Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIEII-------------------ISLGIYFIAMLLIGWYAFKKTTDINDYM-----LGGRGLG--PFVTALSAGAADMSGWMLMGVPG-----------AMFATGLS-----TLW-----LALGLTIGAYSNYLLLAPRLRAYTEAA-------------------DDAITIPDFFDKRFQHSSSLLK--------IVSALIIMIFFTL---------YTSSGMVSGGRLFES--AFGADYKLGLFLTTAVVVLYTLFGGFLAVSLTDFVQGAIMFAALVLVPIVAFTHVGGVAPTFHEIDAVNPH--------LLDIFKGASVISIISYLA-WGLGYYGQPHIIVRFMAIKDIKDLKPARRIGMSWMIITVLGSVLTGLIGVAYAH--KFGVAVKDPEMIFIIFSKILFHPLITGFLLSAILAAIMSSISSQLLVTASAVTEDLYRSFFRRKASDKELVMIG----RLSVLVIAVIAVL------LSLNPNST-----ILDLVGYAWAGFGSAFGPAI----LLSLYWKRMNEW-------------------GALAAMIVGAATVLIWITTGLAKSTGVYEIIPGFIL-------SMIAGIIVSMITKRPAKASYRLF--GVMEKLLKRKK--- 5CA8 Chain:A ((27-687)) DAIQIIDENKHFNTGILDYINKTSPADVGNNYHIISVFGSQSTGKSTLLNRLFNTNFDVMGIWLAYSPVVSTTLGHTTSKSNILVMDVEGTDEDQDFERKAALFALSTSEVLIINIWETQVGLYQGANMGLLKTVFEVNLSLFGKSKLETHNDHKVLLLIVIRDHVGVTPVESLAKTFTLDLQNMWSSLAKPAELEHLQFADFFDVTFHALNHKVLQPKEFGEGINRLGDRLVVSNELFKPEYHHDVPIDGWTMYAERCWEQIETNKDLDLPTQQILVAQFKCDEIVESVFQEFLTKYQHHFKEVDAAPDFEELGALFADLRQDAFEDYDASASRYNKAVYEQKRKKLRWLINDKLKEVFDVHAKNLCNTLLEKFEKDLVALKGKDFAVNVKTLSTKLVEDVNFQVSLMSLQGDLSLDEIILALTKDIDAIVAKQQVVELNSIVNKSVKKLSASLSKSIQFELGDPNEETWDNVLQQFKGVYEKFGGDFGLGTSSTQNQQAIEKFKFKSWCQFYDVTHKLISREKLLALLQDRFDDKFRYDENGLPKLYLNEQDLEKTFAVAKQHALQVLPILT--FAKLADGSEIVPDYDIFDSKLREQFLDHCFAEIITEQEKLEVLAKFKKEVDAKYIETKRSIV

General information: TITO was launched using: RESULT: Template: 5CA8.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 : 1710 -300243 -175.58 -612.74 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -175.58 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.174

(partial model without unconserved sides chains): PDB file : Tito_5CA8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CA8-query.scw PDB file : Tito_Scwrl_5CA8.pdb: