Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYKKKSRNFSKNRGRSMNRILVVEDDPQLQLLYRSVLERAGFSVITALNGEDALKKLEATRIELIITDIMMPKMDGYDLLDSLRSTRFDTPVLMITAKADFEDKKRGFKLGADDYMTKPIDVNEMILRVEALLRRSKINYSSSLIIGQTKLELDAYTVLQDQHSLILPQKEFLLLYKLLSYPNKIFTRQQLMDDIWGLDTNTEERTIDVHIKRLRTRFEKTEDFQIITVRGLGYKAVI 4S04 Chain:A ((2-214)) -------------------KILVIEDDALLLQGLILAMQSEGYVCDGVSTAHEAALSLASNHYSLIVLDLGLPDEDGLHFLSRMRREKMTQPVLILTARDTLEDRISGLDTGADDYLVKPFALEELNARIRALLRRHNNQGDNEISVGNLRLNVTRRLVWLGETALDLTPKEYALLSRLMMKAGSPVHREILYNDIYSGDNEPATNTLEVHIHNLREKIGKS---RIRTVRGFGY----

General information: TITO was launched using: RESULT: Template: 4S04.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 : 975 -118355 -121.39 -555.65 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -121.39 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_4S04.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S04-query.scw PDB file : Tito_Scwrl_4S04.pdb: