Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRVTRLLEVKDLAISFKTYGGEVQAIRGVNFHLDKGETLAIVGESGSGKSVTSQAIMKLIPMPPGYFKRGEILFEGKDLVPLSEKEMQNVRGKEIGMIFQDPMTSLNPTMKVGKQITEVLFKHEKISKEAAKKRAVELLELVGIPMPEKRVNQFPHEFSGGMRQRVVIAMALAANPKLLIADEPTTALDVTIQAQILELMKDLQKKIDTSIIFITHDLGVVANVADRVAVMYAGQIVETGTVDEIFYDPRHPYTWGLLASMPTLE--SSGEEELTAIPGTPPDLTNPPKGDAFALRSSYAMKIDFEQEPPMFKVSDTHYVKSWLLHPDAPKVEPPEAVKAKMRKLANTFEKPVLVREVE 3TUI Chain:D ((24-286)) ------MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCV-NLLERPT----EGSVLVDGQELTTLSESELTKAR-RQIGMIFQH-FNLLSSRTVFGN--VALPLELDNTPKDEVKRRVTELLSLVGLG---DKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIPEDYQERLQAEPFT-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TUI.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 : 1297 -172243 -132.80 -659.93 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain D : 0.75 3D Compatibility (PKB) : -132.80 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_3TUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUI-query.scw PDB file : Tito_Scwrl_3TUI.pdb: