Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLDIHLNFIKRLSSMNKEIFKIINPSTLYDPTPNAYSHVAVVSNFNNIIHIAGQGGEDQ-QGQLSSHFSEQVLQTFENINYALVAANAELTDIAVLRILVVDHSVEKHEILI-KIMKDLWKNHPFPACTLIPVPRLALEHMLIEVEATAYT 3LME Chain:A ((3-127)) --------------------LKIIAPT---DKTITPSGTWSIGARAGDFVFIGGMHGTDRVTGKMVDGDEARIRRMFDNMLAAAEAAGATKADAVRLTVFVTD--VAKYRPVVNKVQKDIWGDGPYPPRTVLQVPALD-QGDIAEIDGTFY-

General information: TITO was launched using: RESULT: Template: 3LME.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 : 574 -16987 -29.59 -138.10 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -29.59 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.306

(partial model without unconserved sides chains): PDB file : Tito_3LME.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LME-query.scw PDB file : Tito_Scwrl_3LME.pdb: