Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLISWNIDSLNAALTSDSARAKLSQEVLQTLVAENADIIAIQETKLSAKGPTKKHVEILEELFPGYENTWRSSQEPARKGYAGTMFLYKKELTPTISFPEIGAPSTMDLEGRIITLEFDAFFVTQVYTPNAGDGLKRLEERQVWDAKYAEYLAELDKEKPVLATGDYNVAHNEIDLANPASNRRSPGFTDEERAGFTNLLATGFTDTFRHVHGDVPERYTWWAQRSKTSKINNTGWRIDYWLTSNRIADKVTKSDMIDSGARQDHTPIVLEIDL 5CFE Chain:A ((1-252)) MKLISWNVNGLRAVM--------RKMDFLSYLKEEDADIICLQETKIQDGQVD-----LQ---PEDYHVYWNYA---VKKGYSGTAVFSKQEP-LQVIYG-IGV-EEHDQEGRVITLEFENVFVMTVYTPNSRRGLERIDYRMQWEEALLSYILELDQKKPVILCGDLNVAHQEIDLKNPKANRNNAGFSDQEREAFTRFLEAGFVDSFRHVYPDLEGAYSWWSYRAGA-RDRNIGWRIDYFVVSESLKEQIEDASISADVMGSDHCPVELIINI

General information: TITO was launched using: RESULT: Template: 5CFE.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 : 1430 -133720 -93.51 -530.63 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -93.51 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_5CFE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CFE-query.scw PDB file : Tito_Scwrl_5CFE.pdb: