Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTELHSLVFDTLSHDQQVARLHELARHALQQWDG--EFADIELVK-FRENAVFSARRHDGQRVALRIHRNGYHS--QAALRSELQWMEALADAGITVPPIIRAQNQSHLVEVTHQAIGEPRHIDMLAWLPGATAGTSENGVQADTEIDFLFSEAGAIAARIHLHSAHWQQPDEFVRHAWDEEGLIGANPFWGRFWEL---EQLS--DEQRDLLQQARRTARKDLRQYGRHLGNFGMIHADLVPENLLIEG---PRLRLIDFDDAGFGWHMFELATALYFCLD-----------DPRYEQIKVALLDGYNA--VKPLTEADRKTLALFLMLRGTTYLGWIHTRQGTPTAIEMAPMLIERACLLAREYLQV 4WH3 Chain:A ((7-306)) -----------------------VLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGP-RYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEI------DGGAWRVYKFIEHTVSYNLVP-------NPDVFREAGSAFGDFQNFLSEFDASQLTE-TIAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLLTMECGMR-------------------------------

General information: TITO was launched using: RESULT: Template: 4WH3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1204 -44989 -37.37 -164.19 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -37.37 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_4WH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh3-query.scw PDB file : Tito_Scwrl_4WH3.pdb: