Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVY-VPEFVRELKNSLQDQTLEEK-LNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEKEEVK-----AARLMERILYLAAPIRLDGENRRHP 3EC2 Chain:A ((29-167)) ------------------------------------------------------------------------------------------------------------------------------------------------------FVHNFNPE-EGKGLTFVGSPGVGKTHLAVATLKAIYEKKGIRGYFFDTKDLIFRLKH-LMDEGKDTKFLKTVLNSPVLVLDDLGSERLSDWQR-ELISYIITYRYNNLKSTIITTNYSL----------QR---SSVRISADLASRLGENVV----------------

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 : 467 -5628 -12.05 -43.62 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -12.05 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.474

(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: