Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNRVLYPGTFDPITKGHGDLIERASRLFDHVIIAVAASPKKNPLFSLEQRVALAQEVTKHLPNVEVVGFSTLLAHFVKEQKANVFLRGLRAVSDFEYEFQLANMNRQLAPDVESMFLTPSEKYSFISSTLVREIAALGGDISKFVHPAVADALAERFKR
3NBK Chain:A ((21-176))
MTGAVCPGSFDPVTLGHVDIFERAAAQFDEVVVAILVNPAKTGMFDLDERIAMVKESTTHLPNLRVQVGHGLVVDFVRSCGMTAIVKGLRTGTDFEYELQMAQMNKHIA-GVDTFFVATAPRYSFVSSSLAKEVAMLGGDVSELLPEPVNRRLRDRLN-
General information:
TITO was launched using:
RESULT:
Template:
3NBK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117329 for 1231 contacts (-95.3/contact) +
2D Compatibility (PS) -17321 + (NN) -10026 + (LL) -76
1D Compatibility (HY) -16400 + (ID) 3200
Total energy: -164352.0 ( -133.51 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_3NBK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NBK-query.scw
PDB file :
Tito_Scwrl_3NBK.pdb
: