Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQDYISYIRSKVGHETIFLTYSGGILTDG-KGRVLLQLRAD-KNSWGIIGGCMELGESSVDTLKREFFEETGLRVEPIRLLNVYT-------N---FQDSYPNGDKAQTVGFIYEVSCPKPVNIEGFHNEETLQLDYFSKEDVKNITIV-NEQHQLILDEYFSQTFQMGR
2O1C Chain:A ((7-148))
-----------------KRPVSILVVIYAQDTKRVLMLQRRDDPDFWQSVTGSVEEGETAPQAAMREVKEEVTIDVVAEQLTLIDCQRTVEFEIFSHLRHRYAP-GVTRNTESWFCLALPHE--RQI-VFTEHLAYKWLDAPAAAA--LTKSWSNRQAIEQFVIN------
General information:
TITO was launched using:
RESULT:
Template:
2O1C.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -52669 for 972 contacts (-54.2/contact) +
2D Compatibility (PS) -13762 + (NN) -3822 + (LL) 2004
1D Compatibility (HY) -2400 + (ID) 1000
Total energy: -71649.0 ( -73.71 by residue)
QMean score : 0.492
(partial model without unconserved sides chains):
PDB file :
Tito_2O1C.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2O1C-query.scw
PDB file :
Tito_Scwrl_2O1C.pdb
: