Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPNMTSIREFILLGFTDNPELQVVIFFFMLITYLLSVSGNMIIIMLTLSNIHLKTPMYFFLRNFSFLEISFTTVFIPRFLINIATGDTTISYNASMAQVFFLILLGSTEFFLLAVMSYDRYVAICKPLHYTTIMSNKVCNWLVISSWLAGFLIIFPPVIMGLQLDFCDSSTIDHFICDSSPMLLIACTDTQFLELMAFLLAVFTLMVTLALVVLSYTLILKTILKIPSA-----------QQRKKAFSTCSSHMIVVSVSYGSCIFMCVKTSAKEG---MA-LSK--GVAVLNTSVAPMLNPFIYTLRNQQVKQALREFTKKILSLNKQ |
2KS9 Chain:A ((33-325)) | ----------------------VLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRL--SATATKVVICVIWVLALLLAFPQGYYSTTETM-----PSRVVCMIEWPEHP---NKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAG |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KS9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -233079 for 2150 contacts (-108.4/contact) +
2D Compatibility (PS) -28060 + (NN) -11293 + (LL) 2072
1D Compatibility (HY) -21600 + (ID) 2050
Total energy: -294010.0 ( -136.75 by residue)
QMean score : 0.272
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