Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRTLSMNYLQDARQHVLQQIRTACELAQREPETVQLLAVSKTHPSERLREMYAAGQRAFGENYLQEALDKIDAL-------Q--------DLDIEWHFIGHVQRNKTKHLAEKFDWVHGVDRLIIAERLSNQRGDDQAALNICLQVNIDGQESKDGCAPEDVAELVAQMSQLPKIKLRGLMVIPAPDNT-----GAFADAKKLFDAVKVQHAH--PEDWDTLSMGMSSDLEAAIAAGSTMVRVGTALFGARDYSQKG 3CPG Chain:A ((21-268)) ----RAREITDGVHRVLDRIAAAEEQAGREAGSVRLLAATKTRDIGEIMAAIDAGVRMIGENRPQEVTAKAEGLARRCAERGFSLGVAAAE-HIPFHLIGQLQSNKIGKVLPVVDTIESVDSIDLAEKISRRAVARGITVGVLLEVNESGEESKSGCDPAHAIRIAQKIGTLDGIELQGLMTIGAHVHDETVIRRGFSHLRKTRDLILASGEPGTD-RCRELSMGMTGDMELAIAEGSTIVRVGTAIF---------

General information: TITO was launched using: RESULT: Template: 3CPG.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 : 1030 -11482 -11.15 -52.19 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -11.15 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.616

(partial model without unconserved sides chains): PDB file : Tito_3CPG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CPG-query.scw PDB file : Tito_Scwrl_3CPG.pdb: