Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYVGHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGWCFDCTPELGWWVGWVKRNERLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
4S2L Chain:B ((1-237))
--------------------WQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTF-IPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGY----DTKIGWWVGWVELDDNVWFFAMNMDMPTSDG-LGLRQAITKEVLKQEKIIP
General information:
TITO was launched using:
RESULT:
Template:
4S2L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137921 for 1945 contacts (-70.9/contact) +
2D Compatibility (PS) -25537 + (NN) -13816 + (LL) 1864
1D Compatibility (HY) -20400 + (ID) 4300
Total energy: -200110.0 ( -102.88 by residue)
QMean score : 0.559
(partial model without unconserved sides chains):
PDB file :
Tito_4S2L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S2L-query.scw
PDB file :
Tito_Scwrl_4S2L.pdb
: