Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLISWNIDSLNAALTSDSARAKLSQEVLQTLVAENADIIAIQETKLSAKGPTKKHVEILEELFPGYENTWRSSQEPARKGYAGTMFLYKKELTPTISFPEIGAPSTMDLEGRIITLEFDAFFVTQVYTPNAGDGLKRLEERQVWDAKYAEYLAELDKEKPVLATGDYNVAHNEIDLANPASNRRSPGFTDEERAGFTNLLA-TGFTDTFRHVHGDVPERYTWWAQRSKTSKINNTGWRIDYWLTSNRIADKVTKSDMIDSGARQDHTPIVLEIDL 5DFF Chain:B ((20-276)) LKICSWNVDGLRAWIK---------KKGLDWVKEEAPDILCLQETKCSENKLPA----ELQE-LPGLSHQYWSAP-S----YSGVGLLSRQCP-LKVSYGIGD--E-----GRVIVAEFDSFVLVTAYVPNAGRGLVRLEYRQRWDEAFRKFLKGLASRKPLVLCGDLNVAHEEIDLRNPKGNKKNAGFTPQERQGFGELLQAVPLADSFRHLYPNTPYAYTFWTYMMNA-RSKNVGWRLDYFLLSHSLLPALCDSKIRSKALGSDHCPITLYLAL

General information: TITO was launched using: RESULT: Template: 5DFF.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 : 1407 -94724 -67.32 -383.50 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -67.32 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_5DFF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DFF-query.scw PDB file : Tito_Scwrl_5DFF.pdb: