Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDATVLRKKGYIVGINLGKGSYAKVKSAYSERLKFNVAVKIIDRKKTPTDFVERFLPREMDILATVNHGSIIKTYEIFETSDGRIYIIMELGVQGDLLEFIKCQGALHEDVARKMFRQLSSAVKYCHDLDIVHRDLKCENLLL---DKDFNIKLSDFGFSKRCLRDSNGRIILSKTFCGSAAYAAPEVLQSIPYQPKVYDIWSLGVILYIMVCGSMPY---DDSDIRKMLRIQKEHRVDFPRSKNLTCECKDLIYRMLQPDVSQRLHIDEILSHSWLQPPKPKATSSASFKREGEGKYRAECKLDTKTGLRPDHRPDHKLGAKTQHRLLVVPENENRMEDRLAETSRAKDHHISGAEVGKAST |
3MWU Chain:A ((30-281)) | -----------------LGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTIL-REVELLKKLDHPNIMKLFEILEDSSS-FYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLST-CFQ-QN-------DRIGTAYYIAPEVLRG-TYDEKC-DVWSAGVILYILLSGTPPFYGKNEYDILKRVETGK-YAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQ------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MWU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181978 for 1870 contacts (-97.3/contact) +
2D Compatibility (PS) -25692 + (NN) -11756 + (LL) 5868
1D Compatibility (HY) -21200 + (ID) 4700
Total energy: -239458.0 ( -128.05 by residue)
QMean score : 0.453
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