Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSCVSSQPSSNRAAPQDELGGRGSSSSESQKPCEALRGLSSLSIHLGMESFIVVTECEPGCAVDLGLARDRPLEADGQEVPLDTSGSQARPHLSGRKLSLQERSQGGLAAGGSLDMNGRCICPSLPYSPVSSPQSSPRLPRRPTVESHHVSITGMQDCVQLNQYTLKDE-----IGKGSYGVVKLAYNENDNTYYAMKVLSKKKLIRQAGFPRRPPPRGTRPAPGGCIQPRGPIEQVYQEIAILKKLDHPNVVKLVEVLDDPNEDHLYMVFELVNQGPVM-EVPTLKPLSEDQARFYFQDLIKGIEYLHYQKIIHRDIKPSNLLVGEDGHIKIADFGVSNEFKGSDALLSNTVGTPAFMAPESLSETRKIFSGKALDVWAMGVTLYCFVFGQCPFMDERIMCLHSKIKSQALEFPDQPDIAEDLKDLITRMLDKNPESRIVVPEIKLHPWVTRHGAEPLPSEDENCTLVEVTEEEVENSVKHIPSLATVILVKTMIRKRSFGNPFEGSRREERSLSAPGNLLTKKPTRECESLSELKEARQRRQPPGHRPAPRGGGGSALVRGSPCVESCWAPAPGSPARMHPLRPEEAMEPE |
3COH Chain:B ((5-265)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------WALEDFEIGRPLGKGKFGNVYLAREKNSKFILALKVLFKAQL-----------------------EKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDSTR--VYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKKVIHRDIKPENLLLGSAGELKIAD----------------LCGTLDYLPPEMI-EGR--MHDEKVDLWSLGVLCYEFLVGKPPFEANTYQDTYKRISRVEFTFPD--FVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSS----------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3COH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -153399 for 1862 contacts (-82.4/contact) +
2D Compatibility (PS) -25654 + (NN) -14779 + (LL) 13064
1D Compatibility (HY) -23600 + (ID) 4350
Total energy: -208718.0 ( -112.09 by residue)
QMean score : 0.405
|
|
|