Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLITTENKLAGSKKALEIIEKGITSG-----EVNTLGLATGSTPETLYAELVK----SDVDTKNVTTTNLDEYVGLAASDPNSYHYYMNDLLFSKKAF--KESFLPNGEATDAEAECARYEE-ILSEHPIDIQVLGIGTNGHIGFNEPGTSFDSITHKVVLTDSTREANKRFFERE-EDVPTHAYSMGIKSIMNAKKIILLAFGENKAQAIKETIKGPVDVNCPASVLQNHPDVTVILDNEAASLL
1NE7 Chain:B ((1-243))
MKLIILEHYSQASEWAAKYIRNRIIQFNPGPEKYFTLGLPTGSTPLGCYKKLIEYYKNGDLSFKYVKTFNMDEYVGLPRDHPESYHSFMWNNFFKHIDIHPENTHILDGNAVDLQAECDAFEEKIKAAGGIELFVGGIGPDGHIAFNEPGSSLVSRTRVKTLAMDTILANARFFDGELTKVPTMALTVGVGTVMDAREVMILITGAHKAFALYKAIEEGVNHMWTVSAFQQHPRTVFVCDEDA----
General information:
TITO was launched using:
RESULT:
Template:
1NE7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82197 for 2002 contacts (-41.1/contact) +
2D Compatibility (PS) -25458 + (NN) -16211 + (LL) 468
1D Compatibility (HY) -17200 + (ID) 4450
Total energy: -145048.0 ( -72.45 by residue)
QMean score : 0.563
(partial model without unconserved sides chains):
PDB file :
Tito_1NE7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NE7-query.scw
PDB file :
Tito_Scwrl_1NE7.pdb
: