Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIDQQLAEKWIKPGSSVLDLGCGDGELLAHMSQKHQIRAYGLEIDQEKIAIAVSRGLNIIQQDLNLGLSRFADQSFDYVVMAQALQAVDAPDVLLRDM---VRVGKQAIITFPNFAHWKTRSFLALKGMMPVSDALPYMWYNTPNIHLCTFKDFEALCAENQIQIINRLAVNGNQQGSLLSKHVPNLFGEVAIYRVSAL 3CC8 Chain:A ((32-185)) -------------EWKEVLDIGCSSGALGAAIKE-NGTRVSGIEAFPEAAEQAKEKLDHVVLGDIETMDMPYEEEQFDCVIFGDVLEHLFDPWAVIEKVKPYIKQNGVILASIPNVSHISVLAPLL-AGNWTY---TEYGLLDKTHIRFFTFNEMLRMFLKAGYSISKVDRV----------------------------

General information: TITO was launched using: RESULT: Template: 3CC8.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 : 692 -50420 -72.86 -333.91 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -72.86 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.313

(partial model without unconserved sides chains): PDB file : Tito_3CC8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CC8-query.scw PDB file : Tito_Scwrl_3CC8.pdb: