Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAILGFVMMIVFMYLIMSNRLSALIALIVVPIVFALISGFGKDLGEMMIQGVTDLAPTGIMLLFAILYFGIMIDSGLFDP-LIAKILSF-VKG-DPLKIAVGTAVLTMTISLD-GDGTTTYMITIAAMLPLYKRLGMNRLVLAGIAMLGSGVM-NIIPWGGPTARVLASLKLD-----TSEVFTPLIPAMIAGILWVIAVAYILGKKERKRLGVISIDHAPSSDPEAAPLKRPALQWFNLLLTVALMAALITSLLPLPVLFMTAFAVALMVNYPNVKEQQKRISAHAGNALNVVSMVFAAGIFTGILSGTKMVDAMAHSLVSLIPDAMGPHLPLITAIVSMPFTFFMSNDAFYFGVLPIIAEAASAYGIDAAEIGRASLLGQPVHLLSPLVPSTYLLVGMAGVSFGDHQKFTIKWAVGTTIVMTIAALLIGIISF 4R0C Chain:A ((325-477)) ----------------------------------------------TAMEVTMASMAGYLVLMFFAAQFVAWFNYSQLGLLLAVKGAAWLGALTVPKVVLLLLFVVLTALINLMIGSASAKWSILAPVFIPMLMLLGISPEASQAAYRVGDSSTNIITPLMPYFVLVLGFARRYQPETGIGTLIALMLPYSLTLLLGWS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R0C.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 : 375 -47024 -125.40 -328.84 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : -125.40 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.258

(partial model without unconserved sides chains): PDB file : Tito_4R0C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R0C-query.scw PDB file : Tito_Scwrl_4R0C.pdb: