Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIQLDQIGRMKQGKTILKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRWNNRFSMAMLE
4HZI Chain:B ((34-286))
-LLSLEKISYKPTGKTILDSVSFEIKTNEHCVLLGRNGAGKSTLVNLIYGMIWATSGTIRLFQETYGEI--AIQDLRKRIGILDSSQ-----RKLTVKDTILTGL--------DPSPEEETKTLQILKDSDLLSKKDQLYNTLSSGEKKKILFLRSIVNEPDFLIMDEPCSSLDLTAREDFLGFLKEYH-SKKKFTSLYITHRPEEIPDFYSKAVLLKEGKVIHFGPIEECFTEKNLEDLYDIPLQVQRIENTWSV----
General information:
TITO was launched using:
RESULT:
Template:
4HZI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -186616 for 1843 contacts (-101.3/contact) +
2D Compatibility (PS) -25635 + (NN) -10144 + (LL) 1884
1D Compatibility (HY) -21600 + (ID) 3950
Total energy: -246061.0 ( -133.51 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_4HZI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HZI-query.scw
PDB file :
Tito_Scwrl_4HZI.pdb
: