Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIISIILVVLVAFLAGMEGILDEFQFHQPLVACTLIGLVTGNLEAGIVLGGTLQMIALGWANIGAAVAPDAALASVASAIILVLGGQGVKGVPSAIAIAVPLAVAGLFLTMIVRTIAVPIVHLMDAAAEEGNIRKVEMWHIIAVCLQGVRIAVPAAALLFIPAQTVQSFLESMPAWLTDGMAIGGGMVVAVGYALVINMMATKEVWPFFVIGFVVAAISQLTLIALGALGVALALIYLNLSKMGGSSNNGGGSNSGDPLGDILNDY 4KSD Chain:A ((704-739)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------WPYFVVGIFCAIIN-------GGLQPAFSVIF---SKVVGVFTNGG---------------

General information: TITO was launched using: RESULT: Template: 4KSD.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 : 12 -1962 -163.46 -54.49 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.43 3D Compatibility (PKB) : -163.46 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.43 QMean score : 0.071

(partial model without unconserved sides chains): PDB file : Tito_4KSD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KSD-query.scw PDB file : Tito_Scwrl_4KSD.pdb: