Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFKKLKEKITKQTDSVSEKFKDGLEKTRNSFQNKVNDLVSRYRKVDEDF---FEELEEVLISADVGFTTVMELIDELKKEVKRRNIQDPKEVQSVISEKLVEIYNSGDEQI---SELNIQDGRLNVILLVGVNGVGKTTTIGKLAHKMKQEGKSVVLAAGDTFRAGAIEQLEVWGERTGVPVIKQTAGSDPAAVIYDAVHAAKARNADVLICDTAGRLQNKVNLMKELEKVKRVIEREVPEAPHEVLLALDATTGQNAMAQAKEFSKATNVTGIALTKLDGTAKGGIVLAIRNELHIPVKLVGLGEKVDDLQEFDPESYVYGLFSDLVEKADD 1LS1 Chain:A ((9-285)) --------------------------------LQEAIGRLRGRGRITEEDLKATLREIRRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVI---LATVYEALKEALGGEARLPVLKDR-NLWFLVGLQGSGKTTTAAKLALYYKGKGRRPLLVAADTQRPAAREQLRLLGEKVGVPVLEVMDGESPESIRRRVEEKARLEARDLILVDTAGRLQIDEPLMGELARLKEVL------GPDEVLLVLDAMTGQEALSVARAFDEKVGVTGLVLTKLDGDARGGAALSARHVTGKPIYFAG------GLEPFYPE----------------

General information: TITO was launched using: RESULT: Template: 1LS1.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 : 1389 -152930 -110.10 -577.09 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -110.10 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_1LS1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LS1-query.scw PDB file : Tito_Scwrl_1LS1.pdb: