Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRVNKTVLVLVALVALVLGLTVHKVLTAQRQADPTVLLDAGIVILPQTRKVPALEFTNQDGQAVSTASLKGRWHLLFFGYTFCPDV-CPTTLAQLRELQGKLPQE-VRDDLQVVFVSVDPNRDTPQQIKQYLGYFNAGFQGLTGTPENIQKLANAMSIPYIPADT-SKPNYTVDHSGNLVIIGPDGEQHGFIRAPLNNAKLEAQLPGVLKPQA
2GGT Chain:A ((2-162))
--------------------------------------------------LGGPFSLTTHTGERKTDKDYLGQWLLIYFGFTHCP-DVCPEELEKMIQVVDEIDSITTLPDLTPLFISIDPERDTKEAIANYVKEFSPKLVGLTGTREEVDQVARAYRVYYSPGPKDEDEDYIVDHTIIMYLIGPDGEFLDYFGQNKRKGEIAASIATHMRPYR
General information:
TITO was launched using:
RESULT:
Template:
2GGT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87262 for 1226 contacts (-71.2/contact) +
2D Compatibility (PS) -17391 + (NN) -11019 + (LL) 5228
1D Compatibility (HY) -12800 + (ID) 2350
Total energy: -125594.0 ( -102.44 by residue)
QMean score : 0.622
(partial model without unconserved sides chains):
PDB file :
Tito_2GGT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GGT-query.scw
PDB file :
Tito_Scwrl_2GGT.pdb
: