Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLEIKNLHVSIEDKEILKGLNLTLKTGEIAAIMGPNGTGKSTLSAAIMGNPNYEVTAGEILFDGEDILELEVDERARLGLFLAMQYPSEVPGITNAEFIRAAMNAGKADDDKISIRQFITK--LDEKMELLGMKEEMAERYLNEGFSGGEKKRNEILQLLMLEPKFALLDEIDSGLDIDALKVVSKGVNEMRGEGFGAMIITHYQRLLNYITPDKVHVMMDGKVVLSGGPELAVRLEKEGYAQIAEELGLEYKEEV
2D3W Chain:A ((1-244))
--MLSIKDLHVSVEDKAILRGLSLDVHPGEVHAIMGPNGSGKSTLSATLAGREDYEVTGGTVEFKGKDLLALSPEDRAGEGIFMAFQYPVEIPGVSNQFFLQTALNAVRSYRGQETLDRFDFQDLMEEKIALLKMPEDLLTRSVNVGFSGGEKKRNDILQMAVLEPELCILDESDSGLDIDALKVVADGVNSLRDGKRSFIIVTHYQRILDYIKPDYVHVLYQGRIVKSGDFTLVKQLEEQGYGWL------------
General information:
TITO was launched using:
RESULT:
Template:
2D3W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115481 for 1888 contacts (-61.2/contact) +
2D Compatibility (PS) -26204 + (NN) -11141 + (LL) 1372
1D Compatibility (HY) -25600 + (ID) 6250
Total energy: -183304.0 ( -97.09 by residue)
QMean score : 0.506
(partial model without unconserved sides chains):
PDB file :
Tito_2D3W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2D3W-query.scw
PDB file :
Tito_Scwrl_2D3W.pdb
: