Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYVGHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGW-CFDCTPELGWWVGWVKRNE-RLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
4K0W Chain:A ((7-244))
-----------------------NQVIHQYFDEKNTSGVLVIQTDKKINLYGNALSRANTEYVPASTFKMLNALIGLENQKT-DINEIFKWK----------KDMTLGEAMKLSAVPVYQELARRIGLDLMQKEVKRIGFGNAEIGQQVDNFWLVGPLKVTPIQEVEFVSQLAHTQLPFSEKVQANVKNMLLLEESNGYKIFGKTGWAAMDIKPQVGWLTGWVEQPDGKIVAFALNMEMR-SEMPASIRNELLMKSLKQLNII-
General information:
TITO was launched using:
RESULT:
Template:
4K0W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124829 for 1900 contacts (-65.7/contact) +
2D Compatibility (PS) -24433 + (NN) -10046 + (LL) 2068
1D Compatibility (HY) -24400 + (ID) 5050
Total energy: -186690.0 ( -98.26 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_4K0W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4K0W-query.scw
PDB file :
Tito_Scwrl_4K0W.pdb
: