Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQDYISYIRSKVGHETIFLTYSGGILTDGKGRVLLQLRADKNSWGIIGGCMELGESSVDTLKREFFEETGLRVEPIRLLNVYTNFQDSYPNGDKAQTVGFIYEVSCPKPVNIEGFHNEETLQLDYFSKEDVKNITIV-NEQHQLILDEYFSQTFQMGR
3O8S Chain:A ((68-197))
-----------------TPKLDTRAAIFQ-EDKILLVQEN-DGLWSLPGGWCDVDQSVKDNVVKEVKEEAGLDVEAQRVVAILDKHKNNP------RVTKVFILCRLLGG-EFQP--NSETVASGFFSLDDLPP--LYLGKNTAEQLALCLEASRSEHW
General information:
TITO was launched using:
RESULT:
Template:
3O8S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -37892 for 945 contacts (-40.1/contact) +
2D Compatibility (PS) -13125 + (NN) -2351 + (LL) 1352
1D Compatibility (HY) -6000 + (ID) 1100
Total energy: -59116.0 ( -62.56 by residue)
QMean score : 0.543
(partial model without unconserved sides chains):
PDB file :
Tito_3O8S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3O8S-query.scw
PDB file :
Tito_Scwrl_3O8S.pdb
: