Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADCILKMADITKKFSGIRALDCVNLMIERGEIHALCGENGAGKSTLMNVLSGLYPYGSYDGEIFYDGKLCQFKD-LKDSEEKGIVIIHQELALSPYLSIKENIFLGNEQAERGVIDWELTE----KKTYELLNKVGLSIDPNLLVSQIGV----GQQQLVEIAKALSKSVRLLILDEPTAALNEEESANLLRLIRELKEQGVTSIIISHKLNEIVDIADRITILRDGQTIET-LENEMISEEHIIRGMVGRDLVDRYPERKPDIGEVYFKVEDWTVYHPLDHERIINDHINLHLKKGEIVGIAGLMGAGRTEFAMSLFGHSYGSKISGRILKEGAEISVKTVPSAIANGLAYVSEDRKSLGLNLLMDIRENVTLSSLDKISQKGVLDKEKEVTEAENFRKKMRIKTNSIHQIVSSLSGGNQQKVVLSKWLMTQPDILFLDEPTRGIDVGAKYEIYTIIEEMAANGKAVCLISSELPEILGMCDRIYTMNEGRITGEVSREDADQEVLMKLMTKEEVG 2HYD Chain:B ((357-566)) --------------------LKDINLSIEKGETVAFVGMSGGGKSTLINLIPRFYDVTS--GQILIDGH--NIKDFLTGSLRNQIGLVQQDNILFSD-TVKENILLGRPTAT----DEEVVEAAKMANAHDFIMNLPQGYDTE--VGERGVKLSGGQKQRLSIARIFLNNPPILILDEATSAL-DLESESIIQEALDVLSKDRTTLIVAHRLSTITH-ADKIVVIENGHIVETGTHRELIAKQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HYD.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 : 983 -14006 -14.25 -70.03 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -14.25 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_2HYD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HYD-query.scw PDB file : Tito_Scwrl_2HYD.pdb: