Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHGRSRLYRYLKSGRLSAKAGFDRYPDLRVKQLGGSHNVYLVSDHRSHKKCIVKSFAGSGPKSVQHMEKEYKRLRQAGRLV-----DDRRWVHVARPLCKSNGEGFFAEELVSGKALGDYMRDAMANGRDSELYEKLTMLAGFLALLHKKTERPSHVKPSNIRDELKKHARQASKGGAFAPHELKRIESLVDNVT-------SNDLISQTRRGLVHGDANPSNFLYD-----KKRLNVIDMERSGYRDPVYDLGML---AGEL-CHYAMKYGGNEYKADPFIGHLYWTYAGNFKDQLGTFIRLTGRNPIYMANSLLRIARHPFFSPEYKRRLARKAYECLKSLKK 3TDW Chain:A ((15-251)) -----------------------QFPDISIQSVES-----LGEGFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGK---RSDGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLS-EAVEDQVFPLLD----ESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCGELFTRQVMAYRG------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TDW.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 : 858 17036 19.85 78.87 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 19.85 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.193

(partial model without unconserved sides chains): PDB file : Tito_3TDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tdw-query.scw PDB file : Tito_Scwrl_3TDW.pdb: