Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKELNLHTLYTQHNRESWSGFGGHLSIAVSEEEAKAVEGLNDYLSVEEVETIYIPLVRLLHLHVKSAAERNKHVNVFLKHPHS---AKIPFIIGIAGSVAVGKSTTARILQKLLSRLPDRPKVSLITTDGFLFPTAELKKKNMMSRKGFPESYDVKALLEFLNDLKSGKDSVKAPVYSHLTYDREEGVFEVVEQADIVIIEGINVLQSPTLEDDRENPRIFVSDFFDFSIYVDAEESRIFTWYLERFRLLRETAFQNPDSYFHKFKDLSDQEADEMAASIWESVNRPNLYENILPTKFRSDLILRKGDGHKVEEVLVRRV 3AVO Chain:A ((20-322)) -----------YVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQT--------GPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL

General information: TITO was launched using: RESULT: Template: 3AVO.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 : 1445 -22801 -15.78 -76.00 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -15.78 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_3AVO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AVO-query.scw PDB file : Tito_Scwrl_3AVO.pdb: