Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAQKENAYPWPYGSKTSQSGLNTLSQRVLRKEPATTSALALVNRFNSQSTAAPGQKLAENKSQGSTASQGSQNKQPFTIDNFEIGRPLGKGKFGNVYLAREKKSRFIVALKILFKSQIEKEGVEHQLRREIEIQAHLKHPNILQLYNYFYDQQRIYLILEYAPRGELYKELQKSRTFDEQRTATIMEELSDALTYCHKKKVIHRDIKPENLLLGLQGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEMVDLWCIGVLCYELMVGNPPFESPSHSETYRRIVKVDLKFPSSVPSGAQDLISKLLKHNPWQRLPLAEVAAHPWVRANSRRVLPPSAL |
3W2C Chain:A ((1-260)) | ----------------------------------------------------------------------------WALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQ------------EVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYC---------IKPENLLLGSAGELKIAD-----------------TLDYLPPEMIE-------VDLWSLGVLCYEFLVGKPPFEANTYQ--YKRISRVEFTFPDFVTEGARDLISRLLKHNP-----------HPWITANS--------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3W2C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -134615 for 1458 contacts (-92.3/contact) +
2D Compatibility (PS) -21392 + (NN) -9308 + (LL) 8644
1D Compatibility (HY) -28800 + (ID) 7200
Total energy: -192671.0 ( -132.15 by residue)
QMean score : 0.290
|
|
|