Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYVGHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGWCFDCTPELGWWVGWVKRNERLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
4WMC Chain:E ((1-242))
-------------------EWQENKSWNAHFTEH---GVVVLWNENKQQGFTNNLKRANQAFLPASTF-IPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDG-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) -148643 for 1950 contacts (-76.2/contact) +
2D Compatibility (PS) -25330 + (NN) -11510 + (LL) 1676
1D Compatibility (HY) -20400 + (ID) 4400
Total energy: -208607.0 ( -106.98 by residue)
QMean score : 0.567
(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
: