Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDALCLQFFYEKGVIMSILTLNNITQQFGDKILYEGVDLQLNAGEHLGLIGQNGAGKSTLIKIITGEILPD--DGQIHWQKNIHKGY----LDQYVEVDETLTIEEFLKTAYAKEYEKEEKIAFLYQTYSETFDDSLLEKA--GKLQTELDQGVFYQIDTLVAEMSSGLGIDVLGLDSLLKNLSGGQRSKVILAKLLLENPDVLILDEPTNHLDDQH---IQWLTQFLQDFDGAYIVISHDQEFLDQITTHIADIEFGKITKYTGHLKQALKQKEQNR--ESYLRQYHAQQKQIEKTEAYIRKYKAGSRSTMAKSRQKQLDKIERLTPPASASKAVFDFPFSPIVTTLAVETTDLVIGYDRPLLAPINLTIRFGENIAIRGFNGIGKSTLLKTLIGEIEKISGDFHFPDNTKINYFSQDLYWENPLETPLQYLSSQFPKATIKE--LRRQLAKAGLVNQLASEPLTTLSGGEQTKVKLAQLTMNQGNLLILDEPTNHIDQETKESLQDGI----QKFPGTVIIVSHEQEFYQDLVQRVIEIEPK 3J15 Chain:B ((103-532)) -------------------------------------------GMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDSWD-NVIRAFRGNELQNYFERLKNGEIRPVVKPQYV----------------------DLLPKAVKGKVRELLKK--VDEVGKFEEVVKELELENVL--DRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSD-VIHVVYGEPGVYGIFSKPKGTRNGINEFLQGYLKDENVRFRPYE-----IRFTKLSERVD-----------VERET---------------------LVEYPRLVKDYGSFKLEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEW--DLTVAYKPQ--YIKAEYEGTVYELLSKIDSSKLNSNFYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFE--

General information: TITO was launched using: RESULT: Template: 3J15.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 : 1916 67937 35.46 165.30 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 35.46 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.303

(partial model without unconserved sides chains): PDB file : Tito_3J15.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J15-query.scw PDB file : Tito_Scwrl_3J15.pdb: