Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKRKGCFAAAGFMMIFVFVIASFLLVLLFFNRDLIKKLPIDTKTIVLERLTDYKPLVEEELESQGLSNYTSLILGMMYQESKGKGNDPMQSSESLGLKRNEITDPQLSVKQGIKQFTLMYKTGKEKGV-DLDTIIQSYNMGAGYIDFVAEHGGTHTEELAKQYSEQQVKKNPDLYTCG-GNAKNFRYPYCYGDYTYAEKVKEKTKTVEESLQVATLETMESKAHE 4HPE Chain:A ((27-178)) ------------------------------------------------------HQPMVEKYARENGISEYVNVLLAIIQVESGGTAEDVMQSSESLGLPPNSL-DTESSIKQGCKYFASLLSSSKNQGIDDLNVAIQSYNYGGGYVGYVAGKGKKHTFNLAESFAREKSGGKKVTYTNPIAVAKNGGWRWNYGNMFYVELVNQ-----------------------

General information: TITO was launched using: RESULT: Template: 4HPE.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 : 686 -11493 -16.75 -78.18 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -16.75 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.438

(partial model without unconserved sides chains): PDB file : Tito_4HPE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HPE-query.scw PDB file : Tito_Scwrl_4HPE.pdb: