Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKELNLHTLYTQHNRESWSGFGGHLSIAVSEEEAKAVEGLNDYLSVEEVETIYIPLVRLLHLHVKSAAERNKHVNVFLKHPHSAKIPFIIGIAGSVAVGKSTTARILQKLLSRLPDRPKVSLITTDGFLFPTAELKKKNMMSRKGFPESYDVKALLEFLNDLKSGKDSVKAPVYSHLTYDREEGVFEVVEQADIVIIEGINVLQSPTLEDDRENPRIFVSDFFDFSIYVDAEESRIFTWYLERFRLLRETAFQNPDSYFHKFKDLSDQEADEMAASIWESVNRPNLYENILPTKFRSDLILRKGDGHKVEEVLVRRV 3TQC Chain:A ((13-321)) --------ITPYLQFNRQQWGN------LTLTESDLDKLQGQIEIVSLKEVTEIYLPLSRLLSFYVTARQTLQQATYQFLGKPE-PKVPYIIGIAGSVAVGKSTTSRVLKALLSRWPDHPNVEVITTDGFLYSNAKLEKQGLMKRKGFPESYDMPSLLRVLNAIKSGQRNVRIPVYSHHYYDIVRGQYEIVDQPDIVILEGLNILQT-GVRKTLQQLQVFVSDFFDFSLFVDAQAQVIQKWYIDRVLSFWRTTFKDPHSYFHYLTQMSETEVAAFAKHVWNEINKVNLMENILPYKNRAQLILEKAADHSIQKVYLRKI

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 A - contact count / total energy / energy per contact / energy per residue : 1442 -174112 -120.74 -574.63 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -120.74 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.508

(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: