Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------MKKITALLFALCATVTHAELQTLDNDALQAIN-GQAGADLSLM----LNLNQTSNGIFDNGSG-----------GVCENVEFCH-IGLAINKRFVQADTT-KPSGWAENSDSGNKLWLVFKGVQGTLNIQKMGLDGADLKYLDKSNTEIIKLAIQLSFSAAQPILIRNFG--FNALSIEQDNFTSSTTTQGSSANMYDYAYFKKPTYAATANSANQQVATATPSAYDYGRETGFMG-------------LMMNGNMAIQ--GKVMVFSC----DGSHPRC-------------------------------------------------------- 4QVG Chain:A ((4-344)) ELSALVPVLFGHAAFQQLNAGCQLGLFELLHERGPLSAEEVADALRLPRRSADILLLGTTALGLSTVTDGGYRNGAPIGAAFRDGLWPVLRDIVQYQDKIAYQPAADYVESLRTGQNAGIRHFPGTTRDLYSRLAAVPGLEELFYRGMHA----WSQLSNPVLLA---QPDFTRVHRVLDVGGGDAVNAVALARAHPSLRVTVLDRPGALEVARKTIAE--AGLEERVRTHAADIFTDSYPAGHDCVLFAHQLVIWSPEQNLTLLRKAYDAVEPGGRVLVFNAFTDDDRTGPLYAALDNVYFTTLPFRHSTIHRWADCESWLREAGFTDVGRTAPPGWTPHGVVSGSRPR

General information: TITO was launched using: RESULT: Template: 4QVG.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 : 843 18312 21.72 78.93 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 21.72 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.114

(partial model without unconserved sides chains): PDB file : Tito_4QVG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QVG-query.scw PDB file : Tito_Scwrl_4QVG.pdb: