Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIKRALISVSDKTGIVEFAQNLAALGVELLSTGGTYKLLKDNNIAVVEVSEHTGFPEMMDGRVKTLHPKIHGGILARR-GLDEAVMQEHNIDPIDLVVVNLYPFAATVAKPNCSLADAIENIDIGGPTMVRAAAKNHASVGIVVNASDYDTVISELKAS--GSLSYETRFDLAVKAFEHTAQYDGMIASYLGARVGKAEGEADLFPRTFNTQLNKAQDLRYGENPHQSAA-FYVEANAKEASVSTAKQLQGKELSYNNIADTDAALECVKSFAK----PACVIVKHANPCGVAV-------------------SLDGIKAAYDLAYATDPESAFGGIIAFNRELDVATAQAIVDRQFVEVIIAPSIADGVLEVTGAKKNVRVLVCGELPAIDARAPQLDYKRVNGGL-LVQDQDLGMITKDDLK-VVTK-RAPTEQEIDDLIFAWKVAKYVKSNAIVYAKNRQTIGVGAGQMSRVNSARIAAIKAEHAGLVVEGAVMASDAFFPFRDGIDNAAKAGIKCIIQPGGSMRDEEVIAAADEAGIAMVFTGMRHFRH 2IU0 Chain:B ((8-486)) -----ALLSVSEKAGLVEFARSLNALGLGLIASGGTATALRDAGLPVRDVSDLTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMNKQDFSLVRVVVCNLYPFVKTVSSPGVTVPEAVEKIDIGGVALLRAAAKNHARVTVVCDPADYSSVAKEMAASKDKDTSVETRRHLALKAFTHTAQYDAAISDYF--RKEYSKGVSQL-------------PLRYGMNPHQSPAQLYTTRPKLPLTVVNGSP------GFINLCDALNAWQLVKELKQALGIPAAASFKHVSPAGAAVGIPLSEEEAQVCMVHDLHKTLTPLASAYARSRGADRMSSFGDFIALSDICDVPTAK-IISREVSDGVVAPGYEEEALKILSKKKNGGYCVLQMDPNYE---PDDNEIRTLYGLQLMQKRNNAVIDRSLFKNIVTKNKTLPESAVRDLIVASIAVKYTQSNSVCYAKDGQVIGIGAGQQSRIHCTRLAGDKANSWWLRHHPRVLS----MKFKAGVKRA-----------------------------------------

General information: TITO was launched using: RESULT: Template: 2IU0.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2276 -51851 -22.78 -115.48 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -22.78 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_2IU0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IU0-query.scw PDB file : Tito_Scwrl_2IU0.pdb: