Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MIQRI-SHHDLEHVYATAVNT-----------IQSQMNFQDAVAQLEEVARAGHG--KAALFLAELYYQGFRVERDSMKA----QYWQKLATMQA---- 5KS5 Chain:A ((1-103)) GSHMSPDRCQDWLEALHWYNTALEMTDCDEGGEYDGMQDEPRYMMLAREAEMLFTGGYGLEKDPQRSGDLYTQAAEAAMEAMKGRLANQYYQKAEEAWAQMEE

General information: TITO was launched using: RESULT: Template: 5KS5.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 : 152 11068 72.81 143.73 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 72.81 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_5KS5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KS5-query.scw PDB file : Tito_Scwrl_5KS5.pdb: