Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKEIKRRNRMKNKRLIGIIAALAVLVAGSLIYSSMNKSEAQNNKDEKKITKIGVLQFV-SHPSLDLIYKGIQDGLAEEGYKDDQVKIDFMNSEGDQSKVATMSKQLVANGNDLVVGIATPAAQGLASA--TKDLPVIMAAITDPIGANLVKDLKKPGGNVTGVSDHNPAQQQVELIKALTPNVKTIGALYSSS-EDNSKTQVEEFKAYAEKAGLTVETF--A--VPSTNEIASTVTVMT-SKVDAIWVPIDNTIASGFPTVVSSNQS--SKKPIYPSATAMVE---VGGLASVVIDQHDLGVATGKMIVQVLKGAKPADTPVNVFSIGKSVINKKIAQELGITIPESVLKEAGQVIE 2O20 Chain:B ((60-314)) ----------------------------------------------SKRTTTVGVILPTITSTYFAAITRGVDDIASMYKY-----NMILANSDNDVEKEEKVLETFLSKQVDGIVYMGSSLDEKIRTSLKNSRTPVVLVGTIDGDK----------EIPSVNIDYHLAAYQSTKKLIDS--GNKKIAYIMGSLKDVENTERMVGYQEALLEANIEFDENLVFEGNYSYEQGKALAERLLERGATSAVVSHDTVAVGLLSAMMDKGVKVPEDFEIISGANSPITQYTYPTLTSVNQPLYDLGAVAMRLLTKLMLKEDV----------------------------------------

General information: TITO was launched using: RESULT: Template: 2O20.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 : 1242 17444 14.05 72.38 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : 14.05 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_2O20.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O20-query.scw PDB file : Tito_Scwrl_2O20.pdb: