Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEISDIIYGQHHIDGVLEELIKSAPVQRLKGIYQGGASFLVNRKWNVTRYEHSIGVMLLIKKLGGTIE------EQIAGLLHDVSHTAFSHVVDVVFE--NQAEDYHENIFQQVIVHSEIPDILQKHGYHTEE---LLSDDSRW------TL-LEQPAPELCADRTDYTLRDMYRYGHI-NLHEAQTFLDHLIVRNGRMFPDSI--EAAEWFVSVYYKEVIDFFLNPVNVYGYEYLARALKAALRHD-VISAEDLL-KTDQEVLNILRASKNEEVLSLLTSIHP----GIQVIEDDIQYDFHQKKKMR--------------------LIDPSIFLDDKWIKSSGVSEKVRKMGEAAYQKAKKGVYIKILKQ 2HEK Chain:A ((3-349)) KEFSDPLYGFVRVGEAGLRLIDSFPFQRLRYVKQLGLAYLVFPSAQHTRFEHSLGVYHITERICESLKVKEKELVKLAGLLHDLGHPPFSHTTEVLLPRERSHEDFTERV----IKETEIYEILKQ-DYSHEDIERLVRITLGKPEDEEEKLLSEIITGEFGSDRMDYLRRDAYFCGVSYGFFDYDRLISTLRVYENKVVVDESGLRALENFLISRYFMYVQVYFHKVVRILSIHLVEFLKKLISQEDFTDINNFLRLNDAFVISELFKRKA--FREDFERIFQRKHFKTLLST--ENYEKFSETKERLLEKFPQEKVRFDEVEKEVYGGNIYVLSSEGLKKAHELSPLIASLKPI----------------

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 A - contact count / total energy / energy per contact / energy per residue : 1340 -163353 -121.90 -544.51 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -121.90 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.313

(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: