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 1QP4 Chain:A ((2-327)) --TIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMC-SEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMA----GRYLIERGHREIG-VIPGPLERNTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIER-

General information: TITO was launched using: RESULT: Template: 1QP4.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 : 1543 -78108 -50.62 -258.64 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -50.62 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_1QP4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QP4-query.scw PDB file : Tito_Scwrl_1QP4.pdb: