Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKPLILASQSPRRKELLDLLQLPYSIIVSEVEEKLNRNFSPEENVQWLAKQKAKAVADLHPHAIVIGADTMVCLDGECLGKPQDQEEAASMLRRLSGRSHSVITAVSIQAENHSETFYDKTEVAFWSLSEEEIWTYIETKEPMDKAGAYGIQGRGALFVKKIDGDYYSVMGLPISKTMRALRHFDIRA 4HEB Chain:B ((23-209)) -TKPLILASQSPRRKELLDLLQLPYSIIVSEV----NRNFSPEENVQWLAKQKAKAVADLHPHAIVIGADTMVCLDGECLGKPQDQEEAASMLRRLSGRSHSVITAVSIQAENHSETFYDKTEVAFWSLSEEEIWTYIETKEPMDKAGAYGIQGRGALFVKKIDGDYYSVMGLPISKTMRALRHFDIR-

General information: TITO was launched using: RESULT: Template: 4HEB.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 : 947 -105214 -111.10 -574.94 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.99 3D Compatibility (PKB) : -111.10 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.99 QMean score : 0.600

(partial model without unconserved sides chains): PDB file : Tito_4HEB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HEB-query.scw PDB file : Tito_Scwrl_4HEB.pdb: