Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLLPIKKLLGSTAGFRLASTKSSGTERLERLVEEVNGIKSKLKVLEESKAANGLVDLYASRKMKRLDIKRILSIFNDRAYH--APIFCHKALPIILAHFITGLDKLPSGLNAMPSILAVRATLLRSFQKLINC--KIPATDDQVQHFRRVLEDIDEEHAERDLLQTMAFGILELKEYVSSHRRALVDLKKTSERWASIPMTEENVLTYAEIQDIQAPLDSVNRCMITYNFISRMFLNHDPDMTMGS----NPRRIGMVDLEMNLEHVVRNAVDEAKQICTDHYGDCPD---TEFEFTSDSKAFRFPYMSTTIRYIILELMKNAFRATVDSHMKRNDVGMVTCADMPPVRVLINLQEGTEHACICISDEGMGMTDEALAMAMAYSYTSVSKPALQLGDSGEGCASTAPSPLAGYGYGLPMSRVYAQSLGGDLFLQTMEGYGTRAYYYIKIADAQPLCDEETK 1Y8P Chain:A ((29-372)) --------------------------------------------------------IERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLRKELPVRLANTMREVNLLPDNLLNRPSVGLVQSWYMQSFLELLEYENKSPEDPQVLDNFLQVLIKVRNRH--NDVVPTMAQGVIEYKE-----------------KFGFDPFISTN---------IQYFLDRFYTNRISF----RMLINQHTLLFGGDTNPVHPKHIGSIDPTCNVADVVKDAYETAKMLCEQYYLVAPELEVEEFNAKAPDKPIQVVYVPSHLFHMLFELFKNSMRATVELYEDRKE-------GYPAVKTLVTL--GKEDLSIKISDLGGGVPLRKIDRLFNYMYSTAPR------------------PLAGFGYGLPISRLYARYFQGDLKLYSMEGVGTDAVIYLK-------------

General information: TITO was launched using: RESULT: Template: 1Y8P.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 : 1358 -27907 -20.55 -86.13 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -20.55 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.570

(partial model without unconserved sides chains): PDB file : Tito_1Y8P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Y8P-query.scw PDB file : Tito_Scwrl_1Y8P.pdb: