Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRQTELKNWLQTVYPERDFDLSFAAADADFRRYFRAAFSDGGSVVCMDAPPDKMSVAPYLKVQKLFDMVNVPQVLHADTDLGFVVLNDLGNTTFLTAMLQEQGEAAHKALLLEAIGELVG--LQKASREGVLPEYDRETMLREIN----------LFPEWFV---AKELGRELTFKQRQLWQQ-----TADTLLPPLLAQPKVYVHRDFIVRNLMLTRGRPGVLDFQDALYGPISYDLVSLLRDAFIEWEEEFVLDLVIRYWEKARAAGLPVPAEFDEFYRRFEWMGVQRHLKVAGIFARLYYRDGKDKYRPEIPRFLNYLRRVSRRYAELAPLYALLVELVGDEELETGFTF 2PUI Chain:A ((99-272)) -----------------------------------------------------------------------VPRVFYSDTEMAVTVMEDLSHLKIARKGLIEGENYPH---LSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDITERLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAAKLKKSFLTSAETLIHGDLHTGSIFASEHETKVIDPEFAFYGPIGFDVGQFIANLFL----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PUI.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 : 412 -27755 -67.37 -180.22 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -67.37 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.172

(partial model without unconserved sides chains): PDB file : Tito_2PUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2pui-query.scw PDB file : Tito_Scwrl_2PUI.pdb: