Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDVHKDIKKIFHEEQVLAEAAARYGFSKDQVRFLADAENYVYECMKDNQPYILKITHTIRRSSDYMMGEMEWLRHLAIGGISVAKPLPSLNGKDVEAVPDGNGGSFLLRVYEKAPG-QKVDESDWN--ETLFYELGRYTGSMHSLTKSYKLSNPA-FKRQEWDEEEQLKLRKYVPEDQIKVFQQADSLMNELRRLPKSQDNYGLVHADLHHGNFNWDHGKITAFDFDDIGYNWFVNDISILLYNVLWYPVVPYDDKAAFTEEFMTHFMKGYWEENELDPAWLMIIPDFLRLRHMLIYGLLHQMFDLNTIGEEEKEMLAGFRRDIENGTPITAFDFSALV 3DXQ Chain:A ((13-283)) ---------------------IPMLAGYTGPLERLGGLTNLVFRA----GDLCLRIPGK----YINRANEAVAAREAAKAGV-SPEVLHVD-------------PATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDYLKVLS--N-VTLPAGYHDVVREAGGVRSA---LAAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEGKF------------NANQDEELMRAYFGGEAR-PAERGRVVIYKAMCDLLWTLWGLIQLAND---NPVDDFRAYADGRFARCKA----------

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 : 1225 -125338 -102.32 -480.22 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -102.32 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.414

(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: