Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRYSTILISTFAALSLSLTINQTVHTEEIETAKWTETKWANVNRITFQDEFSSFNSGVAKLRKGQTATIKAKIDYSGDLAPILQSAVTFENVDPALSIGYDENTLTIQHKQAIFTFTVTLNQDLLKPALFTVKVSDGLPNDHHHLTPYSQRQTIEQDSAIDSGGDLVEEP-TDKPENENKPE---VPPTENPDGEQKPEIEPGEEPDTETQPEPDNESKPEITPGEKPDVDPEEKPDVTPEPDTDSGNQTVPETNPDTDNETENPEKPEVAPEEKPDVTPEPDTDSGNQTVPETNPDTDNETENPEKPEVDPEEKPDVTPEPDTDARDQGIPEKINKKTIQEDGKKESKKSNLAILKINEEQLNKKSRIFDSAQSAETLKSSKDTTFASPETKNKQLPKSGESQNKVILWSGIILLSIATMLSAKRFKQNRSL 4Q4D Chain:A ((7-323)) ----QIVVGICSMAKKSKSKPMKEILERISLFKY-------ITVVVF-EEEVILNEPVENWPL-----CDCLISFHSKGFP-LDKAVAYAKLRNPFVINDLNMQYLIQDRREVYSILQA--EGILLPRYAILNRDPNNPKECN---------LIEGEDHVEVNGEVFQKPFVEKPVSAEDHNVYIYYPTSAGGGSQRLFRKIGSRSSVYS-----------------------------PESNVRKTGSYIYEEFMPTDG---------------TDVKVYTVGPDYAHAEARKSPALDGKVER------DSEGKEVRYP-VILNAREKLIAWKVCLAFKQT------------VCGFDLLRANGQSYVCDVN----------GFSFV-------------KNSMKYYDDCAKILGNIVMRELAPQFHIPWS-

General information: TITO was launched using: RESULT: Template: 4Q4D.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 : 1619 48560 29.99 155.14 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 29.99 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.128

(partial model without unconserved sides chains): PDB file : Tito_4Q4D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q4D-query.scw PDB file : Tito_Scwrl_4Q4D.pdb: