Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEFFICNLVRVVQSPRFYMSLFLTLLCMSLGNFLAFNGIYKIEGLSIFFAASSIRGFSPISLVAALICTLPYSSQIIEDAESHFLTAQLCR-ISK-KRYLAIVGSTAI-ISSFLVFFLPYLLLLGINLLVTPYQEIYIGDYSGALKELFDSNQLLYSLVTTLWYGVWGAVFSIFGLASALLVKKKLGAIFIPVAYMMVGGILWAIL-----------GLSYLEPVTTLALGYQKDISLSLVSAHLAFILFVSCLVVYGTFFLHSEDYV 5NJG Chain:B ((388-587)) -WVSKRSFKNLLGNPQASIAQIIVTVVLGLVIGAIYFGLK--NDSTGIQNR-----AGVLFFLTTNQCFSSVSAVELFVVEKKLFIHEYISGYYRVSSYFLGKLLSDLLPMRMLPSIIFTCIVYFMLGL--KP-------------------KADAFFVMMFTLMMVAYSASSMALAIAAGQSVVSVATLLMTICFVFMMIFSGLLVNLTTIASWLSWLQYFSIPRYGF---------------------------------------

General information: TITO was launched using: RESULT: Template: 5NJG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 599 -106104 -177.14 -570.45 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -177.14 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.189

(partial model without unconserved sides chains): PDB file : Tito_5NJG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NJG-query.scw PDB file : Tito_Scwrl_5NJG.pdb: