Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDALVLRDLSKTYRNG---FQALKGINLTVPEGEFYALLGPNGAGKSTTIGIISSLTKKTSGTVEIFGHNLDT----HPSLAKQQLGVVPQEFNFGQFEKAFDILVTQAGYYGIHRKIAEKRAEHYLEKLGLWEKRNIQARMLSGGMKRRLMIARAMMHEPKLLILDEPTAGVDIELRRSMWDFLTEMNEN-GTSIILTTHYLEEAEMLCRQIAIIDRG-VIKEDTSMKSFLNQLSEESFIFDLAEPIAPLQLNIIGVKFNLIDGSTLEVTMDKAHTLNDLFQLLESQGIRVRSMRNKSNRLEELFVKMVEKNLEGAAK 3TUZ Chain:H ((27-252)) ------LSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVF----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TUZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1083 2390 2.21 11.01 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain H : 0.71 3D Compatibility (PKB) : 2.21 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_3TUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUZ-query.scw PDB file : Tito_Scwrl_3TUZ.pdb: