Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKSPDLPVLPGSDQVAPASAIWSSETWRWEAVRWMDTALARRGLERVPTTPLQPRVRPWSTVLVAETTDQGRVWFKATSPEMSPEAAILRALRSVTPDAVPVVWADDPERGWLLMPD-QGP-VLRDVQRDDDAVSLMSSVVRRYARLQRSSTRVVDQLRD-AGVPDMSPRESARRWQRL--GLKP---DTTREVRRAAQRLDAVGLPLTIQHDDLHAGNVFADGTSAGAHDARIFDWGDASVGNPLCSLLVPLERIGEGLDDDAARAARERILRAYLSVWSDVVSSTALSAAVDDALLIARVGRVFTWQRALTRASADERHAWGVHGRRLIAEINRSLGHAPEPSHD 3DXQ Chain:B ((28-286)) ---------------------------------------------------------GLTNLVFRAG-----DLCLRIP--NRANEAVAAREAAKAG-VS-PEVLHVDPATGVMVTRYIAGAQTMSPEKF-----KTRPGSPARAGEAFRKLHGSGAVFPFRFELFA-MIDDYLKVLSTKNVTLPAGYHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTG-----ERMWIVDWEYSGMNDPLWDLGDLSVEGKFN------ANQDEELMRAYFGGEA----RPAERGRVVIYKAMCDLLWTLWGLIQLAN--DNPVDDFRAYADGRFARCKALME--------

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 : 1146 10993 9.59 45.24 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : 9.59 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.363

(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: