Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFAVRYKIT--IEYNGSSFSGWQKQQHSANSIQETIENAIFNFSGEKVTLHCGGRTDAGVHALGQVAHFDME--RKFELYKIRNAINYHLKSIPIVVLNAETVDNTFHSRFSAKKRYYEYRIIN-RYAPAALEAGYAWQVFNPLDVNIMREAAKYLLGKHNLLSFRSKDCQATNPIRTIDDIDIVQNGSHIYIKISAISFLHNQVRIIVGTLVEFGKSRTNPQKMLNILNQCKRNAAGVTAPPFGLYLAKIDY
2NRE Chain:A ((10-252))
------YKIALGIEYDGSKYYGWQRQ-NEVRSVQEKLEKALSQVANEPITVFCAGRTDAGVHGTGQVVHFETTALRKDAAWTL--GVNANLPG-DIAVRWVKTVPDDFHARFSATARRYRYIIYNHRLRPAVLSKGVT-HFYEPLDAERMHRAAQCLLGENDFTSFRAV-----TPWRNVMHINVTRHGPYVVVDIKANAFVHHMVRNIVGSLMEVGAHNQPESWIAELLAAKDRTLAAATAKAEGLYLVAVDY
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) -144446 for 1861 contacts (-77.6/contact) +
2D Compatibility (PS) -24916 + (NN) -7916 + (LL) 1496
1D Compatibility (HY) -18400 + (ID) 4700
Total energy: -198882.0 ( -106.87 by residue)
QMean score : 0.415
(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
: