Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSLKGKRIGFGLTGSHCTYEAVFPQIEELVNEGAEVRPVVTFNVKSTNTRFGEGAEWVKKIEDLTGYEAIDSIVKAEPLGPKLPLDCMVIAPLTGNSMSKLANAMTDSPVLMAAKATIRNNRPVVLGISTNDALGLNGTNLMRLMSTKNIFFIPFGQDDPFKKPNSMVAKMDLLPQTIEKALMHQQLQPILVENYQGND 3LQK Chain:A ((4-197)) --NFAGKHVGFGLTGSHCTYHEVLPQMERLVELGAKVTPFVTHTVQTTDTKFGESSEWINKIKQITEEPIVDSMVKAEPFGPKTPLDCMVIAPMTGNSTSKFANAMTDSPVLMGAKATLRNGKPVVVGISTNDALGLNGINIMRLMATKNIYFIPFGQDNPQVKPNSLVARMEALPETIEAALRGQQYQPVLIEKF----

General information: TITO was launched using: RESULT: Template: 3LQK.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 : 1052 -136037 -129.31 -701.22 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.92 3D Compatibility (PKB) : -129.31 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_3LQK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LQK-query.scw PDB file : Tito_Scwrl_3LQK.pdb: