Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGMALTGNKAVVYKGKGTVAVEDIGYPELILRDGPGVPKANVNRKCEHGVILKVITTNICGSDQHMVRGRTTAPEGLVLGHEITGEVIETGRDVEFIKKGDIVSVPFNIACGRCVMCKTQKTHVCLNVNPDRPGSAYGYVDMGGWVGGQSEYVMVPYADFQLLVFPDKEQALEKILDLTMLSDIFPTGFHGAYTAGVQTGSTVYIAGAGPVGLAAAHSAQLLGASTVIVGDLNEDRLAQARSFGC-ETVNVQKHDRLGEQIEQIL--GEPTVDAAVDCVGFEASGHGNQGEAPAAVLNSIMDVTQVGGSLGIPGLYVTEDPGAKDADAKTGSLKIRFGLGWAKAHTFVTGQTPAMTYNRNLMKAILSGRAQIAKAVNATVISLDDAPKGYSDFDKGAAKKFVIDPHGTLK 4EJ6 Chain:A ((21-363)) -----QSMMKAVRLESVGNISVRNVGIPEPG----------------PDDLLVKVEACGICGTDRHLLHGEFPSTPPVTLGHEFCGIVVEAGSAVRDIAPGARITGDPNISCGRCPQCQAGRVNLCRNLRA------IGI----HRDGGFAEYVLVPRKQ--AFEIPLT----LDPVHGAFC-EPLACCLHGVDLSGIKAGSTVAILGGGVIGLLTVQLARLAGATTVILSTRQATKRRLAEEVGATATVDPSAG-DVVEAIAGPVGLVPGGVDVVIECAGVA------------ETVKQSTRLAKAGGTVVILGVLPQGE-----------KVEIEPFDILFRELRVLGSFI-NPFVHRRAADLVATGAIEIDRMISRRIS-LDEAPDVISNPAAAGEVKVLVIPS----

General information: TITO was launched using: RESULT: Template: 4EJ6.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 : 2086 -172361 -82.63 -506.94 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -82.63 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_4EJ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EJ6-query.scw PDB file : Tito_Scwrl_4EJ6.pdb: