Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYKDYTGLDRTELLSKVRHMMSDKRFNHVLGVERAAIELAERYGYDKEKAGLAALLHDYAKELSDDEFLRLIDKYQLDPDLKKWGNNIWHGLVGIYKIQEDLAIKD---QDILAAIAKHTVGSAQMSTLDKIVYVADYIEHNRDFPGVEEARELAKVDLNKAVAYETARTVSFLASKAQPIYPKTIETYNAYIPYLD
3B57 Chain:A ((6-128))
---------IILSAKNWMHSHF--HDWSHIKRVWKLSKEIQSKEGGDLFTIELAALFHDYSD--------------------------QEATKTLINWMET-KEIPSELIKKIIRIIQSVS----ALTIEEKIVQDADRLDAIGAIGIARTFTYGGAHNREIANQNPKNTTLQHFYDKLLLIKDQLNTETAKTIAKEK
General information:
TITO was launched using:
RESULT:
Template:
3B57.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -44752 for 715 contacts (-62.6/contact) +
2D Compatibility (PS) -10539 + (NN) -5006 + (LL) 1648
1D Compatibility (HY) -1200 + (ID) 1050
Total energy: -60899.0 ( -85.17 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_3B57.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3B57-query.scw
PDB file :
Tito_Scwrl_3B57.pdb
: