Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKTNDFMEIMKGRRSIRNYDPAVKISKEEMTEILEEATTAPSSVNAQPWRFLVIDSPEGKEKLAPLASFNQTQVTTSSAVIAVFADMNNADYLEEIYSKAVELGYMPQEVKDRQIAALTAHFEKLPAQVNRETILIDGGLVSMQLMLTARAHGYDTNPIGGYDKENIAETFGLDKERYVPVMLLSIGKAADEG--YASYRLPIDTIAEWK 3BEM Chain:A ((13-218)) ---MAEFTHLVNERRSASNFLSGHPITKEDLNEMFELVALAPSAFNLQHTKYVTVLDQDVKEKLKQA-ANGQYKVVSSSAVLLVLGDKQAYQQAADIYEGLKVLGILNKQEYDHMVQDTVSFYENRGEQFKRDEAIRNASLSAMMFMLSAAAAGWDTCPMIGFDAEAVKRILNIDDQ-FEVVMMITIGKEKTESRRPRGYRKPVNEFVEYM

General information: TITO was launched using: RESULT: Template: 3BEM.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 : 851 -91433 -107.44 -448.20 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -107.44 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.595

(partial model without unconserved sides chains): PDB file : Tito_3BEM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BEM-query.scw PDB file : Tito_Scwrl_3BEM.pdb: