Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLKTKASIKFGICVGLLCLSITGFTPFFNSTHAEAKSIEDTNMASCITNKKFVQLEKKFDARLGVYAIDIGSNKTIAYRPNERFAYASTYKVLAAAAVLKKNSIEKLNEVIHYSKDDLVTYSPITEKHLDTGMSLKEISEAAIRYSDNTAGNILLQQLGGPKGFEKSLKQIGDHVTKAKRFETDLNSAIPGDIRDTSTAKALATDLKAFTLDNTLTTDKRMILTDWMRGNATGDELIRAGAPIGWEVGDKSGAGSYGTRNDIAIVWPPNRAPIVVAILSNRFTKDANYDNALIAEAAKVVLNDLK 4A5R Chain:A ((8-260)) ----------------------------------------------------FAKLEEQFDAKLGIFALDTGTNRTVTYRPDERFAFASTIKALTVGVLLQQKSIEDLNQRITYTRDDLVNYNPITEKHVDTGMTLKELADASLRYSDNTAQNLILKQIGGPESLKKELRKIGDEVTNPERFEPELNEVNPGETQDTSTARALATSLQAFALEDKLPSEKRELLIDWMKRNTTGDALIRAGVPEGWEVADKTGAGSYGTRNDIAIIWPPKGDPVVLAVLSSRDKKDAKYDDKLIAEATKVVVKAL-

General information: TITO was launched using: RESULT: Template: 4A5R.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 : 1512 -80497 -53.24 -318.17 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -53.24 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_4A5R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A5R-query.scw PDB file : Tito_Scwrl_4A5R.pdb: