Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDILKAEHLNKQIKKTKIVSDVSLEVKSGEVVGLLGPNGAGKTTTFYMICGLLEPSGGSVYLNDVDLAKYPLHKRSNLGIGYLPQESSIFKELSVEENLALAGESTFKNSKESEEKMESLLDAFNIQAIRERKGMSLSGGERRRVEIARALMKNPKFVLLDEPFAGVDPIAVIDIQRIIESLIG-LNIGVLITDHNVRETLSVCHRAYVIKSGTLLASGNANEIYENALVRKYYLGENFKV
1V43 Chain:A ((13-231))
---VKLENLTKRFGNFTAVNKLNLTIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTEGRIYFGDRDVTYLPPKDRN---ISMVFQ------HMTVYENIAFPL--KKFPKDEIDKRVRWAAELLQIEELLNRYPAQLSGGQRQRVAVARAIVVEPDVLLMDEPLSNLDAKLRVAMRAEIKKLQQKLKVTTIYVTHDQVEAMTMGDRIAVMNRGQLLQIGSPTEVYLRPNSVFVATFIGAPE
General information:
TITO was launched using:
RESULT:
Template:
1V43.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140612 for 1690 contacts (-83.2/contact) +
2D Compatibility (PS) -22420 + (NN) -3920 + (LL) 784
1D Compatibility (HY) -16000 + (ID) 3450
Total energy: -185618.0 ( -109.83 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_1V43.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1V43-query.scw
PDB file :
Tito_Scwrl_1V43.pdb
: