Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIKIEGIHDDRLHRPLQNIANLFYEECELAYGGEEPADFVISLALSQTDEHVTVSGEVKGTGIKEQHTKFFSPDMTEKEAFKQVKNTISYVYLNLLQAHTGITQKWGILTGIRPTKLLHKKLQSGMSKEQAHAELKKDYLIHDEKIMLMQEIVDRQLAAVPDLYRVKDEVSIYIGIP-FCPTKCAYCTFPAYAIQGQAGRVGSFLWGLHYEMQKIGEWLKEHDVKVTTIYFGGGT--PTS-ITA--EEMDLLYEEMVRSFPDVKNIREITVEAGRPDTITEEKLAVLNKYDIDRISINPQSYENETLKAIG-RHHTVEETIEKYHLSRQHGMNNINMDLIIGLPGEGVKE-FRHSLS----ETEKLMPESLTVHTLSFKRASEMTRNKHKYKVAGREEVSQMMEDAVAWTKEHGYVPYYLYRQKNILGNLENVGYSLPGQESIYNIMIMEEVQTIIGIGCGAASKFIDRDTGKITHFANPKDPKSYNERFEHYTDEKIKYLEQIFEKTTKQH 4FHD Chain:A ((108-298)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------EYAIPLATGCMGHCHYCYLQTTLGSKPYIRVYVNLDDIFAQAQKYIN---ERA--PEITRFEAACTSDIVGIDHLTHSLKKAIEFIGAT-----DYGRLRFVT-KYEHV--DHLLDARHNGKTRFRFSINS--RYVINHFEPGTSSFDGRLAAARKVAGAGYK-LGFVVAPIYRHEGWERGYFELFQELARQLEGMDLSDLTFELIQ---------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FHD.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 : 828 -77284 -93.34 -431.75 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -93.34 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.348

(partial model without unconserved sides chains): PDB file : Tito_4FHD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FHD-query.scw PDB file : Tito_Scwrl_4FHD.pdb: