Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MRKKRVITCVMAASLTLGSLLPAGYASAKED------------SKTTPSYEELALHYKMKSEKISSNGKL-----------VEIEYVSGNETHK----------VQMNGNNHTVKVDGIEQKGLNFEY--------DENVAKRTNYENNNLKSNEFTTQAAKPKK---------------GYHYVGTLSGHTKAAKNALSVTMSL-----VGIVPG---LGWGSKA-----ATILFSYWAKEQIPDAYYKY-DLYEKGAMTDSWYQYATVQFFEDKAHKKKMGKPWTSTPAKVDLPNS-------------------------------------- 4AG4 Chain:A ((5-344)) KCRYALGMQDRTIPDSDISASSSWSDSTAARHSRLESSDGDGAWCPAGSVFPKEEEYLQVDLQRLHLVALVGTQGRHAGGLGKEFSRSYRLRYSRDGRRWMGWKDRWGQEVISGNEDPEGVVLKDLGPPMVARLVRFYPRADRVMSVCLRVELYGCLWRDGLLSYTAPVGQTMYLSEAVYLNDSTYDGHTVGGLQYGGLGQLADGVVGLDDFRKSQELRVWPGYDYVGWSNHSFSSGYVEMEFEFDRLRAFQAMQVHCNNMHTLGARL---PGGVECRFRRGPAMAWEGEPMRHNLGGNLGDPRARAVSVPLGGRVARFLQCRFLFAGPWLLFSEISFISDAA

General information: TITO was launched using: RESULT: Template: 4AG4.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 : 850 -25507 -30.01 -113.36 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -30.01 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.59 QMean score : -0.048

(partial model without unconserved sides chains): PDB file : Tito_4AG4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AG4-query.scw PDB file : Tito_Scwrl_4AG4.pdb: