Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDGAMQGSYATALLKQQQLPESFQFYFKQKQHLSNTQELHQLHELVRPRLKIAIVTETWPPEINGVALSLLQLCQGLQKQGHKILLVRPEQKAKCHDFLPEQECLVMSQAIPKYPTLQFGWPQYLKVSKAFEKFVPDVVHI--VTEGPLGLTAMQAAKAKDIPVSSGFHSPFQDFSRFFDLAFLVKPIQKYLCWFHNNTQVTCVPSKDTEEALRGFGITCPLVVVGRGVDTTRFSPKHRSENLRQQWGVDSDTRVMLYVGRLS-PEKEVQLIVESYAAMQNIQQQ--KTKLVVVGDGP-DLARLKALPEAKNVIFTGSLCGHDLAVAYASADVFVFAS-QVETFGNVVLEAMASGLPVIAYDYACAHQYLIHGVNGWLSPLGHKNHFIQQIYQLPSIQQLREMGI-QACHKVQQSGWQLPVQQLEQAFYQVVKELSADFT 2GEJ Chain:A ((35-383)) ---------------------------------------------------------------GGVQSHVLQLAEVLRDAGHEVSVLAP---ASPHVKLPDY-VVSGGKAV-------FGPATHRKVKKWIAEGDFDVLHIHEPNAPSLSMLALQAAEG---PIVATFHT---STTKSLTLSVFQGILRPYHEKIIGRIAVSDLARRWQMEALGSDAVEIP-----NGVDVASFADAPLLD------GYPREGRTVLFLGRYDEPRKGMAVLL---AALPKLVARFPDVEILIVGRGDEDELREQAGDLAGHLRFLGQVDDATKASAMRSADVYCAPHLGGESFGIVLVEAMAAGTAVVASDLDAFRRVLADGDAGRLVPVDDADGMAAALIGILEDDQLRAGYVARASERVHRYDWSVVSAQIMRVYETV---------

General information: TITO was launched using: RESULT: Template: 2GEJ.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 : 1701 -39249 -23.07 -119.30 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -23.07 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_2GEJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GEJ-query.scw PDB file : Tito_Scwrl_2GEJ.pdb: