Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | --------------------------------------------------------------------------------------------------MSRSNGSSSRRTFLRLAALLLPAGALLGSLPGVRAAARPRKLYLAGPDVFRADAVAHGEALKALCARYGFEGLYPLDNALPKQLAEPR--EQAAWIYRANIGLIERADAVLANLNFFRGAEPDSGTAFEVGYATALGKPVYGYVDDAGSYAERIRRHAPELIGEDPTRDRDGMTLEEFGLPLNLMLAVPA----TLVVGDAEQALRQLASRRHG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
| 3WPU Chain:A ((3-540)) | GLQDGPEPTIHTQQAYAPEDDFTAKWTRADARQLQRMSDPTAPSRENSMPASVTMPTVPQDFPDMSNEQVWVWDTWPLTDEDANQYSVNGWEIIFSLVADRNLGFDDRHVFAKIGYFYRPAG--------VPAAERPEN------------------------GGWTYGGLVFKEGVTGQIFEDQSFSHQTQWSGSARVSKNGEIKLFFTDVAFYRNSDGTNIKPYDPRIALSVGKVK---ANKKGVTLTGF-NKVTDLLQADGTYYQTGAQNEFFNFRDPFTFEDPAHPGETFMVFEGNSAMQRETATCNEADLGYRQGDPYAETVDDVNASGATYQIGNVGLAKAKNKQLTEWEFLPPILSANCVTDQTERPQIYFKDGKSYLFTISHRGTFAAGLDGPEGVYGFVGDGIRSDYQPLNGGSGLALGNPTNLNFLGGQPFAPDFNQHPGHFQAYSHYVMPGGLVQSFIDTIGTHDDFVRGGTLAPTVKMDIGVGGDPTKTAVDYSYGSEGLGGWADIPANKHLFTNGKFGVAVSDEAAQKIRKILGSKFDDYLDGKPVSATVRALIEKLLAQY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WPU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -81952 for 1428 contacts (-57.4/contact) +
2D Compatibility (PS) -17280 + (NN) 2097 + (LL) 2180
1D Compatibility (HY) -4800 + (ID) 1700
Total energy: -101455.0 ( -71.05 by residue)
QMean score : 0.094
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