Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIPMIYQMENSECGLACCAMILNYFKYEISLNELREIYPSSRSGYSLLSISKVLGDFNISSHAFKASVRDLKPLSFPLICFWESSHFIILEKISKNKFYILDPAKGRQRMSISEFERHYSNIILTFKKLDSFMSRKDNKKSPVLKYFFKYRNKLGILFFVTALLYVIQSLVPIANRYIIDTNFKDDSYSSRMLFTILFIFTVSFSLMYLLRQIYVASLKYIMDKEISYDFMKHLIYLPYSFYEKRTLGDILFRANSIVYIREILSNNFIAAILDLLMIVVYAVVLFSFSKYMVIFLISLS-LALSIVMYPIIKISKNLIDKNIKEKVNVQNITSEVISKNSDIKLTGEEEFWINKWDNFNTKQLIIGRKLDIHLSIVSSITNVLQIILPVLTLIVGVNIKTFEQLTLGQIVAISTVSPYFISPIISL----------SDNYIQLMLLKGYFLRIEDVFN-TKSELIPERVSQDIKFDKKIELKDIWYKYGL-FDDYVLKGINVTIKKGETVAIVGESGSGKSTLAKILLGL--LEPNIGSIEV-DGVEKEEIGQTLYRKIFGAVLQNSTLSYGTLRENLTFG-HFVSDEELMTNLNSIGLSNVVKSLPLGLETIIAEEGNNFSGGQQQMILLARCLLSKPSVVVLDEATSSLDNLSQQITTSYLSEI----GTTKILIAHRLDTIKSADKILVMHNGEIVEIGTHRELLELG--GIYKQLYSNN 3WME Chain:A ((100-591)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LARDLRVAAFSNLVEQDVTY-------------FDRRKAGELGGKLNNDVQVIQYSFSKLGAVLFNLAQCVVGIIVAFIFAPALTGVLIALSPLVVLAGAAQMIEMSGN-TKRSSEAYASAGSVAAEVFSNIRTTKAFEAERYETQRYGSKLDPLYRLGRRRYISDGLFFGLSMLVIFCVYALALWWGGQLIARGSLNLGNLLTA------FFSAILGFMGVGQAAQVWPDVTRGLGAGGELFAMIDRVPQYRRPDPGAEVVTQPLVLKQGIVFENVHFRYPTRMNVEVLRGISLTIPNGKTVAIVGGSGAGKSTIIQLLMRFYDIEPQGGGLLLFDGTPAWNYDFHALRSQIGLVSQEPVLFSGTIRDNILYGKRDATDEEVIQALREANAYSFVMALPDGLDTEVGERGLALSGGQKQRIAIARAILKHPTLLCLDESTSALDAESEALVQEALDRMMASDGVTSVVIAHRLSTVARADLILVMQDGVVVEQGNHSELMALGPSGFYYQL----

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 : 1857 -97575 -52.54 -208.05 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -52.54 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.339

(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: