Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKRVLISVSDKAGIVEFAQELKKLGWEIISTGGTKVALDNAGVETIAIDDVTGFPEMMDGRVKTLHPNIHGGLLARRDLDSHLEAANENQIELIDLVVVNLYPFKETILKPDVTYADAVENIDIGGPSMLRSAAKNHASVTVVVDPADYTVVLDELSA--NGETTYETRQRLAAKVFRHTAAYDALIAEYFTAQVGESKPEKLTLTYDLKQAMRYGENPQQD-ADFY--QKALPTDYSIASAKQLNGKELSFNNIRDADAAIRIIRDFKDR---PTVVALKHMNPCG-------------IGQADDIE-------TAWDYAYESDPVSIFGGIAVLNREVDAATAEKMHGVFLEIIIAPSYTDEALAILINKKKNLRILALPFNAQEASEVEAEYTGVVGGLLVQ--NQDVVKESPADWQVVTKRQPTETEATALEFAWKAIKYVKSNGIIVTNDHMTLGVGPGQTNRVASVRLAIDQAKDRLDGAVLASDAFFPFADNVEEIAKAGIKAIIQPGGSVRDQESIEAADKYGLTMVFTGVRHFRH 1THZ Chain:A ((9-463)) -----LLSVSEKAGLVEFARSLNALGLGLIASGGTATALRDAGLPVRDVSDLTGFPEMLGGRVKTLHPAVHAGILARNIPEDNAD-MNKQDFSLVRVVVCNLYPFVKTVSSPGVTVPEAVEKIDIGGVALLRAAAKNHARVTVVCDPADYSSVAKEMAASKDKDTSVETRRHLALKAFTHTAQYDAAISDYFRKEYSKGVSQ---------LPLRYGMNPHQSPAQLYTTRPKLPLTV-------VNGSP-GFINLCDALNAWQLVKELKQALGIPAAASFKHVSPAGAAVGIPLSEEEAQVCMVHDLHKTLTPLASAYARSRGADRMSSFGDFIALSDICDVPTAKIISREVSDGVVAPGYEEEALKIL-SKKKNGGYCVLQMDPNYEPD-DNEIRTLYGLQLMQKRNNAVIDRSLFKNIVTKNKTLPESAVRDLIVASIAVKYTQSNSVCYAKDGQVIGIGAGQQSRIHCTRLAGDKA-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1THZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2041 -77289 -37.87 -181.86 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -37.87 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_1THZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1THZ-query.scw PDB file : Tito_Scwrl_1THZ.pdb: