Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIRPDIFSEIKQYIDIFHIEPVRKGYSEDMKYLLTAKSGERFLLRITESDNTQILAGRKEMYSLMDTLAKYSSLVPRSRACWISHNAYSCIMIHEYIEGD-DGEESLHRYSQETQYEIGYRAGIELKKLHQLAAPATLSSWYTRKKQKHERYCDACNREHLAPEELDLEPIHRYIADNIHLM--KNVSQTFQHDDYHPANLIINNGQLTGIIDFNRYDWGDPIHDFYKLAFFSREISIPFSRGQIDGYFMGNVPSDFWKRYALYNAMSIVPSIVWFSRMASR----KEFRDELKRAITLIRTLIDDHKGFTSAIPQWYQ 3DXQ Chain:B ((8-286)) -----AKLAAIPMLAGYTGPLERLGGLTNL-VFRA-----GDLCLRIP---------NRANEAVAAREAAKAGVS-PEVLHVDP----ATGVMVTRYIAGAQTMSPEKF----KTRPGSPARAGEAFRKLHGSGAVFPFRFE---LFAMIDDYLKVLSTKNVTLPA-GYHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTG-ERMWIVDWEYSGMNDPLWDLGDL-SVEGKFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLANDNPVDDFRAYADGRFARCKALME--------------

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 : 1257 -39427 -31.37 -149.34 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -31.37 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.290

(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: