Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQQSNMQNKFLIDAEIGDDDVTLPNLPAIDVPIVESPVKQEVKAEEVVEAAPSTEPEQPKSGFFGRMKEGLSKTRRNFTDGMVNILIGGKEIDDELLEEVEGQLLVADIGVDATKTIITNLTERTARGDLIYSHSLYKALQEELVALLAPRVKPLHIDPNKSPYVILMVGVNGVGKTTTIGKLAKRLQGEGKKVMLAAGDTFRAAATEQLQIWGERNDIAVVAQGHGADSASVIFDASESARAKGIDVLIADTAGRLHNKSNLMEELKKVKRVMQKIDATAPHEIMLVVDAGTGQNAINQVQEFDQAVGLTGITITKLDGTAKGGVLFNIASRTHVPIRFIGVGEKIDDLRPFSAKSFVAALFETEK 5L3R Chain:C ((33-300)) ---------------------------------------------------------------------------------------------IAEPMRDIRRALLEADVSLPVVRRFVQSVSDQAVGMG-KPDQQLVKIVHDELVKLMGGEVSELQFA-KSGPTVILLAGLQGVGKTTVCAKLACYLKKQGKSCMLIAGDVYRPAAIDQLVILGEQVGVPVYTAGTDVKPADIAKQGLKEAKKNNVDVVIMDTAGRLQIDKGMMDELKDVKKFL------NPTEVLLVVDAMTGQEAAALVTTFNVEIGITGAILTKLDGDSRGGAALSVKEVSGKPIKLVGRGERMEDLEPFYPDRMAGRIL----

General information: TITO was launched using: RESULT: Template: 5L3R.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1431 -170332 -119.03 -647.65 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.75 3D Compatibility (PKB) : -119.03 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.661

(partial model without unconserved sides chains): PDB file : Tito_5L3R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5L3R-query.scw PDB file : Tito_Scwrl_5L3R.pdb: