Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIWTNLGRFAFIETEHVNLRPVAYTDREAFWRIASKRTN--LQFIFP---VQTSKKESDFLLVHSFM---KEPLGVWAIEDKVSHKMFGVIRFENIDL-SKKTAEIGYFLKESSWGQGIMTECLKTLSFFAFQEFGMDKLIIVTHKENIASQKVALKAHFKQSRSFKGSDRYTRRIRDYIEFQLTRGDYRYE
3IGR Chain:A ((2-184))
---------DVSFEFEHYQVRLIKSSDAVTIANYFMRNRHHLAPWEPKRSHAFFTPEGWKQRLLQLVELHKHNLAFYFVVVDKNEHKIIGTVSYSNITRFPFHAGHVGYSLDSEYQGKGIMRRAVNVTIDWMFKAQNLHRIMAAYIPRNEKSAKVLAALGFVKEGEAKKYLYINGAWEDHILTSKINDDWKP-
General information:
TITO was launched using:
RESULT:
Template:
3IGR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75435 for 1239 contacts (-60.9/contact) +
2D Compatibility (PS) -18800 + (NN) -5943 + (LL) 672
1D Compatibility (HY) -2000 + (ID) 1500
Total energy: -103006.0 ( -83.14 by residue)
QMean score : 0.341
(partial model without unconserved sides chains):
PDB file :
Tito_3IGR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IGR-query.scw
PDB file :
Tito_Scwrl_3IGR.pdb
: