Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKRTWRNSFVTNLNTPFMIGNIEIPNRTVLAPMAGVTNSAFRTIAKELGAGL-VVMEMVSDKGIQYNNEKTLHMLHIDEGENPVSIQLFGSDEDSLARAAEFIQENTKTDIVDINMGCPVNKIVKNEAGAMWLKDPDKIYSIINKVQSVLDIPLTVKMRTGWADPSLAVENALAAEA---AGVSALAMHGRTREQMYTGHADLET-------LYKVAQALTKIPFIANGDIRTVQEAKQRIEEVGADAVMIGRAAMGNPYLFNQINHYFETGEILPDLTFEDKMKIAYEHLKRLINLKGENVAVREFRGLAPHYLRGTSGAAKLRGAISQASTLAEIEALLQLEKA 3B0V Chain:C ((22-261)) -----------------------MLDPRLSVAPMVDRTDRHFRFLVRQVSLGVRLYTEMTVDQAVLRGNRERL--LAFRPEEHPIALQLAGSDPKSLAEAAR-IGEAFGYDEINLNLGCPSEKAQEGGYGACLLLDLARVREILKAMGEAVRVPVTVKMRLGLEGKETYRGLAQSVEAMAEAGVKVFVVHARSALLALSTKANREIPPLRHDWVHRLKGDFPQLTFVTNGGIRSLEEALFHLKRV--DGVMLGRAVYEDPFVLEEADR-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3B0V.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1273 -7463 -5.86 -32.59 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain C : 0.69 3D Compatibility (PKB) : -5.86 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_3B0V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B0V-query.scw PDB file : Tito_Scwrl_3B0V.pdb: