Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLTDPPSLGTAQAASVIAAAVRLLTKRTGAEVTLVEVEDLGGTGQTLVVRARVGENPFSLPRTLVIKQTPPQGSREMFTREVVSYQFTTSLATGDRPGPELLAWDSEERVLIISDLGEAT-PMSQVLASQSGGEENALMAWAQRLGRMHAATAGREIDFAALLRRAKVPPSRDIIGQQVQGAVLALPRQLREQLSLETPEEVRAIAAKAKELFD-KGTMRAFSPADPGPDNILLTADQGVRFLDYEWGGFRDATLDIAYALVTYRGAMRKEESKEYWSELDQRIVQAWRAEAVAVWPALADDVTLQKRVLGAMLIWVWLTTAWWLPGHGRDGAWSHRHSLSTPTPQALMARWEGLLGLANAAGDLAVAEHAETVIAALRAAWRW 3DXQ Chain:B ((26-264)) ------------------------------------------LGGLTNLVFRA----G------DLCLRIP-------NRANEAVAAREAAKA---GVS-PEVLHVDPATGVMVTRYIA-GAQTMSPEKFK---TRPGSPARAGEAFRKLHGSGAVFPFRFEL-FAM----------IDDYLKVL----STKNVTLPA-GYHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDT-GERMWIVDWEYSGMNDPLWDLGDLSVEGK-------FN---ANQDEELMRAYFGGE----ARPAERGRVVIYKAMCDLLWTLWGLIQLAND---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DXQ.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 : 1074 -16949 -15.78 -74.01 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -15.78 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.279

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: