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 2B1I Chain:B ((8-486)) -----ALLSVSEKAGLVEFARSLNALGLGLIASGGTATALRDAGLPVRDVSDLTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMNKQDFSLVRVVVCNLYPFVKTVSSPGVTVPEAVEKIDIGGVALLRAAAKNHARVTVVCDPADYSSVAKEMAASKDKDTSVETRRHLALKAFTHTAQYDAAISDYF--RKEYSKGVSQL-------------PLRYGMNPHQSPAQLYTTRPKLPLTVVNGSP------GFINLCDALNAWQLVKELKQALGIPAAASFKHVSPAGAAVGIPLSEEEAQVCMVHDLHKTLTPLASAYARSRGADRMSSFGDFIALSDICDVPTAK-IISREVSDGVVAPGYEEEALKILSKKKNGGYCVLQMDPNYE---PDDNEIRTLYGLQLMQKRNNAVIDRSLFKNIVTKNKTLPESAVRDLIVASIAVKYTQSNSVCYAKDGQVIGIGAGQQSRIHCTRLAGDKANSWWLRHHPRVLS----MKFKAGVKRA-----------------------------------------

General information: TITO was launched using: RESULT: Template: 2B1I.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 : 2439 -53517 -21.94 -119.19 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -21.94 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_2B1I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B1I-query.scw PDB file : Tito_Scwrl_2B1I.pdb: