Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIQLDQIGRMKQGKTILKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAETV---RQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDI----------DDEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRWNNRFSMAMLE
3GFO Chain:A ((20-239))
-------------GTHALKGINMNIKRGEVTAILGGNGVGKSTLFQNFNGILKPSSGRI-LFDNKP--IDYSRKGIMKLRESIGIV-------FQDPD--------NQLFSASVYQDVSFGAVNMKLPEDEIRKRVDNALKRTGIEHLKDKPTHCLSFGQKKRVAIAGVLVMEPKVLILDEPTAGLDPMGVSEIMKLLVEMQKEL-GITIIIATHDIDIVPLYCDNVFVMKEGRVILQGNPKEVFAEKEVIR---------------------
General information:
TITO was launched using:
RESULT:
Template:
3GFO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140407 for 1553 contacts (-90.4/contact) +
2D Compatibility (PS) -22651 + (NN) -11674 + (LL) 4768
1D Compatibility (HY) -16800 + (ID) 3450
Total energy: -190214.0 ( -122.48 by residue)
QMean score : 0.480
(partial model without unconserved sides chains):
PDB file :
Tito_3GFO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GFO-query.scw
PDB file :
Tito_Scwrl_3GFO.pdb
: