Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SPGTLAEDADSPARPCKVTI---SMAVSPGGYFRQIYGEGLTTRGGRVAIENFKCT-VDETCNNPSCPDVPPTWQVTSYD--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 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 : 193 900 4.66 11.84 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 4.66 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.451

(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: