Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRALLLSGCLALVLLTQQAAAQTLLVVGDSISAALGLDTSQGWVALLQKRLADEGYDYRVVNASISGDTSAGGLARLPALLAEEKPALVVIELGGNDGLRGMAPAQLQQNLASMAQKARAEGAKVLLLGIQLPPNYGPRYIEAFSRVYGAVAAQEKTALVPFFLEGVGGVQGMMQADGIHPALAAQPRLLENVWPTLKPLL
3HP4 Chain:A ((3-182))
---------------------NTILILGD-LSAAYGLQQEEGWVKLLQDKYDAEQSDIVLINASISGETSGGALRRLDALLEQYEPTHVLIELGANDGLRGFPVKKMQTNLTALVKKSQAANAMTALMEIYIPPNYGPRYSKMFTSSFTQISEDTNAHLMNFFMLDIAGKSDLMQNDSLHPNKKAQPLIRDEMYDSIKKWL
General information:
TITO was launched using:
RESULT:
Template:
3HP4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114492 for 1472 contacts (-77.8/contact) +
2D Compatibility (PS) -19684 + (NN) -9292 + (LL) 2572
1D Compatibility (HY) -17600 + (ID) 3750
Total energy: -162246.0 ( -110.22 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_3HP4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HP4-query.scw
PDB file :
Tito_Scwrl_3HP4.pdb
: