Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPSSMSGYIPSYLDKDELCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPSYSCKYEGKCVIDKVTRNQCQECRFKKCIAVGMATDLVLDDNKRLAKRKLIEENREKRRKDEIQKSLVQKPEPTQEEWELIQVVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEAFSQFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGVSLSSFSLDDTEVALLQAVLLMSSDRPGLASVERIEKCQEGFLLAFEHYINYRKHNIAHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED |
2PIN Chain:B ((3-252)) | --------------------------------------------------------------------------------------------------------------------------KPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFRLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFE- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2PIN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -170441 for 2014 contacts (-84.6/contact) +
2D Compatibility (PS) -26877 + (NN) -22274 + (LL) 7804
1D Compatibility (HY) -37600 + (ID) 11800
Total energy: -261188.0 ( -129.69 by residue)
QMean score : 0.528
|
|
|