Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKFFLIAILAMCIVFSACSSNSVKNEENTSKEHAPDKIVLDHAFGQTILDKKPERVATIAWGNHDVALALGIVPVGFSKANYGVSADKGVLPWTEEKIKELNGKANLFDDLD-GLNFEAISNSKPDVILAGYSGITKEDYDTLSKIAP-VAAYKSKPWQTLWRDMIKIDSKALGMEKEGDELIKNTEARISKELEKHPEIKGK---IKGKKVLFTMINAADTSKFWIYTSKDPRANYLTDLGLVFPESLKEFESEDSFAKEISAEEANKINDADVII-TYGDDKTLEALQKDPLLGKINAIKNGAVAVIPDNTPLAASCTPTPLSINYTIEEYLNLLGNACKNAK 4MDY Chain:A ((15-257)) ---------------------------------------VTVRHAFGDTTIPGPPQRVVSAGLTEQDDLLAVGVVPIAVT--DWFGGEPFGVWPWAQ---RQLAGAQPAVLNLDNGIPVEEIAALKPDLIVATNAGLDADTYAKLSEIAPTVAQTGSEAFFEPWKDQATIIGQAVFKNAEMTELIKSVDDRFTTVKTDHPQFSGKKALLLGGTLYRGGVQA--TPPGW-------RTDFLTQMGLTVLQVPALIPRD---------EIASVLDGADVLIWTTESDQDRDALLADPIVAQLAATRR------------------------------------------

General information: TITO was launched using: RESULT: Template: 4MDY.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 : 1135 10381 9.15 43.80 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 9.15 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.528

(partial model without unconserved sides chains): PDB file : Tito_4MDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MDY-query.scw PDB file : Tito_Scwrl_4MDY.pdb: