Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQLITTENKLAGSKKALEIIEKGITS-----GEVNTLGLATGSTPETLYAELVK----SDVDTKNVTTTNLDEYVGLAASDPNSYHYYMNDLLFSKK--AFKESFLPNGEATDAEAECARYEEIL-SEHPIDIQVLGIGTNGHIGFNEPGTSFDSITHKVVLTDSTREANKRFFERE-EDVPTHAYSMGIKSIMNAKKIILLAFGENKAQAIKETIKGPVDVNCPASVLQNHPDVTVILDNEAASLL |
1NE7 Chain:A ((1-247)) | MKLIILEHYSQASEWAAKYIRNRIIQFNPGPEKYFTLGLPTGSTPLGCYKKLIEYYKNGDLSFKYVKTFNMDEYVGLPRDHPESYHSFMWNNFFKHIDIHPENTHILDGNAVDLQAECDAFEEKIKAAGGIELFVGGIGPDGHIAFNEPGSSLVSRTRVKTLAMDTILANARFFDGELTKVPTMALTVGVGTVMDAREVMILITGAHKAFALYKAIEEGVNHMWTVSAFQQHPRTVFVCDEDATLEL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NE7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -91894 for 2035 contacts (-45.2/contact) +
2D Compatibility (PS) -25758 + (NN) -15278 + (LL) 0
1D Compatibility (HY) -16400 + (ID) 4450
Total energy: -153780.0 ( -75.57 by residue)
QMean score : 0.597
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