Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVMNLLFFREIEKTKASNFIQLSDWIATDSARNQLILKDILAQVAEGRNILVLVNRIQQIDVFEKLLKEKEVDDCYIISGKTKVRERERVYWRR 4CRW Chain:B ((19-77)) ------------------------------QKVHCLNTLFSRL--QINQSIIFCNSSQRVELLAKKISQ-LGYSCFYIHAKMRQEHRNRVFH--

General information: TITO was launched using: RESULT: Template: 4CRW.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 : 123 -21566 -175.33 -365.53 target 2D structure prediction score : 0.83 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -175.33 2D Compatibility (Sec. Struct. Predict.) : 0.83 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.574

(partial model without unconserved sides chains): PDB file : Tito_4CRW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CRW-query.scw PDB file : Tito_Scwrl_4CRW.pdb: