Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTIYHFVGIKGSGMSALAQILHDKGFQVQGSDVDKYFFTQKALEEKQIPIMTFSADNIQEGLTIIAGNAFPDTHEEIERALELGLSVIRYHKFLGQLIDGYTSIAITGSHGKTSTTGLLSHVVGAIRPTS-YL--IGDGT---G----------------------------S--------------GTKDAEYFALEACEYQR--HFLAYKPTYAIMTNIDWDHPDYFK-SVDDVFNAFETLGKQVKKAVFALGDD-AE-LRKLTLD--IPI------IYFGFGEENEFQAKNVIKETTGTKFDVYHREEFLSSFEIPAYGDHNVLNALSVIALCDY--EGLPVEDVKNELKTFEGVKRRFSITEKGNQVLVDDYAHHPSEIRATVNAARQKYPDKKVVAVFQPHTFTRTRTFLQGFADSLN-LADEVYLCDIFGSA-REKTGNLTIADLAHKTKG----NHIIKEEHTEELLKYPEAVILFMGAGDVQKFQAAYEKVLDHEFLTEADLKKSAIN |
3NRS Chain:A ((51-428)) | ---------------------------------------------------------------------------------------------------APKIFTVAGTNGKGTTCCTLEAILLAAGLRVGVYSSPHLLRYTERVRIQGQELSEAEHSHSFAQIEAGRGDISLTYFEFGTLSALQLFKQAKLDVVILEVGLGGRLDATNIVDSDVAAITSIALDHTDWLGYDRESIGREKAGVFRGG-KPAVVGEPDMPQSIADVAAELGAQLYRRDVAWKFSQ---------------NGWHWQCG----ERQLTGLPVPN-VPLANAATALAVLHYSELPLSDEAIRQGLQAA-SLPGRFQVVSE-QPLLILDVAHNPHAARYLVNRLAQVI--GKVRAVVGML---SDKD-IAGTLACLSERVDEWYCAPLEGPRGAS------AGQLAEHLVSARQFSDVETAWRQAMQDADTQDVVIVCGSFHTV-------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NRS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132119 for 2397 contacts (-55.1/contact) +
2D Compatibility (PS) -30688 + (NN) -10676 + (LL) 11384
1D Compatibility (HY) -8000 + (ID) 2600
Total energy: -172699.0 ( -72.05 by residue)
QMean score : 0.434
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