Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSCVSSQPSSNRAAPQDELGGRGSSSSESQKPCEALRGLSSLSIHLGMESFIVVTECEPGCAVDLGLARDRPLEADGQEVPLDTSGSQARPHLSGRKLSLQERSQGGLAAGGSLDMNGRCICPSLPYSPVSSPQSSPRLPRRPTVESHHVSITGMQDCVQLNQYTLKDEIGKGSYGVVKLAYNENDNTYYAMKVLSKKKLIRQAGFPRRPPPRGTRPAPGGCIQPRGPIEQVYQEIAILKKLDHPNVVKLVEVLDDPNEDHLYMVFELVNQGPVM-EVPTLKPLSEDQARFYFQDLIKGIEYLHYQKIIHRDIKPSNLLVG---EDGHIKIADFGVSNEFKGSDALLSNTVGTPAFMAPESLSETRKIFSGKALDVWAMGVTLYCFVFGQCPFMDERIMCLHSKIKS--QALEFPDQPDIAEDLKDLITRMLDKNPESRIVVPEIKLHPWVTRHGAEPLPSEDENCTLVEVTEEEVENSVKHIPSLATVILVKTMIRKRSFGNPFEGSRREERSLSAPGNLLTKKPTRECESLSELKEARQRRQPPGHRPAPRGGGGSALVRGSPCVESCWAPAPGSPARMHPLRPEEAMEPE |
3MWU Chain:A ((30-287)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------LGKGSFGEVLKCKDRITQQEYAVKVINKAS------------------------AKNKDTSTILREVELLKKLDHPNIMKLFEILEDSSS--FYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQ-QN----DRIGTAYYIAPEVL---RGTYDEKC-DVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKYSSET--------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3MWU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -121818 for 1924 contacts (-63.3/contact) +
2D Compatibility (PS) -26491 + (NN) -17845 + (LL) 13612
1D Compatibility (HY) -22800 + (ID) 4550
Total energy: -179892.0 ( -93.50 by residue)
QMean score : 0.476
|
|
|