Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQHTLLPKKTERLQYFGSVSPIKGEKPVEKEKMKDLQNIRKDYFFDIQHVGVANVSHPVTITSAM--MPAEQTTAANFTMTCNLPRN------QKGINMSRLTELLQVYHQNGWILSFSSLQQFTKELAENMDTSSATVEVRFPWFFERKSPKLEKAGLMHADIFMSVTYRKDQPFKQRAGISAKVTTLCPCSKEISEYSAHNQRGTVSIWADIHPAASLPSDVKADLLHAAESNASARLHPVLKRPDEKAVTETAYENPRFVEDLARLIAADLFELEWVSAFEIECRNEESIHLHDAYAKLCFSKEVDKI 3R2E Chain:A ((0-83)) ----------------------------------------------AMDIVFIEELSVITTIGVYDWEQTIQQKLVFDIEMGWDNRKAAGSDDVNDCLSYADISEAVIQHVGS---QRFALVERVAEEVAELL-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3R2E.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 : 222 -46103 -207.67 -606.61 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -207.67 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.607

(partial model without unconserved sides chains): PDB file : Tito_3R2E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R2E-query.scw PDB file : Tito_Scwrl_3R2E.pdb: