Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEDNFDDEFDGSLPSGPRHPMARRFRGYLPVVVDVETGGFNSATDALLEIAATTVGMDEKGFLFPEHTYFFRIEPFEGANIEPAALEFTGIKLDHPLRMAVQEEAALTEIFRGIRKALKANGCKRAILVGHNSSFDLGFLNAAVARTGIKRNPFHPFSSFDTATLAGLAYGQTVLAKACQAAGMEFDNREAHSARYDTEKTAELFCGIVNRWKEMGGWMDDDD
3NGY Chain:A ((30-227))
---------------------LCDRFRGFYPVVIDVETAGFNAKTDALLEIAAITLKMDEQGWLMPDTTLHFHVEPFVGANLQPEALAFNGIDPNDPDRGAVSGYEALHEIFKVVRKGIKASGCNRAIMVAHNANFDHSFMMAAAERASLKRNPFHPFATFDTAALAGLALGQTVLSKACQTAGMDFDSTQAHSALYDTERTAVLFCEIVNRWKRLGGW-----
General information:
TITO was launched using:
RESULT:
Template:
3NGY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105959 for 1603 contacts (-66.1/contact) +
2D Compatibility (PS) -21670 + (NN) -11765 + (LL) -328
1D Compatibility (HY) -21200 + (ID) 6200
Total energy: -167122.0 ( -104.26 by residue)
QMean score : 0.597
(partial model without unconserved sides chains):
PDB file :
Tito_3NGY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NGY-query.scw
PDB file :
Tito_Scwrl_3NGY.pdb
: