Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MHRLLSDRARGWRRALCGIVLGLLAWSAHGVPAKAPQDLRIDGEVLPGRSIDLLEQALSRVKFNTDPQQLRRGLVENRLLARAVEDQLTAQSRADLDASVEIEAGNLLEQVYGRRYREDLGPYLRQPRALSAERLREVLAPRSRGLVENSLLLDETQRREAAGVELIGWQFPGQPAQVLDLLSLYEGDNVQGQVELQQGNLAYLARQVQTRIRRDYLWYRLARDGFGPAERQGVRTLVRDKLVRHRYLHQIGLYSDFHHESDALRELAGKVSDKDAEAYYRRNLERYRNVAQVQAAHIRLADQASADKVYAELRGGLAFDEAVRRYSLADDRDRDPPGDLGLIRPQDGRLDLLRKTALIQKADTVSQPMRIDGAFEIVRVRSREDRQLPLDDRSVRFEVNQAVAREQLAAQFETRLRNLLAGARVEGL |
2KGJ Chain:A ((2-98)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QPQRTRYSIIQTKTEDEAKAVLDELNKGGDFAALAKEKSADI-ISARNGGDMGWLEDATIPDEL-KNAGLK-EKGQLSGVIKSSVGFLIVRLDDIQAAHHHHHH------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KGJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -16529 for 717 contacts (-23.1/contact) +
2D Compatibility (PS) -10677 + (NN) -7126 + (LL) 24756
1D Compatibility (HY) -2000 + (ID) 900
Total energy: -12476.0 ( -17.40 by residue)
QMean score : 0.395
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