Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------MLNLKSSHSTAF-----------TPSSPAERYAEALASG-----------------QFMADEAQAQAVQELDRVWKELLNRYKASKKAFRRFRRQTSPKGVYMWGSVGRGKTW-----LMDQFYESVPFRR--KTRMHFHHFMQHVHKELNKLSGQ--RNPLDIVADQIYKDAVVICFDEFFVSNVTDAMILSDLFQK--LFVRGVTLIATSNIAPDGLYKNGIHRDRFIPTIEMVKKNCVVLNVDAGVDY---RLRVLKQAQLFKSPLGNEAQSWISECYTALTHTQTNSHE-PIVINNR-------VVETLGHTEDVLWCEFSELCLK-PRSPADFIEIANIYNTVLVSNVPHLTDFLSEGTRRFIYLVDEFYDRG---------------------VKLLLTSQDSI-IDIYQGEKLAFEIERT---RSRLLEMQS-----DEYLHSEHRHIDATKTS--- 2BVL Chain:A ((1-543)) MSLVNRKQLEKMANVRFRTQEDEYVAILDALEEYHNMSENTVVEKYLKLKDINSLTDICIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNLHFVWIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVESAINDTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENPELIIDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFGEFKNGESFNLYEQELVERWNLAAASDILRISALKEIGGMYLDVDMLPG---IQPDLFESIEKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFESVLASKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYCSNLIVKQIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMMELGKYLRVGFFPDVKTTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADLRNFEISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFEGAL

General information: TITO was launched using: RESULT: Template: 2BVL.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 : 1452 54850 37.78 145.49 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 37.78 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.196

(partial model without unconserved sides chains): PDB file : Tito_2BVL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BVL-query.scw PDB file : Tito_Scwrl_2BVL.pdb: