Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFAVRYKIT--IEYNGSSFSGWQKQQHSANSIQETIENAIFNFSGEKVTLHCGGRTDAGVHALGQVAHFDME--RKFELYKIRNAINYHLKSIPIVVLNAETVDNTFHSRFSAKKRYYEYRIIN-RYAPAALEAGYAWQVFNPLDVNIMREAAKYLLGKHNLLSFRSKDCQATNPIRTIDDIDIVQNGSHIYIKISAISFLHNQVRIIVGTLVEFGKSRTNPQKMLNILNQCKRNAAGVTAPPFGLYLAKIDY
2NQP Chain:A ((10-252))
------YKIALGIEYDGSKYYGWQRQ-NEVRSVQEKLEKALSQVANEPITVFCAGRTDAGVHGTGQVVHFETTALRKDAAWTL--GVNANLPG-DIAVRWVKTVPDDFHARFSATARRYRYIIYNHRLRPAVLSKGVT-HFYEPLDAERMHRAAQCLLGENDFTSFRAVQCQSRTPWRNVMHINVTRHGPYVVVDIKANAFVHHMVRNIVGSLMEVGAHNQPESWIAELLAAKDRTLAAATAKAEGLYLVAVDY
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) -162574 for 1946 contacts (-83.5/contact) +
2D Compatibility (PS) -25228 + (NN) -5884 + (LL) 1200
1D Compatibility (HY) -18800 + (ID) 4900
Total energy: -216186.0 ( -111.09 by residue)
QMean score : 0.482
(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
: