Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ----------------------------------------------------------MKKMMQGAAALIALV------GAGESMALEWMSNSVGFRYGQQFT--NPNNPDKFAKRIYSFTHAD---GYRYGSNFFNLDVFLSDNRDPRKGT----DHGG--SEVYAVYRHQLYASRVFDRPLGTGLVKDYAFTLGFDASRNNNLASAKKRALVFGPT----LKFNGPGVLDLSLLYYREKNHFGVPGARHPDHTFDTTYMLNLTWMR----PFKVGNHAAKFQGFVNY-----------------------VGDKGEDYNDKHTAAETLVRTALMVAALPGDKRQPNLWL---------GVGYEYWHNKFGVDGGTG--SRTSTPTLNMEFTF---------- |
| 2GSH Chain:A ((4-406)) | NIMTLPKIKHVRAWFIGGATAEKGAGGGDYHDQGGNHWIDDHIATPMSKYRDYEQSRQSFGINVLGTLIVEVEAENRQTGFAVSTAGEMGCFIVEKHLNRFIEGKCVSDIKLIHDQMLGATMYYSGSGGLVMNTISCVDLALWDLFGKVVGLPVYKLLGGAVRDEIQFYATGARPDLAKEMGFIGGKMPTHWGPHDGDAGIRKDAAMVADMREKCGPDFWLMLDCWMSQDVNYATKLAHACAPFNLKWIEECLPPQQYEGYRELKRNAPAGMMVTSGEHHGTLQSFRTLAETGIDIMQPDVGWCGGLTTLVEIAALAKSRG-QLVVPHGSSVYSHHAVITFTNTPFSEFLMTSPDCSTLRPQFDPILLDEPVPVNGRIHKSVLDKPGFGVELNRDCHLKRPYSH |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GSH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -24628 for 2100 contacts (-11.7/contact) +
2D Compatibility (PS) -29189 + (NN) -6003 + (LL) -76
1D Compatibility (HY) 1200 + (ID) 1550
Total energy: -60246.0 ( -28.69 by residue)
QMean score : 0.076
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