Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGMALTGNKAVVYKGKGT-VAVEDIGYPELILRDGPGVPKANVNRKCEHGVILKVITTNICGSDQHMVRGRTTAPEGLVLGHEITGEVIETGRDVEFIKKGDIVSVPFNIACGRCVMCKTQKTHVCLNVNPDRP-------------------GSAYGYVDMGGWVGGQSEYVMVPYADFQLLVFPDKEQALEKILDLTMLSDIFPTGFHGAYT-AGVQTGSTVYIAGAGPVGLAAAHSAQLLGASTVIVGDLNEDRLAQARSFGC-ETVNVQKHD-RLGEQIEQILGEPTVDAAVDCVGFEASGHGNQGEAPAAVLNSIMDVTQVG-GSLGIPGLYVTEDPGAKDADAKTGSLKIRFGLGWAKAHTFVTG-Q--TPAMTYNRNLMKAILSGRAQIAKAVNATVISLDDAPKGYSDFDKGAAKKFVIDPHGTLK 1E3I Chain:A ((4-367)) ---GKVIKCKAAIAWKTGSPLCIEEIEVSPPK----------------ACEVRIQVIATCVCPTDINATDPKKKALFPVVLGHECAGIVESVGPGVTNFKPGDKVIPFFAPQCKRCKLCLSPLTNLCGKLRNFKYPTIDQELMEDRTSRFTCKGRSIYHF----MGVSSFSQYTVVSEAN--LARVDDE----ANLERVCLIGCGFSSGYGAAINTAKVTPGSTCAVFGLGCVGLSAIIGCKIAGASRIIAIDINGEKFPKAKALGATDCLNPRELDKPVQDVITELTA-GGVDYSLDCAGTA------------QTLKAAVDCTVLGWGSCTVVGAKVDE-------------MTIPTVDVI-LGRSINGTFFGGWKSVDSVPNLVSDYKNKKFDLDLLVTHALP-FESINDAIDLMKEG--------------

General information: TITO was launched using: RESULT: Template: 1E3I.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 : 2141 -85212 -39.80 -252.85 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -39.80 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_1E3I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1E3I-query.scw PDB file : Tito_Scwrl_1E3I.pdb: