Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVIVLGSGVIGVASAYYLARQGAEVTVLDRQSGPAEETS-FGNAGQISPGYSTPWAAPGIPFKAVKWMFQHHAPLAINLDGSMWQLQWMAQMLKNCNPQSYAVNKERMMRVAEYSRDCLRELRKDTGIHYENRAKGTLQLFRKEAQMEAVQRDISVLEECGVSYELLNGNELGRVEPALANAQDKLVGGLHLPNDETGDCYLFTNALAQIAKELGVNFQFNQNVEKLIVEGDQIKGVQVNGKVLTADRYVLAFGSYSRDFLKPLDLQLPVYP---VKGY------SLTIPIVAPAFAPQSTVLDETY-----------KIAITRFDQRIRVGGMAELSGFNLGLNEDRHATLQMVTQDLFPGGDMEQASFWTGLRPMTPDSTPIIG-ATRFKNLFLNTGHGTLGWTMACGSGKLISDIVLNHKTDISTDGLSIQRYSHAHAA 3BHK Chain:A ((7-378)) --VIVVGAGSMGMAAGYQLAKQGVKTLLVDAFDPPHTNGSHHGDTKIIRHAYGEG---------------REYVPLALR------------------------------------SQELWYELEKET--HHKIFTKTGVLVFGPKGESAFVAETMEAAKEHSLTVDLLEGDEINKRWPGITVPEN--YNAIFEPNSGVLFSENCIRAYRELAEARGAKVLTHTRVEDFDISPDSVKIETANGS-YTADKLIVSMGAWNSKLLSKLNLDIPLQPYRQVVGFFESDESKYSNDIDFPGFMVE--VPNGIYYGFPSFGGCGLKLGYHTFGQKIDPDTINR----EFGVYPEDESNLRAFLEEYMPGANGELKRGAVCMYTKTLDEHFIIDLHPEHSNVVIAAGFSGHGFKFSSGVGEVLSQLALTGKTEHDISIFSINR-------

General information: TITO was launched using: RESULT: Template: 3BHK.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 : 2173 12630 5.81 36.09 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 5.81 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_3BHK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BHK-query.scw PDB file : Tito_Scwrl_3BHK.pdb: