Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRAVVELLAGARRLVIFTGAGVSAESGIPTFRDALGGLWARYDPAALATPAAFADDPALVWGWYEWRRLKVLGVQPNPAHRAIAALSGRIAN----TRLVTQNVDDLHERAGSRDVLHLHGSLHAPRCATC---AAAYRD----ALPDSVEPEEGRR-----IEP-PRCP--ACGGQVRPGVVWFGEALPEAALREAFAAACECDLLLSVGTSGVVQPAARIPGLALEHGASVVHVNPQPVRTRHPREHCLVGPAGEVLPELLRRAFPG
4HDA Chain:A ((18-274))
-----KFFAKAKHIVIISGAGVSAESGVPTFRGA-GGYWRKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPATNRFRFHFQGPCGTTLPEAL------
General information:
TITO was launched using:
RESULT:
Template:
4HDA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123612 for 1890 contacts (-65.4/contact) +
2D Compatibility (PS) -25561 + (NN) -12692 + (LL) 1176
1D Compatibility (HY) -17200 + (ID) 5350
Total energy: -183239.0 ( -96.95 by residue)
QMean score : 0.472
(partial model without unconserved sides chains):
PDB file :
Tito_4HDA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HDA-query.scw
PDB file :
Tito_Scwrl_4HDA.pdb
: