Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQDYISYIRSKVGHETIFLTYSGGILTDGKGRVLLQLRAD---KNSWGIIGGCMELGESSVDTLKREFFEETGLRVEPIRLLNVYTNFQDSYPNGDKAQTVGFIYEVSCPKPVNIEGFHNEETLQLDYFSKEDVKNITIVNEQHQLILDEYFSQTFQMGR
3CNG Chain:A ((37-164))
----------------QNPKVIVGCIPEW-ENKVLLCKRAIAPYRGKWTLPAGFMENNETLVQGAARETLEEANARVEIRELYAVYSLP--------HISQVYMLFRAKLLDL-DFFP--GIESLEVRLFGEQEIPWNDIAFRVIHDPLKRYMEERHHGQP
General information:
TITO was launched using:
RESULT:
Template:
3CNG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -50871 for 966 contacts (-52.7/contact) +
2D Compatibility (PS) -13776 + (NN) -5538 + (LL) 1020
1D Compatibility (HY) -5600 + (ID) 1500
Total energy: -76265.0 ( -78.95 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_3CNG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CNG-query.scw
PDB file :
Tito_Scwrl_3CNG.pdb
: