Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVY-VPEFVRELKNSLQDQTLEEKLNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEKEEVK-----AARLMERILYLAAPIRLDGENRRHP 3ECC Chain:A ((29-167)) ------------------------------------------------------------------------------------------------------------------------------------------------------FVHNFNPE-EGKGLTFVGSPGVGKTHLAVATLKAIYEKKGIRGYFFDTKDLIFRLKHLMDEGKDTKFLKTVLNSPVLVLDDLGSERLSDWQR-ELISYIITYRYNNLKSTIITTNYSL----------QR---SSVRISADLASRLGENVV----------------

General information: TITO was launched using: RESULT: Template: 3ECC.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 : 487 -24237 -49.77 -186.43 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -49.77 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.482

(partial model without unconserved sides chains): PDB file : Tito_3ECC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ECC-query.scw PDB file : Tito_Scwrl_3ECC.pdb: