Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLGGIEAGGTKFVCAVGREDGTIIDRIEFPTK-----MPDETIEKVIQYFSQFSLQAIGIGSFGPVDNDKTSQTYGTITATPKAGWRHYPFLQTVKNEMKIPVGFSTDVNAAALGEFLFGEAKGLDSCLYITIGTGIGAGAIVEGRLLQGL--SHPEMGHIYIRRHPDDVYQGKCPYHGDCFEGLASGPAIEARWGKKAAD-----------LSDIAQVWELEGYYIAQA----------------------LAQYILILAPKKIILGGGVMQQKQVFSYIYQYVPKIMNSYLDFSELSDDISDYIVPPRLGSNAGIIGTLVLAHQALQAEAASGEVRS 3VGK Chain:A ((6-313)) ---GVDIGGTKIAAGVVDEEGRILSTFKVATPPTAEGIVDAICAAVAGASEGHDVEAVGIGAAGYVDDKRA-----TVLFAPNIDWRHEPLKDKVEQRVGLPVVVENDANAAAWGEYRFGAGQGHDDVICITLGTGLGGGIIIGNKLRRGRFGVAAEFGH--IRVVPDGLLCG-CGSQG-CWEQYASGRAL-VRYAKQRANATPENAAVLLGLGD-GSVDGIEGKHISEAARQGDPVAVDSFRELARWAGAGLADLASLFDPSAFIVGGGVSDEGEL---VLDPIRKSFRRWLIGGEWRPHAQ--VLAAQLGGKAGLVGAADLARQG------------

General information: TITO was launched using: RESULT: Template: 3VGK.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 : 1497 -169626 -113.31 -632.93 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -113.31 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_3VGK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VGK-query.scw PDB file : Tito_Scwrl_3VGK.pdb: