Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGENMFKKEKVTEYIWTILIPTIITFIISWVGSYYNGTSTVSIGQPTKVSGQYITPINISPYHDIKELRITFPQKLDVKQISSNEPINVKSDKNNIGVESNSTFEIAKIVENNSVQLLITTQKKLNDKEIRIDKNGNNISVNYESQIVNPAKKQLINLIITSSIYFIMLNILALIMNKRWDKYYAKMKNEIKEFEDNAKDLDKKSKKKSEELSELRKTLNQAFEETDRIKYHEKKKQILLLAKLNDYKKELTFWRNTIRKVLYELPDGDKKADKLIGTVTSSLKTYGTVEKNEHDYESLKVAAALLNDSDKRS 3W6U Chain:A ((163-224)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FHRLLPIFKAMGRDIVYMGPVGYGQAMKLVNQVVVALNTVAMV-------EGLKLAKALGLDMDK--

General information: TITO was launched using: RESULT: Template: 3W6U.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 : 43 -4860 -113.02 -83.79 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -113.02 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_3W6U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W6U-query.scw PDB file : Tito_Scwrl_3W6U.pdb: