Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGTFDPIHYGHLVAASEVADLFDLDEVVFVPSGQPWQKGRQVSAAEHRYLMTVIATASNPRFSVSRVDIDRGGPTYTKDTLADLHALHPDSELYFTTGADALASIMSWQGWEELFELARFVGVSRPGYELRNEHITSLLGQLAKDALTLVEIPALAISSTDCRQRAEQSRPLWYLMPDGVVQYVSKCRLYCGACDAGARSTTSLAAGNGL
3MLB Chain:B ((9-189))
IGGTFDPPHYGHLLIANEVYHALNLEEVWFLPNQIPPH---NITSVESRLQMLELATEAEEHFSICLEELSRKGPSYTYDTMLQLTKKYPDVQFHFIIGGDMVEYLPKWYNIEALLDLVTFVGVARPGYKLRTPY-----------PITTVEIPEFAVSSSLLRERYKEKKTCKYLLPEKVQVYIERNGLY--------------------
General information:
TITO was launched using:
RESULT:
Template:
3MLB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131584 for 1320 contacts (-99.7/contact) +
2D Compatibility (PS) -19052 + (NN) -7424 + (LL) 1316
1D Compatibility (HY) -15200 + (ID) 3550
Total energy: -175494.0 ( -132.95 by residue)
QMean score : 0.491
(partial model without unconserved sides chains):
PDB file :
Tito_3MLB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MLB-query.scw
PDB file :
Tito_Scwrl_3MLB.pdb
: