Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQMMQMYQQVGPAQFSAMIGQFAPYFASIAPQFVELRPGYAEVTFPKRREVLNHIGTVHAIALCNAAELAAGTMTDASIP-AGHRWIPRGMTVEYLAKAT-GDVRAVADGSQIDWQAT-GNLVVPVVAYVDD-KPVFRAEITMYVSQA
3S4K Chain:A ((19-141))
-----------------------VPFDSELGLQFTELGPDGARAQLDVRPKLLQLTGVVHGGVYCAMIESIASMAAFAWLNSEGGSVVGVNNNTDFVRSISSGMVYGTAEPL----HRGRRQQLWLVTITDDTDRVVARGQVRLQNLEA
General information:
TITO was launched using:
RESULT:
Template:
3S4K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79146 for 885 contacts (-89.4/contact) +
2D Compatibility (PS) -12527 + (NN) -2252 + (LL) 2664
1D Compatibility (HY) -1600 + (ID) 1200
Total energy: -94061.0 ( -106.28 by residue)
QMean score : 0.245
(partial model without unconserved sides chains):
PDB file :
Tito_3S4K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S4K-query.scw
PDB file :
Tito_Scwrl_3S4K.pdb
: