Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLIEFKHVQKKYDGKYVIDDLNLAIKKGEIFVLVGPSGSGKTTTLKMINGLSKPSAGDIYFKGKSLNEYNLQKMRWNMGYVLQQIALFPTMTVKQNIEVIPEMLGWEKQKRADRVD---ELLQKVGLSPDIYRDRMPRELSGGEQQRIGIIRAIAASPDVILMDEPFSALDPISRNSLQELVLSLHEELGTTIVFVTHNMEEAIKLGDRIAFMKDGEIIQCDTPEQLLMNPKNDYVRHFFDEPKQTKEWRVEDLVVNGYFLNEIPENARQQVCFDTPMKEVYSLLSVYPSIVIVEKQRSIGSLTSKEIFAFLSREEEGNENI 5L22 Chain:A ((348-545)) ------------------VLRNINMRILPGEFVAIIGPSGSGKSSLVRTILGIWLPVHGTVEIDGADLKQWDRDYFGKFVGYLPQDIELFEG-TVAENIARFGE-LDSEKIIEAAKLSGAHDVIIKLPDGYDTYIGPGGITLSGGQRQRIALARALYGNPRIVILDEPDSNLDEQGEQALYNALIELKKRKVTTII-VSHRI-RLLNLVDKIAIMQDGTL--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5L22.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 : 937 -48522 -51.78 -248.83 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -51.78 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.387

(partial model without unconserved sides chains): PDB file : Tito_5L22.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5L22-query.scw PDB file : Tito_Scwrl_5L22.pdb: