Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLNLFNNNQVDYSRQNYIILDENKHIYNAVINDLS-----WKYLFLFGPKGSGKTHLAHIWQSINN--------AIFINVNNF------------ISEIR--YSNA--FILEDVQDI----QDEATLLHCYNYMKENNKRLLITSSTSPKRLNFKLKDLSSRILSTISAKIPSASEELLRIMLIKRFSDKQLKVDLKVINYILARIERSFCSINRIIEKIDNGSMGSNVTIPFVSTLLKRDTT
3R8F Chain:A ((8-195))
------------YTLENFIVGEGNRLAYEVVKEALENLGSLYNPIFIYGSVGTGKTHL---LQAAGNEAKKRGYRVIYSSADDFAQAMVEHLKKGTINEFRNMYKSVDLLLLDDVQFLSGKERTQIEFFHIFNTLYLLEKQIILASDRHPQKLDGVSDRLVSRFEGGILVEIELDNKTRFKI-IKEKLKEFNLELRKEVIDYLLENTKNVREIEGKIKLIKLKGFEGLERKERKERDKLMQIVE
General information:
TITO was launched using:
RESULT:
Template:
3R8F.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102387 for 1128 contacts (-90.8/contact) +
2D Compatibility (PS) -16605 + (NN) -8486 + (LL) 1328
1D Compatibility (HY) -14000 + (ID) 2200
Total energy: -142350.0 ( -126.20 by residue)
QMean score : 0.417
(partial model without unconserved sides chains):
PDB file :
Tito_3R8F.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R8F-query.scw
PDB file :
Tito_Scwrl_3R8F.pdb
: