Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
GSHMLEMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK
4C8E Chain:A ((22-181))
----MDVRIGQGYDVHQLVEGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHFSDTDAAFKGADSRVLLRACAERVKAAGFTIQNVDSTVIAQAPKLAPHIDGMRANIAADLGLPLERVNVKAKTNEKLGYLGRGEGIEAQAAALLVKQG-
General information:
TITO was launched using:
RESULT:
Template:
4C8E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119809 for 1335 contacts (-89.7/contact) +
2D Compatibility (PS) -17787 + (NN) -11331 + (LL) 116
1D Compatibility (HY) -15200 + (ID) 5050
Total energy: -169061.0 ( -126.64 by residue)
QMean score : 0.703
(partial model without unconserved sides chains):
PDB file :
Tito_4C8E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4C8E-query.scw
PDB file :
Tito_Scwrl_4C8E.pdb
: