Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKELNLHTLYTQHNRESWSGFGGHLSIAVSEEEAKAVEGLNDYLSVEEVETIYIPLVRLLHLHVKSAAERNKHVNVFLKHPHSAKIPFIIGIAGSVAVGKSTTARILQKLLSRLPDRPKVSLITTDGFLFPTAELKKKNMMSRKGFPESYDVKALLEFLNDLKSGKDSVKAPVYSHLTYDREEGVFEVVEQADIVIIEGINVLQSPTLEDDRENPRIFVSDFFDFSIYVDAEESRIFTWYLERFRLLRETAFQNPDSYFHKFKDLSDQEADEMAASIWESVNRPNLYENILPTKFRSDLILRKGDGHKVEEVLVRRV 3TQC Chain:B ((13-321)) --------ITPYLQFNRQQWGNF----PLTLTESDLDKLQGQIEIVSLKEVTEIYLPLSRLLSFYVTARQTLQQATYQFLGKPE-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 B - contact count / total energy / energy per contact / energy per residue : 1464 -178773 -122.11 -586.14 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -122.11 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.507

(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: