Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKWFEKLVDPYPTKGLDEPLPTRFFPFVWQATEGVRPYLLLLIICTAGAASFEALLFSKIGQLVDWLSNSQPE---SFLSQHASNILILISVLFANIQSIIKHQILYSTFPMRLRWRFHNLLLKQSLDFFHNDFAGRLSAKVMQTALAVREFWIILGDMLAYVSIYFITVSIVLGAISPTLLIPLMVWLGLFLLSAWFFIPRLSKVSQQQADARAVMTGRVTDAYTNIQTVKLFAHAGRESQYAKASMKEFMTIVYAQMRLGTLFEVSINLLSAVLFVGVIGTAVWLWTQGLAALGVIAATTAMILKLNSMAEFMMWHMSALFENVGTIQDGMQTLGKKINIQDKSD----AKPLAVTQGEIVFKDVTFAYNNK---NVIDHFNLHIKAGEKIGIVGRSGAGKSTLIQLLLHFY---HLKEGAILIDGQNIEDVTQDSLRANIALVTQDTSLLHRSVAENIKYGRPDATDQDMQSAVHKAKAAEFIPQLVDLKGRSGYEAQVGERGVKLSGGQRQRIAIARVFLKDAPILILDEATSALDSEVEAAIQSSLNDLM--VDKTVIAIAHRLSTIAQMDRLIVLDEGKIAEQGTHEELIAK--NGIYAQLWKRQTGGFLIEQKVVQGQD 3WME Chain:A ((21-597)) -------------------------------AWSSSATMIVIGFIASILEGATLPAFAIVFGRMFQVFTKSKSQIEGETWKYSVGFVGIGVFEFIVAGSRTALFGIASERLARDLRVAAFSNLVEQDVTYFDRRKAGELGGKLNNDVQVIQYSFSK-LGAVLFNLAQCVVGIIVAFIFAPALTGVLIALSPLVVLAGAAQMIEMSGNTKRSSEAYASAGSVAAEVFSNIRTTKAFEAERYETQRYGSKLDPLYRLGRRRYISDGLFFGLSMLVIFCVYALALWWGGQLIARGSLNLGNLLTAFFSAILGFMGVGQAAQVWPDVTRGLGAGGELFAMIDRVPQYRRPDPGAEVVTQPLVLKQGIVFENVHFRYPTRMNVEVLRGISLTIPNGKTVAIVGGSGAGKSTIIQLLMRFYDIEPQGGGLLLFDGTPAWNYDFHALRSQIGLVSQEPVLFSGTIRDNILYGKRDATDEEVIQALREANAYSFVMALP-----DGLDTEVGERGLALSGGQKQRIAIARAILKHPTLLCLDESTSALDAESEALVQEALDRMMASDGVTSVVIAHRLSTVARADLILVMQDGVVVEQGNHSELMALGPSGFYYQLVEKQLA-------------

General information: TITO was launched using: RESULT: Template: 3WME.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 : 2351 -111979 -47.63 -199.96 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -47.63 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_3WME.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WME-query.scw PDB file : Tito_Scwrl_3WME.pdb: