Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYVGHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGWCFDCTPELGWWVGWVKRNE-RLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
4X55 Chain:A ((17-253))
-----------------------NQVIHQYFDEKNTSGVLVIQTDKKINLYGNALSRANTEYVPASTFDMLNALIGLENQKT-DINEIFKWKGEKRSFTAWEKDMTLGEAMKLSAVPVYQELARRIGLDLMQKEVKRIGFGNAEIGQQVDNFWLVGPLKVTPIQEVEFVSQLAHTQLPFSEKVQANVKNMLLLEESNGYKIFGKTGWAMDIKSQVGWLTGWVEQPDGKIVAFALNMEMR-SEMPASIRNELLMKSLKQLNII-
General information:
TITO was launched using:
RESULT:
Template:
4X55.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125060 for 1973 contacts (-63.4/contact) +
2D Compatibility (PS) -25572 + (NN) -11156 + (LL) 1496
1D Compatibility (HY) -25200 + (ID) 5200
Total energy: -190692.0 ( -96.65 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_4X55.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4X55-query.scw
PDB file :
Tito_Scwrl_4X55.pdb
: