Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYVGHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGWCFDCTPELGWWVGWVKRNERLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
4WMC Chain:D ((1-242))
-------------------EWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTF-IPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDI------FWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDG-LGLRQAITKEVLKQEKIIP
General information:
TITO was launched using:
RESULT:
Template:
4WMC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144299 for 1919 contacts (-75.2/contact) +
2D Compatibility (PS) -25268 + (NN) -11184 + (LL) 1768
1D Compatibility (HY) -20000 + (ID) 4300
Total energy: -203283.0 ( -105.93 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_4WMC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WMC-query.scw
PDB file :
Tito_Scwrl_4WMC.pdb
: