Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRMKVNQMSLLEHIAELRKRLLIVALAFVVFFIAGFFLAKPIIVYLQETDEA--KQLTLNAFNLTDPLYVFMQFAFIIGIVLTSPVILYQLWAFVSPGLYEKERKVTLSYIPVSILLFLAGLSFSYYILFPFVVDFMKRISQD-LNVNQVIGINEYFHFLLQLTIPFGLLFQMPVILMFLTRLGIVTPMFLAKIRKYAYFTLLVIAALITPPELLSHMMVTVPLLILYEISILISKAAYRKAQKSSAADRDVSSGQ 4B4A Chain:A ((5-229)) ------------EHLRELRYRLIISIIAFLIGSGIAFYFAKYVFEILKEPILKSYPEVELITLSPTEPLFILIKISLAVGFIIASPVILYQFWRFIEPALYSHEKRAFIPLLLGSILLFMLGALFAYFIVLPLALKFLLGLGFTQLLATPYLSVDMYISFVLKLVVAFGIAFEMPIVLYVLQKAGVITPEQLASFRKYFIVIAFVIGAIIAP-DVSTQVLMAIPLLLLYEISIFLGKL-------------------

General information: TITO was launched using: RESULT: Template: 4B4A.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 : 800 -188368 -235.46 -848.50 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -235.46 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.416

(partial model without unconserved sides chains): PDB file : Tito_4B4A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4B4A-query.scw PDB file : Tito_Scwrl_4B4A.pdb: