Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRFFPQKNKYIQEKSEFQFNTDGPIPQHIAIIMDGNGRWAQNRRLPRVAGHKEGMETVKKVTKKASRLGVKVLTLYAFSTENWKRPKDEVSFLMQLPVDFFDTFVPELIKENVKVHVMGYENVLPEHTQDAVRRAIEQTKNNTGMVLNFALNYGSRAEIVTAVQEIAEEVAKGEIHAEEIDDELIAKHLMTGFLPKELQDPELMIRTSGEERISNFLLWQIAYSELYFTKALWPDFDGAHLEEAIASYQNRDRRFGGVKKTEDEKGDQS 2VG3 Chain:C ((42-284)) ------------TSKAAAPRIPADRLPNHVAIVMDGNGRWATQRGLARTEGHKMGEAVVIDIACGAIELGIKWLSLYAFSTENWKRSPEEVRFLMGFNRDVVRRRRDTLKKLGVRIRWVGSRPRLWRSVINELAVAEEMTKSNDVITINYCVNYGGRTEITEATREIAREVAAGRLNPERITESTIARHLQRPDI----PDVDLFLRTSGEQRSSNFMLWQAAYAEYIFQDKLWPDYDRRDLWAACEEYASRTRRFGSA-----------

General information: TITO was launched using: RESULT: Template: 2VG3.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 : 1160 -124441 -107.28 -512.10 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain C : 0.79 3D Compatibility (PKB) : -107.28 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_2VG3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VG3-query.scw PDB file : Tito_Scwrl_2VG3.pdb: