Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLIINENEQLVAETVSRRIIELVKE-----KPASLICIAGGDTPLLTIEALIKANQAGEVDFSNTQFVGLDEWVGLGRETKGSCIQTLYDAFFDRLKNVSSEQICFFDGKATSLTDECARVDKFIDDRGGMDFILLGIGLNGHIGFNEPFVPVDVNCHVVELDDVT-KRVMSKYFDT--DLPLTHGISLGMQQILAAKEIFLVATGEKKIDIVKQVVEKEPTVAIPATLVK-DSNTMLVVDKIAASGVEA
1NE7 Chain:A ((1-248))
MKLIILEHYSQASEWAAKYIRNRIIQFNPGPEKYFTLGLPTGSTPLGCYKKLIEYYKNGDLSFKYVKTFNMDEYVGLPRDHPESYHSFMWNNFFKHI-DIHPENTHILDGNAVDLQAECDAFEEKIKAAGGIELFVGGIGPDGHIAFNEPGSSLVSRTRVKTLAMDTILA-NARFFDGELTKVPTMALTVGVGTVMDAREVMILITGAHKAFALYKAIEEGVNHMWTVSAFQQHPRTVFVCDEDATLELK-
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) -202828 for 2085 contacts (-97.3/contact) +
2D Compatibility (PS) -25629 + (NN) -8550 + (LL) 400
1D Compatibility (HY) -12800 + (ID) 3100
Total energy: -252507.0 ( -121.11 by residue)
QMean score : 0.657
(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
: