Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVPKTMLLSTAAGLLLSLTATSVSAHYVNEEHHFKVTAHTETDPVASGDDAADDPAIWVHEKHPEKSKLITTNKKSGLVVYDLDGKQLHSYEFGKLNNVDLRYDFPLNGEKIDIAAASNRSEGKNTIEVYAIDGDKGKLKSITDPNHPISTNISEVYGFSLYHSQKTGAFYALVTGKQGEFEQYEIVDGGKGYVTGKKVREFKLN------SQTEGLVADDEYGNLYIAEED-EAIWKFNAEPGGGSKGQVVDRATG-D-------HLTADIEGLTIYYAPNGKGYLMASSQGNNSYAMYERQGKNRYVANFEITDGEKIDGTSDTDGIDVLGFGLGPKYPYGIFVAQDGENIDNGQAVNQNFKIVSWEQIAQHLGEMPDLHKQVNPRKLKDRSDG 2IWA Chain:A ((118-237)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------ILYGSDGTSILYEIDPHTF-------KLIKKHNVKYNGHRVIRLNELEYI--NGEVWANIWQTDCIARISAKDGTLL--GWILLPNLRKKLIDEGFRDIDVLNGIAWD--QE-NKRIFVTGKLWPKLFEIKLHL--------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2IWA.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 : 407 5714 14.04 54.42 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 14.04 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_2IWA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IWA-query.scw PDB file : Tito_Scwrl_2IWA.pdb: