Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMLTSKASLRLTLLASAIFLVACQPKSDPKESEDQQKPAVVEQ-KPVELTLKGETVPSKVTLPDCDGKTCPEFTVARLQSNFPFIDKIIDQQVLKALGQILEIAEPDAKAAQADKKTEASTAAATEQQDSFDAQVQRYANSFIDLDNDLKALSSNHQINLLVKPKIIQSQGKVVTVVVNSSSYLGGAHGSAAQQYYNFDLKKEKQVKLEGLLRPEKKAALEKLAHEAFKAWVTDSKLVNS-VSEYEQAWPFKLTENFLLGDQGLILQYGEYEIGPYVVGLPRLVIPYDQLQDVLKEEYLPQPKAKPASTPAVKSTS 3CYG Chain:A ((36-250)) -----------------------------------------LRMKVFEIVKSSTENEI-----------------VRIHVELPRLKYLKDSNFEEKFNSEVEEKIKKFVNEVKGIAQEDHDKD-----------------------------VQHTPYEAYVSVDVRYEGKDFLSFVVYYYQFTGGAHGITFFETYNIDLKNSKVLKLYDIIKEEAEDTIKSNILKQIEQNNTDFFPDAPMNILK----DDIFSREFTISKDGLIIMYPHYDLAPYASGMPEFVIPWNVIEKFLKYDILSLLKEGH----------

General information: TITO was launched using: RESULT: Template: 3CYG.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 : 928 23923 25.78 112.31 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 25.78 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_3CYG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CYG-query.scw PDB file : Tito_Scwrl_3CYG.pdb: