Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWANQNPVFVYEKEPSRDILCIDCKSFYASVECVEKDLDPLTTKLVVMSYPSDSTETRGSGLILASSPAAKKAYGITNISRARDLPFPYPSDLYIVAPRMAYYMEKNREINSIYKKYADEANHHVYSVDESFLDVTNSMALFGKTNAYDMAKLIHKDVFEQTGIYTTIGIGDNPLLAKLALDNGSKDGKQMFAEWRYEDVPEKLWKISDITDFWGIGKRTAKRLKQMGIHSVYDLAHADYYHLKSKLGVIGTQLYAHAWGIDRSFLGQEYTPKSKSIGNSQILDRDYTRREEIEIVIKEMADQVGTRLRRSA--AKTQVVSLWVGYSLGYLDPNGKTGFHQQMKIEATNASRDLADALLTIFHQHYHYQDIRRVGVNCSDLVYATGLQLNLFEDPEKQINEAKVDFVVDTIRKKYGFQSIIHAHSLLQGGRAIARSSLVGGHAGGMSGLEGGKDETDSKKIH 4IRD Chain:A ((2-342)) ---------------SRKIIHVDMDCFFAAVEMRDN-PALRDIPIAIGGSRER-----R-GVISTANYPARK-FGVRSAMPTGMALALCP-HLTLLPGRFDAYKEASNHIREIFSRYTS--RIEPLSLDEAYLDVTDSVHCHGS--ATLIAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKP---NGQFVITPAEVPAFLQT-LPLAKIPGVGKVSAAKLEAMGLRTCGDVQACDLVMLLKRFGKFGRILWERSQGIDERDVNSE--RLRKSVGVERTMAEDIHHWSECEAIIERLYPELERRLAKVKPDLLIARQGVKLKFDDFQ-------QTTQEHVWP-RLNKADLIATARKTWDERRGGRGVRLVGLHVTLLDP-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IRD.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 : 1601 -163312 -102.01 -481.74 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -102.01 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_4IRD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IRD-query.scw PDB file : Tito_Scwrl_4IRD.pdb: