Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSMDQSIAVKSPLTYAEALANTIMNTYTVEELPPANRWHYHQGVFLCGVLRLWEATGEKRYFEYAKAYADLLIDDNGNLL-FRRDE--LDAIQAGLILFPLYEQTKDERYVKAAKRLRSLYGTLNRTSEGGFWHKDGYPYQMWLDGLYMGGPFALKYANLKQETELFDQVVLQESLMRKHTKDAKTGLFYHAWDEAKKMPWANEETGCSPEFWARSIGWYVMSLADMIEELPKKHPNRHVWKNTLQDMIKSICRYQDKETGLWYQIVDKGDRSDNWLESSGSCLYMYAIAKGINKGYLDRAYETTLLKAYQGLIQHKTETSEDGAFLVKDICVGTSAGFYD-------YYVSRERSTNDLHGAGAFILAMTELEPLFRSAGK 4WU0 Chain:A ((4-361)) ---------------YSKLMADSII----AKNITLTDHWGYEYGLTLDGIAKVYEWTKDKKYLDFIIKTMDTFINEDGTINGYKLEEYNIDHLNNGKILITLFKETGKEKYRKALINLRKQIDNHPRTKENVFWHKNIYPHQIWLDGLYMGATFYAKYVKEFGEEKEFDDITHQFIITEKNLKDNKTGLLYHAYDESKTEPWSNSETGLSPHFWGRAMGWYVMALADTIEVLPKNHKDRNALIKILNNCVTALLKVQDNASKVWYQVLDEGERKGNYLEASGSSMIVYALLKGVRLGYLPESLKETAKEAYKGLINEFILETKDGLINLNKICYVAGLGGKDKRDGSFAYYISEPIVSNEPKGLGPFLLASYEYETL------

General information: TITO was launched using: RESULT: Template: 4WU0.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 : 1979 -25618 -12.94 -73.61 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -12.94 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.693

(partial model without unconserved sides chains): PDB file : Tito_4WU0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WU0-query.scw PDB file : Tito_Scwrl_4WU0.pdb: