Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNEPIILRYFPVLGRAQALRHALADAELAFRDLRIPLEQWSQHKDSDAGGPYGSLPTLRWHGVEVAETIAIASFLARSLGHYEGRDNGEIARLEAVVSLCYTEVSLQIAQLLWLDLFNPGVDLAAAVPLQFGRLVARLTRLEAHTPEAGWFGGERPVMADYFAAEAIEALRYLLGREHDDALRTRLPHLCALARRMAQRPALAQAWSTRPQTFTAHPDEAAMLERLRALPLAATIGASME
3IE3 Chain:A ((2-189))
---PYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETW-QEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLY-GKDQQEAALVD-MVNDGVEDLRCKYASLIYTNYEAGKDDYVKALP---GQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLL-LIHEVLAPGCLDA----FPLLSAYVGRLSARPKL--------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3IE3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104601 for 1411 contacts (-74.1/contact) +
2D Compatibility (PS) -21299 + (NN) -18275 + (LL) 4700
1D Compatibility (HY) -11600 + (ID) 2750
Total energy: -153825.0 ( -109.02 by residue)
QMean score : 0.368
(partial model without unconserved sides chains):
PDB file :
Tito_3IE3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IE3-query.scw
PDB file :
Tito_Scwrl_3IE3.pdb
: