Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLYATQDEKKQAAAKAAL-KHLPKGGILGVGTGSTVNFLIDLLPEL------QLEAAVASSQATADRLKKLGIEVVDMNHV-VSLDAYVDGADEIDR-HMHMIKGGGAALTREKIVASIAKKFVCIVDDSKWVDQ-LGRD-FPLPVEVIPMARSAVARKLVSL------GGDPVYRE-------------GVVTDNGNVILDVFNLN-ILNAIDLEKTINNIPGVVTNGIFALNPATIAIVATNDGIEERTAQ 4NML Chain:A ((2-250)) ----NPQDKAKQAVGYFAVDTYVRSGMKVGLGTGTTAKFVVERIGQRMQEGSLKDLLCVPTSEATRKQAESLGIPLTTLDGIADCLDVAIDGADEILPPTLGLVKGRGGALLREKMIAAAAKTFIVAADETKLVSNGIG-STGALPVEVVVFSGSHTKRLLSALPSVKRHGGRAEFRKRAGAAQEDIREEDRFVTDNGNYIVDLYFTETVPDLHEMDKELKSIPGVVETGFFLD-LASVCLIGKADGS------

General information: TITO was launched using: RESULT: Template: 4NML.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 : 1088 -5573 -5.12 -26.41 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -5.12 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_4NML.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NML-query.scw PDB file : Tito_Scwrl_4NML.pdb: