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

General information: TITO was launched using: RESULT: Template: 2PUD.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 : 1719 -21346 -12.42 -65.88 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -12.42 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_2PUD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUD-query.scw PDB file : Tito_Scwrl_2PUD.pdb: