Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEGASDKLLREPFRANFKRERSSSYSTERGSPTSPHLRRLRPLPTSSSEGKGAADGDGEEDPHTRRQAEPELFELTPHGGTANTNVRATRFGVEGLRIGRDPSCCDLVLPSNSVSRLHCVLSVLGDDVFVHDNSFNGTFINGRRVGRGRCSVLHPRDTLSFLNPTLEEASRCGFEFAPLPGHSSSAFTAVEGLR-RYELGPVLGQGSLAAVRLGIDRETGAPVAIKLIERGRF---SCEEAAASLHTEIEMMRSMDHPHVVRVVDAFEGSGCVALVMEYVRGGDLFDYIVGRGRNPFTEAEARHLFGQLLEAILYIHGRSIIHCDLKPENVLVDVVRRGSDGEVDTTSASATATTQGVASSALQTDGDAALSVVDDHQAEAKTVSPYDVRLKLADFGSAKYEGGGAGGGMLETTGAATPVYAAPELACFPADGAPPHEITAVVDVWSLGVLLYILCSGTVP------KPPRADAVVA--FN---RSMTHLSVLCKDLIARMMTVDPSQRPSLADVCHHPWLDGLTISGAPDRGALGSKDVLSVTAKLSPSFPEAAKPL 3I6U Chain:A ((159-486)) --------------------------------------------------------------------------------------------------------------------------------YIEDHSGNGTFVNTELVGKGKRRPLNNNSEIA-----LSLSRNKVFVFFDLTVDDQSVYP--KALRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIRIISKRKFAIG------LNVETEIEILKKLNHPCIIKIKNFFDAED-YYIVLELMEGGELFDKVVGNKR--LKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLL------------------------------------------SSQEE-------DCLIKITDFGHSKILG---------------PTYLAPEVLV----AG----YNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWL-------------------------------------

General information: TITO was launched using: RESULT: Template: 3I6U.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 : 1280 -47192 -36.87 -162.73 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -36.87 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_3I6U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I6U-query.scw PDB file : Tito_Scwrl_3I6U.pdb: