Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MESPASSQPASMPQSKGKSKRKKDLRISCMSKPPAPNPTPPRNLDSRTFITIGDRNFEVEADDLVTISELGRGAYGVVEKVRHAQSGTIMAVKRIRATVNSQEQKRLLMDLDINMRTVDCFY--TVTFYGALFREG---DVWICMELMDT-SLDKFYRKVLDKNMTIPEDILGEIAVSIVRALEHLHSKLSVIHRDVKPSNVLINKEGHVKMCDFGISGYLVDSVAKTMDAGCKPY-MAPERINPELNQKG-YNVKSDVWSLGITMIEMAILRFPYESWGTPFQQLKQVVEEPSPQLPADRFSPEFVDFTAQCLRKNPAERMSYLELMEHPFFTLHKTKKTDIAAFVKEILGEDS |
4U44 Chain:A ((32-290)) | ---------------------------------------------------------------------VGNGTYGQVYKGRHVKTGQLAAIKVMDVTEDEEEE----IKLEINMLKKYSHHRNIATYYGAFIKKSHDDQLWLVMEFCGAGSITDLVKNT--KGNTLKEDWIAYISREILRGLAHLHIH-HVIHRDIKGQNVLLTENAEVKLVDFGVSA----------TFIGTPYWMAPEVIACDENPDATYDYRSDLWSCGITAIEMAEGAPPLCDM-HPMRALFLIPRNPPPRLKSKKWSKKFFSFIEGCLVKNYMQRPSTEQLLKHPFIRDQPNERQVRIQLKDHIDRTR- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4U44.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -137894 for 1921 contacts (-71.8/contact) +
2D Compatibility (PS) -25291 + (NN) -12525 + (LL) 4180
1D Compatibility (HY) -19200 + (ID) 4500
Total energy: -195230.0 ( -101.63 by residue)
QMean score : 0.529
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