Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRTTIDEAIARVDDWKGKEISYKPVSGGITNPNFKVDVEGEHFFLKIPGAGTDYINREVCHEANMIADESKAGPRVYYYFEDTGVEIFQWLDGYRQVT-------------FGDVYDK-----DIFQ---SIFERIRDFHHLETKPLNLKQSIFEQAWDMNARAKKGGYISPFNDKMEYLLSAIEKALAGSE-ELCPCHNDFWTNNLMYNEETNDLKIIDYEYASMNDPYVDLGLISAVNYFTEDMDVEMMKIYGGGKVDERAFARMKLNKIACDIKWAYWALYQAASSNVEFDYMNWYGQKMARLQHFWLDSRLDYWLDVAREKSTRIS 3DXQ Chain:A ((27-282)) ---------------------------GGLTNLVFRAG----DLCLRIPGK---YINRANEAVAAREAAKAGVSPEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDY----LKVLS--NVTLPAGYHDVVREAGG----------------VRSALAAHPLPLAACHCDPLCENFLDTGERM--WIVDWEYSGMNDPLWDLGDLSVEGKFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLANDNPVDDFRAYADGRFARCK-----------------------

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 A - contact count / total energy / energy per contact / energy per residue : 1054 -16703 -15.85 -73.26 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -15.85 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.262

(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: