Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLQENKTAIFDNVSKLALKAGRA-------PESVHIVAVTKYVNCQTTEALIRTGVNHIGENRVDKFLEKYQALK--------------DEKLTWHLIGSLQRRKVKDVINYVDYFHALDSVKLAAEIQKR---AQKPVKCFLQVNISREDSKHGFTIEQIDDALNLISRYDKIELIGIMTMAPLKATKEEISSIFEETESLRKRLQARN-IERMPFTELSMGMSRDYDIAIQNGSTFVRIGTSFFK
3CPG Chain:A ((19-268))
---DARAREITDGVHRVLDRIAAAEEQAGREAGSVRLLAATKTRDIGEIMAAIDAGVRMIGENRPQEVTAKAEGLARRCAERGFSLGVAAAEHIPFHLIGQLQSNKIGKVLPVVDTIESVDSIDLAEKISRRAVARGITVGVLLEVNESGEESKSGCDPAHAIRIAQKIGTLDGIELQGLMTIGAHVHDETVIRRGFSHLRKTRDLILASGEPGTDRCRELSMGMTGDMELAIAEGSTIVRVGTAIF-
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) -145900 for 1809 contacts (-80.7/contact) +
2D Compatibility (PS) -23502 + (NN) -4673 + (LL) 368
1D Compatibility (HY) -13600 + (ID) 3750
Total energy: -191057.0 ( -105.61 by residue)
QMean score : 0.506
(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
: