Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYVGHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGWCFDCTPELGWWVGWVKRNE-RLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
4JF5 Chain:A ((7-243))
-----------------------NQVIHQYFDEKNTSGVLVIQTDKKINLYGNALSRANTEYVPASTFKMLNALIGLENQKT-DINEIFKWKGEKRSFTAWEKDMTLGEAMKLSAVPVYQELARRIGLDLMQKEVKRIGFGNAEIGQQVDNFWLVGPLKVTPIQEVEFVSQLAHTQLPFSEKVQANVKNMLLLEESNGYKIFGKTGWAMDIKPQVGWLTGWVEQPDGKIVAFALNMEMR-SEMPASIRNELLMKSLKQLNII-
General information:
TITO was launched using:
RESULT:
Template:
4JF5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130350 for 1940 contacts (-67.2/contact) +
2D Compatibility (PS) -25362 + (NN) -11571 + (LL) 1496
1D Compatibility (HY) -25200 + (ID) 5300
Total energy: -196287.0 ( -101.18 by residue)
QMean score : 0.568
(partial model without unconserved sides chains):
PDB file :
Tito_4JF5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JF5-query.scw
PDB file :
Tito_Scwrl_4JF5.pdb
: