Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLVEDDHSISEMVDHYLTKEGFGIVHAFDGEEGIRLFQQGSYDLVLLDIMLPKLNGMDFLKIIREKSNIPVLMISAKDGDVDKALGLGFGADDYIAKPFSMIELTARVKAAIRRATQYSAEEPAVNKVIRIHQLAIDIDNVSVLKNGEPLQLTSTEWQLLCLFASNPKKVFTKEQIYRSVWNEEYFDDQNIINVHMRRLREKIEDDPSSPQYIKTLWGIGYKLGEF 1NXX Chain:A ((5-119)) LIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDL----IDGLEVAKTIRKTSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRS---------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NXX.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 : 511 -87395 -171.03 -787.34 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -171.03 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_1NXX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NXX-query.scw PDB file : Tito_Scwrl_1NXX.pdb: