Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------MRKKRVITCVMAASLTLGSLLPAGYATAKEDSKTTPSYEELALHYKMKSEKISSNGKLVEIEYVSGNETHKVQMNGNDHTVKVDGIEQKGL-NFEYDENAANRTNYENNNLKS------NEFTTQAAKPKKGYHYVGTLSGHTKAAKNALSVTMSLVGIVPGLGWGSKA------------------------ATILFSYWAKEQIP---DAYYKYDLYEKGAMTDSWYQYATVQFFEDKAHKKK--MGKPWTSTPAKVDLPNS 4TKO Chain:B ((3-349)) HRIEYAITNAVFVKADELSYLSFRVSGKVIEVYKDLGDYVKRGEALAKLDPTYYELEKRTLEKKMSALLEKKKALEIKIQKLEKGLHISLSAKKLKVESLKKKREALREKLLQVEEKIKLVKLDWERYKSLFQKGLIPRRKFEEVDTNLKVLLHEREYLEKSIQEINTEIKRAKKGIENARNEFKTIEELKKELSSLEEEIKSLKERIKTAEQKIKDTVLIAPFDGVVAKRFISRGDVVRAGQPAFALVNPESFYVEVLLEETKLKGVKVGNKAYVRLDAYPDILFEGVVEEISPVQRIPVKIKITKGDLSLLRVGMGGEVEIRRT

General information: TITO was launched using: RESULT: Template: 4TKO.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 : 473 47632 100.70 208.91 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : 100.70 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.61 QMean score : -0.003

(partial model without unconserved sides chains): PDB file : Tito_4TKO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TKO-query.scw PDB file : Tito_Scwrl_4TKO.pdb: