Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFNHVYFGYDENRP---VLKDITCSIFKGQKIAFVGPSGSGKSTIVRLLEQFYKPLSGDILMEQSSIYDFNLKEWRSKIAWVSQNNAVLSGSIRDNLCLGLNRLVTDDELMKVLDLVSLGDEIRSMKEGLDTEVGERGRLLSGGAKPKTSNS 2IXG Chain:A ((17-162)) VKFQDVSFAYP-NHPNVQVLQGLTFTLYPGKVTALVGPNGSGKSTVAALLQNLYQPTGGKVLLDGEPLVQYDHHYLHTQVAAVGQEPLLFGRSFRENIAYGLTRTPTMEEITAVAMESGAHDFISGFPQGYDTEVGETGNQLAVGQR------

General information: TITO was launched using: RESULT: Template: 2IXG.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 : 461 10342 22.43 72.32 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : 22.43 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_2IXG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IXG-query.scw PDB file : Tito_Scwrl_2IXG.pdb: