Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------------MDDLNKKYLIDLHQHQNSSIEVLREFAEGNEVPIVDRLTLDLIKQLIRMNNVKNILEIGTAIGYSSMQFAS-ISDDIHVTTIERNETMIQYAKQNLATYHFENQVRIIEGNALEQFENVNDKV-YDMIFIDAAKAQSKKFFEIYTPLLKHQGLVITDNVLYHGFVSDIGIVRSRNVRQMVKKVQDYNEWLIKQPGYTTNFLNIDDGLAISIKGE
4PCA Chain:A ((6-226))
HHHMRNVSLSKQDEYLNKLFAVD----TEGALKAHKTAPSELRMAQLGTVEGQMLQLLIRMAGIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCKLEDKITVLHGEALAQLNTLKEMAPFDMIFIDANKSSYLAYLNWAKMYIRKGGLIVADNTFLFGSVFDEHPTEKVS-SNAHASMRAFNDELANKEKYLSTIIPTSEGMMVSIKLT
General information:
TITO was launched using:
RESULT:
Template:
4PCA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121846 for 1741 contacts (-70.0/contact) +
2D Compatibility (PS) -22534 + (NN) -8132 + (LL) 576
1D Compatibility (HY) -14400 + (ID) 2450
Total energy: -168786.0 ( -96.95 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_4PCA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PCA-query.scw
PDB file :
Tito_Scwrl_4PCA.pdb
: