Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKRVLISVSDKAGIVEFAQELKKLGWEIISTGGTKVALDNAGVETIAIDDVTGFPEMMDGRVKTLHPNIHGGLLARRDLDSHLEAANENQIELIDLVVVNLYPFKETILKPDVTYADAVENIDIGGPSMLRSAAKNHASVTVVVDPADYTVVLDEL--SANGETTYETRQRLAAKVFRHTAAYDALIAEYFTAQVGESKPEKLTLTYDLKQAMRYGENPQQD-ADFY--QKALPTDYSIASAKQLNGKELSFNNIRDADAAIRIIRDFKDR---PTVVALKHMNPC----GIGQADD----------------IETAWDYAYESDPVSIFGGIAVLNREVDAATAEKMHGVFLEIIIAPSYTDEALAILINKKKNLRILALPFNAQEASEVEAEYTGVVGGLLVQ--NQDVVKESPADWQVVTKRQPTETEATALEFAWKAIKYVKSNGIIVTNDHMTLGVGPGQTNRVASVRLAIDQAKDRLDGAVLASDAFFPFADNVEEIAKAGIKAIIQPGGSVRDQESIEAADKYGLTMVFTGVRHFRH 1PKX Chain:A ((8-464)) -----LFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSELTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMARLD-FNLIRVVACNLYPFVKTVASPGVTVEEAVEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVVVSTEMQSSESKDTSLETRRQLALKAFTHTAQYDEAISDYFRKQYSKGVSQ---------MPLRYGMNPHQTPAQLYTLQPKLPITV-------LNGAP-GFINLCDALNAWQLVKELKEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPISAAYARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTIL-SKKKNGNYCVLQMD-QSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNVVTKNKDLPESALRDLIVATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIHCTRLAGDKA-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1PKX.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 : 2003 -58470 -29.19 -137.58 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -29.19 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_1PKX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PKX-query.scw PDB file : Tito_Scwrl_1PKX.pdb: