Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANIKEIARLANVSVSTVSRVLNHHPYVSEEKRKLVHQVMKELDYTPNRTAIDLIRGKTHTVGVILPYSDHPCFDKIVNGITKAAFQHEYATTLLPTNYNPDIEIKYLELLRTKKIDGLIITSRANHWDSILAY-QEYG--PVIACE------DTGDIDVPCAFNDRKTAYAESFRYLKSRGHENIAFTCVREADRSPSTADKAAAYKAV---CGRLEDRHMLSGCNDMNDGELAAEHFYMSGRVPTAIYANSDEVAAGIHLFAKKNNW----DVEIIGEGNTSISRVL--GFPSLDLNLEQLGIAAFSLFL------QDEPADIKIQHKFKKKA 1BDI Chain:A ((2-327)) --TIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMC-SEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMA----GRYLIERGHREIG-VIPGPLERNTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIER-

General information: TITO was launched using: RESULT: Template: 1BDI.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 : 1564 -71270 -45.57 -235.99 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -45.57 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.482

(partial model without unconserved sides chains): PDB file : Tito_1BDI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BDI-query.scw PDB file : Tito_Scwrl_1BDI.pdb: