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 3O72 Chain:A ((13-386)) -----------------------------------------------VARNEKQ-----PFYGEHQAGILTPQQAAMMLVAFDVLASDKADLERLFRLLTQRFAFLTQGG-AAPETPNPRLPPLDSGILGGYIAPDNLTITLSVGHSLFD----ERFGLAPQMPKKLQKMTRFPNDSLDAALCHGDVLLQICANTQDTVIHALRDIIKHTPDLLSVRWKREGFISDHAARSKGKETPINLLGFKDGTANPDSQNDKLMQKVVWVTADQQEPAWTIGGSYQAVRLIQFRVEFWDRTPLKEQQTIFGRDKQTGAPLGMQHEHDVPDYASDPEGKGIALDSHIRLANPRTAESESSLMLRRGYSYSLGVT-NSGQLDMGLLFVCYQHDLEKGFLTVQKRLNG-EALEEYVKPIGGGYFFALPGVKDANDYLGSALL--

General information: TITO was launched using: RESULT: Template: 3O72.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 : 1863 19593 10.52 55.19 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 10.52 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.393

(partial model without unconserved sides chains): PDB file : Tito_3O72.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3O72-query.scw PDB file : Tito_Scwrl_3O72.pdb: