Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEDNFDDEFDGSLPSGPRHPMARRFRGYLPVVVDVETGGFNSATDALLEIAATTVGMDEKGFLFPEHTYFFRIEPFEGANIEPAALEFTGIKLDHPLRMAVQEEAALTEIFRGIRKALKANGCKRAILVGHNSSFDLGFLNAAVARTGIKRNPFHPFSSFDTATLAGLAYGQTVLAKACQAAGMEFDNREAHSARYDTEKTAELFCGIVNRWKEMGGWMDDDD
3NH2 Chain:A ((30-227))
---------------------LCDRFRGFYPVVIDVETAGFNAKTDALLEIAAITLKMDEQGWLMPDTTLHFHVEPFVGANLQPEALAFNGIDPNDPDRGAVSEYEALHEIFKVVRKGIKASGCNRAIMVAHNANFDHSFMMAAAERASLKRNPFHPFATFDTAALAGLALGQTVLSKACQTAGMDFDS-----ALYDTERTAVLFCEIVNRWKRLGGW-----
General information:
TITO was launched using:
RESULT:
Template:
3NH2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101861 for 1562 contacts (-65.2/contact) +
2D Compatibility (PS) -21289 + (NN) -12299 + (LL) 36
1D Compatibility (HY) -21200 + (ID) 6100
Total energy: -162713.0 ( -104.17 by residue)
QMean score : 0.590
(partial model without unconserved sides chains):
PDB file :
Tito_3NH2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NH2-query.scw
PDB file :
Tito_Scwrl_3NH2.pdb
: