Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLITAIVKPFTLDDVKTSLEDAGVLGMTVSEIQGYGRQKGHTEVYRGAEYSVDFVPKVRIEVVVDDSIVDKVVDSIVRAARTGKIGDGKVWVSPVDTIVRVRTGERGHDAL
3NCQ Chain:A ((1-111))
MKKIEAIVRAEKFPEVKAALEERGFYGMTVTDVKGRGQQGGMQIQFRGRTMEVTLLPKVKLEIVVKDDAVEEVIGLIVNSAFTGSPGDGKIFIIPVEDVVRIRTGERGDDS-
General information:
TITO was launched using:
RESULT:
Template:
3NCQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55727 for 700 contacts (-79.6/contact) +
2D Compatibility (PS) -12044 + (NN) -2133 + (LL) 176
1D Compatibility (HY) -11200 + (ID) 2550
Total energy: -83478.0 ( -119.25 by residue)
QMean score : 0.551
(partial model without unconserved sides chains):
PDB file :
Tito_3NCQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NCQ-query.scw
PDB file :
Tito_Scwrl_3NCQ.pdb
: