Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDDLNKKYLIDLHQHQNSSIEVLREFAEGNEVPIVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFA-SISDDIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENVNDKV-YDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVR--SRNVRQMVKKVQDYNEWLIKQPGYTTNFLNIDDGLAISIKGE
4PCL Chain:A ((55-224))
-----------------------------------------MLQLLIRMAGIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCKLEDKITVLHGEALAQLNTLKEMAPFDMIFIDANKSSYLAYLNWAKMYIRKGGLIVADNTFLFGSVFDEHPTEKVSSNAHA---SMRAFNDELANKEKYLSTIIPTSEGMMVSIK--
General information:
TITO was launched using:
RESULT:
Template:
4PCL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107101 for 1336 contacts (-80.2/contact) +
2D Compatibility (PS) -18163 + (NN) -5184 + (LL) 3352
1D Compatibility (HY) -14800 + (ID) 2350
Total energy: -144246.0 ( -107.97 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_4PCL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PCL-query.scw
PDB file :
Tito_Scwrl_4PCL.pdb
: