Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFDNPDRSQNWSKTGKIADSSDLLPRFPELQRQPCQITSLGSAGGLSGGAIWRIECDRRLYALRRWPAETTSARLRYVHSLQRLWRESNLKFIPELYTTAEGESFTENALGFWELAEWMPGAALEGDTI---SPQQRDAVAAAIAAIHQAAAQHESSLEPSPGLRQRLTMLQRWRTMDRTMLQDAIQRLGWPEFAAIAQQMLQSFAYAANTIGDELQAIVSTPLPLHACLRDIHREHIFLTGALVSGVLDFGAVRIESRAGDLARLCGSLFEDDRNRWDDFLARYERLRPLSAAERRAIAVFDRSAVLLTGLQWIEWIALERRQFPDPAAVLSRLDISLRRLQFLLK 3HAM Chain:A ((1-299)) -----------MVNLDAEIYEHLNKQIKINELRYLSSGDDSDTFLCNEQYVVKVP-----------KRDSVRISQKREFELYRFLENCKLS-YQIPAVVYQSDR--------FNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSLFSDALVN--KKDKFLQDKKLLISILEKEQLLTDEMLEHIETIYENILNN----AVLFKYTPCLVHN---DFSANNMIFRNNRLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAPEVAERKAELNDVY--------WSIDQIIYGYERKDREMLIKGVSELLQTQAEMFIF

General information: TITO was launched using: RESULT: Template: 3HAM.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 : 1305 -21480 -16.46 -72.57 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -16.46 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.232

(partial model without unconserved sides chains): PDB file : Tito_3HAM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ham-query.scw PDB file : Tito_Scwrl_3HAM.pdb: