Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEEFANRINLNTDLSNISKIICNKYNLGEYISDAVITVGYEDFNYTLETTQGKYCVKVFNKERTDIECEKYIERIELASKLNINTPKLYRVDEKSECNIKLENIKYRLCVFDYIDGK-SFYDLGKIPNQDEINEIIRQMAIIHKATLQSDFIYDKWA-IINFVKEFQNKKQYLNGNDYKKLEELYNRFL-QVDIEKLPKAFVHGDIISTNVMKDKNNKLWIIDFAVSNYVPRIIDLAVSSCNLCLDTENKENTKKKVKMILEEYQKYNKLTDYELEQFPLFFDIANAMGILQISHLNTLGELSEEDKFWYDESEKGLEFSNEEFWKDIYVKK 3DXQ Chain:B ((21-250)) --------------------------------GPLERLGGLTNLVFRA----GDLCLRIP-------NRANEAVAAREAAKAGVS-PEVLHVDPA-----------TGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDYLKVLSTKNVTLPAGY-HDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTG-ERMWIVDWEYSGMNDPLWDLGDLSVEGKFN-------ANQDEELMRAYFGGEA-RPAERGRVVIYKAMCD----------------------------------------------

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 : 987 -25575 -25.91 -116.78 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -25.91 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.267

(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: