Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFRIGQGFDVHQLVEGRPLIIGGIEIPYEKGLLGHSDADVLLHTVADACLGAVGEGDIGKHFPDTDPEFKDADSFKLLQHVWGIVKQKGYVLGNIDCTIIAQKPKMLPYIEDMRKRIAEGLEADVSQVNVKATTTEKLGFTGRAEGIAAQATVLIQKG
4C8E Chain:C ((25-179))
--RIGQGYDVHQLVEGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHFSDTDAAFKGADSRVLLRACAERVKAAGFTIQNVDSTVIAQAPKLAPHIDGMRANIAADLGLPLERVNVKAKTNEKLGYLGRGEGIEAQAAALLVK-
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) -112608 for 1288 contacts (-87.4/contact) +
2D Compatibility (PS) -16649 + (NN) -10055 + (LL) 168
1D Compatibility (HY) -14000 + (ID) 4750
Total energy: -157894.0 ( -122.59 by residue)
QMean score : 0.576
(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
: