Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYEKARQMMIEAHSGQVRKI-TGEPYFSHPLNVARILRR-AGF-REEVVVAGLLHDAVEDTEMTDADIRATFGDEVADLVASHTENKTLSWEERKAHTIEQVRTGNLEEKALIVADKLDNLTSVKYALSSEGKSVWSYFKRGYDLQKWYNQGIKNNMEYGLNPSEIPPFFDEYARLVKWIFKK
3NR1 Chain:A ((6-172))
QLLEAADFAARKHRQQRRKDPEGTPYINHPIGVARILTHEAGITDIVVLQAALLHDTVEDTDTTLDEVELHFGAQVRRLVEEVTDDKTLPKLERKRLQVEQAPHSSPGAKLVKLADKLYNLRDLNRCT----PEGWSEH-R-VQEYFEWAAQVVKGLQG---------TNRQLEEALKHLFK-
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) -45214 for 1254 contacts (-36.1/contact) +
2D Compatibility (PS) -17454 + (NN) -6549 + (LL) -384
1D Compatibility (HY) -4800 + (ID) 2750
Total energy: -77151.0 ( -61.52 by residue)
QMean score : 0.486
(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
: