Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MALVRPFPIVQVVGFQNSGKTTFIERILEKASEQGVHLGCLKHHGHGGEPQTLTEGKDTDRYKAAGADVTAVEGAGVLQLTARRNWDLARLIELYQFLETDCLLIEGFKKAPYPK---------VVILSEKED-------LEALQAVNIIAII---YRKKEHMTEHQGLPVFHADDPVAVDFVLSQLKGESA------------ 2WSM Chain:A ((11-213)) LAENKRLAEKNREALRESGTVAVNIMGAIGSGKTLLIERTIERIGNE-VKIGAMLG--------DVVSKADYERVRRFGIKAEAISTGKECHLDAHMIYH-----RLKKFSDCDLLLIENVGNLICPVDFDLGENYRVVMVSVTEGDDVVEKHPEIFRVADLIVINKVALAEAVGADVEKMKADAKLINPRAKIIEMDLKTGKGFEEWIDFLRGILN

General information: TITO was launched using: RESULT: Template: 2WSM.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 : 734 -94166 -128.29 -592.24 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -128.29 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.323

(partial model without unconserved sides chains): PDB file : Tito_2WSM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WSM-query.scw PDB file : Tito_Scwrl_2WSM.pdb: