Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAFHTHSGIGVPLRRSNVDTDQIIPAVFLKRVTRTGFEDGLFAGWRS-------DPAFVLNLSPFDRGSVLVAGPDFGTGSSREHAVWALMDYGFRVVISSRFGDIFRGNAGKAGLLAAEVAQDDVELLWKLIEQSPGLEITANLQDRIITAATVVLPFKIDDHSAWRLLEGLDDIALTLRKLDEIEAFEGACAYWKPRTLPAP
2HCU Chain:A ((18-189))
MEEFTIYTGTTVPLMNDNIDTDQILPKQFLKLIDKKGFGKYLMYEWRYLDNNYTENPDFIFNQPEYREASILITGDNFGAGSSREHAAWALADYGFKVIVAGSFGDIHYNNDLNNGILPIIQPKEVRDKLA-KLK--PTDEVTVNLFEQKIYSPVGDFSFDIDGEWKHKLLNGLD------------------------------
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) -146619 for 1315 contacts (-111.5/contact) +
2D Compatibility (PS) -17944 + (NN) -9443 + (LL) 2424
1D Compatibility (HY) -11200 + (ID) 3350
Total energy: -186132.0 ( -141.55 by residue)
QMean score : 0.478
(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
: