Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------MGKSKMTNSNYKLTKEDFNQINKRRLFTFQLGWNYERMQASGYLYMILPQLRKMYGDGTPELKEMMKVHTQFFNTSPFFHTIIAGFDLAMEEKDGVGSKDAVNGIKTGLMGPFAPLGDTIFGSLVPAIMGSVAATMAIAGQPWGIFLWIAVAVAYDIFRWKQL-----EFAYKEGVNL--INNMQSTLTALIDAASVLGVF---MMGALVATVINFEISYKLPIGEKMIDFQDILNQIFPRL----LPAIFTAFIFWLLGKKG---MNSTKAIGIIIVLALALSALGHFALGM 4XGC Chain:A ((38-388)) PCREREFENIYAFLEGKIQDQCMYVSGVPGTGKTATVTGVIRTLQEYLEINGMRLTEPRQAYVQIYKQLTGKTVSWEQAHALLEKRTTVLLVDELDILCNRRQDVVYNLLDWPTKLVVVTIANTMDLPERLGLTRLTFQPYSHKQLQEIVTARLGKGEAVQLVARKVAAVSGDARRALDICRRATEIADTAAVKCVTMLHVQQALAEMIASAKVQAIRNCSRMEQIFLQAIAAEVTRTGVEETTFMGVYQQVETIAAFMGVTFPPPGRALRLCSKLGAERLIISEHSRNDLFQKILLNVSADDIHYALRV

General information: TITO was launched using: RESULT: Template: 4XGC.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 : 1129 -33827 -29.96 -122.56 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -29.96 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.147

(partial model without unconserved sides chains): PDB file : Tito_4XGC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGC-query.scw PDB file : Tito_Scwrl_4XGC.pdb: