Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYVGHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGWCFDCTPELGWWVGWVKRNERLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
4S2K Chain:C ((21-265))
----------------VAKEWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDG-LGLRQAITKEVLKQEKIIP
General information:
TITO was launched using:
RESULT:
Template:
4S2K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140908 for 2087 contacts (-67.5/contact) +
2D Compatibility (PS) -26392 + (NN) -13225 + (LL) 1292
1D Compatibility (HY) -20000 + (ID) 4500
Total energy: -203733.0 ( -97.62 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_4S2K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S2K-query.scw
PDB file :
Tito_Scwrl_4S2K.pdb
: