Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATTLPVQRHPRSLFPEFSELFAAFPSFAGLRPTFDTRLMRLEDEMKEGRYEVRAELPGVDPDKDVDIMVRDGQLTIKAERTEQKDFDG-----RSEFAYGSFVRTVSLPVGADEDDIKATYDKGILTVSVAVSEGKPTEKHIQIRSTN
1SHS Chain:A ((33-147))
-----------------------------TGIQISGKGFMPISIIEGDQHIKVIAWLPGVN-KEDIILNAVGDTLEIRAKRSPLMITESERIIYSEIPEEEEIYRTIKLPATVKEENASAKFENGVLSVILPKAESSI-KKGINIE---
General information:
TITO was launched using:
RESULT:
Template:
1SHS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -31458 for 690 contacts (-45.6/contact) +
2D Compatibility (PS) -12046 + (NN) -2999 + (LL) 2052
1D Compatibility (HY) -4400 + (ID) 1250
Total energy: -50101.0 ( -72.61 by residue)
QMean score : 0.479
(partial model without unconserved sides chains):
PDB file :
Tito_1SHS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SHS-query.scw
PDB file :
Tito_Scwrl_1SHS.pdb
: