Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILTMKKVTKTFGSGHTKVSALKAIDFYVKEGEFVSIIGPSGSGKSTFLTISGGLQTPTSGEIVINGHSLTELPEKKRADLRFKEIGFILQSSNLIPFLTVKEQFELVDQVTSK--KEDSTKIDSLLQSLDIQSLKNSYPKDLSGGERQRVAIARALYNEPSLILADEPTASLDTDHAYEVVKLLVKEAHEKQKATIMVTHDVRMIQ-WSDRVYRMEDGYLTEEEKKKE 3DHW Chain:C ((1-226)) ---MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKA-RRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDEATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVS-

General information: TITO was launched using: RESULT: Template: 3DHW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1155 -41292 -35.75 -185.16 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain C : 0.80 3D Compatibility (PKB) : -35.75 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_3DHW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DHW-query.scw PDB file : Tito_Scwrl_3DHW.pdb: