Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTTIYDVAKAAGVSITTVSRVINNTGRISDKTRQKVMNVMNEMAYTPNVHAAALTGKRTNMIALVAPDISNPFYGELAKSIEERADELGFQMLICSTDYDPKKETKYFSVLKQKKVDGIIFATGIESHDSMSALEEIASEQIPIAMISQDKPLLPMDIVVIDD-VRGGYEAAKHLLSLGHTNIACIIGDGSTTGEKNRIKGFRQAMEEAGVPIDESLIIQTRFSLESGKEEAGKLLDR-NAPTAIFAFNDVLACAAIQAARIRGIKVPDDLSIIGFDNTILAEMAAPPLTTVAQPIKEMGAERHRTAGRSNRGKRKAKQKIVLPPELVVRHSTSPLNT 2PUA Chain:A ((2-331)) ---TIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLEEY--RHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLEANTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSVA----

General information: TITO was launched using: RESULT: Template: 2PUA.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 : 1779 -192958 -108.46 -588.29 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -108.46 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.596

(partial model without unconserved sides chains): PDB file : Tito_2PUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUA-query.scw PDB file : Tito_Scwrl_2PUA.pdb: