Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIADQTFVKKVNQKLLLKEILKNSPISRAKLSEMTGLNKSTVSSQVNTLMKENLVFEIGQGQSSGGRRPVMLVFNKKAGYSIGIDVGVDYISGILTDLEGTIILDQHHHLESNSP-EITKDILIDMIHHFITRMPQSPYGLIGIGICVPGLIDKN-QKIVFTPNSNWRDIDLKSFIQEKFNVPVFIENEANAGAYGEKVFGAAKNHNNIIYASISTGIGIGVIINNHLYRGVSGFSGEMGHMTIDFNGPKCSCGNRGCWELYASEKALLKSLQTKE--K----------------KVSYQDIIDLAHLNDIGTLNALQNFGFYLGIGLTNILNTFNPQAIILRNSIIESHPMVLNSIRSEVSSRVYP-QLGNSYELLPSSLGKNAPALGMSSIVIEHFLDIVKM 3VGL Chain:A ((2-313)) -------------------------------------------------------------------------------GLTIGVDIGGTKIAAGVVDEEGRILSTFKVATPP-TAEGI-VDAICAAVAGA-----SEGHDVEAVGIGAAGYVDDKRATVLFAPNIDWRHEPLKDKVEQRVGLPVVVENDANAAAWGEYRFGAGQGHDDVICITLGTGLGGGIIIGNKLRRGRFGVAAEFGHIRVVPDGLLCGCGSQGCWEQYASGRALVRYAKQRANATPENAAVLLGLGDGSVDGIEGKHISEAARQGDPVAVDSFRELARWAGAGLADLASLFDPSAFIVGGGVSDEGELVLDPIRKSFRRWLIGGEWRPHAQVLAAQLGGKAGLVGAADLARQG-------

General information: TITO was launched using: RESULT: Template: 3VGL.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 : 1927 -202722 -105.20 -696.64 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -105.20 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_3VGL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VGL-query.scw PDB file : Tito_Scwrl_3VGL.pdb: