Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAFHTHSGIGVPLRRSNVDTDQIIPAVFLKRVTRTGFEDGLFAGWR-------SDPAFVLNLSPFDRGSVLVAGPDFGTGSSREHAVWALMDYGFRVVISSRFGDIFRGNAGKAGLLAAEVAQDDVELLWKLIEQSPGLEITANLQDRIITAATVVLPFKIDDHSAWRLLEGLDDIALTLRKLDEIEAFEGACAYWKPRTLPAP
2HCU Chain:A ((18-189))
MEEFTIYTGTTVPLMNDNIDTDQILPKQFLKLIDKKGFGKYLMYEWRYLDNNYTENPDFIFNQPEYREASILITGDNFGAGSSREHAAWALADYGFKVIVAGSFGDIHYNNDLNNGILPIIQPK---EVRDKLAKLKPTDEVTVNLFEQKIYSPVGDFSFDIDGEWKHKLLNGLD------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2HCU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144422 for 1310 contacts (-110.2/contact) +
2D Compatibility (PS) -18094 + (NN) -10904 + (LL) 2308
1D Compatibility (HY) -11600 + (ID) 3450
Total energy: -186162.0 ( -142.11 by residue)
QMean score : 0.491
(partial model without unconserved sides chains):
PDB file :
Tito_2HCU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HCU-query.scw
PDB file :
Tito_Scwrl_2HCU.pdb
: