Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNFNKLKFGATIGIIGGGQLGKMMAQSAQKMGYKVVVLDPSEDCPCRYVAHEFIQAKYDDEKALNQLGQKCDVITYEFENISAQQLKLLCEKYNIPQGYQAIQLLQDRLTEKETLKSAGTKVVPFISVKESTDIDKAIETLGYPFIVKTRFGGYDGKGQVLINNEKDLQEGFKLIETSECVAEKYLNIKKEVSLTVTRGNNNQITFFPLQENEHRNQILFKTIVPARIDK--TAEAKEQVNKIIQSIHFIGTFTVEFFIDSNNQLYVNEIAPRPHNSGHYSIEACDYSQFDTHILAVTGQSLPNSIELLKPAVMMNLLGKDLDLLENEFNEHPEWHLHIYGKSGRKDSRKMGHMTVLTNDVNQTEQDMYAKFEGSN |
3R5H Chain:B ((14-365)) | --------GKTIGIIGGGQLGRMMALAAKEMGYKIAVLDPTKNSPCAQVADIEIVASYDDLKAIQHLAEISDVVTYEFENIDYRCLQWLEKHAYLPQGSQLLSKTQNRFTEKNAIEKAGLPVATYRLVQNQEQLTEAIAELSYPSVLKTTTGGYDGKGQVVLRSEADVDEARKLANAAECILEKWVPFEKEVSVIVIRSVSGETKVFPVAENIHVNNILHESIVPARITEELSQKAIAYAKVLADELELVGTLAVEMFATADGEIYINELAPRPHNSGHYTQDACETSQFGQHIRAICNLPLGET-NLLKPVVMVNILGEHIEGVLRQVNRLTGCYLHLYGKEEAKAQRKMGHVNILNDNI--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R5H.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140925 for 2980 contacts (-47.3/contact) +
2D Compatibility (PS) -39108 + (NN) -23599 + (LL) 1524
1D Compatibility (HY) -28800 + (ID) 7750
Total energy: -238658.0 ( -80.09 by residue)
QMean score : 0.515
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