Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLEKIQSDVEDIWKNRSKLSNRSVKRAARVIIKKVIKLLDSGKIRVAERLSDGKWIVHTWIKQAISLYFLTEESKMIDHT-GWWFDKVNNKFDGWNEEEFHQSKIRAVPGCFVRQSAYVGTNVVLMPSFINVGAYISSGTMIDTWSTIGSCAQIGKNCHVSGGVGIGGVLEPIQASPVIIEDNCFIGARSEVAEGVIIREGSVLGMGVFIGASTKIIDRETNKVFYGEVPPYSVVVPGSTLSAN-NISIYCAIIVKKVDEKTRQKTSINEILRD
3BXY Chain:A ((2-271))
---QQLQNIIETAFERRAEITPANADTVTREAVNQVIALLDSGALRVAEKI-DGQWVTHQWLKKAVLLSFRINDNQVIEGAESRYFDKVPMKFADYDEARFQKEGFRVVPPAAVRQGAFIARNTVLMPSYVNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFIGARSEVVEGVIVEEGSVISMGVYIGQSTRIYDRETGDIHYGRVPAGSVVVSGNLPSKDGKYSLYCAVIVKKVDAKTR---GINELLRT
General information:
TITO was launched using:
RESULT:
Template:
3BXY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -242243 for 2107 contacts (-115.0/contact) +
2D Compatibility (PS) -29025 + (NN) -11616 + (LL) 712
1D Compatibility (HY) -28800 + (ID) 7200
Total energy: -318172.0 ( -151.01 by residue)
QMean score : 0.645
(partial model without unconserved sides chains):
PDB file :
Tito_3BXY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BXY-query.scw
PDB file :
Tito_Scwrl_3BXY.pdb
: