Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------MDRKKDEIQRKYREQMREKKEREKEDGSSHTFEIVVVLA-----IIILMFFFNSVFKAF------------------------------------------------------------------------------------------------------------------- 2CL3 Chain:A ((21-227)) GNKYIQQTKPLTLERTINLYPLTNYTFGTKEPLYEKDSSVAARFQRMREEFDKIGMRRTVEGVLIVHEHRLPHVLLLQLGTTFFKLPGGELNPGEDEVEGLKRLMTEILGRQDWVIDDCIGNWWRPNFEPPQYPYIPAHITKPKEHKKLFLVQLQEKALFAVPKNYKLVAAPLFELYDNAPGYGPIISSLPQLLSRFNFIYN

General information: TITO was launched using: RESULT: Template: 2CL3.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 : 68 -8327 -122.46 -154.20 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -122.46 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_2CL3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CL3-query.scw PDB file : Tito_Scwrl_2CL3.pdb: