Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEK-EYSSMIVYVPEFVRELKNSLQDQTLEEKLNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEK-EEVKAARLMERILYLAAPIRLDGENRRHP 3EC2 Chain:A ((3-178)) ----------------------------------------------------------------------------------------------------------------------------RYWNANLDTYHPKNVSQNRALLTIRVFVHNFN-PEEGKGLTFVGSPGVGKTHLAVATLKAIYEKKGIRGYFFDTKDLIFRLKHLMDEGKDTKFLKTVLNSPVLVLDDLGSERLSDWQRE-LISYIITYRYNNLKSTIITTNYSLQR---SSVRI--SADLASRLGENVVSKIYEMNELLV---------

General information: TITO was launched using: RESULT: Template: 3EC2.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 : 733 -35263 -48.11 -206.21 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -48.11 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_3EC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EC2-query.scw PDB file : Tito_Scwrl_3EC2.pdb: