Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYH--PRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKY--GNYFFPGTGDMYEVGAESGRYYCLNVPLRDGID----DQSYKHLFQPVINQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTVRNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQTIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDNDKESDVEI 3ZNR Chain:A ((189-322)) -------------------------------------------------------------------------------------------------------------------------------------HHADHSTAMGFCFFNSVAIACRQLQQQSKASKILIVDWDVHHGNGTQQTFYQDPSVLYISLHRHDDGN-FFPGSGAVDEVGAGSGEGFNVNVAWAGGLDPPMGDPEYLAAFRIVVMPIAREFSPDLVLVSAGFDA------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZNR.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 : 566 -17145 -30.29 -136.07 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -30.29 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_3ZNR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZNR-query.scw PDB file : Tito_Scwrl_3ZNR.pdb: