Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAYTVEQGIVAPLDRANVDTDLIIPKQFLKSIKRTGFGDNLFDELRYLDEGYPGQDNSVRPKNPDFVLNQPRYQGATVLIARTNFGCGSSREHAPWALNEYGFRTVIAPSFADIFFNNCFKNGMLPVILPEDIVDQLFKECAAQEGYQLTIDLAAQEVRTP-TGEAFKF-EVDPFRKHCLLNGLDDIGLTLQNADAIRAYEEKTKQVRPWVFQEIN 2PKP Chain:A ((2-151)) -----IIKGRAHKF-GDDVDTDAIIPGPYLRTTDPYELASHCMAGID-----------------ENFPKK---VKEGDVIVAGENFGCGSSREQAVIAIKYCGIKAVIAKSFARIFYRNAINVGLIPIIANTDE-------IK--DGDIVEIDLDKEEIVITNKNKTIKCETPKGLEREILAAGG--------------------------------

General information: TITO was launched using: RESULT: Template: 2PKP.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 : 812 -109090 -134.35 -737.09 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -134.35 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_2PKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PKP-query.scw PDB file : Tito_Scwrl_2PKP.pdb: