Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQNETRTLQLDPHLHIEAYRFKGIMQKFPNHFHDYYVIGFIEKGQRYLACQD--QEYIINPGDLLLFNPRDTHSCEQIDG--RTLDYRCINVMPDIMEKAVKEITGSGHLPYFS-QHV---LFRHELTASLQELHILISEE-KQALRKEELFLHLLEELIRHYSDVTFLSSVPEPSDEVKMVCEFLEEHYAENVTLNDLSELTGWSKYHLLRSFTKQKGITPNSYMETIRINQAKKLLEQG-VRPIDAAFQTGFSDQSHMTKFFKRQVGLTPKQYMKIFEKELHR 3GBG Chain:A ((20-273)) -------------------------YIFNNLYINDYKMFWIDSGIAKLIDKNCLVSYEINSSSIILLKKNSIQRFSLTSLSDENINVSVITISDSFIRSLKSYILG--------NKDLLLWNCEHNDIAVLSEVVNGFREINYSDEFLKVFFSGFFSKVEKKYNSI----FITDDLDAMEKISCLVKSDITRNWRWADICGELRTNRMILKKELE-SRGVKFRELINSIRISYSISLMKTGEFKIKQIAYQSGFASVSYFSTVFKSTMNVAPSEYLFMLTGV---

General information: TITO was launched using: RESULT: Template: 3GBG.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 : 993 -105312 -106.05 -450.05 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -106.05 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3GBG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GBG-query.scw PDB file : Tito_Scwrl_3GBG.pdb: