Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKTDTLPKATAKRLPLYLRYLKMLDDSGISRIKSNEFSEITQIPSATIRRDFSQLGELGRSGYGYDVPFLIDVFNNILNTKEEKRIALVGYGNLGKALKHNNFRRNENLNIVCVFDNDP-ALINRVI-DGEMIYPIDRFAEIAKAKNVTVAISTVPSKYSQSAIDEIVKGNVTAILNFAPDRVTVPAYVNVQYIDLTTELQTLIYFDENYSEVFS 3KEQ Chain:B ((6-207)) ------SIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGELGRRGFGYDVKKLMNFFAEILNDHSTTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTINDHL--SDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYF---------

General information: TITO was launched using: RESULT: Template: 3KEQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 838 -73757 -88.01 -372.51 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -88.01 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_3KEQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KEQ-query.scw PDB file : Tito_Scwrl_3KEQ.pdb: