Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------MRQGFIKAFANLVGWIFALIMGAKYAVLLAPSMSGLSQDPVVQKIAAFAFIALLIIVLTWIVT--AFLNGLLKSLKLGPLNRLAGGAFGSLKGLLVVLITMQGVGPWVESSPHWKQSKFIQFLLPYAPLATELSKDAASEAFHQITSGGGVTRTSPKPMDESEETELRPDHSTKDPFY--------------------------------------------------------------------------------------------- 2IQH Chain:A ((21-489)) NATEIRASVGKMIDGIGRFYIQMCTELKLSDYEGRLIQNSLTIERMVLSAFDTGGPIYRRVDGKWRRELILYDKEEIRRIWRQANNGDDATAGLTHMMIWHSNLNDATYQRTRALVRTGMDPRMCSLMQGSTLPRRSGAAGAAVKGVGTMVMELIRMIKRGINRRTRIAYERMCNILKGKFQTAAQRTMVDQVRE--SRNPGNAEFEDLIFLARSALILRGSVAHKSCLPACVYGSAVASGYDFEREGY-SLVGIDPFRLLQ---NSQVYSLIRPNENPAHKSQLVWMACHSAAFEDLRVSSFIRGTKVVPRGKLSTRGVQIASNENMETMESSTLELRSRYWAIRTRSGGNTSSGQISIQPTFSVQRNLPFDRPTIMAASDMRTEIIRLMESARPEDVSFQGRGVFELSDEKATSPIVPSFDMSNEGSYFF

General information: TITO was launched using: RESULT: Template: 2IQH.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 : 583 -22057 -37.83 -129.74 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -37.83 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.213

(partial model without unconserved sides chains): PDB file : Tito_2IQH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IQH-query.scw PDB file : Tito_Scwrl_2IQH.pdb: