Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKQQILVDIKDDSMSSNETTTGFKPKKSVALSGQVAGNTALCTVGRSGNDLHYRGYDILDLAAGSEFEEVAHLLVHGKLPNKAELKAYKAKLKALRGLPAALKTALEQLPTSAHPMDVMRTGVSVLGCLTPEHEDHNEAGAKDIADKLMASLGSMLLYWYHFSNNGRRIEVETDDDSIAAHFLHLLHGEKPCEEWIQAMHTSLILYAEHEFNASTFTSRVVAGTGSDMYSAITGGIGALRGPKHGGANEVAFVIQQRYDNPDEAEADIRKRIENKEVVIGFGHPVYTVSDPRNEVIKKVAHDLAEAQENTKMYLIAERLEAVMKEVKNMFPNLDWFSAVSYHLMGVPTAMFTPLFVIARTAGWSAHVIEQRQDGKIIRPSANYTGPENLEFKPLAERG 3O8J Chain:G ((41-403)) -----------------------------------PAGNTALCTVGKSGNDLHYRGYDILDLAEHCEFEEVAHLLIHGKLPTRDELNAYKSKLKALRGLPANVRTVLEALPAASHPMDVMRTGVSALGCTLPEKEGHTVSGARDIADKLLASLSSILLYWYHYSHNGERIQPETDDDSIGGHFLHLLHGEKPTQSWEKAMHISLVLYAEHEFNASTFTSRVIAGTGSDVYSAIIGAIGALRGPKHGGANEVSLEIQQRYETPDEAEADIRKRVENKEVVIGFGHPVYTIADPRHQVIKRVAKQLSEEGGSLKMYHIADRLETVMWETKKMFPNLDWFSAVSYNMMGVPTEMFTPLFVIARVTGWAAHIIEQRQDNKIIRPSANYTGPEDRPFVSIDDR-

General information: TITO was launched using: RESULT: Template: 3O8J.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1844 -186654 -101.22 -514.20 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain G : 0.91 3D Compatibility (PKB) : -101.22 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_3O8J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3O8J-query.scw PDB file : Tito_Scwrl_3O8J.pdb: