Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDEQKKPEQIHRRDILKWGAMAGAAVAIGASGLGGLAPLVQTAAKPSKKDEKEEEQIVPFYGKHQAGITTAHQTYVYFAALDVTAKDKSDIITLFRNWTSLTQMLTSGKKMSAEQRNQYLPPQDTGESAD--LSPSNLTVTFGFGPGFFEKDGKDRFGLKSKKPKHLAALPAMPNDNLDEKQGGGDICIQVCADDEQVAFHALRNLLNQAVGTCEVRFVNKGFLSGGK----NGETPRNLFGFKDGTGNQSTKDDTLMNSIVWIQSG--EPDWMTGGTYMAFRKIKMFLEVWDRSSLKDQEDTFGRRKSSGAPFGQKKETDPVKLN------QIPSNSHVSLAKS-T----GKQILRRAFSYTEGLDPKTGYMDAGLLFISFQKNPDNQFIPMLKALSAKDALNEYTQTIGSALYACPGGCK-KGEYIAQRLLES 3O72 Chain:A ((13-387)) ----------------------------------------------------VARNEKQPFYGEHQAGILTPQQAAMMLVAFDVLASDKADLERLFRLLTQRFAFLTQGGAAPETPN--PRLPPLDSGILGGYIAPDNLTITLSVGHSLFDER----FGLAPQMPKKLQKMTRFPNDSLDAALCHGDVLLQICANTQDTVIHALRDIIKHTPDLLSVRWKREGFISDHAARSKGKETPINLLGFKDGTANPDSQNDKLMQKVVWVTADQQEPAWTIGGSYQAVRLIQFRVEFWDRTPLKEQQTIFGRDKQTGAPLGMQHEHDVPDYASDPEGKGIALDSHIRLANPRTAESESSLMLRRGYSYSLGVTNS-GQLDMGLLFVCYQHDLEKGFLTVQKRLN-GEALEEYVKPIGGGYFFALPGVKDANDYLGSALLR-

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 35227 18.91 99.23 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 18.91 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.372

(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: