Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKRTWRNSFVTNLNTPFMIGNIEIPNRTVLAPMAGVTNSAFRTIAKELGAGL-VVMEMVSDKGIQYNNEKTLHMLHIDEGENPVSIQLFGSDEDSLARAAEFIQENTKTDIVDINMGCPVNKIVKNEAGAMWLKDPDKIYSIINKVQSVLDIPLTVKMRTGWADPS---LAVENALAAEAAGVSALAMHGRTREQMYTG-------HADLETLYKVAQALTKIPFIANGDIRTVQEAKQRIEEVGADAVMIGRAAMGNPYLFNQINHYFETGEILPDLTFEDKMKIAYEHLKRLINLKGENVAVREFRGLAPHYLRGTSGAAKLRGAISQASTLAEIEALLQLEKA 3B0U Chain:Y ((2-313)) ------------------------LDPRLSVAPMVDRTDRHFRFLVRQVSLGVRLYTEMTVDQAVLRGNRER--LLAFRPEEHPIALQLAGSDPKSLAEAARIGEA-FGYDEINLNLGCPSEKAQEGGYGACLLLDLARVREILKAMGEAVRVPVTVKMRLGLEGKETYRGLAQSVEAMAEAGVKVFVVHARSALLALSTKANREIPPLRHDWVHRLKGDFPQLTFVTNGGIRSLEEALFHL-K-RVDGVMLGRAVYEDPFVLEEADRRVFGLP--RRPSRLEVARRMRAYLEEEVLK-G--TPPWAVLRHMLNLFRGRPKGRLWRRLLSEGRSLQALDRALRLME-

General information: TITO was launched using: RESULT: Template: 3B0U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain Y - contact count / total energy / energy per contact / energy per residue : 1623 -4582 -2.82 -15.22 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain Y : 0.72 3D Compatibility (PKB) : -2.82 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3B0U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B0U-query.scw PDB file : Tito_Scwrl_3B0U.pdb: