Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKELNLHTLYTQHNRESWSGFGGHLSIAVSEEEAKAVEGLNDYLSVEEVETIYIPLVRLLHLHVKSAAERNKHVNVFLKHPHS---AKIPFIIGIAGSVAVGKSTTARILQKLLSRLPDRPKVSLITTDGFLFPTAELKKKNMMSRKGFPESYDVKALLEFLNDLKSGKDSVKAPVYSHLTYDREEGVFEVVEQADIVIIEGINVLQSPTLEDDRENPRIFVSDFFDFSIYVDAEESRIFTWYLERFRLLRETAFQNPDSYFHKFKDLSDQEADEMAASIWESVNRPNLYENILPTKFRSDLILRKGDGHKVEEVLVRRV 4BFW Chain:B ((16-318)) -----------YVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQT--------GPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL

General information: TITO was launched using: RESULT: Template: 4BFW.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 : 1382 -35988 -26.04 -119.96 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -26.04 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_4BFW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BFW-query.scw PDB file : Tito_Scwrl_4BFW.pdb: