Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNRVLYPGTFDPITKGHGDLIERASRLFDHVIIAVAASPKKNPLFSLEQRVALAQEVTKHLPNVEVVGFSTLLAHFVKEQKANVFLRGLRAVSDFEYEFQLANMNRQLAPDVESMFLTPSEKYSFISSTLVREIAALGGDISKFVHPAVADALAERFKR
3PNB Chain:C ((21-177))
MTGAVCPGSFDPVTLGHVDIFERAAAQFDEVVVAILVNPAKTGMFDLDERIAMVKESTTHLPNLRVQVGHGLVVDFVRSCGMTAIVKGLRTGTDFEYELQMAQMNKHIA-GVDTFFVATAPRYSFVSSSLAKEVAMLGGDVSELLPEPVNRRLRDRLN-
General information:
TITO was launched using:
RESULT:
Template:
3PNB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115084 for 1215 contacts (-94.7/contact) +
2D Compatibility (PS) -17589 + (NN) -11488 + (LL) -40
1D Compatibility (HY) -16400 + (ID) 3200
Total energy: -163801.0 ( -134.82 by residue)
QMean score : 0.570
(partial model without unconserved sides chains):
PDB file :
Tito_3PNB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PNB-query.scw
PDB file :
Tito_Scwrl_3PNB.pdb
: