Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTDWWKDAVVYQIYPRSFQDSNGDGIGDLRGIISRLDYIKELGADVIWICPIYPSPNVDYGYDVTNHKAIMDSYGTMDDFHELLDQVHQRGLKLVMDFVLNHTSVEHPWFKEAELDKNSKYRSYYYWRPGTK-NGPPTDWLSNYGCPVWQYEEHTGEYYLHMNAVKQADLNWENPEVRQAVYDMMKFWLDKGVDGLRIDQLHLISKKEYLPSYEDYINQQAEPKPFQPNGERIHDYLKEITDEVFSHYDVMSVGEVGSVTPEEGLKYTGTDKHELNMIFHFQHMELDQQPGKEHWDLKPLELSDLKSVLTKWQKKL-EHQGWNTLFWCNHDQPRIVSRFGDDGEYRKASAKMLAAVIYFMKGTPYIYQGEEIGMTNAPFTRIEDYKDIQTINMYHKRVFEKGYDPNDVMRSILAKSRDHARTPMQWNSGKNAGFTDGTPWLKVNPNFTAINVEEAQGDPDSVLNYYKKLISLRKQYADL-MKGSFDLLLPDDPQLFVYMRENSKQQLLSVNNFSKEQAVFQWPKNCG--KAQASLLLSNYNN-DDLDDEMVFRPYESRVYLLDKTN 5BRQ Chain:A ((12-566)) --NPWWKKAVVYQIYPKSFKDTTGNGVGDIRGIIEKLDYIKELACDVIWLTPIYQSPQNDNGYDISDYYSIHEEYGTMADFEELLEEAHKRGIKVIMDLVVNHTSTEHRWFKEAASGKENLYRDFYIWKDMKPNGAPPTNWESKFGGSAWEFHAESGQYYLHLYDVTQADLNWENEAVRKKVYEMMHFWFEKGIDGFRLDVINVISKDQRFPDDDE-----GDGRRFYTDGPRVHEFLNEMNREVFSKYDSMTVGEMSSTTIADCIRYTNPESRELDMVFNFHHLKADYPN-GEKWALADFDFLKLKKILSEWQTEMNKGGGWNALFWCNHDQPRIVSRYGDDGKYRKKSAKMLATAIHMLQGTPYIYQGEELGMTNPKFDDISLYRDVESLNMYRIL-KEAGKPEAEIIEILKAKSRDNSRTPVQWNGEENAGFTAGTPWIPVPDNYKEINAEEALNDPDSIFYHYKKLNELRKEF-DIITTGDYQLILEDDQELYAYLRNGADEKLLVINNFYGKETEFQLPDDIDIEGYDAKVLISNDTDLPESFKRFTVKPYQSIVYHLAK--

General information: TITO was launched using: RESULT: Template: 5BRQ.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 : 3161 -199619 -63.15 -363.60 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -63.15 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.502

(partial model without unconserved sides chains): PDB file : Tito_5BRQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BRQ-query.scw PDB file : Tito_Scwrl_5BRQ.pdb: