Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRYKAQISYDGSAFSGFQRQPNCRTVQEEIERTLKRLNSGNDVIIHGAGRTDAGVHAYGQVIHFDLPQARDVEKLRFGLDTQCPDDIDIVKVEQVSDDFHCRYDKHIKTYEFLVDIGRPKNPMMRNYATHYPYPVIIELMQEAIKDLVGTHDFTGFTASGTSVENKVRTIFDAKIQFEASKN--LLIFTFTGNGFLYKQVRNMVGTLLKIGNGRMPISQIKTILQAKNRDLAGPTAAGNGLYLKEIIYEDKECFSNFRK
2NRE Chain:A ((16-255))
-------IEYDGSKYYGWQRQNEVRSVQEKLEKALSQV-ANEPITVFCAGRTDAGVHGTGQVVHFETTALRKDAAWTLGVNANLPGDIAVRWVKTVPDDFHARFSATARRYRYIIYNHRLRPAVLSKGVTHFYEPLDAERMHRAAQCLLGENDFTSFRA----V-----TPWRNVMHINVTRHGPYVVVDIKANAFVHHMVRNIVGSLMEVGAHNQPESWIAELLAAKDRTLAAATAKAEGLYLVAVDYPDRYDLPKPPM
General information:
TITO was launched using:
RESULT:
Template:
2NRE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113709 for 1830 contacts (-62.1/contact) +
2D Compatibility (PS) -24888 + (NN) -11349 + (LL) 904
1D Compatibility (HY) -18000 + (ID) 4050
Total energy: -171092.0 ( -93.49 by residue)
QMean score : 0.361
(partial model without unconserved sides chains):
PDB file :
Tito_2NRE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NRE-query.scw
PDB file :
Tito_Scwrl_2NRE.pdb
: