Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDPMNYYRVAREEWREFYRNGQAPLTQDELDNIKSLNDRISMQDVRDIYVPLAHLIYLYMKEFESLFLSKGLFLHKYVEVPPFIIGIAGSVAVGKSTTARLLQTILSRTFKRRNVQLITTDGFLYPNRILKERGIMDRKGFPESYDMEMLIDFLNRVKSGQEEIKVPVYSHDVYDIIPDKYELIQQPDILIVEGINTLQLPANQ-----QIYVSDFFDFSVYVDADPVLIEKWYLDRFGALLDTAFQNPENYYYRFAIGDREEAFKMAKDVWKNVNLKNLQEYILPTRGRADIILHKTENHIIDSIFMRKY 3TQC Chain:B ((13-320)) ---ITPYLQFNRQQWGNF----PLTLTESDLDKLQGQIEIVSLKEVTEIYLPLSRLLSFYVTARQTLQQATYQFLGKPEPKVPYIIGIAGSVAVGKSTTSRVLKALLSRWPDHPNVEVITTDGFLYSNAKLEKQGLMKRKGFPESYDMPSLLRVLNAIKSGQRNVRIPVYSHHYYDIVRGQYEIVDQPDIVILEGLNILQTGVRKTLQQLQVFVSDFFDFSLFVDAQAQVIQKWYIDRVLSFWRTTFKDPHSYFHYLTQMSETEVAAFAKHVWNEINKVNLMENILPYKNRAQLILEKAADHSIQKVYLRK-

General information: TITO was launched using: RESULT: Template: 3TQC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1403 -107748 -76.80 -360.36 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -76.80 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.590

(partial model without unconserved sides chains): PDB file : Tito_3TQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TQC-query.scw PDB file : Tito_Scwrl_3TQC.pdb: