Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRAELAVYFIAGTQDIVRGTLPSVLEEALKGGITCFQYREKGAGSLQTASERKEMALECQKLCAKYQVPFIINDDVALALEIGADGIHVGQTDEAIRQVIASCSGKMKIGLSVHSVSEAKEAERLGAVDYIGVGPIFPTISKADAEPVSGTAILEEIRRAGITIPIVGIGGINETNSAEVLTAGADGVSVISAITQSDDCHSVIKQLKNPGSPS
1G4E Chain:A ((22-225))
MKELLSVYFIMGSNN-TKADPVTVVQKALKGGATLYQFREKGGDAL-TGEARIKFAEKAQAACREAGVPFIVNDDVELALNLKADGIHIGQ--ANAKEVRAAI-GDMILGVAAHTMSEVKQAEEDGA-DYVGLGPIYPT-----TRAVQGVSLIEAVRRQGISIPIVGIGGITIDNAAPVIQAGADGVSMISAISQAEDPESAARKFR------
General information:
TITO was launched using:
RESULT:
Template:
1G4E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147822 for 1683 contacts (-87.8/contact) +
2D Compatibility (PS) -22322 + (NN) -16177 + (LL) 184
1D Compatibility (HY) -15600 + (ID) 4850
Total energy: -206587.0 ( -122.75 by residue)
QMean score : 0.737
(partial model without unconserved sides chains):
PDB file :
Tito_1G4E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1G4E-query.scw
PDB file :
Tito_Scwrl_1G4E.pdb
: