Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MATGKEKNAKNPMSLLIVL-MAGLFLAILNQTLLNVAMPHLMTEFGVSATTIQWLTTGYMLVNGVLIPLSAFLITRFGQRSLFLVAMFCFTLGTLVCGIAPNFSTMLIGRLIQAVGGGILQPLVMTTILLIFPPESRGKGMGIFGLAMMFAPAVGPTLSGWIIEHYTWRIMFYGLVPIGAIVIIVAFFIFKNMVEPQKIKLDTLGAILSIVGFASLLYGVSEAGSDGWTDPIVLSTVIIGAIAIVAFVVQQLRHDDPMLDFRVFKYDIFSLSSVINIIITVALYTGMFLLPIYLQNLVGFTALQSGLLLLPGAIVMLIMSPISGILFDKFGPRPLAIIGLLVTVVTTYQYTQLTIDTPYTHIMLIYSIRAFGMSLLMMPVMTAGMNQLPARLNSHGTAMS--NTLRQISGSIGTSLITTIYTNRTTFHYSQIADKTSTADPNFLHAFQNAVSNLMVNMNVSYDTAKTYVYSHIYKHASLDSNVMGINDAFMWATLFCVAGLILSIFLRDVRKDKLRKKKKEELSLLPAPKEAKES 3WDO Chain:A ((3-455)) DYKMTPGERRATWGLGTVFSLRMLGMFMVLPVLTTYGMALQ------GASEALIGIAIGIYGLTQAVFQIPFGLLSDRIGRKPLIVGGLAVFAAGSVIAALSDSIWGIILGRALQGSGA--IAAAVMALLSDLTREQNRTKAMAFIGVSFGITFAIAMVLGPIITHKLGLHALFWMIAILATTGIALTIWVVPN---SSTHVLN------------------RESGMVKGSFSKVLA-----------------------------EPRLLKLNFGIMCLHMLLMST-FVALPGQLAD-AGFPAAEHWKVYLA-TMLIAFGSVVPFIIYAEVKRKMKQVFVFCVGLIVVAEIVLWNAQTQ--FWQLVVGVQLFFVAFNLMEALLPSLISKESPAGYKGTAMGVYSTSQFLGVAIGGSLGGWIDGMFD-------GQGVFLAGAMLAAVWLAVASTMKEPPYVSSLRIE--IPADIAANEALKVRLLETEGVKEVLIAEEEHSAYVKIDSKVTNRFEVEQAIRQAL------------

General information: TITO was launched using: RESULT: Template: 3WDO.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 : 2257 -314699 -139.43 -702.45 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -139.43 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.213

(partial model without unconserved sides chains): PDB file : Tito_3WDO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WDO-query.scw PDB file : Tito_Scwrl_3WDO.pdb: