Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRKEIIDDVTMKRAITRITYEIIERNKNLDNIVLAGIKTRGVFLAKRIQERLKQLENLDIPVGELDTKPFRDDMKVEVD-------TTTMPVDITDKDIILIDDVLYTGRTIRAAIDNLVSLGRPSRVSLAVLIDRGHRELPIRADYVGKNIPTSQFEEILVEVMEHDGYDRVSIIDPS
2IGB Chain:A ((1-176))
MQKAVVMDEQAIRRALTRIAHEIIERNKGIDGCVLVGIKTRGIYLARRLAERIEQIEGASVPVGELDITLYR-------DDHEPLVKGTNVPFPVTERNVILVDDVLFTGRTVRAAMDAVMDLGRPARIQLAVLVDRGHRELPIRADFVGKNVPTSRSELIVVELSEVDGIDQVSIHEK-
General information:
TITO was launched using:
RESULT:
Template:
2IGB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109538 for 1276 contacts (-85.8/contact) +
2D Compatibility (PS) -17443 + (NN) -2119 + (LL) 812
1D Compatibility (HY) -20000 + (ID) 4700
Total energy: -152988.0 ( -119.90 by residue)
QMean score : 0.673
(partial model without unconserved sides chains):
PDB file :
Tito_2IGB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IGB-query.scw
PDB file :
Tito_Scwrl_2IGB.pdb
: