Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQDYISYIRSKVGHETIFLTYSGGILTDGKGRVLLQLRADKNSWGIIGGCMELGESSVDTLKREFFEETGLRVEPIRLLNVYTNFQDSYPNGDKAQTVGFIYEVSCPKPVNIEGFHNEETLQLDYFSKEDVKNITIVN--EQHQLILDEYFSQTFQMGR
2PQV Chain:A ((12-147))
------------KVDNTVFGVRATALIVQ-NHKLLVTKD--KGKYYTIGGAIQVNESTEDAVVREVKEELGVKAQAGQLAFVVENRFEV--DGVSYHNIEFHYLVDLLEDAPLTMQEDEKRQPCEWIDLDKLQN--IQLVPVFLKTALPDWEGQLRHIHL
General information:
TITO was launched using:
RESULT:
Template:
2PQV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48510 for 950 contacts (-51.1/contact) +
2D Compatibility (PS) -13826 + (NN) -2190 + (LL) 1120
1D Compatibility (HY) -4000 + (ID) 1350
Total energy: -68756.0 ( -72.37 by residue)
QMean score : 0.455
(partial model without unconserved sides chains):
PDB file :
Tito_2PQV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PQV-query.scw
PDB file :
Tito_Scwrl_2PQV.pdb
: