Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEGASDKLLREPFRANFKRERSSSYSTERGSPTSPHLRRLRPLPTSSSEGKGAADGDGEEDPHTRRQAEPELFELTPHGGTANTNVRATRFGVEGLRIGRDPSCCDLVLPSNSVSRLHCVLSVLGDDVFVHDNSFNGTFINGRRVGRGRCSVLHPRDTLSFLNPTLEEASRCGFEFAPLPGHSSSAFTAVEGLRRYELGPVLGQGSLAAVRLGIDRETGAPVAIKLIERGRFSCEEAAAS--LHTEIEMMRSMDHPHVVRVVDAFEGSGCVALVMEYVRGGDLFDYIVGRGRNPF--TEAEARHLFGQLLEAILYIHGRSIIHCDLKPENVLVDVVRRGSDGEVDTTSASATATTQGVASSALQTDGDAALSVVDDHQAEAKTVSPYDVRLKLADFGSAKY--EGGGAGGGMLETTGAATPVYAAPELACFPADGAPPHEITAVVDVWSLGVLLYILCSGTVP----KPPRADAVVAFN-----RSMTHLSVLCKDLIARMMTVDPSQRPSLADVCHHPWLDGLTISGAPDRGALGSKDVLSVTAKLSPSFPEAAKPL 3MFS Chain:A ((26-290)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YELCEVIGKGAFSVVRRCINRETGQQFAVKIVDVAKFTSSPGLSTEDLKREASICHMLKHPHIVELLETYSSDGMLYMVFEFMDGADLCFEIVKRADAGFVYSEAVASHYMRQILEALRYCHDNNIIHRDVKPENVLL---------------------------------------------ASKENSAP----VKLGDFGVAIQLGESGLVAGGRV-----GTPHFMAPEVVKREPYGKP-------VDVWGCGVILFILLSGCLPFYGTKERLFEGIIKGKYKMNPRQWSHISESAKDLVRRMLMLDPAERITVYEALNHPWL-------------------------------------

General information: TITO was launched using: RESULT: Template: 3MFS.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 : 1168 -57629 -49.34 -230.51 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -49.34 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_3MFS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MFS-query.scw PDB file : Tito_Scwrl_3MFS.pdb: