Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQYDVIVIGGGPSGLMAAIAAGEQGAGVLLIDKGNKLGRKLAISGGGRCNVTNRLPVEEIIKHIPGNGRFLYSAFSEFNNEDIIKFFENLGIQLKEEDHGRMFPVTDKAQSVVDALLNRLKQLRVTIRTNEKIKSVLYEDGQAAGI-VTNNGEMIHSQAVIIAVGGKSVPHTGSTGDGYEWAEAAGHTITELFPTEVPVTSGEPFIKQKTLQGL-SLRDVAVSVLNKKGKPIITHKMDMLFTHFGLSGPAILRCSQFVVKELKKQPQVPIRIDLYPDINEETLFQKMYKELKEAPKKTIKNVLKPWMQERYLLFLLEKNGISPNVSFSELPKDPFRQFVRDCKQFTVLANGTLSLDKAFVTGGGVSVKEIDPKKMASKKMEGLYFCGEILDIHGYTGGYNITSALVTGRLAGLNAGQYARS 3V76 Chain:A ((46-414)) ---------------------AGKRGRRVLVIDHARAPGEKIRISGGGRCNFTNIHASPR--NFLSGNPHFCKSALARYRPQDFVALVERHGIGWHEKTLGQLF-CDHSAKDIIRMLMAEMKEAGVQLRLETSIGEV---ERTASGFRVTTSAGTVDAASLVVASGGKSIPKMGATGLAYRIAEQFGLPVVETRPALVPLT-----LDQAQLAKLGALAGVAADAEARFGKAAF--REAVLITHRGLSGPAILQISSY----WREGEEIVLR--LMPDIDIASILKGMR---RANGRQAVQTALADILPRRLAQFFADEAKLTGR-MLADLSDKTIDALASSIQVWAVKPAGSEGYRTAEVTLGGVDTRALDSRTMQAKEVPGLYFVGECVDVTGWLGGYNFQWAWASGFVAG---------

General information: TITO was launched using: RESULT: Template: 3V76.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 : 1952 -33334 -17.08 -90.83 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -17.08 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_3V76.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3V76-query.scw PDB file : Tito_Scwrl_3V76.pdb: