Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVVAWHRPTKAVIHKKAITENVANEVARLPQGKELFAVVKANGYGHGAIETAEAAVAGGASGFCVSNLDEGVELREAGFTQPILILNMVPYDALTVAVAHDLSVTAGTREWLQAAAAVLEKSKLETPLSIHLKADTGMGRIGFCTPEEVKEAAAFIKESRVLEWEGLFTHFSTADQADDTYWNLQKERFIEVLKKLPELPRYVHVSNSATALWHDETIGNMIRYGVAMYGLNPSGHALPEVYPLQPALELVSELIQVKKLPAGEGIGYGETYITPEAEWIGTIPIGYADGWPRKMQGFSLLVEGNYCETIGRVCMDQLMIRLPQEFPVGTKVTLIGKNADKEITMQDIADQLGTIHYEVACGLGQRIPREYQE 3E5P Chain:C ((1-371)) MVVGWHRPTRLHIDTQAITENVQKECQRLPEGTALFAVVKANGYGHGAVESAKAAKKGGATGFCVALLDEAIELREAGVQDPILILSVVDLAYVPLLIQYDLSVTVATQEWLEAALQQLTPES-NTPLRVHLKVDTGMGRIGFLTPEETKQAVRFVQSHKEFLWEGIFTHFSTADEIDTSYFEKQAGRFKAVLAVLEELPRYVHVSNSATALWHPDVPGNMIRYGVAMYGLNPSGNKLAPSYALKPALRLTSELIHVKRLAAGEGIGYGETYVTEAEEWIGTVPIGYADGWLRHLQGFTVLVNGKRCEIVGRVCMDQCMIRLAEEVPVGPVVTLVGKDGNEENTLQMVAEKLETIHYEVACTFSQRIPREYN-

General information: TITO was launched using: RESULT: Template: 3E5P.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2122 -243247 -114.63 -655.65 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.89 3D Compatibility (PKB) : -114.63 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_3E5P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3E5P-query.scw PDB file : Tito_Scwrl_3E5P.pdb: