Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEDNFDDEFDGSLPSGPRHPMARRFRGYLPVVVDVETGGFNSATDALLEIAATTVGMDEKGFLFPEHTYFFRIEPFEGANIEPAALEFTGIKLDHPLRMAVQEEAALTEIFRGIRKALKANGCKRAILVGHNSSFDLGFLNAAVARTGIKRNPFHPFSSFDTATLAGLAYGQTVLAKACQAAGMEFDNREAHSARYDTEKTAELFCGIVNRWKEMGGWMDDDD
3VA3 Chain:B ((30-227))
---------------------LCDRFRGFYPVVIDVETAGFNAKTDALLEIAAITLKMDEQGWLMPDTTLHFHVEPFVGANLQPEALAFNGIDPNDPDRGAVSGYEALHEIFKVVRKGIKASGCNRAIMVAHNANFDHSFMMAAAERASLKRNPFHPFATFDTAALAGLALGQTVLSKACQTAGMDFDSTQAHSALYDTERTAVLFCEIVNRWKRLGGW-----
General information:
TITO was launched using:
RESULT:
Template:
3VA3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101255 for 1623 contacts (-62.4/contact) +
2D Compatibility (PS) -21693 + (NN) -9850 + (LL) -328
1D Compatibility (HY) -21200 + (ID) 6200
Total energy: -160526.0 ( -98.91 by residue)
QMean score : 0.565
(partial model without unconserved sides chains):
PDB file :
Tito_3VA3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VA3-query.scw
PDB file :
Tito_Scwrl_3VA3.pdb
: