Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSLKGKRIGFGLTGSHCTYEAVFPQIEELVNEGAEVRPVVTFNVKSTNTRFGEGAEWVKKIEDLTGYEAIDSIVKAEPLGPKLPLDCMVIAPLTGNSMSKLANAMTDSPVLMAAKATIRNNRPVVLGISTNDALGLNGTNLMRLMSTKNIFFIPFGQDDPFKKPNSMVAKMDLLPQTIEKALMHQQLQPILVENYQGND 3MCU Chain:A ((2-196)) --SLKGKRIGFGFTGSHCTYEEVMPHLEKLIAEGAEVRPVVSY------------AEWIKKIEEITGFKAINSIVGAEPLGPKIPLDCMVIAPLTGNSMSKFANAMTDSPVLMAAKATLRNGKPVVLAVSTNDALGLNGVNLMRLMATKNIYFVPFGQDAPEKKPNSMVARMELLEDTVLEALQGKQLQPVVVEKFR---

General information: TITO was launched using: RESULT: Template: 3MCU.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 : 981 -148391 -151.26 -810.88 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.93 3D Compatibility (PKB) : -151.26 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_3MCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MCU-query.scw PDB file : Tito_Scwrl_3MCU.pdb: