Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHHWGYGKHNGPEHWHKDFPIANGERQSPVDIDTKAVVQDPALKPLALV-Y--GEATSRRMVNNGHSFNVEYDDSQDKAVLKDGPLTGTYRLVQFHFHWGSSDDQGSEHTVDRKKYAAELHLVHWNTKYGDFGTAAQQPDGLAVVGVFLKVGD-ANPALQKVLDALDSIKTKGKSTDFPNFDPGSLLPNVL-DYWTYPGSLTTPPLLESVTWIVLKEPISVSSQQMLKFRTLNFNAEGEPELLMLANWRPAQPLKNRQVRGFPK
3IAI Chain:A ((5-257))
--SHWRYG---GDPPWPRVSPACAGRFQSPVDIRPQLAAFSPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPG---LEMALGP-GREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGD---SRLQLNFRATQPLNGRVIEASFP
General information:
TITO was launched using:
RESULT:
Template:
3IAI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114771 for 1981 contacts (-57.9/contact) +
2D Compatibility (PS) -26695 + (NN) -14914 + (LL) 560
1D Compatibility (HY) -17200 + (ID) 4400
Total energy: -177420.0 ( -89.56 by residue)
QMean score : 0.446
(partial model without unconserved sides chains):
PDB file :
Tito_3IAI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IAI-query.scw
PDB file :
Tito_Scwrl_3IAI.pdb
: