Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--------MKKFLFKQK---FCESLPKSFSKTLLALSLGLILLGVFIPFPKVPKHQSVPLALHF-TEHYARFIPTILSVAIPLIQRDAVGLFQVANASIATTFLTHATKRALNHVTINDQR-----LGERPYGGNFNMPSGHSSMVGLAVAFLMRRYSVKKYLWLLPLIPLTMLARIYLDMHTIGAVLAGLGTGMLCVGLFTSPKNLN---------------
1D2T Chain:A ((7-230))
GNDTTTKPDLYYLKNSEAINSLALLPPPPAVGSIAFLNDQAMYEQGRLLRNTERGKLAAEDANLSSGGVANAFSGAFGSPITEKDAPALHKLLTNMIEDAGDLATRSAKDHYMRIRPFAFYGVSTCNTQDKLSKNGSYPSGHT-SIGWATALVLAEINPQRQNEILKRGYELGQSRVICGYHWQSDVDAARVVGSAVVATLHTNPAFQQQLQKAKAEFAQHQK
General information:
TITO was launched using:
RESULT:
Template:
1D2T.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -167157 for 1600 contacts (-104.5/contact) +
2D Compatibility (PS) -19291 + (NN) -3536 + (LL) -28
1D Compatibility (HY) 2400 + (ID) 1250
Total energy: -188862.0 ( -118.04 by residue)
QMean score : 0.397
(partial model without unconserved sides chains):
PDB file :
Tito_1D2T.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1D2T-query.scw
PDB file :
Tito_Scwrl_1D2T.pdb
: