Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQSKQKQSRRLLFRLFLLICIVVGLLIALYPFYVDSLNSFIDQKRIEQVQKRTAAEIEVQRKKMEEKNQRLTDQGFNPGTDPFNEKNRN---ESTTSSQLEEWLIGSINIPKIQLNISLYDRLNGRILENGAGVLQGTSFPLGGNSTHSVISAHSGLPNRRLFTELDRLENGDTFILTVLGEKLAYQVKNIQVVLPDDTSVLTISEGEDLVTLLTCTPYMINTHRLLVTGHRIPYNESVKKEEGKGNQERTMRQWFILAGTIIAVVILLVFIGRLIYQYRLSKKVLDFSFIISDSSGKPVNGSSFILKHKKKTLTRNGVPFSVQSDHHGKVKLDQLPGGTYRIVSADDPKVAVSFGIRKVKQEKIYFFEGRKLVKELQKNGFYFKINE 3RE9 Chain:A ((70-243)) ---------------------------------------------------------------LAQAFNESLNNV---VSEDPYTKSRHEAGRVEYARMLELHEKIGYVEIPKIEVKLPVYAGTSETVLQKGVGHLEGTSLPIGGSDTHTVLTAHTGLPKARLFTDLTKVKIGDTFYIHNIVETLAYEVDQIVVAEPTQFEELLVKPGQDYATLLTCTPYMVNTHRLLVRGHRIPYVAEE-----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RE9.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 : 850 -5412 -6.37 -31.65 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -6.37 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.503

(partial model without unconserved sides chains): PDB file : Tito_3RE9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RE9-query.scw PDB file : Tito_Scwrl_3RE9.pdb: