Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRLKCTISYDGHLFNGYQVQPGKRTVQDELEKALAVLHKSKDRIPVVSSGRTDSGVHAAGQVIHFDTPLSIPAERWPYALNALLPDDIAVKQAEIADDGFHARFSAVKKEYRYFVYTEK-HPDVFKRHYAYHFSYRLNVQDMREAAKHLIGTHDFTSFCAAKTEVQDKVRTIYELDWTETADGLQMRITGSGFLYNMVRIIAGTLLDAGIGKISPDEVKSMLEAKDREAAGRTAPGHGLYLWNVYYDN
2NQP Chain:C ((11-254))
-KIALGIEYDGSKYYGWQRQNEVRSVQEKLEKALSQV--ANEPITVFCAGRTDAGVHGTGQVVHFETTALRKDAAWTLGVNANLPGDIAVRWVKTVPDDFHARFSATARRYRYIIYNHRLRPAVLSKGVT-HFYEPLDAERMHRAAQCLLGENDFTSFRAVQCQSRTPWRNVMHINVTRHGPYVVVDIKANAFVHHMVRNIVGSLMEVGAHNQPESWIAELLAAKDRTLAAATAKAEGLYLVAVDYPD
General information:
TITO was launched using:
RESULT:
Template:
2NQP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151008 for 2007 contacts (-75.2/contact) +
2D Compatibility (PS) -25965 + (NN) -11050 + (LL) 408
1D Compatibility (HY) -18800 + (ID) 4600
Total energy: -211015.0 ( -105.14 by residue)
QMean score : 0.445
(partial model without unconserved sides chains):
PDB file :
Tito_2NQP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NQP-query.scw
PDB file :
Tito_Scwrl_2NQP.pdb
: