Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLTIRDIAEMAGVSVTTVSQILNNKGSRF-SDKTRKKVLSIVNEHHYKPDYFASNVINRHSKTIGMIVPDVTDFFFSKLIEGVESYLNPLGYVIMLCNSRHSQENEIKYLQELSHRSVDGILLATPNILPEKYALDSGFYQKMPIILIDRGLNRRD-NGRLIVKEYEGAYQAVSLFIENGHTKIGMLKETTGYYQLEERFNGYRHALKDHGLPFNGKFVEHGELTVQGGYTASKKLLK--HKDITAIFCGNDAMAIGCYQAIDELGKKIPEDISVIGFDGLKLSEYMIPQLTTVQQPSFDIGFYAARFLIDTIEFPQRKVPNKV-FETKLIIRESVKVLTKG 2PUA Chain:A ((2-330)) ---TIKDVAKRANVSTTTVSHVINK--TRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSE-YPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLEANTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRP-TAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRI-VNKREEPQSIEVHPRLIERRSV------

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 : 1726 -18439 -10.68 -56.91 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -10.68 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.555

(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: