Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELNLKEDWSKKMKTALNRTPASFPVRRMDYNFEDTPRYWCNHEPSLTHYFTGLSTLFPEGESYFVRSVRALRAKAKENEILDREIGAFIGQEAMHSKEHHAFHVSAQQYGLNPESL-EKATGIV---LKAIEKVFSKKWNLLVTVGLEHYTAVLVVSMMQSVNELMTENTIRNLWLWHSVEETEHKAVAYDLYQHLYGNGLDAYIPRVGIFTFSLVLITAFSTIYHIVLMKRDKQLTNFKTWRNFFKFASKQYKVLIPKFLEYYRFDFHPNQTDEKALVAATKVKLGINDRSLLLS 2RBD Chain:A ((13-156)) --------------------------------------------PLHYGEVFSTWTYL-STNNGLINGYRSFINHTG-DEDLKNLIDEAIQAMQDENHQ---LEELLRSNGVGLPPAPPDRPAARLDDIP-VGARFNDPEISATISMDVAKGLVTCSQIIG---Q-SIREDVALMFSQFHMAKVQFGGKMLKLNKNKG---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2RBD.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 : 488 -18046 -36.98 -128.90 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -36.98 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.256

(partial model without unconserved sides chains): PDB file : Tito_2RBD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RBD-query.scw PDB file : Tito_Scwrl_2RBD.pdb: