Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKVLNLGSKKQASFYVACELY-KEMAFN----QHCKLGLATGGTMTDLYEQLVKLLNKNQLNVDNVSTFNLDEYVGLTASHPQSYHYYMDDMLFKQYPYFNRKNIHIPNGDADDMNAEASKYNDVLEQQGQRDIQILGIGENGHIGFNEPGTPFDSVTHIVDLTESTIKANSRYFKNE-DDVPKQAISMGLANILQAKRIILLAFGEKKRAAITHLLNQEISVDVPATLLHKHPNVEIYLDDEACPKNVAKIHVDEMD
1NE7 Chain:C ((1-243))
MKLIILEHYSQASEWAAKYIRNRIIQFNPGPEKYFTLGLPTGSTPLGCYKKLIEYYKNGDLSFKYVKTFNMDEYVGLPRDHPESYHSFMWNNFFKHID-IHPENTHILDGNAVDLQAECDAFEEKIKAAGGIELFVGGIGPDGHIAFNEPGSSLVSRTRVKTLAMDTILANARFFDGELTKVPTMALTVGVGTVMDAREVMILITGAHKAFALYKAIEEGVNHMWTVSAFQQHPRTVFVCDEDA--------------
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) -131701 for 2063 contacts (-63.8/contact) +
2D Compatibility (PS) -25853 + (NN) -15978 + (LL) 992
1D Compatibility (HY) -19200 + (ID) 3950
Total energy: -195690.0 ( -94.86 by residue)
QMean score : 0.595
(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
: