Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPNKASSARGHYVRLGKNADVIYNEADVIGRGQFGIVYRGLIPASGTVVAVKLLQNVPMVFTPTSEHASQHSRHADRHEGKGSHPAALSSAGPSSSSFAPPSKPRSPGCPSELAILYDVRADNCPNIVHVISTWNKVLKPPRNEASGAAGAAPRLVSSSSSCESRPSRIFVMVTEYCEGGDLQQFMKA--RGGALPAHVARSFTYQLCNALLTLKRRRIVHRDVKPANLLLTSADCEVATLKLADFGMAKAAPAPESHKAGPASASGGKDTGREARNEEDEPADAFSPLFHSEMGTPMYMSPERLALQ-PYGYKADVYSAGMVLLEMMRGSCVQVKWESQLR-SEVPRT--------I---------------WRE--LRQYPPDEVPAWLDLVQRMTAADPAQRYSVEDVLRHSWFHAKVGPPLPPLTFPLPETSEGGAERQPQETRLQAAATPAAGCTGSGSQSTAHAGADSLTAAAVGAPGAGGDEMAPRAPHRHNDPTVGAGGKGTSVPEPSASSSSDDGEAGEGTQQAIKVAAPSNKHRNSRLAEPSKWMVLGVCAEVDAVHNVANGAYTGPPKPALGAQGASPVTTTVSSAVTAEAFSLPPGCGPHIITNAVRSFVDVVYLYVLQDELDAARGLTLVSYLMELMQNGYAAYLKCLEYLGCSWRHTAAMNSCTLGGHRLVVREVNALYGVWRQLMARLHGAQAAYTARLPSRILDSAAAWRQRVLGASATTGDEAAGADEDEGAPAALSVEEPRDVDVSEASTSSEGDMMMSALPSVTSISNVVADTEAAEGARVPLLAAPPAPRIAEKLRV 1J1B Chain:B ((53-344)) --------------------EVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDK------------------------------------------------RFKNRELQIMRKL---DHCNIVRLRYFFYSSG------------------------EKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDT---AVLKLCDFGSAKQLVRGE--------------------------------PNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1J1B.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 : 1170 -62050 -53.03 -235.93 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -53.03 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_1J1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1J1B-query.scw PDB file : Tito_Scwrl_1J1B.pdb: