Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKELNLHTLYTQHNRESWSGFGGHLSIAVSEEEAKAVEGLNDYLSVEEVETIYIPLVRLLHLHVKSAAERNKHVNVFLKHPHSAKIPFIIGIAGSVAVGKSTTARILQKLLSRLPDRPKVSLITTDGFLFPTAELKKKNMMSRKGFPESYDVKALLEFLNDLKSGKDSVKAPVYSHLTYDREEGVFEVVEQADIVIIEGINVLQSPTLEDDRENPRIFVSDFFDFSIYVDAEESRIFTWYLERFRLLRETAFQNPDSYFHKFKDLSDQEADEMAASIWESVNRPNLYENILPTKFRSDLILRKGDGHKVEEVLVRRV 4F7W Chain:G ((27-334)) --------MTPYLQFNRHQWAALRDSVPMTLTEDEITRLKGINEDLSLEEVAEIYLPLSRLLNFYISSNLRRQAVLEQFLG-TNGQRIPYIISIAGSVAVGKSTTARVLQALLSRWPEHRHVELITTDGFLHPNSVLKERGLMKKKGFPQSYDMHRLVKFVSDLKSGVPQATAPVYSHLIYDVIPDGDKTVAQPDILILEGLNVLQS-GMDYPHDPHHVFVSDFVDFSIYVDAPEELLKSWYINRFLKFREGAFTDPDSYFHNYAKLSKEEAVDIATSLWNEINLMNLKENILPTRERASLIMTKSANHSVNQVRLRK-

General information: TITO was launched using: RESULT: Template: 4F7W.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1464 -163434 -111.64 -530.63 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain G : 0.84 3D Compatibility (PKB) : -111.64 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_4F7W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4F7W-query.scw PDB file : Tito_Scwrl_4F7W.pdb: