Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLSLDGVDLVHADGQRALADIRLRLAAGERVALIGPSGAGKTSLLRVLASQWRPSAGRVELLGEEPWALSAA---ARQRLRARIGLVHQAPPLPPRQRVVSAVLAG--RLGQWPLWKSLVSLVYPLDRAGAHDALQRLDLGDKLFQRCDQLSGGQLQRVGIARVLYQRAELILADEPVSAMDPVLAGHTLALLNREAAARGSTLLASLHAVDLALQHFPRVIGLRAGRIA--------FDLPAGEVDRAALDALYANEQLQAERASPAGEPAVMHIPRC
4U02 Chain:D ((19-238))
-----------------VLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDG-----LSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKA---------EKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVM-RDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFL----------------------------
General information:
TITO was launched using:
RESULT:
Template:
4U02.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132498 for 1642 contacts (-80.7/contact) +
2D Compatibility (PS) -21951 + (NN) -9397 + (LL) 3936
1D Compatibility (HY) -11600 + (ID) 3750
Total energy: -175260.0 ( -106.74 by residue)
QMean score : 0.418
(partial model without unconserved sides chains):
PDB file :
Tito_4U02.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U02-query.scw
PDB file :
Tito_Scwrl_4U02.pdb
: