Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADRFIGSAVAVPASLDWLRATETGRIWLDKLPVLLETACEHFGLSEIGSPFSGGNVSLVVPARHDGEDVVLKLQFPDHECRHEAEALWRWNGKGA-VRLLKHAPELGALLLERCRPGQ-FLADDTE---TDRIGVVAGLLRLLTIPAGD-PFT-RLNDEAARWRDSLDHNWMAAGKPCEQYLVDAARKALQDLCLEKEAEEVLLHQDLHGHNILSSERDTWLAIDPK-PLAGDPAFALSPIVRSFEFGHSKAEARYRLDRLSEELE--LDRERARYWTIGQTMAWAFSSSYAERHFETVRWLLAEN 3DXQ Chain:B ((25-263)) ---------------------------------------------------RLGGLTNLVFRA----GDLCLRIP----NRANEAVAAREAAKAGVSPEVLHVDPATGVMVTRYI-AGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDYLKVLSTKNVTL-PAGYHDVVREAGGVRSALAA-HPLPLAACHCDPLCENFLDTG-ERMWIVDWEYSGMNDPLWDLGDLSVEGKF--NANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLAN-----------

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 : 1026 10234 9.97 46.31 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : 9.97 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.322

(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: