Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTQEIAKYNVHTKAHKRKLIKRWLIAIVVLAIIIWAFAGVPSLELKSKSLEILKSIFSGLFHPDISYIYIPDGEDLLRGLLETFAIAVVGTFIAAIICIPLA-FLGANNMVKLRPVSGVSKFILSVIRVFPEIVMALIFIKAVG------PGSFSGVLALGIHSVGMLGKLLAEDIEGLDFSAVESLKASGANKIKTLVFAVIPQIMPAFLSLILYRFELNLRSASILGLIGAGGIGTPLIFAIQTRSWDRVGIILIGLVLMVAIVDLISGSIRKRIV
4YMT Chain:C ((26-176))
------------------------------------------------------------------------------------------TFLAVTIGVLMGLFIALMKMSSIKPIKLVASSYIEVIRGTPLLVQLLLIYNGLMQFGMNIPAFTAGVSALAINSSAYVAEIIRAGIQAVDPGQNEAARSLGMTHAMAMRYVIIPQAIKNILPALGNEFIVMLKESAIVSVIG---------FADLTRQAD----------------------------
General information:
TITO was launched using:
RESULT:
Template:
4YMT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108572 for 1029 contacts (-105.5/contact) +
2D Compatibility (PS) -14736 + (NN) -744 + (LL) 11660
1D Compatibility (HY) -10400 + (ID) 1950
Total energy: -124742.0 ( -121.23 by residue)
QMean score : 0.361
(partial model without unconserved sides chains):
PDB file :
Tito_4YMT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMT-query.scw
PDB file :
Tito_Scwrl_4YMT.pdb
: