Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQQSNMQNKFLIDAEIGDDDVTLPNLPAIDVPIVESPVKQEVKAEEVVEAAPSTEPEQPKSGFFGRMKEGLSKTRRNFTDGMVNILIGGKEIDDELLEEVEGQLLVADIG---VDATK-TIITNLTERTARGDLIYSHSLYKALQEELVALL--APRVKPLH-IDPNKSPYVILMVGVNGVGKTTTIGKLAKRLQGEGKKVMLAAGDTFRAAATEQLQIWGERNDIAVVAQGHGADSASVIFDASESARAKGIDVLIADTAGRLHNKSNLMEELKKVKRVMQKIDATAPHEIMLVVDAGTGQNAINQVQEFDQAVGLTGITITKLDGTAKGGVLFNIASRTHVPIRFIGVGEKIDDLRPFSAKSFVAALFETEK 3DMD Chain:C ((40-324)) --------------------------------------------------------------------------------DRILTVEIKEKDVD-KALDELEIDLLEADVALEVVDALREKIKQKLVGKKVRIGTDKGKIIEEAVKEAVSEILETSRRIDLIEEIRKAEKPYVIMFVGFNGSGKTTTIAKLANWLKNHGFSVVIAASDTFRAGAIEQLEEHAKRIGVKVIKHSYGADPAAVAYDAIQHAKARGIDVVLIDTAGRSETNRNLMDEMKKIARV------TKPNLVIFVGDALAGNAIVEQARQFNEAVKIDGIILTKLDADARGGAALSISYVIDAPILFVGVGQGYDDLRPFEKEWFLERIFG---

General information: TITO was launched using: RESULT: Template: 3DMD.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 : 1368 31817 23.26 114.45 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : 23.26 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_3DMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DMD-query.scw PDB file : Tito_Scwrl_3DMD.pdb: