Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRAELAVYFIAGTQDIVRGTLPSVLEEALKGGITCFQYREKGAGSLQTASERKEMALECQKLCAKYQVPFIINDDVALALEIGADGIHVGQTDEAIRQVIASCSGKMKIGLSVHSVSEAKEAERLGAVDYIGVGPIFPTISKADAEPVSGTAILEEIRRAGITIPIVGIGGINETNSAEVLTAGADGVSVISAITQSDDCHSVIKQLKNPGSPS
1G4S Chain:B ((13-216))
MKELLSVYFIMGSNN-TKADPVTVVQKALKGGATLYQFREKGGDAL-TGEARIKFAEKAQAACREAGVPFIVNDDVELALNLKADGIHIGQEDANAKEVRAAI-GDMILGVAAHTMSEVKQAEEDGA-DYVGLGPIYPTETKKDTRAVQGVSLIEAVRRQGISIPIVGIGGITIDNAAPVIQAGADGVSMISAISQAEDPESAARKFR------
General information:
TITO was launched using:
RESULT:
Template:
1G4S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137619 for 1748 contacts (-78.7/contact) +
2D Compatibility (PS) -22896 + (NN) -16091 + (LL) -100
1D Compatibility (HY) -15200 + (ID) 5000
Total energy: -196906.0 ( -112.65 by residue)
QMean score : 0.677
(partial model without unconserved sides chains):
PDB file :
Tito_1G4S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1G4S-query.scw
PDB file :
Tito_Scwrl_1G4S.pdb
: