Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKMKSPILRLRRLRRTKAIRGLLCENNFSVEDLVQPIFIEESITQPIPISTMPGIYRLPEQDIEQEVKALYALGIRCVMPFGISHH--KDSMGSDTWSDTGLLVRMIKAIKSSCPEMIVTPDICFCEYTTHGHCGVMIHD-QISNDLTVENLIKQSLAAAKAGADMLAPSGMMDGQVGAIREALDQAGYHN-VLIMAHAIKFASALYGPFRVAVDSN-LVGDRHSYQLDYANTRQALREAALDESEGADLLIVKPGMFYLDILSQLR-AQTKLPLAAYQVGGEYAAIKFAAIAKALDERKTVIESITAFKRAGADVIITYFAKDIAIWHNEF 5HNR Chain:A ((24-328)) --------------------------TTLNASNLIYPIFVTDVPDDIQPITSLPGVARYGVKRLEEMLRPLVEEGLRCVLIFGVPSRVPKDERGSAADSEESPAIEAIHLLRKTFPNLLVACDVCLCPYTSHGHCGLLS--GAFRAEESRQRLAEVALAYAKAGCQVVAPSDMMDGRVEAIKEALMAHGLGNRVSVMSYSAKFASCFYGPFRDAAKSSPAFGDRRCYQLPPGARGLALRAVDRDVREGADMLMVKPGMPYLDIVREVKDKHPDLPLAVYHVSGEFAMLWHGAQAGAFDLKAAVLEAMTAFRRAGADIIITYYTPQLLQWLK--

General information: TITO was launched using: RESULT: Template: 5HNR.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 : 1667 -75556 -45.32 -254.40 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -45.32 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_5HNR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HNR-query.scw PDB file : Tito_Scwrl_5HNR.pdb: