Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKLLLLTLPLLSSLVHAAPGPAMTREGIVGGQEAHGNKWPWQVSLRANDTYWMHFCGGSLIHPQWVLTAAHCVGPDVADPNKVRVQLRKQYLYYHDHLMTVSQIITHPDFYIVQDGADIALLKLTNPVNISDYVHPVPLPPASETFPSGTLCWVTGWGNIDNGVNLPPPFPLKEVQVPIIENHLCDLKYHKGLITGDNVHIVRDDMLCAGNEGHDSCQGDSGGPLVCKVEDTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKDF
2GDD Chain:C ((1-243))
----------------------------IVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEPVKVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKVPIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPK--
General information:
TITO was launched using:
RESULT:
Template:
2GDD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -166035 for 2043 contacts (-81.3/contact) +
2D Compatibility (PS) -26512 + (NN) -15642 + (LL) 2276
1D Compatibility (HY) -30800 + (ID) 9350
Total energy: -246063.0 ( -120.44 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_2GDD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GDD-query.scw
PDB file :
Tito_Scwrl_2GDD.pdb
: