Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKELNLHTLYTQHNRESWSGFGGHLSIAVSEEEAKAVEGLNDYLSVEEVETIYIPLVRLLHLHVKSAAERNKHVNVFLKHPHSAKIPFIIGIAGSVAVGKSTTARILQKLLSRLPDRPKVSLITTDGFLFPTAELKKKNMMSRKGFPESYDVKALLEFLNDLKSGKDSVKAPVYSHLTYDREEGVFEVVEQADIVIIEGINVLQSPTLEDDRENPRIFVSDFFDFSIYVDAEESRIFTWYLERFRLLRETAFQNPDSYFHKFKDLSDQEADEMAASIWESVNRPNLYENILPTKFRSDLILRKGDGHKVEEVLVRRV 4GI7 Chain:C ((26-334)) -------LMTPYLQFNRHQWAALRDSVPMTLTEDEITRLKGINEDLSLEEVAEIYLPLSRLLNFYISSNLRRQAVLEQFLG-TNGQRIPYIISIAGSVAVGKSTTARVLQALLSRWPEHRHVELITTDGFLHPNSVLKERGLMKKKGFPQSYDMHRLVKFVSDLKSGVPQATAPVYSHLIYDVIPDGDKTVAQPDILILEGLNVLQS-GMDYPHDPHHVFVSDFVDFSIYVDAPEELLKSWYINRFLKFREGAFTDPDSYFHNYAKLSKEEAVDIATSLWNEINLMNLKENILPTRERASLIMTKSANHSVNQVRLRK-

General information: TITO was launched using: RESULT: Template: 4GI7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1448 -164345 -113.50 -531.86 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain C : 0.84 3D Compatibility (PKB) : -113.50 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_4GI7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GI7-query.scw PDB file : Tito_Scwrl_4GI7.pdb: