Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDATVLRKKGYIVGINLGKGSYAKVKSAYSERLKFNVAVKIIDRKKTPTDFVERFLPREMDILATVNHGSIIKTYEIFETSDGRIYIIMELGVQGDLLEFIKCQGALHEDVARKMFRQLSSAVKYCHDLDIVHRDLKCENLLL---DKDFNIKLSDFGFSKRCLRDSNGRIILSKTFCGSAAYAAPEVLQSIPYQPKVYDIWSLGVILYIMVCGSMPY---DDSDIRKMLRIQKEHRVDFPRSKNLTCECKDLIYRMLQPDVSQRLHIDEILSHSWLQPPKPKATSSASFKREGEGKYRAECKLDTKTGLRPDHRPDHKLGAKTQHRLLVVPENENRMEDRLAETSRAKDHHISGAEVGKAST |
3IGO Chain:A ((30-281)) | -----------------LGKGSFGEVLKCKDRITQQEYAVKVINKASAKNK-TSTIL-REVELLKKLDHPNIMKLFEILEDSSS-FYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLST-CFQ-QNT----------TAYYIAPEVLRG-TYDEKC-DVWSAGVILYILLSGTPPFYGKNEYDILKRVETGK-YAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQ------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IGO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -183292 for 1845 contacts (-99.3/contact) +
2D Compatibility (PS) -25236 + (NN) -11279 + (LL) 6240
1D Compatibility (HY) -21600 + (ID) 4650
Total energy: -239817.0 ( -129.98 by residue)
QMean score : 0.469
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