Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLQENKTAIFDNVSKLALKAGRAPESVHIVAVTKYVNCQTTEALIRTGVNHIGENRVDKFLEKYQALK--------------DEKLTWHLIGSLQRRKVKDVINYVDYFHALDSVKLAAEIQKRAQK---PVKCFLQVNISREDSKHGFTIEQIDDALNLISRYDKIELIGIMTMAPLKATKEEISSIFEETESLRKRLQARNIERMPFT----ELSMGMSRDYDIAIQNGSTFVRIGTSFFK
3CPG Chain:A ((32-268))
---------VLDRIAAAEEQAGREAGSVRLLAATKTRDIGEIMAAIDAGVRMIGENRPQEVTAKAEGLARRCAERGFSLGVAAAEHIPFHLIGQLQSNKIGKVLPVVDTIESVDSIDLAEKISRRAVARGITVGVLLEVNESGEESKSGCDPAHAIRIAQKIGTLDGIELQGLMTIGAHVHDETVIRRGFSHLRKTRDLILASG---EPGTDRCRELSMGMTGDMELAIAEGSTIVRVGTAIF-
General information:
TITO was launched using:
RESULT:
Template:
3CPG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151209 for 1727 contacts (-87.6/contact) +
2D Compatibility (PS) -22665 + (NN) -5532 + (LL) 1180
1D Compatibility (HY) -13200 + (ID) 3900
Total energy: -195326.0 ( -113.10 by residue)
QMean score : 0.541
(partial model without unconserved sides chains):
PDB file :
Tito_3CPG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CPG-query.scw
PDB file :
Tito_Scwrl_3CPG.pdb
: