Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS
4UNS Chain:B ((1-209))
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELA---------------------DAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAP-----
General information:
TITO was launched using:
RESULT:
Template:
4UNS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128152 for 1556 contacts (-82.4/contact) +
2D Compatibility (PS) -21241 + (NN) -15035 + (LL) 300
1D Compatibility (HY) -24000 + (ID) 9400
Total energy: -197528.0 ( -126.95 by residue)
QMean score : 0.886
(partial model without unconserved sides chains):
PDB file :
Tito_4UNS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4UNS-query.scw
PDB file :
Tito_Scwrl_4UNS.pdb
: