Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKLKIGITCYPSVGGSGIIATELGKQLAEKGHEIHFITSSIPFRLNTYHPNIHFHEVEVNQYAVFKYPPYDLTLASKIAEVAERENLDIIHAHYALPHAVCAYLAKQMLKRNIGIVTTLHGTDITVLGYDPSLKDLIRFAIESSDRVTAVSSALAAETYDLIKPEKKIETIYNFIDERVYLKKNTAAIKEKHGILPDEKVVIHVSNF-RKVKRVQDVIRVFRNIAGKTK-AKLLLVGDGPEKSTACELIRKYGLEDQVLMLG--NQDRVEDLYSISDLKLLLSEK-ESFGLVLLEAMACGVPCIGTNIGGIPEVIKNNVSGFLVDVGDVTAATARAMSILEDEQLSNRFTKAAIEMLENEFSSKKIVSQYEQIYADLAEPE------ 2GEK Chain:A ((21-393)) MRIGMVCPYSFDVPGGVQSHVLQLAEVLRDAGHEVSVLAPASP------------HVKLPDYVVSGGKAVFGPATHRKVKKWIAEGDFDVLHIHEPNAPSLSMLALQAAE---GPIVATFH-TSTTKSLTLSVFQGILRPYHEKIIGRIAVSDLARRWQMEALGS--DAVEIPNGVDVASFAD-----APLLDGYPREGRTVLFLGRYDEPRKGMAVLLAALPKLVARFPDVEILIVGRGDEDELREQ---AGDLAGHLRFLGQVDDATKASAMRSADVYCAPHLGGESFGIVLVEAMAAGTAVVASDLDAFRRVLADGDAGRLVPVDDADGMAAALIGILEDDQLRAGYVARASERVH-RYDWSVVSAQIMRVYETVSGAGIKVQVS

General information: TITO was launched using: RESULT: Template: 2GEK.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 : 1952 -132111 -67.68 -377.46 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -67.68 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_2GEK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GEK-query.scw PDB file : Tito_Scwrl_2GEK.pdb: