Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQAKKQGVLERFYYSSDEIIEKPFNWAQMWRLLSYVKPYRKTILPLSFLTVLIGTAVKLVIPILIGVYVLDQAITGRN--SELLIQLIFIISGLYVLNYAANVLRIRWMNQLGQHVIYDLRQHLFTHVQRLSHRFFDQRSAGSILVRIMNDINSLQELFTSGVINLLTDLLLLAGVIIILFTLSPELTIAIMVTLPIMFFISTSLRKKIRRSWQTVRLKQSKLNSHLNESIQGIRVTQAFTQEEENMAYFDGVNQENYESWREATRKNAMFRPLVEMTNAIGTAVLIWYGATLIMNETITIGVFVSFAFYLGMFWEPISRLGQVYNQLLMGMASSERIFEFLDEQPNVKEKPN----AIHNEKINGEISFEEVEFSYDEK--RKALHAVSFSIPAGSTLALVGHTGSGKTTIANLISRFYDAA---GGTIKIDGIPIKDLSLASLRSQISIVLQDTFIFSGTIMENIRFGRPNASDEEVMKASQAVGADEFISDLAEGYATEVEERGSVLSAGQRQLISFARALLADPAIIILDEATASIDTETEVKIQQALKTLL--KGRTAVMIAHRLSTIRDADRIIVLDHGRKIEEGNHDQLLAK--GGIYAGLVKAQYSTAIE 3WMG Chain:A ((38-597)) -----------------------------------------------------LEGATLPAFAIVFG-RMFQVFTKSKSQIEGETWKYSVGFVGIGVFEFIVAGSRTALFGIASERLARDLRVAAFSNLVEQDVTYFDRRKAGELGGKLNNDVQVIQYSFSK-LGAVLFNLAQCVVGIIVAFIFAPALTGVLIALSPLVVLAVVVQMIEMSGNTKRSSEAYASAGSVAAEVFSNIRTTKAFEAERYETQRYGSKLDPLYRLGRRRYISDGLFFGLSMLVIFCVYALALWWGGQLIARGSLNLGNLLTAFFSAILGFMGVGQAAQVWPDVTRGLGAGGELFAMIDRVPQYRRPDPGAEVVTQPLVLKQGIVFENVHFRYPTRMNVEVLRGISLTIPNGKTVAIVGGSGAGKSTIIQLLMRFYDIEPQGGGLLLFDGTPAWNYDFHALRSQIGLVSQEPVLFSGTIRDNILYGKRDATDEEVIQALREANAYSFVMALPDGLDTEVGERGLALSGGQKQRIAIARAILKHPTLLCLDESTSALDAESEALVQEALDRMMASDGVTSVVIAHRLSTVARADLILVMQDGVVVEQGNHSELMALGPSGFYYQLVEKQLA----

General information: TITO was launched using: RESULT: Template: 3WMG.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 : 2209 -289368 -131.00 -530.95 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -131.00 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_3WMG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WMG-query.scw PDB file : Tito_Scwrl_3WMG.pdb: