Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKLLLLTLPLLSSLVHAAPGPAMTREGIVGGQEAHGNKWPWQVSLRANDTYWMHFCGGSLIHPQWVLTAAHCVGPDVADPNKVRVQLRKQYLYYHDHLMTVSQIITHPDFYIVQDGADIALLKLTNPVNISDYVHPVPLPPASETFPSGTLCWVTGWGNIDNGVNLPPPFPLKEVQVPIIENHLCDLKYHKGLITGDNVHIVRDDMLCAGNEGHDSCQGDSGGPLVCKVEDTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKDF
2FS9 Chain:C ((1-243))
----------------------------IVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEPVKVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKVPIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPK--
General information:
TITO was launched using:
RESULT:
Template:
2FS9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170698 for 2040 contacts (-83.7/contact) +
2D Compatibility (PS) -26661 + (NN) -17026 + (LL) 2276
1D Compatibility (HY) -30800 + (ID) 9350
Total energy: -252259.0 ( -123.66 by residue)
QMean score : 0.482
(partial model without unconserved sides chains):
PDB file :
Tito_2FS9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FS9-query.scw
PDB file :
Tito_Scwrl_2FS9.pdb
: