Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQHLSLPKDKIRFLLLEGVHQNAVDTLNAAGYTNIDYRK-TALEGEALKEAIKDAHFIGIRSRTQLTEEVFEAANKLIAVGCFCIGTNQVDLKAAMARGIPVFNAPYSNTRSVAELVLAETILLLRRVPEKSAACHRGGWDKSAVGSFETRGKTLGIVGYGSIGSQLSVLAESMGMNVIYYDAVTKLPMGNARQVGSLDELLATADVVTLHIPDVPSTRNFFTKEQFAKMKEGAIFLNAARGTCVVIEDLADAIKSGHLAGAAVDVFPKEPKANGEEFQSPLRGLDNVILTPHVGGSTMEAQANIGLEVAEKFVAYSDKGMTLSAVNFPEIALPLTAGQHRLLHIHKNVPGVLSKINNLFAEQGINISGQSLMTKGDIGYLVMDVDAS--ASQEALDMLHEVEGTIRVRVLF 1SC6 Chain:D ((2-404)) --------KDKIKFLLVEGVHQKALESLRAAGYT-NIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGAFAIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVG------SFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALADALASKHLAGAAIDV----------PFTSPLAEFDNVLLTP----STQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPL-HGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY

General information: TITO was launched using: RESULT: Template: 1SC6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2044 -91634 -44.83 -241.14 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain D : 0.88 3D Compatibility (PKB) : -44.83 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.648

(partial model without unconserved sides chains): PDB file : Tito_1SC6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SC6-query.scw PDB file : Tito_Scwrl_1SC6.pdb: