Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLMQVQNLSKCYRNGD-GVEHLSFSIQRGEIVALLGPNGAGKTTTIRCLTGLYKPDKGDILIEGSP-----PGDINVQKKVALIPDQP--YLYPALTAAEHIQFRARGYHPGKKDVKERVYHALKEVHLEEKANQLCGQLSRGQKQRVVLAGAIVQDALLYILDEPTVGLD-IPSKQWLSNWLKTKTDQGCSAFVSTHSLEFVIETADRVILIRDGK-LMQDLYVPQFEEQAEWRKEVIRLLGEWSDE
3GFO Chain:A ((7-245))
--ILKVEELNYNYSDGTHALKGINMNIKRGEVTAILGGNGVGKSTLFQNFNGILKPSSGRILFDNKPIDYSRKGIMKLRESIGIVFQDPDNQLFSA-SVYQDVSFGAVNMKLPEDEIRKRVDNALKRTGIEHLKDKPTHCLSFGQKKRVAIAGVLVMEPKVLILDEPTAGLDPMGVSEIMKLLVEMQKELGITIIIATHDIDIVPLYCDNVFVMKEGRVILQGNPKEVFAEKEVIRKVNLRL-------
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) -119643 for 1764 contacts (-67.8/contact) +
2D Compatibility (PS) -24596 + (NN) -7755 + (LL) 768
1D Compatibility (HY) -19200 + (ID) 3400
Total energy: -173826.0 ( -98.54 by residue)
QMean score : 0.462
(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
: