Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKKKVNLGVRDVPTPFSWVSFSLQHLFAMFGSTILVPKLVGMSPAVALVTSGIGTLAYLLITKGQIPAYLGSSFAFISP---IILVKAT---GGPGAAMVGAFLAGLVYGLIALLIRQLGTGWLMKILPPVVVGPVIIVIGLGLASTAVNMAMYADPNASE-----LVYSLKHFSVAGVTLAITIICAIFLRG-----FLSLI----PVLIGIIGGYLFALTQGIVNFQPVL-------DAKWFAVPEFIIPFKDYSP-SVTLGIAAAMVPVAFVTMSEHIGHQMVLSKVVGQDFIKKPGLHRSIMGDSVATILASLIGGPPTTTYGENIGVLAIT----RV-----FSVFVIGGAAVIALCFGFIGKISALISSVPSAVMGGVSFLLFGIIASSGLRMLIDNKIDYENNRNLIITSVILVIGVGGAFIQVSQGGFQVSGMALAAIVGVILNLILPQAKEEQADTSEQHHI 4YZF Chain:A ((436-802)) -------------------------------------------GVSELLISTAVQGILFAL-LGAQPLLVVGFSGPLLVFEEAFFSFCETNGLEYIVGRVWIGFWLILLVVLVVA----FEGSFLVRFISRYTQEIFSFLISLIFIYETFSKLIKIFQDHPLQKTYLPNTALLSLVLMAGTFFFAMMLRKFKNSSYFPGKLRRVIGDFGVPISILIMVLVDFFIQDTYTQKLSVPDGFKV----V-IHPLGLRS--EFPIWMMFASALPALLVFILIFLESQITTLIVSKPERK-MVKGSGFHLDLLLVVGMGGVAALFGMPWLSATTVRSVTHANALTVM--IQEVKEQRISGLLVAVLVGLSIL---MEPILSRIPLAVLFGIFLY-------MGVTSLSG---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YZF.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 : 1320 -194298 -147.20 -652.01 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -147.20 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.163

(partial model without unconserved sides chains): PDB file : Tito_4YZF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YZF-query.scw PDB file : Tito_Scwrl_4YZF.pdb: