Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SSGSVG------STSPERPVSPGSFDEHEGDQRPCKVTI---EMGVSPGGLFRQLYGSDYATRGGTVNINQYQCT-VDVMCKNPSCPGLPARWEVTSF---DKTKQRETHNQPAGGSVWA-VGKKHDL---------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1USH Chain:? ((26-550)) YEQDKTYKITVLHTNDHHGHFWRNEYGEYGLAAQKTLVDGIRKEVAAEGGSVLLLSGGDINTGVPESDLQDAEPDFRGMNLVGYDAMAIGNHEFDNPLTVLRQQEKWAKFPLLSANIYQKSTGERLFKPWALFKRQDLKIAVIGLTTDDTAKIGNPEYFTDIEFRKPADEAKLVIQELQQTEKPDIIIAATHMGHYDNGEHGSNAPGDVEMARALPAGSLAMIVGGHSQDPVCMAAENKKQVDYVPGTPCKPDQQNGIWIVQAHEWGKYVGRADFEFRNGEMKMVNYQLIPVNLKKRVLYTPEIAENQQMISLLSPFQNKGKAQLEVKIGETNGRLEGDRDKVRFVQTNMGRLILAAQMDRTGADFAVMSGGGIRDSIEAGDISYKNVLKVQPFGNVVVYADMTGKEVIDYLTAVAQMKPDSGAYPQFANVSFVAKDGKLNDLKIKGEPVDPAKTYRMATLNFNATGGDGYPRLDNKPGYVNTGFIDAEVLKAYIQKSSPLDVSVYEPKGEVSWQ

General information: TITO was launched using: RESULT: Template: 1USH.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 : 449 41446 92.31 363.56 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 92.31 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.349

(partial model without unconserved sides chains): PDB file : Tito_1USH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1USH-query.scw PDB file : Tito_Scwrl_1USH.pdb: