Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -QIGKWVLSKEQIDALFFYQCQVTIHYPGAERGKLLKY--LAEPR-----------EPIPLPK-------FQGKLYYAISDSGCKYREYSKGDPWPKGL 1KSI Chain:A ((1-91)) VQHPLDPLTKEEFLAV---QTIVQNKYPISNNRLAFHYIGLDDPEKDHVLRYETHPTLVSIPRKIFVVAIINSQTHEILINLRIRSIVSDNIH---NGY

General information: TITO was launched using: RESULT: Template: 1KSI.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 : 174 10790 62.01 154.14 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 62.01 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.179

(partial model without unconserved sides chains): PDB file : Tito_1KSI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ksi-query.scw PDB file : Tito_Scwrl_1KSI.pdb: