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

General information: TITO was launched using: RESULT: Template: 2PUE.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 : 1670 -24495 -14.67 -76.55 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -14.67 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_2PUE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUE-query.scw PDB file : Tito_Scwrl_2PUE.pdb: