Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKWMCSICCAAVLLAGGAAQAEAVPNEPINWGFKRSVNHQPPDAGKQLNSLIEKYDAFYLGNTKEKTIYLTFDNGYENGYTPKVLDVLKKHRVTGTFFVTGHFVKDQPQLIKR-MSDEGHIIGNHSFHHPDLTTKTADQIQDELDSVNEEVYKITGKQDNLYLRPPRGVFSEYVLKETKRLGYQTVFWSVAFVDWKINNQKGKKYAYDHM-IKQAHPGAIYLLHTVSRDNAEALDDAITDLKKQGYTFKSIDDL-MFEKEMRLPSL 1NY1 Chain:A ((24-257)) -----------------------VPNEPINWGFKRSVNHQPPDAGKQLNSLIEKYDAFYLGNTKEKTIYLTFDNGYENGYTPKVLDVLKKHRVTGTFFVTGHFVKDQPQLIKRMS-DEGHIIGNHSFHHPDLTTKTADQIQDELDSVNEEVYKITGKQDNLYLRPPRGVFSEYVLKETKRLGYQTVFWSVAFVDWKINNQKGKKYAYD-HMIKQAHPGAIYLLHTVSRDNAEALDDAITDLKKQGYTFKSIDDLMFEKE-------

General information: TITO was launched using: RESULT: Template: 1NY1.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 : 1217 -86049 -70.71 -372.50 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -70.71 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.638

(partial model without unconserved sides chains): PDB file : Tito_1NY1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NY1-query.scw PDB file : Tito_Scwrl_1NY1.pdb: