Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDYQETLYQGYGQRFS--IDNMLHEVRTEHQHLVIFENARMGRVMALDGVIQTTEADEFIYHEMLTHVPILAHGAARRVLIIGGGDGGMLREVAKHKSVERITMVEIDGTVVDMCKEFLPNHSQGAFDDPRLNLVIDDGMRFVATTEERFDVIISDSTDPIGPGEVLFSENFYQACRRCLNEGGILVTQNGTPFMQLEEVRTTAARTDGLFADWHFYQAAVPTYIGGAM-TFAWGSTHEGLRRLPLETLRQRFRDSGIATRYYNADIHLGAFALPQYVLQAIGKQDND
2PT6 Chain:A ((53-318))
------------GQAFSLKIKKILYETKSKYQNVLVFESTTYGKVLVLDGVIQLTEKDEFAYHEMMTHVPMTVSKEPKNVLVVGGGDGGIIRELCKYKSVENIDICEIDETVIEVSKIYFKNISCG-YEDKRVNVFIEDASKFLENVTNTYDVIIVDSSDPIGPAETLFNQNFYEKIYNALKPNGYCVAQCESLWIHVGTIKNMIGYAKKLFKKVEYANISIPTYPCGCIGILCCSKTDTGLTKPNKKLESKEFAD----LKYYNYENHSAAFKLPAFLLKEIENI---
General information:
TITO was launched using:
RESULT:
Template:
2PT6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -165031 for 2237 contacts (-73.8/contact) +
2D Compatibility (PS) -28202 + (NN) -11282 + (LL) 1084
1D Compatibility (HY) -26800 + (ID) 5200
Total energy: -235431.0 ( -105.24 by residue)
QMean score : 0.465
(partial model without unconserved sides chains):
PDB file :
Tito_2PT6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PT6-query.scw
PDB file :
Tito_Scwrl_2PT6.pdb
: