Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKSIEPTPSPNTMKVILTEELPAGKSNNYKPEQAEGAPLVIAEILKIDGVKGVYHVADFLAVERNARYDWKDILPQVRTAFGMESAESAEENRSDQESFGEVKVFVQMFSGIPMQVKLTDGEREERFGLPERFQQAILKLRSEASNVVFERAWKEQGVRFGDFDEIGHDVTEELQAAYSDERLKRLTEAAAQGKGEAKQAVQRKAYKVTLDMLDDEDWKKRYAHLEQMDPKEEDIPVLQKALDDPKVSIRRQAVVYLGMIETPDVLPLLYKALEDKAVSVRRTAGDCLSDIGDPQAIPAMIKSLSDSSKLVRWRAAMFLYEVGDESAIEALRAAEDDPEFEVSLQVKMALERIEHGEEAKGSVWKQMTESRKKGE 4JW2 Chain:B ((12-134)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DP--EKVEMYIKNLQDDSYYVRRAAAYALGKIGDERAVEPLIKALKDEDAWVRRAAADALGQIGDERAVEPLIKALKDEDGWVRQSAAVALGQIGDERAVEPLIKALKDEDWFVRIAAAFALGEI----------------------

General information: TITO was launched using: RESULT: Template: 4JW2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 609 -55590 -91.28 -451.95 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -91.28 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.614

(partial model without unconserved sides chains): PDB file : Tito_4JW2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JW2-query.scw PDB file : Tito_Scwrl_4JW2.pdb: