Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEISDIIYGQHHIDGVLEELIKSAPVQRLKGIYQGGASFLVNRKWNVTRYEHSIGVMLLIKKLGGTIE------EQIAGLLHDVSHTAFSHVVDVVFENQAEDYHENIFQQVIVHSEIPDILQKHGYH--TEELL-------SDDSRWTLLEQPAPELCADRTDYTLRDMYRYGHINLHEAQTFLDHLIVRNGRMFPDSIEAAEWFVSVYYKEVIDFFLNPVNVYGYEYLARALKAALRHDVISAEDLLKTDQEVLNILRASKNEEVLSLLTSIHPGIQVIEDDIQYDFHQKKKMRLIDPSIFLDDKWIKSSGVSEKVRKMGEAAYQKAKKGVYIKILKQ 2HEK Chain:B ((4-174)) -EFSDPLYGFVRVGEAGLRLIDSFPFQRLRYVKQLGLAYLVFPSAQHTRFEHSLGVYHITERICESLKVKEKELVKLAGLLHDLGHPPFSHTTEVLLPR--ERSHEDFTERVIKETEIYEILKQDYSHEDIERLVRITLGKPEDEEEKLLSEIITGEFGSDRMDYLRRDAYFCG----------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HEK.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 : 628 -70637 -112.48 -452.80 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -112.48 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.181

(partial model without unconserved sides chains): PDB file : Tito_2HEK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HEK-query.scw PDB file : Tito_Scwrl_2HEK.pdb: