Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEMFDLEFMRR-AFLAGGMI------------AVMAPIL---------GVYLVLR----RQALMADTL----------------SHISLSGVAIGFFLSTNITAASIVVVTIGAIGIEYMRRAYRTY-----SEVSIAILMAAGLSFAMFLISLSKGTANMSIDQYLFGSLVTVNQQQVYIISIITLLILLYFIVLRRPLYLLTFDEATA-----KTSGINTNVLSLSFSIVTGLAISVIIPIIGVLLVSALLVLPAAFAIRIAKGFNMVFITA---ILISLFSVFT-GLTSSYQLGTPPGPSITLLLIVLLLIGFAVQG------------VWTFIKK-----------EAQRKKRSR-------------- 4CI2 Chain:B ((71-451)) MINFDTSLPTSHMYLGSDMEEFHGRTLHDDDSCQVIPVLPHVMVMLIPGQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVREREAHFGTTAEIYAYREEQEYGIETVKVKAIGRQRFKVLEIRTQSDGIQQAKVQILPERVLPSTMSAVQLQSLSRRHI--RAFRQWWQKYQKRKFHCASLTSWPPWLYSLYDAETLMERVKRQLHEWDENLKDESLPTNPIDFSYRVAACLPIDDALRIQLLKIGSAIQRLRCELDI-MNKCTSLCCKQCQDTEITTKNEIFSLSLCGPMAAYVNPHGYIHETLTVYKACNLNLSGRPSTEHSWFPGYAWTIAQCRICGNHMGWKFTATKKDMSPQKFWGLTRSALLPR

General information: TITO was launched using: RESULT: Template: 4CI2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1052 -147246 -139.97 -531.57 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -139.97 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.122

(partial model without unconserved sides chains): PDB file : Tito_4CI2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CI2-query.scw PDB file : Tito_Scwrl_4CI2.pdb: