Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MVAQAIRNIISPKSVIAQYQKIDFSNKGTIPIRH---LNIGFDGKE-----IDIEFYVNNQFATLFFATLSVFLTYGEDL-------VIETARHHREFIQDPILKQRVTSLIGQ-------------EAIHSKLHNEFNDAI----KELEYPVDLYRFLGENFFKY----VFLKFPQPLKLSLMAGIEHFTAVLAEYMMKHEKNFYYTDDAKSR--------ALWMWHMLE--------------------------------ESEHKDIAYDVYQ----------ILNGNYPLRATGFLMAFITILGLIPTATLLVPVLRKPKELLT----RKFWKDARRGVNLIFSPKDGVFGSTIGQIFDYLRPNFHPNDHDTTQYLEYYKNKLLNEGGAIAPYFVKEFT-PPVRAVS--------------------------------------------------------------- 4EXK Chain:A ((4-478)) AKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPAAAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYAAGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSAVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVA-LKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQT-VDAALAAAQTNAAAN-TPSPDLTVMSID--KSVLSPGESATITTIVKDIDGNPVNEVHINKTVARENLKGLWDYGPLKKENVPGKYTQVITYRGHSNERIDISFKYAMSFTKEISIRGRLS

General information: TITO was launched using: RESULT: Template: 4EXK.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 : 1650 60457 36.64 191.93 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 36.64 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.151

(partial model without unconserved sides chains): PDB file : Tito_4EXK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EXK-query.scw PDB file : Tito_Scwrl_4EXK.pdb: