Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYEKARQMMIEAHSGQVRK-ITGEPYFSHPLNVARIL-RRAGFREEVVV-AGLLHDAVEDTEMTDADIRATFGDEVADLVASHTENKTLSWEERKAHTIEQVRTGNLEEKALIVADKLDNLTSVKYALSSEGKS---VWSYFKRGYDLQKWYNQGIKNNMEYGLNPSEIPPFFDEYARLVKWIFKK
3NR1 Chain:A ((18-167))
------------HRQQRRKDPEGTPYINHPIGVARILTHEAGITDIVVLQAALLHDTVEDTDTTLDEVELHFGAQVRRLVEEVTDDKTLPKLERKRLQVEQAPHSSPGAKLVKLADKLYNLRDLNRC-TPEGWSEHRVQEYFEWAAQVVKGL-QGTNRQLEEAL----------------------
General information:
TITO was launched using:
RESULT:
Template:
3NR1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -13551 for 1039 contacts (-13.0/contact) +
2D Compatibility (PS) -15314 + (NN) -6385 + (LL) 3256
1D Compatibility (HY) -7600 + (ID) 3000
Total energy: -42594.0 ( -41.00 by residue)
QMean score : 0.424
(partial model without unconserved sides chains):
PDB file :
Tito_3NR1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NR1-query.scw
PDB file :
Tito_Scwrl_3NR1.pdb
: