Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAENLSQMGAANVQRLVDQYGQQVIEKCPVSP---VEYAFYERAAEELNSRGIKTPTLLSADPHPRRLRLEYIPGK-VSQDE-----VSGDDIL-KCLSHLHHTPPDPTWVYHPHSWPEKALEKSLAL-----LRLPDRAAHQMRCFQQAGSV---LFRQKCLISGDTNAGNWGRRENGEWVLFDWERFGTGSPAIDLAPLVKGMG-SRQSILQLAERYSVHCPHMPARQLATEITLAKAWIVSEVMSLLYDRNKTDFELYLNWYRETLPGWLDEAISVL 3DXQ Chain:B ((30-234)) ----------TNLVFRA-----GDLCLRIP---NRANEAVAAREAAKA----GVS-PEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRF---EL-FAMIDDYLKVLSTKNVTLPAGYHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTG-ERMWIVDWEYSGMNDPLWDLGDLSVEGKFNANQDEELMRAYFGGEA--------------------------------------------------------

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 : 728 6017 8.26 33.80 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : 8.26 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.264

(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: