Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEQKTFIKVTCSILTISDTRNLDTDTSGQLIQSALETAGHEVISRVVVPDDVTLIKQKINE-LAANGSFCLITNGGTGIARRDVTYEALFATIQQEIPGFGEIFRMLSYEEVGSRAMVSRAFAGFSESGLLLFALPGSSNACQLAVQKLIIPEL----------PHLIAERQK
1R2K Chain:B ((7-167))
-----FIPTRIAILTVSNRRGEEDDTSGHYLRDSAQEAGHHVVDKAIVKENRYAIRAQVSAWIASDDVQVVLITGGTGLTEGDQAPEALLPLFDREVEGFGEVFRMLSFEEIGTSTLQSRAVAGVANK-TLIFAMPGSTKACRTAWENIIAPQLDARTRPCNFHPHL------
General information:
TITO was launched using:
RESULT:
Template:
1R2K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119031 for 1224 contacts (-97.2/contact) +
2D Compatibility (PS) -15697 + (NN) -4136 + (LL) 1112
1D Compatibility (HY) -12000 + (ID) 2950
Total energy: -152702.0 ( -124.76 by residue)
QMean score : 0.573
(partial model without unconserved sides chains):
PDB file :
Tito_1R2K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1R2K-query.scw
PDB file :
Tito_Scwrl_1R2K.pdb
: