Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNYSEVELLSRAHQLFAGDSRRPGLDAGTTPYGDLLSRAADLNVGAGQRRYQLAVDHSRAALLSAARTDAAAGAVITGAQRDRAWARRSTGTVLDEARSDTTVTAVMPIAQREAIRRRVARLRAQRAHVL-TARRRARRHLAALRALRYRVAHGPGVALAKLRLPSPSGR--AGIAVHAALSRLGRPYVWG---ATGPNQ----------FDCSGLVQWAYAQAGVHLDRTTYQQINEGIPVPRSQVRPGDLVFPHPG---HVQLAIGNNLVVEAPHAGASVRVSSLGNNVQIRRPLSGR
3NE0 Chain:A ((1023-1195))
-----------------------------------------------------------------------------------------------------------------AVVNQVLGISATSAQVTANMGRKFLEQLGILQPTDTGITNAP-AGSAQGRIPRVYGRQASEYVIRRGMSQIGVPYSWGGGNAAGPSKGIDSGAGTVGFDCSGLVLYSFAGVGIKLPHYSGSQYNLGRKIPSSQMRRGDVIFYGPNGSQHVTIYLGNGQMLEAPDVGLKVRVAPV-------------
General information:
TITO was launched using:
RESULT:
Template:
3NE0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -57092 for 1082 contacts (-52.8/contact) +
2D Compatibility (PS) -16116 + (NN) -4858 + (LL) 7776
1D Compatibility (HY) -10400 + (ID) 2750
Total energy: -83440.0 ( -77.12 by residue)
QMean score : 0.416
(partial model without unconserved sides chains):
PDB file :
Tito_3NE0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NE0-query.scw
PDB file :
Tito_Scwrl_3NE0.pdb
: