Chain:A ((78-439)) -----------------------YFEGYRVHHNTARGPAKGGVRYHPEVTLS----EVMALAGWMTIKNAAVGLPYGGGKGGIRVDPRKLSPGELERLTRRYTSEIGILLGPDRDIPAPDVNTGEREMAWMMDTYSMNVGRTVPGVVTGKPIALGGSLGRRDATGRGVFITAAAAAEKI-G-LQVEGARVAIQGFGNVGNAAARAFHDHGARVVAVQDHTGTVYNEAGIDPYDLLRHVQEFGGVRGYPKAEPLPAADFWGLPVEFLVPAALEKQITEQNAWRIRARIVAEGANGPT-TPAADDILLEKGVLVVPDVIANAGGVTVSYFEWVQDFNSYFWTEEEINARLERVLRNAFEAVWQVAQEKKIPLRTAAYVVAATRVLEARALRGLY-----------

General information: TITO was launched using: RESULT: Template: 3AOG.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 : 1865 42365 22.72 131.16 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 22.72 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_3AOG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AOG-query.scw PDB file : Tito_Scwrl_3AOG.pdb: