Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFKKLKEKITKQTDSVSEKFKDGLEKTRNSFQNKVNDLVSRYRKVDEDF---FEELEEVLISADVGFTTVMELIDELKKEVKRRNIQDPKEVQSVISEKLVEIYNSGDEQI---SELNIQDGRLNVILLVGVNGVGKTTTIGKLAHKMKQEGKSVVLAAGDTFRAGAIEQLEVWGERTGVPVIKQTAGSDPAAVIYDAVHAAKARNADVLICDTAGRLQNKVNLMKELEKVKRVIEREVPEAPHEVLLALDATTGQNAMAQAKEFSKATNVTGIALTKLDGTAKGGIVLAIRNELHIPVKLVGLGEKVDDLQEFDPESYVYGLFSDLVEKADD 1JPJ Chain:A ((9-285)) --------------------------------LQEAIGRLRGRGRITEEDLKATLREIRRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVI---LATVYEALKEALGGEARLPVLKDR-NLWFLVGLQGSGKTTTAAKLALYYKGKGRRPLLVAADTQRPAAREQLRLLGEKVGVPVLEVMDGESPESIRRRVEEKARLEARDLILVDTAGRLQIDEPLMGELARLKEVL------GPDEVLLVLDAMTGQEALSVARAFDEKVGVTGLVLTKLDGDARGGAALSARHVTGKPIYFAGVSEKPEGLEPFYPE----------------

General information: TITO was launched using: RESULT: Template: 1JPJ.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 : 1442 -146177 -101.37 -539.40 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -101.37 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_1JPJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JPJ-query.scw PDB file : Tito_Scwrl_1JPJ.pdb: