Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRTSSSGLPKGTRARSGKIQINFKWNDKREWFTLDLIDTPANFIKAAKIREDFVNKAKYGILKIEDIKAVTAKPIKKADASQKTLPASNAPTFAHYAQEYLYNLSDHKQGTKKKYLSILERLWMPLFED----------MPINTITSQMLRTAVNGRE-WSSAKTRNDALIPLRGVFELACDDEVID--KNPCDRL-----KNQKTQEDEPDPFNEMEKEIILNWLKEKYI--SDYPTVYWYFVVAFWTGCRPSEIIALTWQDVDFLNKQIYINKGRVNGVQQETTKTNKARFVDLNDF-AFEAFQQLRLLTY---LKYEHVFICDETGKEFTTQKSLSEKFVASLKANGIR--YRPAYNTRHTYATVCLMNGLNPVYVASQLGHS-LVMLMMRYAKWINSDKNKEEIAKISNSAKIVPNKKGIKLSV 5JJV Chain:B ((56-352)) -----------------------------------------------------------------------------------------------SQLEKVCKKARNAGLLGINTYALPLLK-FHEYFSKARLITERLAFNSLKNIDEVMLAEFLSVYTGGLSLATKKNYRIALLGLFSYIDKQNQDENEKSYIYNITLKNIS----GNKLPTHLNNEELEKFLESIDKIEMSAKVRARNRLLIKIIVFTGMRSNEALQLKIKDFTLENGCYTILI---------KGKGDKYRAVMLKAFHIESLLKEWLIERELYPVKNDLLFCNQ-KGSA-LTQAYLYKQVERIINFAGLRREKNGAHMLRHSFATLLYQKRHDLILVQEALGHASLNTS-RIYTHFDKQR--------------------------

General information: TITO was launched using: RESULT: Template: 5JJV.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 : 898 -4352 -4.85 -16.48 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -4.85 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.411

(partial model without unconserved sides chains): PDB file : Tito_5JJV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JJV-query.scw PDB file : Tito_Scwrl_5JJV.pdb: