Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDAAVLKRRGYLLGINLGEGSYAKVKSAYSERLKFNVAIKIIDRKKAPADFLEKFLPREIEILAMLNHCSIIKTYEIFETSHGKVYIVMELAVQGDLLELIKTRGALHEDEARKKFHQLSLAIKYCHDLDVVHRDLKCDNLLL---DKDFNIKLSDFSFSKRCLRDDSGRMALSKTFCGSPAYAAPEVLQGIPYQPKVYDIWSLGVILYIMVCGSMPYDDSNIKKML-RIQK-EHRVNFPRSKHLTGECKDLIYHMLQPDVNRRLHIDEILSHCWMQPKARGSPSVAINKEGESSRGTEPLWTPEPGSDKKSATKLEPEGEAQPQAQPETKPEGTAMQMSRQSEILGFPSKPSTMETEEGPPQQPPETRAQ |
| 3NCG Chain:A ((30-291)) | -----------------LGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTIL-REVELLKKLDHPNIMKLFEILEDS-SSFYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLST-CFQQNT---------IGTAYYIAPEVLRG-TYDEKC-DVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKYSSETPTIS------------------------------------------------------------------------------------ |
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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) -180480 for 1928 contacts (-93.6/contact) +
2D Compatibility (PS) -27194 + (NN) -15511 + (LL) 4856
1D Compatibility (HY) -22000 + (ID) 4550
Total energy: -244879.0 ( -127.01 by residue)
QMean score : 0.450
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