Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLLPIKKLLGSTAGFRLASTKSSGTERLERLVEEVNGIKSKLKVLEESKAANGLVDLYASRKMKRLDIKRILSIFNDRAYHAPIFCHKALPIILAHFITGLDKLPSGLNAMPSILAVRATLLRSFQKLINC--KIPATDDQVQHFRRVLEDIDEEHAERDLLQTMAFGILELKEYVSSHRRALVDLKKTSERWASIPMTEENVLTYAEIQDIQAPLDSVNRCMITYNFISRMFLNHDPDMTMGS--NPRRIGMVDLEMNLEHVVRNAVDEAKQICTDHYGDCPDTEFE---FTSDSKAFRFPYMSTTIRYIILELMKNAFRATVDSHMKRNDVGMVTCADMPPVRVLINLQEGTEHACICISDEGMGMTDEALAMAMAYSYTSVSKPALQLGDSGEGCASTAPSPLAGYGYGLPMSRVYAQSLGGDLFLQTMEGYGTRAYYYIKIADAQPLCDEETK 4MP2 Chain:A ((45-354)) --------------------------------------------------------------------------------------FLRQELPVRLANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLDKDPEDHRTLSQFTDALVTIRNRH--NDVVPTMAQGVLEYKD-----------------TYGDDPVSNQN---------IQYFLDRFYLSRISI----RMLINQHTLIFD--PAHPKHIGSIDPNCNVSEVVKDAYDMAKLLCDKYYMASPDLEIQEINAANSKQPIHMVYVPSHLYHMLFELFKNAMRATVESHE--------SSLILPPIKVMVAL--GEEDLSIKMSDRGGGVPLRKIERLFSYMYS---------------------------GYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYLK-------------

General information: TITO was launched using: RESULT: Template: 4MP2.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 : 1160 -31901 -27.50 -113.12 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -27.50 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_4MP2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MP2-query.scw PDB file : Tito_Scwrl_4MP2.pdb: