Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVSLKTEIAGFSFDNCLMNAAGIYCMTKEELLAIENSEAGSFV---TKTGTLEAREGNPQPRYADTDW-GSINSMGLPNKGIDYYLDFVTELQDQDNSKNHVLSLVGLS-----PEETHIILKKVENSSYNGLIELNLSCPNVPGKPQIAYDFEMTDLILSEIFSYYQK----PLGIKLPPYFDIVHFDQAATIFNKYPLAFINCVNSIGNGLVIDDETVVIKPKNG--FGGIGGDFIKPTALANVHAFYKRLNPSIKIIGTGGVKNGRDAFEHILCGASMVQIGTALQKEGPEIFQRVSRELKEIMADKGYQSLEDFRGQLNYL |
2DOR Chain:A ((1-311)) | --MLNTTFANAKFANPFMNASGVHCMTIEDLEELKAS-QAGAYITKSSTLE--KREGNPLPRYVDLE-LGSINSMGLPNLGFDYYLDYVLKNQKENAQE----GPIFFSIAGMSAAENIAMLKKIQESDFSGITELNLSCPNVP----GKPQLAYDFEATEKLLKEVFTFFTKPLGVKLPPYFDLVHFDIMAEILNQFPLTYVNSVNSIGNGLFIDPEAESVVIKPKDGFGGIGGAYIKPTALANVRAFYTRLKPEIQIIGTGGIETGQDAFEHLLCGATMLQIGTALHKEGPAIFDRIIKELEEIMNQKGYQSIADFHGKLKSL |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DOR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -148304 for 2469 contacts (-60.1/contact) +
2D Compatibility (PS) -32218 + (NN) -19574 + (LL) 1144
1D Compatibility (HY) -28000 + (ID) 7950
Total energy: -234902.0 ( -95.14 by residue)
QMean score : 0.539
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