Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLSNSQGQSPPVPFPAPAPPPQPPTPALPHPPAQPPPPPPQQFPQFHVKSGLQIKKNAIIDDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKML-------QDCPKARREVELHWRASQCPHIVRIVDVYENLYAGRKCLLIVMECLDGGELFSRIQDRGDQAFTEREASEIMKSIGEAIQYLHSINIAHRDVKPENLLYTSKRPNAILKLTDFGFAKETTSHNSLTTPCYTPYYVAPEVLGPEKYDKSCDMWSLGVIMYILLCGYPPFYSNHGLAISPGMKTRIRMGQYEFPNPEWSEVSEEVKMLIRNLLKTEPTQRMTITEFMNHPWIMQ-STKVP--------QTPLHTSRVLKEDKERWEDVKEEMTSALATMRVDYEQIKIKKIEDASNPLLLKRRKKARALEAAALAH |
3NCG Chain:A ((29-356)) | --------------------------------------------------------------------MLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTILREVELLKKLDH-PNIMKLFEILED----SSSFYIVGELYTGGELFDEIIKR--KRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQNT-----IGTAYYIAPEVLRG-TYDEKCDVWSAGVILYILLSGTPPFYGKNEYDILK----RVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKYSSETPTISDLPSLESAMTNIRQFQAEKKLAQAALLYMASKLTTLDETKQLTEIFRKLDTNNDGMLDRDELVRGYHEFMRLK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NCG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -130339 for 2288 contacts (-57.0/contact) +
2D Compatibility (PS) -32479 + (NN) -13993 + (LL) 1340
1D Compatibility (HY) -23200 + (ID) 5700
Total energy: -204371.0 ( -89.32 by residue)
QMean score : 0.396
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