Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------MESHIYRIIKNKLTIIIFTIIILIPCVDISLLLMTNTEY-------------HPAYAFFLSGTSVGH---------ASQMILLWFL---PLYFLLLCADDSIQDYKTGYHYILISKVGRKKYCLEKIFTSFIISFLTMFLSLIL---------NFLLVQVFFFKGTFKNDLDQIKFPDNSLYTFSMAHPYIAIVLFSIICCIMSGFVGALGSSLSLLFRDKKYAYPASFFIWFVLILKNKSLMFLFQPFTEYGYNVLLPILCLSIFIFLIIISSIVLYEAKYNEN--------------------------------------------------- 1W5C Chain:D ((1-350)) MTIAIGRAPAERGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGCNFLTVAVSTPANSMGHSLLLLWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFM-LRQFEIARLVGVRPYNAIA-FSAPIAVFVSVFLIYPLGQSSWFFAPSFGVAAIFRFLLFFQGFHN---WTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTANRFWSQIFGIAFSN-KRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEFETFYTKNLLLNEGIRAWMAPQDQPHENFVFPEEVLPRGN

General information: TITO was launched using: RESULT: Template: 1W5C.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 783 -104616 -133.61 -427.00 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain D : 0.61 3D Compatibility (PKB) : -133.61 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.108

(partial model without unconserved sides chains): PDB file : Tito_1W5C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W5C-query.scw PDB file : Tito_Scwrl_1W5C.pdb: