Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDEQKKPEQIHRRDILKWGAMAGAAVAIGASGLGGLAPLVQTAAKPSKKDEKEEEQIVPFYGKHQAGITTAHQTYVYFAALDVTAKDKSDIITLFRNWTSLTQMLTSGKKMSAEQRNQYLPPQDTG-ESADLSPSNLTVTFGFGPGFFEKDGKDRFGLKSKKPKHLAALPAMPNDNLDEKQGGGDICIQVCADDEQVAFHALRNLLNQAVGTCEVRFVNKGFLSG----GKNGETPRNLFGFKDGTGNQSTKDDTLMNSIVWIQSG--EPDWMTGGTYMAFRKIKMFLEVWDRSSLKDQEDTFGRRKSSGAPFGQKKETDPVKLNQIPS------NSHVSL-----AKSTGKQILRRAFSYTEGLDPKTGYMDAGLLFISFQKNPDNQFIPMLKALSAKDALNEYTQTIGSA-LYACPGGCKKGEYIAQRLLES 2Y4E Chain:B ((20-401)) ------------------------------------------SAPGTLSPDARNEKQ--PFYGEHQAGILTPQQAAMMLVAFDVLASDKADLERLFRLLTQRFAFLTQGGA-APETPNPRLPPLDSGILGGYIAPDNLTITLSVGHSLFD----ERFGLAPQMPKKLQKMTRFPNDSLDAALCHGDVLLQICANTQDTVIHALRDIIKHTPDLLSVRWKREGFISDHAARSKGKETPINLLGFKDGTANPDSQNDKLMQKVVWVTADQQEPAWTIGGSYQAVRLIQFRVEFWDRTPLKEQQTIFGRDKQTGAPLGMQHEHDVPDYASDPEGKVIALDSHIRLANPRTAESESSLMLRRGYSYSLGVT-NSGQLDMGLLFVCYQHDLEKGFLTVQKRLNG-EALEEYVKPIGGGYFFALPGVKDANDYFGSALL--

General information: TITO was launched using: RESULT: Template: 2Y4E.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1959 36269 18.51 99.91 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : 18.51 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_2Y4E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y4E-query.scw PDB file : Tito_Scwrl_2Y4E.pdb: