Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASNRYHSINEIMESQLFYQITTPPKKTQKAQYDPEVEKF---LEIIEFV-KENGREPQKVPTDLTERSLASRLIGIRKDPDRMEYLKEYDEIGLLEVRSKELTIPKISSIDDILKSGLSALLGDNLNNDITRSIFDTSSLQKVTTMPEYVAKRKKIKDFGKFEELFKKCHKEITEGKRKILTFKNEQDIQSNSFYILKGVLLYVEDVGERKKAKGKTNARLRCIFENGTESDMLLRSLSAELYKHGRRVTDNEDTLLDNVREDDVSTGFIYVLKSLSTDPQISSIKNLYKIGFTTGSVENRIRNAENQSTYLYAPVEIVTTYQVFNMNASKFETAIHHALANNNLDVSILGANGKMLVPKEWFVVTLEDLQAVIDEIVMMVHLYD 4UP9 Chain:A ((8-165)) -----------MLSKQLFLNRCKDVEEYQKAGHNPWPHKFNVSITVPEFIAKYSGLEKSQVSDDIV--SVAGRVLSKRSSSSALMFIDLHDSQTKLQI------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4UP9.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 : 148 -3495 -23.61 -43.14 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -23.61 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.148

(partial model without unconserved sides chains): PDB file : Tito_4UP9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UP9-query.scw PDB file : Tito_Scwrl_4UP9.pdb: